| 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 | 25.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 114.4 Ų | 114.4 | 86% | 0.857 | 65% | 0.646 | S | S | * | * | 0 | 67.5 | 0 | -67.9 | -177.9 | 176.7 | 0 | 0 | 110.8 | Y743 | M1-Y743 HydrophobicContact CE-CD1 3.71Å; M1-Y743 HydrophobicContact CE-CD2 4.14Å; M1-Y743 HydrophobicContact CE-CE1 4.11Å; M1-Y743 HydrophobicContact CE-CG 3.71Å; M1-Y743 HydrophobicContact SD-CD2 4.35Å; M1-Y743 HydrophobicContact SD-CG 4.17Å | |||
| 2 | S | 19.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -112.1 | 133 | 170 | 57.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | T | 22.4 | Very low | 36.7 | Very low | 125 Ų | 125 | 108.2 Ų | 108.2 | 77% | 0.767 | 61% | 0.605 | S | S | * | * | trans | 61.1 | 71.4 | 167.8 | 62.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 4 | T | 24.2 | Very low | 40.4 | Very low | 118 Ų | 118 | 102.2 Ų | 102.2 | 72% | 0.724 | 57% | 0.572 | S | S | * | * | trans | -111.9 | 76 | 148.2 | 47.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | S | 24.7 | Very low | 43.9 | Very low | 74 Ų | 74 | 96.3 Ų | 96.3 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | trans | -127.5 | 72.4 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 6 | E | 25 | Very low | 46.9 | Very low | 192 Ų | 192 | 90.6 Ų | 90.6 | 90% | 0.897 | 51% | 0.506 | S | S | * | . | trans | -179.1 | 66.7 | 165.1 | -103.2 | 170.4 | -150.8 | 0 | 0 | 106.2 | ||||
| 7 | I | 28.5 | Very low | 49.7 | Very low | 110 Ų | 110 | 85.5 Ų | 85.5 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | trans | -97.3 | 94.7 | 161.2 | -59.5 | 177.4 | 0 | 0 | 0 | 104.5 | V9 | I7-V9 PolarHBondContact O-N 3.47Š| ||
| 8 | D | 27.3 | Very low | 52.1 | Low | 164 Ų | 164 | 83 Ų | 83 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | trans | -53.7 | 120.6 | 168.8 | -113.4 | -23.5 | 0 | 0 | 0 | 108.3 | D10 | D8-D10 PolarHBondContact O-N 2.98Š| ||
| 9 | V | 32.3 | Very low | 54.3 | Low | 101 Ų | 101 | 78.6 Ų | 78.6 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | trans | -73.1 | 99.5 | -173.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | I7 | I7-V9 PolarHBondContact O-N 3.47Š| ||
| 10 | D | 46.2 | Very low | 56.3 | Low | 56 Ų | 56 | 76.4 Ų | 76.4 | 30% | 0.299 | 43% | 0.426 | S | S | . | . | trans | 55.3 | 131.7 | 135 | -119.2 | -28.1 | 0 | 0 | 0 | 120.8 | D8 Y13 | D8-D10 PolarHBondContact O-N 2.98Å; D10-Y13 HydrophobicContact CB-CE2 4.27Å; D10-Y13 WeakPolarHBondContact OD1-CE2 3.09Å; D10-Y13 PolarHBondContact OD1-OH 2.95Å | ||
| 11 | P | 51.2 | Low | 58 | Low | 40 Ų | 40 | 77.2 Ų | 77.2 | 26% | 0.26 | 42% | 0.423 | S | S | . | . | trans | -49.2 | 136.8 | 166.9 | 20.2 | -37.4 | 0 | 0 | 0 | 113.5 | Y13 Q917 | P11-Y13 HydrophobicContact CG-CE2 4.49Å; P11-Y13 WeakPolarHBondContact O-CD2 3.48Å; P11-Y13 WeakPolarHBondContact O-CE2 3.06Å; P11-Y13 PolarHBondContact O-N 3.13Å; P11-Q917 HydrophobicContact CB-CG 4.31Å; P11-Q917 HydrophobicContact CG-CB 4.26Å | ||
| 12 | N | 65.6 | Low | 61.1 | Low | 124 Ų | 124 | 71.7 Ų | 71.7 | 66% | 0.663 | 41% | 0.412 | S | S | * | . | trans | -52.7 | 100.2 | 175.1 | -70.5 | -20.6 | 0 | 0 | 0 | 111.4 | ||||
| 13 | Y | 83.7 | Confident | 64.5 | Low | 24 Ų | 24 | 71 Ų | 71 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | trans | -74.1 | 138.2 | 171.8 | -69.2 | -87.7 | 0 | 0 | 0 | 110.4 | D10 P11 F15 W36 A37 P641 | D10-Y13 HydrophobicContact CB-CE2 4.27Å; D10-Y13 WeakPolarHBondContact OD1-CE2 3.09Å; D10-Y13 PolarHBondContact OD1-OH 2.95Å; P11-Y13 HydrophobicContact CG-CE2 4.49Å; P11-Y13 WeakPolarHBondContact O-CD2 3.48Å; P11-Y13 WeakPolarHBondContact O-CE2 3.06Å; P11-Y13 PolarHBondContact O-N 3.13Å; Y13-F15 HydrophobicContact CG-CE2 4.44Å; Y13-W36 AromaticContact CD2-CD1 3.95Å; Y13-W36 AromaticContact CD2-CE2 3.96Å; Y13-W36 HydrophobicContact CD2-CZ2 4.45Å; Y13-W36 AromaticContact CD2-NE1 3.51Å; Y13-W36 CarbonylContact O-C 3.37Å; Y13-W36 WeakPolarHBondContact O-CA 3.45Å; Y13-A37 PolarHBondContact O-N 2.9Å; Y13-P641 CarbonylContact C-O 3.25Å; Y13-P641 WeakPolarHBondContact CA-O 3.27Å; Y13-P641 HydrophobicContact CD1-CB 4.38Å | ||
| 14 | T | 89.3 | Confident | 67.9 | Low | 25 Ų | 25 | 68.6 Ų | 68.6 | 15% | 0.153 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.1 | 172.9 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | A37 R39 P641 F642 R643 | T14-A37 CarbonylContact C-O 3.15Å; T14-A37 WeakPolarHBondContact CA-O 3.31Å; T14-A37 HydrophobicContact CG2-CB 4.34Å; T14-R39 HydrophobicContact CG2-CB 3.79Å; T14-P641 PolarHBondContact N-O 2.98Å; T14-F642 HydrophobicContact CG2-CD2 3.96Å; T14-F642 HydrophobicContact CG2-CE2 3.95Å; T14-F642 WeakPolarHBondContact O-CA 3.49Å; T14-R643 PolarHBondContact O-N 2.81Å; T14-R643 VanDerWaalsContact O-N 3.1Å |
| 15 | F | 92.9 | Very high | 71.1 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | -179.6 | -63.6 | -101.8 | 0 | 0 | 0 | 111 | Y13 L32 W36 A37 V38 R39 R643 L645 | Y13-F15 HydrophobicContact CG-CE2 4.44Å; F15-L32 HydrophobicContact CB-CD2 4.1Å; F15-L32 HydrophobicContact CD1-CD2 4.28Å; F15-L32 HydrophobicContact CD2-CD2 3.43Å; F15-L32 VanDerWaalsContact CD2-CD2 3.43Å; F15-L32 HydrophobicContact CE2-CD2 3.82Å; F15-L32 HydrophobicContact CG-CD2 3.69Å; F15-L32 HydrophobicContact CZ-CD2 4.34Å; F15-W36 HydrophobicContact CD2-CB 4.42Å; F15-W36 HydrophobicContact CD2-CE3 4.11Å; F15-W36 HydrophobicContact CE1-CZ3 4.44Å; F15-W36 HydrophobicContact CE2-CB 4.1Å; F15-W36 AromaticContact CE2-CD2 3.54Å; F15-W36 HydrophobicContact CE2-CD2 3.54Å; F15-W36 AromaticContact CE2-CE3 3.13Å; F15-W36 HydrophobicContact CE2-CE3 3.13Å; F15-W36 AromaticContact CE2-CG 3.98Å; F15-W36 HydrophobicContact CE2-CG 3.98Å; F15-W36 AromaticContact CE2-CZ3 3.73Å; F15-W36 HydrophobicContact CE2-CZ3 3.73Å; F15-W36 HydrophobicContact CZ-CD2 4.05Å; F15-W36 AromaticContact CZ-CE3 3.41Å; F15-W36 HydrophobicContact CZ-CE3 3.41Å; F15-W36 VanDerWaalsContact CZ-CE3 3.41Å; F15-W36 HydrophobicContact CZ-CH2 4.11Å; F15-W36 AromaticContact CZ-CZ3 3.45Å; F15-W36 HydrophobicContact CZ-CZ3 3.45Å; F15-W36 VanDerWaalsContact CZ-CZ3 3.45Å; F15-A37 PolarHBondContact N-O 3.27Å; F15-V38 CarbonylContact O-C 3.52Å; F15-V38 WeakPolarHBondContact O-CA 3.21Å; F15-R39 PolarHBondContact O-N 3.07Å; F15-R643 CarbonylContact C-O 3.56Å; F15-R643 VanDerWaalsContact CA-O 3.23Å; F15-R643 WeakPolarHBondContact CA-O 3.45Å; F15-R643 HydrophobicContact CD1-CG 4.02Å; F15-R643 HydrophobicContact CE1-CG 4.16Å; F15-L645 HydrophobicContact CB-CB 3.89Å; F15-L645 HydrophobicContact CB-CD1 3.86Å; F15-L645 HydrophobicContact CB-CG 4.28Å; F15-L645 HydrophobicContact CD1-CD1 3.96Å; F15-L645 HydrophobicContact CG-CD1 4.13Å |
| 16 | V | 92 | Very high | 74.4 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.4 | -175.6 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | R39 E41 F642 R643 Y644 L645 | V16-R39 CarbonylContact C-O 3.57Å; V16-R39 WeakPolarHBondContact CA-O 3.45Å; V16-R39 HydrophobicContact CG2-CB 4.23Å; V16-E41 HydrophobicContact CG1-CB 4.02Å; V16-E41 VanDerWaalsContact CG1-OE2 3.25Å; V16-E41 WeakPolarHBondContact CG1-OE2 3.09Å; V16-F642 HydrophobicContact CG2-CD1 4.2Å; V16-F642 HydrophobicContact CG2-CD2 4.42Å; V16-F642 HydrophobicContact CG2-CE1 3.49Å; V16-F642 VanDerWaalsContact CG2-CE1 3.49Å; V16-F642 HydrophobicContact CG2-CE2 3.74Å; V16-F642 HydrophobicContact CG2-CZ 3.23Å; V16-R643 PolarHBondContact N-O 2.94Å; V16-Y644 HydrophobicContact CB-CD1 4.25Å; V16-Y644 HydrophobicContact CG1-CD1 4.38Å; V16-Y644 HydrophobicContact CG1-CE1 4.39Å; V16-L645 PolarHBondContact O-N 2.85Å |
| 17 | L | 94.5 | Very high | 77.6 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.8 | 169.2 | -175 | 65.3 | 0 | 0 | 0 | 110 | L19 Y25 Y30 V38 R39 F40 E41 F105 L645 | L17-L19 PolarHBondContact O-N 3Å; L17-Y25 HydrophobicContact CD1-CD1 4.26Å; L17-Y25 HydrophobicContact CD1-CE1 3.96Å; L17-Y30 HydrophobicContact CD1-CE2 3.96Å; L17-Y30 WeakPolarHBondContact CD1-OH 3.39Å; L17-V38 HydrophobicContact CB-CG2 4.26Å; L17-R39 PolarHBondContact N-O 2.72Å; L17-F40 HydrophobicContact CB-CD1 4.45Å; L17-F40 HydrophobicContact CD2-CD1 4.06Å; L17-F40 HydrophobicContact CD2-CE1 3.79Å; L17-F40 WeakPolarHBondContact O-CA 3.36Å; L17-E41 PolarHBondContact O-N 3.44Å; L17-F105 HydrophobicContact CD2-CE1 3.71Å; L17-F105 HydrophobicContact CD2-CE2 4.05Å; L17-F105 HydrophobicContact CD2-CZ 3.43Å; L17-F105 VanDerWaalsContact CD2-CZ 3.43Å; L17-L645 HydrophobicContact CB-CB 4.42Å; L17-L645 HydrophobicContact CB-CD2 4.24Å |
| 18 | T | 92.8 | Very high | 80.8 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120.8 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | Y25 E41 G43 | T18-Y25 PolarHBondContact O-OH 2.9Å; T18-E41 CarbonylContact C-O 3.48Å; T18-E41 WeakPolarHBondContact CA-O 3.31Å; T18-G43 VanDerWaalsContact CG2-CA 3.49Å |
| 19 | L | 94.6 | Very high | 84 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127 | 175.5 | -57.1 | -178.9 | 0 | 0 | 0 | 110 | L17 F40 E41 G43 L46 L53 F105 F107 | L17-L19 PolarHBondContact O-N 3Å; L19-F40 HydrophobicContact CD1-CB 4.35Å; L19-F40 HydrophobicContact CD2-CD1 3.94Å; L19-E41 PolarHBondContact N-O 3.49Å; L19-G43 WeakPolarHBondContact O-CA 3.27Å; L19-G43 PolarHBondContact O-N 2.92Å; L19-L46 HydrophobicContact CB-CD1 3.79Å; L19-L46 WeakPolarHBondContact O-CD1 3.4Å; L19-L53 HydrophobicContact CD1-CD1 4.26Å; L19-L53 HydrophobicContact CD1-CD2 4.48Å; L19-F105 HydrophobicContact CD2-CD2 4.43Å; L19-F105 HydrophobicContact CD2-CE2 4.1Å; L19-F107 HydrophobicContact CB-CD1 4.41Å; L19-F107 HydrophobicContact CB-CE1 4.12Å; L19-F107 HydrophobicContact CB-CZ 4.28Å; L19-F107 HydrophobicContact CD1-CD1 4.18Å; L19-F107 HydrophobicContact CD1-CG 4.29Å; L19-F107 HydrophobicContact CD2-CD1 3.81Å; L19-F107 HydrophobicContact CD2-CE1 3.87Å; L19-F107 HydrophobicContact CG-CD1 4.37Å; L19-F107 HydrophobicContact CG-CE1 4.45Å |
| 20 | E | 93.7 | Very high | 87 | Confident | 33 Ų | 33 | 39.3 Ų | 39.3 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | trans | -127.9 | 136.7 | 178.5 | -65 | -85 | -146.8 | 0 | 0 | 110.1 | G22 K23 Y25 S45 F107 K1534 | E20-G22 PolarHBondContact O-N 2.69Å; E20-K23 HydrophobicContact CB-CB 4.26Å; E20-K23 HydrophobicContact CB-CD 4.27Å; E20-K23 VanDerWaalsContact O-CB 3.25Å; E20-K23 WeakPolarHBondContact O-CB 3.45Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-K23 VanDerWaalsContact O-N 3.14Å; E20-Y25 PolarHBondContact N-OH 3.33Å; E20-S45 WeakPolarHBondContact CA-OG 3.5Å; E20-S45 WeakPolarHBondContact OE2-CB 3.48Å; E20-S45 PolarHBondContact OE2-N 3.39Å; E20-S45 PolarHBondContact OE2-OG 2.8Å; E20-F107 WeakPolarHBondContact O-CZ 3.41Å; E20-K1534 IonicContact OE1-NZ 3.38Å; E20-K1534 PolarHBondContact OE1-NZ 3.07Å | ||
| 21 | Y | 91.8 | Very high | 89.2 | Confident | 94 Ų | 94 | 38 Ų | 38 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.5 | -179 | -168.5 | -81.1 | 0 | 0 | 0 | 111.4 | K23 S45 L46 Y49 N119 | Y21-K23 VanDerWaalsContact C-N 3.32Å; Y21-K23 PolarHBondContact O-N 2.68Å; Y21-S45 PolarHBondContact N-OG 3.22Å; Y21-L46 HydrophobicContact CD2-CD2 3.76Å; Y21-L46 HydrophobicContact CG-CD2 4.28Å; Y21-Y49 HydrophobicContact CE2-CE1 4.38Å; Y21-N119 HydrophobicContact CD2-CB 4.31Å; Y21-N119 HydrophobicContact CE2-CB 4.24Å; Y21-N119 WeakPolarHBondContact CE2-ND2 3.48Å; Y21-N119 PolarHBondContact OH-ND2 3Å |
| 22 | G | 91 | Very high | 91.1 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 61% | 0.608 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E20 N119 | E20-G22 PolarHBondContact O-N 2.69Å; G22-N119 CarbonylContact C-O 3.44Å; G22-N119 WeakPolarHBondContact CA-O 3.28Å; G22-N119 PolarHBondContact N-O 3.41Å |
| 23 | K | 91.4 | Very high | 92.3 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | trans | -84.6 | 125.8 | -172.5 | -165.3 | 149.9 | 179.3 | 173 | 0 | 113.1 | E20 Y21 Y25 G120 F121 | E20-K23 HydrophobicContact CB-CB 4.26Å; E20-K23 HydrophobicContact CB-CD 4.27Å; E20-K23 VanDerWaalsContact O-CB 3.25Å; E20-K23 WeakPolarHBondContact O-CB 3.45Å; E20-K23 PolarHBondContact O-N 2.83Å; E20-K23 VanDerWaalsContact O-N 3.14Å; Y21-K23 VanDerWaalsContact C-N 3.32Å; Y21-K23 PolarHBondContact O-N 2.68Å; K23-Y25 HydrophobicContact CB-CD2 4.36Å; K23-Y25 HydrophobicContact CB-CE2 3.63Å; K23-Y25 HydrophobicContact CD-CE1 3.88Å; K23-Y25 HydrophobicContact CD-CE2 4.23Å; K23-Y25 HydrophobicContact CG-CD1 4.39Å; K23-Y25 HydrophobicContact CG-CD2 4.07Å; K23-Y25 HydrophobicContact CG-CE1 3.97Å; K23-Y25 HydrophobicContact CG-CE2 3.58Å; K23-Y25 HydrophobicContact CG-CG 4.44Å; K23-G120 WeakPolarHBondContact O-CA 3.34Å; K23-F121 PolarHBondContact O-N 3.13Å | ||
| 24 | N | 92.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -100.2 | 116.3 | 171 | -177.9 | -10.6 | 0 | 0 | 0 | 109.8 | E26 F121 | N24-E26 WeakPolarHBondContact OD1-CB 3.26Å; N24-E26 PolarHBondContact OD1-N 2.85Å; N24-F121 HydrophobicContact CB-CE1 4.23Å; N24-F121 WeakPolarHBondContact ND2-CZ 2.97Å; N24-F121 WeakPolarHBondContact OD1-CZ 3.42Å |
| 25 | Y | 92.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | trans | -100.7 | 7.9 | -179.4 | -57 | -100 | 0 | 0 | 0 | 112.8 | L17 T18 E20 K23 T27 Q28 Y30 F105 F121 | L17-Y25 HydrophobicContact CD1-CD1 4.26Å; L17-Y25 HydrophobicContact CD1-CE1 3.96Å; T18-Y25 PolarHBondContact O-OH 2.9Å; E20-Y25 PolarHBondContact N-OH 3.33Å; K23-Y25 HydrophobicContact CB-CD2 4.36Å; K23-Y25 HydrophobicContact CB-CE2 3.63Å; K23-Y25 HydrophobicContact CD-CE1 3.88Å; K23-Y25 HydrophobicContact CD-CE2 4.23Å; K23-Y25 HydrophobicContact CG-CD1 4.39Å; K23-Y25 HydrophobicContact CG-CD2 4.07Å; K23-Y25 HydrophobicContact CG-CE1 3.97Å; K23-Y25 HydrophobicContact CG-CE2 3.58Å; K23-Y25 HydrophobicContact CG-CG 4.44Å; Y25-T27 VanDerWaalsContact C-N 3.28Å; Y25-T27 PolarHBondContact O-N 3.31Å; Y25-Q28 WeakPolarHBondContact O-CB 3.49Å; Y25-Q28 PolarHBondContact O-N 3.02Å; Y25-Y30 HydrophobicContact CD1-CE2 4.18Å; Y25-F105 HydrophobicContact CD2-CE2 4.18Å; Y25-F105 AromaticContact CD2-CZ 3.93Å; Y25-F105 HydrophobicContact CD2-CZ 3.93Å; Y25-F105 HydrophobicContact CE2-CE2 4.47Å; Y25-F105 HydrophobicContact CG-CZ 4.12Å; Y25-F121 WeakPolarHBondContact CD2-O 3.39Å; Y25-F121 PolarHBondContact N-O 2.75Å | ||
| 26 | E | 93 | Very high | 92.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.4 | -173.3 | -175.8 | 169.2 | -134.3 | 0 | 0 | 114.1 | N24 Q28 F121 Y123 I599 N602 R603 | N24-E26 WeakPolarHBondContact OD1-CB 3.26Å; N24-E26 PolarHBondContact OD1-N 2.85Å; E26-Q28 VanDerWaalsContact C-N 3.29Å; E26-F121 HydrophobicContact CB-CE2 3.9Å; E26-F121 HydrophobicContact CB-CZ 4.3Å; E26-F121 HydrophobicContact CG-CE2 4.38Å; E26-Y123 HydrophobicContact CG-CD2 4.29Å; E26-Y123 HydrophobicContact CG-CE2 4.03Å; E26-I599 HydrophobicContact CG-CG1 4.27Å; E26-N602 PolarHBondContact O-ND2 3.44Å; E26-R603 IonicContact OE1-CZ 3.16Å; E26-R603 IonicContact OE1-NE 2.76Å; E26-R603 PolarHBondContact OE1-NE 3.07Å; E26-R603 IonicContact OE1-NH2 2.69Å; E26-R603 PolarHBondContact OE1-NH2 3.48Å; E26-R603 IonicContact OE2-NH2 3.64Å |
| 27 | T | 93.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 37% | 0.368 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.3 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | Y25 A595 N598 I599 | Y25-T27 VanDerWaalsContact C-N 3.28Å; Y25-T27 PolarHBondContact O-N 3.31Å; T27-A595 HydrophobicContact CG2-CB 4.23Å; T27-N598 VanDerWaalsContact O-CB 3.31Å; T27-N598 WeakPolarHBondContact O-CB 3.29Å; T27-N598 PolarHBondContact O-ND2 2.95Å; T27-I599 HydrophobicContact CG2-CD1 4.3Å; T27-I599 HydrophobicContact CG2-CG1 4.31Å |
| 28 | Q | 94.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 23% | 0.229 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -99.9 | 130.1 | 179.1 | -60.7 | -177.2 | -2.3 | 0 | 0 | 108.8 | Y25 E26 Y30 N602 P647 | Y25-Q28 WeakPolarHBondContact O-CB 3.49Å; Y25-Q28 PolarHBondContact O-N 3.02Å; E26-Q28 VanDerWaalsContact C-N 3.29Å; Q28-Y30 HydrophobicContact CB-CE2 4.1Å; Q28-Y30 PolarHBondContact OE1-OH 2.96Å; Q28-N602 PolarHBondContact O-ND2 3.46Å; Q28-P647 HydrophobicContact CB-CB 4.41Å; Q28-P647 HydrophobicContact CB-CG 4.24Å; Q28-P647 HydrophobicContact CG-CG 4.31Å |
| 29 | L | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -94.5 | 122.7 | 179 | 176 | 59 | 0 | 0 | 0 | 109.8 | Q31 Q125 N598 V601 N602 P647 A648 A650 | L29-Q31 HydrophobicContact CD1-CG 3.78Å; L29-Q31 HydrophobicContact CD2-CG 4.24Å; L29-Q31 HydrophobicContact CG-CG 3.94Å; L29-Q125 VanDerWaalsContact CD1-NE2 3.33Å; L29-N598 HydrophobicContact CB-CB 4.42Å; L29-V601 HydrophobicContact CD1-CG1 3.68Å; L29-V601 HydrophobicContact CD2-CG1 3.9Å; L29-V601 HydrophobicContact CG-CG1 4.45Å; L29-N602 VanDerWaalsContact CD1-OD1 3.22Å; L29-N602 WeakPolarHBondContact CD1-OD1 3.45Å; L29-P647 CarbonylContact O-C 3.52Å; L29-P647 WeakPolarHBondContact O-CA 3.15Å; L29-A648 PolarHBondContact O-N 2.71Å; L29-A650 VanDerWaalsContact CD2-CA 3.47Å; L29-A650 HydrophobicContact CD2-CB 3.72Å | ||
| 30 | Y | 95.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -119.3 | 112.8 | 172.1 | -60.3 | -59.6 | 0 | 0 | 0 | 109 | L17 Y25 Q28 Y123 F124 Q125 L645 P647 | L17-Y30 HydrophobicContact CD1-CE2 3.96Å; L17-Y30 WeakPolarHBondContact CD1-OH 3.39Å; Y25-Y30 HydrophobicContact CD1-CE2 4.18Å; Q28-Y30 HydrophobicContact CB-CE2 4.1Å; Q28-Y30 PolarHBondContact OE1-OH 2.96Å; Y30-Y123 WeakPolarHBondContact CD2-O 3.49Å; Y30-F124 CarbonylContact O-C 3.47Å; Y30-Q125 PolarHBondContact O-N 3.12Å; Y30-L645 HydrophobicContact CD1-CD1 3.95Å; Y30-L645 HydrophobicContact CD1-CD2 3.99Å; Y30-L645 HydrophobicContact CD1-CG 3.47Å; Y30-L645 VanDerWaalsContact CD1-CG 3.47Å; Y30-L645 HydrophobicContact CD2-CD2 4.4Å; Y30-L645 HydrophobicContact CE1-CD2 4.49Å; Y30-L645 HydrophobicContact CE1-CG 3.87Å; Y30-L645 WeakPolarHBondContact CE1-O 3.44Å; Y30-L645 HydrophobicContact CG-CD1 4.39Å; Y30-L645 HydrophobicContact CG-CD2 3.89Å; Y30-L645 HydrophobicContact CG-CG 3.91Å; Y30-P647 HydrophobicContact CE1-CB 4.48Å; Y30-P647 HydrophobicContact CE1-CG 4.03Å | ||
| 31 | Q | 92.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.1 | 178 | -67.6 | -176.3 | -51.8 | 0 | 0 | 109.4 | L29 Q125 L127 | L29-Q31 HydrophobicContact CD1-CG 3.78Å; L29-Q31 HydrophobicContact CD2-CG 4.24Å; L29-Q31 HydrophobicContact CG-CG 3.94Å; Q31-Q125 HydrophobicContact CG-CB 4.43Å; Q31-L127 HydrophobicContact CB-CD1 4.39Å; Q31-L127 HydrophobicContact CB-CD2 4.41Å; Q31-L127 HydrophobicContact CB-CG 4.44Å; Q31-L127 HydrophobicContact CG-CD2 4.43Å |
| 32 | L | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.6 | -176.7 | -66.2 | 165.2 | 0 | 0 | 0 | 109.2 | F15 W36 V38 F124 Q125 V126 L127 L645 | F15-L32 HydrophobicContact CB-CD2 4.1Å; F15-L32 HydrophobicContact CD1-CD2 4.28Å; F15-L32 HydrophobicContact CD2-CD2 3.43Å; F15-L32 VanDerWaalsContact CD2-CD2 3.43Å; F15-L32 HydrophobicContact CE2-CD2 3.82Å; F15-L32 HydrophobicContact CG-CD2 3.69Å; F15-L32 HydrophobicContact CZ-CD2 4.34Å; L32-W36 HydrophobicContact CB-CE3 4.23Å; L32-W36 HydrophobicContact CD2-CE3 3.86Å; L32-W36 HydrophobicContact CD2-CZ3 4.48Å; L32-V38 HydrophobicContact CD1-CB 4.03Å; L32-F124 HydrophobicContact CD1-CB 4.24Å; L32-F124 HydrophobicContact CD1-CD2 3.98Å; L32-F124 HydrophobicContact CD1-CG 4.41Å; L32-Q125 PolarHBondContact N-O 2.96Å; L32-V126 CarbonylContact O-C 3.43Å; L32-V126 WeakPolarHBondContact O-CA 3.42Å; L32-L127 PolarHBondContact O-N 3.48Å; L32-L645 HydrophobicContact CD2-CD1 3.92Å; L32-L645 HydrophobicContact CG-CD1 4.47Å |
| 33 | E | 90.8 | Very high | 92.8 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | trans | -85.1 | 158.2 | 172.3 | -60.5 | -176.8 | -174.5 | 0 | 0 | 111 | W36 L127 | E33-W36 HydrophobicContact CB-CD2 3.79Å; E33-W36 HydrophobicContact CB-CE3 4.06Å; E33-W36 HydrophobicContact CB-CG 4.33Å; E33-W36 HydrophobicContact CB-CH2 4.13Å; E33-W36 HydrophobicContact CB-CZ2 3.86Å; E33-W36 HydrophobicContact CB-CZ3 4.23Å; E33-W36 VanDerWaalsContact CD-CZ2 3.47Å; E33-W36 HydrophobicContact CG-CD2 4.39Å; E33-W36 HydrophobicContact CG-CE3 4.33Å; E33-W36 HydrophobicContact CG-CH2 3.65Å; E33-W36 HydrophobicContact CG-CZ2 3.69Å; E33-W36 HydrophobicContact CG-CZ3 3.98Å; E33-W36 WeakPolarHBondContact O-CB 3.29Å; E33-W36 PolarHBondContact O-N 3.16Å; E33-L127 HydrophobicContact CG-CD1 4.38Å | ||
| 34 | K | 90.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 24.7 Ų | 24.7 | 19% | 0.187 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 141.2 | 173.1 | -75.8 | -175.7 | 175.1 | -177.7 | 0 | 111 | W36 C97 S98 V126 M129 E582 | K34-W36 VanDerWaalsContact C-N 3.29Å; K34-C97 WeakPolarHBondContact CA-O 3.26Å; K34-S98 WeakPolarHBondContact CE-O 3.29Å; K34-V126 HydrophobicContact CG-CG1 3.64Å; K34-M129 HydrophobicContact CB-CE 4.1Å; K34-M129 HydrophobicContact CD-CB 4.15Å; K34-E582 WeakPolarHBondContact CE-OE2 3.33Å; K34-E582 IonicContact NZ-OE1 3.37Å; K34-E582 PolarHBondContact NZ-OE1 3.49Å; K34-E582 IonicContact NZ-OE2 3.89Å; K34-E582 PolarHBondContact NZ-OE2 3.2Å |
| 35 | G | 88.4 | Confident | 92.9 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 32% | 0.32 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -16.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L96 C97 | G35-L96 WeakPolarHBondContact O-CD1 3.44Å; G35-C97 PolarHBondContact N-O 2.88Å |
| 36 | W | 91.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 23.2 Ų | 23.2 | 13% | 0.133 | 13% | 0.126 | C | C | . | . | trans | -77.3 | 160 | 170.6 | -60.6 | -2.9 | 0 | 0 | 0 | 111.1 | Y13 F15 L32 E33 K34 C97 | Y13-W36 AromaticContact CD2-CD1 3.95Å; Y13-W36 AromaticContact CD2-CE2 3.96Å; Y13-W36 HydrophobicContact CD2-CZ2 4.45Å; Y13-W36 AromaticContact CD2-NE1 3.51Å; Y13-W36 CarbonylContact O-C 3.37Å; Y13-W36 WeakPolarHBondContact O-CA 3.45Å; F15-W36 HydrophobicContact CD2-CB 4.42Å; F15-W36 HydrophobicContact CD2-CE3 4.11Å; F15-W36 HydrophobicContact CE1-CZ3 4.44Å; F15-W36 HydrophobicContact CE2-CB 4.1Å; F15-W36 AromaticContact CE2-CD2 3.54Å; F15-W36 HydrophobicContact CE2-CD2 3.54Å; F15-W36 AromaticContact CE2-CE3 3.13Å; F15-W36 HydrophobicContact CE2-CE3 3.13Å; F15-W36 AromaticContact CE2-CG 3.98Å; F15-W36 HydrophobicContact CE2-CG 3.98Å; F15-W36 AromaticContact CE2-CZ3 3.73Å; F15-W36 HydrophobicContact CE2-CZ3 3.73Å; F15-W36 HydrophobicContact CZ-CD2 4.05Å; F15-W36 AromaticContact CZ-CE3 3.41Å; F15-W36 HydrophobicContact CZ-CE3 3.41Å; F15-W36 VanDerWaalsContact CZ-CE3 3.41Å; F15-W36 HydrophobicContact CZ-CH2 4.11Å; F15-W36 AromaticContact CZ-CZ3 3.45Å; F15-W36 HydrophobicContact CZ-CZ3 3.45Å; F15-W36 VanDerWaalsContact CZ-CZ3 3.45Å; L32-W36 HydrophobicContact CB-CE3 4.23Å; L32-W36 HydrophobicContact CD2-CE3 3.86Å; L32-W36 HydrophobicContact CD2-CZ3 4.48Å; E33-W36 HydrophobicContact CB-CD2 3.79Å; E33-W36 HydrophobicContact CB-CE3 4.06Å; E33-W36 HydrophobicContact CB-CG 4.33Å; E33-W36 HydrophobicContact CB-CH2 4.13Å; E33-W36 HydrophobicContact CB-CZ2 3.86Å; E33-W36 HydrophobicContact CB-CZ3 4.23Å; E33-W36 VanDerWaalsContact CD-CZ2 3.47Å; E33-W36 HydrophobicContact CG-CD2 4.39Å; E33-W36 HydrophobicContact CG-CE3 4.33Å; E33-W36 HydrophobicContact CG-CH2 3.65Å; E33-W36 HydrophobicContact CG-CZ2 3.69Å; E33-W36 HydrophobicContact CG-CZ3 3.98Å; E33-W36 WeakPolarHBondContact O-CB 3.29Å; E33-W36 PolarHBondContact O-N 3.16Å; K34-W36 VanDerWaalsContact C-N 3.29Å; W36-C97 VanDerWaalsContact O-CB 3.24Å; W36-C97 WeakPolarHBondContact O-CB 3.49Å; W36-C97 PolarHBondContact O-N 3.48Å; W36-C97 PolarHBondContact O-SG 3.17Å | ||
| 37 | A | 92.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y13 T14 F15 V95 | Y13-A37 PolarHBondContact O-N 2.9Å; T14-A37 CarbonylContact C-O 3.15Å; T14-A37 WeakPolarHBondContact CA-O 3.31Å; T14-A37 HydrophobicContact CG2-CB 4.34Å; F15-A37 PolarHBondContact N-O 3.27Å; A37-V95 CarbonylContact C-O 3.54Å; A37-V95 VanDerWaalsContact CA-O 3.31Å; A37-V95 WeakPolarHBondContact CA-O 3.39Å |
| 38 | V | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.8 | 163.8 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | F15 L17 L32 F40 D94 V95 F124 L645 | F15-V38 CarbonylContact O-C 3.52Å; F15-V38 WeakPolarHBondContact O-CA 3.21Å; L17-V38 HydrophobicContact CB-CG2 4.26Å; L32-V38 HydrophobicContact CD1-CB 4.03Å; V38-F40 HydrophobicContact CG1-CD2 4.43Å; V38-F40 HydrophobicContact CG1-CE2 3.69Å; V38-F40 HydrophobicContact CG1-CZ 4.05Å; V38-F40 HydrophobicContact CG2-CE1 4.49Å; V38-F40 HydrophobicContact CG2-CE2 4.3Å; V38-F40 HydrophobicContact CG2-CZ 4.24Å; V38-D94 WeakPolarHBondContact O-CA 3.4Å; V38-V95 HydrophobicContact CG1-CB 3.84Å; V38-V95 HydrophobicContact CG1-CG1 4.46Å; V38-V95 PolarHBondContact N-O 3.37Å; V38-V95 PolarHBondContact O-N 2.97Å; V38-F124 HydrophobicContact CG1-CE2 4.28Å; V38-F124 HydrophobicContact CG1-CZ 4.25Å; V38-L645 HydrophobicContact CG2-CD2 3.92Å |
| 39 | R | 94.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 20.1 Ų | 20.1 | 17% | 0.17 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 110.9 | 171.5 | 176.8 | 165.8 | -70.3 | -170.6 | -2 | 109.1 | T14 F15 V16 L17 F92 A93 D94 | T14-R39 HydrophobicContact CG2-CB 3.79Å; F15-R39 PolarHBondContact O-N 3.07Å; V16-R39 CarbonylContact C-O 3.57Å; V16-R39 WeakPolarHBondContact CA-O 3.45Å; V16-R39 HydrophobicContact CG2-CB 4.23Å; L17-R39 PolarHBondContact N-O 2.72Å; R39-F92 HydrophobicContact CG-CB 3.82Å; R39-F92 HydrophobicContact CG-CD2 3.97Å; R39-F92 HydrophobicContact CG-CG 4.09Å; R39-F92 VanDerWaalsContact CZ-CD2 3.47Å; R39-F92 VanDerWaalsContact CZ-CZ 3.5Å; R39-A93 CarbonylContact C-O 3.56Å; R39-A93 WeakPolarHBondContact CA-O 3.39Å; R39-D94 WeakPolarHBondContact CA-OD1 3.2Å; R39-D94 WeakPolarHBondContact CB-OD1 3.43Å; R39-D94 VanDerWaalsContact CG-OD1 3.3Å; R39-D94 WeakPolarHBondContact CG-OD1 3.46Å; R39-D94 IonicContact CZ-OD1 2.73Å; R39-D94 IonicContact CZ-OD2 3.77Å; R39-D94 IonicContact NE-OD1 3.37Å; R39-D94 PolarHBondContact NE-OD1 3.01Å; R39-D94 IonicContact NE-OD2 2.83Å; R39-D94 IonicContact NH2-OD1 2.75Å; R39-D94 PolarHBondContact NH2-OD1 2.82Å; R39-D94 IonicContact NH2-OD2 3.73Å; R39-D94 PolarHBondContact NH2-OD2 3.21Å |
| 40 | F | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.8 | 167.4 | -64.2 | -82.4 | 0 | 0 | 0 | 108.9 | L17 L19 V38 L53 F92 A93 V95 F105 F124 | L17-F40 HydrophobicContact CB-CD1 4.45Å; L17-F40 HydrophobicContact CD2-CD1 4.06Å; L17-F40 HydrophobicContact CD2-CE1 3.79Å; L17-F40 WeakPolarHBondContact O-CA 3.36Å; L19-F40 HydrophobicContact CD1-CB 4.35Å; L19-F40 HydrophobicContact CD2-CD1 3.94Å; V38-F40 HydrophobicContact CG1-CD2 4.43Å; V38-F40 HydrophobicContact CG1-CE2 3.69Å; V38-F40 HydrophobicContact CG1-CZ 4.05Å; V38-F40 HydrophobicContact CG2-CE1 4.49Å; V38-F40 HydrophobicContact CG2-CE2 4.3Å; V38-F40 HydrophobicContact CG2-CZ 4.24Å; F40-L53 HydrophobicContact CB-CD2 3.53Å; F40-L53 HydrophobicContact CD1-CD2 4.13Å; F40-L53 HydrophobicContact CD2-CD2 3.7Å; F40-L53 HydrophobicContact CE2-CD2 4.42Å; F40-L53 HydrophobicContact CG-CD2 3.52Å; F40-F92 CarbonylContact O-C 3.32Å; F40-F92 WeakPolarHBondContact O-CA 3.27Å; F40-F92 WeakPolarHBondContact O-CB 3.36Å; F40-A93 PolarHBondContact N-O 3.07Å; F40-A93 PolarHBondContact O-N 2.79Å; F40-V95 HydrophobicContact CD2-CG2 4.07Å; F40-V95 HydrophobicContact CE2-CB 4.29Å; F40-V95 HydrophobicContact CE2-CG2 3.83Å; F40-F105 HydrophobicContact CD1-CD2 4.43Å; F40-F105 HydrophobicContact CE1-CB 3.95Å; F40-F105 AromaticContact CE1-CD1 3.84Å; F40-F105 HydrophobicContact CE1-CD1 3.84Å; F40-F105 AromaticContact CE1-CD2 3.78Å; F40-F105 HydrophobicContact CE1-CD2 3.78Å; F40-F105 HydrophobicContact CE1-CE1 4.28Å; F40-F105 HydrophobicContact CE1-CE2 4.25Å; F40-F105 AromaticContact CE1-CG 3.56Å; F40-F105 HydrophobicContact CE1-CG 3.56Å; F40-F105 HydrophobicContact CE1-CZ 4.48Å; F40-F105 HydrophobicContact CZ-CB 3.94Å; F40-F105 HydrophobicContact CZ-CD1 4.18Å; F40-F105 AromaticContact CZ-CG 3.99Å; F40-F105 HydrophobicContact CZ-CG 3.99Å; F40-F124 HydrophobicContact CZ-CD1 4.23Å; F40-F124 AromaticContact CZ-CE1 3.88Å; F40-F124 HydrophobicContact CZ-CE1 3.88Å |
| 41 | E | 93.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 16% | 0.164 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.8 | -179.3 | -174.9 | 178 | 168.5 | 0 | 0 | 110.5 | V16 L17 T18 L19 G43 F92 | V16-E41 HydrophobicContact CG1-CB 4.02Å; V16-E41 VanDerWaalsContact CG1-OE2 3.25Å; V16-E41 WeakPolarHBondContact CG1-OE2 3.09Å; L17-E41 PolarHBondContact O-N 3.44Å; T18-E41 CarbonylContact C-O 3.48Å; T18-E41 WeakPolarHBondContact CA-O 3.31Å; L19-E41 PolarHBondContact N-O 3.49Å; E41-G43 PolarHBondContact O-N 3.34Å; E41-F92 HydrophobicContact CB-CB 4.31Å; E41-F92 HydrophobicContact CG-CB 4.49Å |
| 42 | V | 92.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 118.9 | 178.5 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L46 L78 R91 | V42-L46 HydrophobicContact CG1-CB 3.44Å; V42-L46 VanDerWaalsContact CG1-CB 3.44Å; V42-L46 HydrophobicContact CG1-CD1 4.37Å; V42-L78 HydrophobicContact CG2-CD1 3.76Å; V42-R91 HydrophobicContact CB-CB 4.38Å; V42-R91 HydrophobicContact CG2-CB 3.91Å; V42-R91 PolarHBondContact N-O 2.94Å |
| 43 | G | 92.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | trans | -76.9 | 169.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | T18 L19 E41 S45 L46 F47 | T18-G43 VanDerWaalsContact CG2-CA 3.49Å; L19-G43 WeakPolarHBondContact O-CA 3.27Å; L19-G43 PolarHBondContact O-N 2.92Å; E41-G43 PolarHBondContact O-N 3.34Å; G43-S45 PolarHBondContact O-N 2.89Å; G43-L46 PolarHBondContact O-N 3.41Å; G43-F47 WeakPolarHBondContact O-CD1 3.04Å | ||
| 44 | A | 92.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -57.5 | -33.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L46 F47 G1530 W1533 K1534 | A44-L46 PolarHBondContact O-N 3.48Å; A44-F47 PolarHBondContact O-N 3.15Å; A44-G1530 WeakPolarHBondContact O-CA 3.5Å; A44-W1533 HydrophobicContact CB-CB 4.4Å; A44-W1533 HydrophobicContact CB-CG 4.44Å; A44-K1534 HydrophobicContact CB-CB 4.47Å |
| 45 | S | 92.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 34% | 0.343 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -68 | -14.2 | 178.1 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | E20 Y21 G43 Y49 | E20-S45 WeakPolarHBondContact CA-OG 3.5Å; E20-S45 WeakPolarHBondContact OE2-CB 3.48Å; E20-S45 PolarHBondContact OE2-N 3.39Å; E20-S45 PolarHBondContact OE2-OG 2.8Å; Y21-S45 PolarHBondContact N-OG 3.22Å; G43-S45 PolarHBondContact O-N 2.89Å; S45-Y49 WeakPolarHBondContact O-CE2 3.26Å |
| 46 | L | 93 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -109.3 | 8.2 | -178.3 | -67.8 | 174.6 | 0 | 0 | 0 | 112.9 | L19 Y21 V42 G43 A44 G48 Y49 V51 F107 C109 | L19-L46 HydrophobicContact CB-CD1 3.79Å; L19-L46 WeakPolarHBondContact O-CD1 3.4Å; Y21-L46 HydrophobicContact CD2-CD2 3.76Å; Y21-L46 HydrophobicContact CG-CD2 4.28Å; V42-L46 HydrophobicContact CG1-CB 3.44Å; V42-L46 VanDerWaalsContact CG1-CB 3.44Å; V42-L46 HydrophobicContact CG1-CD1 4.37Å; G43-L46 PolarHBondContact O-N 3.41Å; A44-L46 PolarHBondContact O-N 3.48Å; L46-G48 PolarHBondContact O-N 2.83Å; L46-Y49 PolarHBondContact O-N 2.76Å; L46-V51 HydrophobicContact CB-CG2 4.23Å; L46-V51 HydrophobicContact CD1-CG2 4.35Å; L46-V51 HydrophobicContact CD2-CG2 4.29Å; L46-F107 HydrophobicContact CD1-CD2 4.19Å; L46-F107 HydrophobicContact CD1-CE2 3.72Å; L46-F107 HydrophobicContact CD1-CZ 4.3Å; L46-F107 HydrophobicContact CD2-CE2 4.19Å; L46-C109 VanDerWaalsContact CD2-SG 3.56Å |
| 47 | F | 91.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.4 | 173.9 | -74.1 | 4.2 | 0 | 0 | 0 | 110.6 | G43 A44 Y49 F89 F1077 Q1526 K1527 W1533 | G43-F47 WeakPolarHBondContact O-CD1 3.04Å; A44-F47 PolarHBondContact O-N 3.15Å; F47-Y49 WeakPolarHBondContact O-CD2 3.39Å; F47-Y49 PolarHBondContact O-N 2.71Å; F47-Y49 VanDerWaalsContact O-N 3.17Å; F47-F89 AromaticContact CD2-CD1 3.53Å; F47-F89 HydrophobicContact CD2-CD1 3.53Å; F47-F89 HydrophobicContact CD2-CE1 4.18Å; F47-F89 HydrophobicContact CD2-CG 4.44Å; F47-F89 HydrophobicContact CE1-CB 4.23Å; F47-F89 WeakPolarHBondContact CE1-O 3.36Å; F47-F89 HydrophobicContact CE2-CB 4Å; F47-F89 AromaticContact CE2-CD1 3.69Å; F47-F89 HydrophobicContact CE2-CD1 3.69Å; F47-F89 HydrophobicContact CE2-CG 4.18Å; F47-F89 HydrophobicContact CG-CD1 4Å; F47-F89 HydrophobicContact CZ-CB 3.8Å; F47-F89 HydrophobicContact CZ-CD1 4.29Å; F47-F89 HydrophobicContact CZ-CG 4.47Å; F47-F89 WeakPolarHBondContact CZ-O 3.33Å; F47-F1077 HydrophobicContact CE2-CD1 4.45Å; F47-Q1526 VanDerWaalsContact CB-O 3.31Å; F47-Q1526 WeakPolarHBondContact CB-O 3.29Å; F47-K1527 WeakPolarHBondContact O-CA 3.36Å; F47-K1527 WeakPolarHBondContact O-CG 3.31Å; F47-W1533 HydrophobicContact CE2-CB 4.06Å; F47-W1533 AromaticContact CE2-CD1 3.93Å; F47-W1533 HydrophobicContact CE2-CG 4.28Å; F47-W1533 AromaticContact CZ-CD1 3.56Å; F47-W1533 HydrophobicContact CZ-CG 4.3Å |
| 48 | G | 89.3 | Confident | 92.8 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -5.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L46 S1523 | L46-G48 PolarHBondContact O-N 2.83Å; G48-S1523 WeakPolarHBondContact O-CB 3.03Å; G48-S1523 PolarHBondContact O-OG 2.87Å |
| 49 | Y | 90.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 27.7 Ų | 27.7 | 20% | 0.2 | 14% | 0.135 | C | C | . | . | trans | -83.2 | 144.9 | 173.4 | -69.6 | -91 | 0 | 0 | 0 | 111.4 | Y21 S45 L46 F47 V51 R91 C109 K1527 | Y21-Y49 HydrophobicContact CE2-CE1 4.38Å; S45-Y49 WeakPolarHBondContact O-CE2 3.26Å; L46-Y49 PolarHBondContact O-N 2.76Å; F47-Y49 WeakPolarHBondContact O-CD2 3.39Å; F47-Y49 PolarHBondContact O-N 2.71Å; F47-Y49 VanDerWaalsContact O-N 3.17Å; Y49-V51 PolarHBondContact O-N 2.78Å; Y49-R91 PolarHBondContact O-NH1 2.86Å; Y49-R91 VanDerWaalsContact O-NH1 3.13Å; Y49-R91 PolarHBondContact O-NH2 2.9Å; Y49-C109 HydrophobicContact CD1-CB 3.88Å; Y49-C109 HydrophobicContact CG-CB 4.48Å; Y49-K1527 HydrophobicContact CD2-CD 4.4Å; Y49-K1527 HydrophobicContact CD2-CG 4.13Å; Y49-K1527 HydrophobicContact CE1-CD 4.49Å; Y49-K1527 HydrophobicContact CE2-CD 3.94Å; Y49-K1527 HydrophobicContact CE2-CG 3.82Å | ||
| 50 | D | 89.1 | Confident | 91.4 | Very high | 92 Ų | 92 | 31 Ų | 31 | 49% | 0.492 | 16% | 0.162 | S | C | . | . | trans | -82.1 | 106.8 | 164.6 | -172.4 | 21.9 | 0 | 0 | 0 | 108.4 | C109 S110 | D50-C109 WeakPolarHBondContact O-CA 3.47Å; D50-S110 PolarHBondContact O-N 3.33Å | ||
| 51 | V | 91.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.1 | -171.3 | 179 | 0 | 0 | 0 | 0 | 108.7 | L46 Y49 L78 F107 | L46-V51 HydrophobicContact CB-CG2 4.23Å; L46-V51 HydrophobicContact CD1-CG2 4.35Å; L46-V51 HydrophobicContact CD2-CG2 4.29Å; Y49-V51 PolarHBondContact O-N 2.78Å; V51-L78 HydrophobicContact CB-CD1 4.01Å; V51-L78 HydrophobicContact CG1-CD1 3.91Å; V51-F107 HydrophobicContact CG1-CB 3.99Å; V51-F107 HydrophobicContact CG1-CD2 4.16Å; V51-F107 HydrophobicContact CG1-CG 4.41Å |
| 52 | K | 92.8 | Very high | 88.4 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 30% | 0.296 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.2 | 171.2 | -64.9 | 178.7 | -178.3 | 169.2 | 0 | 108.9 | F54 F107 M108 E113 | K52-F54 HydrophobicContact CB-CE2 3.67Å; K52-F54 HydrophobicContact CB-CZ 4.17Å; K52-F107 VanDerWaalsContact O-CA 3.23Å; K52-F107 WeakPolarHBondContact O-CA 3.36Å; K52-M108 PolarHBondContact N-O 3.35Å; K52-M108 PolarHBondContact O-N 3.33Å; K52-E113 IonicContact NZ-OE1 2.7Å; K52-E113 PolarHBondContact NZ-OE1 3.25Å |
| 53 | L | 94.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.7 | 178 | 178.2 | 65.2 | 0 | 0 | 0 | 109.8 | L19 F40 V76 L78 F105 F107 | L19-L53 HydrophobicContact CD1-CD1 4.26Å; L19-L53 HydrophobicContact CD1-CD2 4.48Å; F40-L53 HydrophobicContact CB-CD2 3.53Å; F40-L53 HydrophobicContact CD1-CD2 4.13Å; F40-L53 HydrophobicContact CD2-CD2 3.7Å; F40-L53 HydrophobicContact CE2-CD2 4.42Å; F40-L53 HydrophobicContact CG-CD2 3.52Å; L53-V76 HydrophobicContact CB-CB 4.17Å; L53-V76 HydrophobicContact CD2-CB 3.8Å; L53-V76 HydrophobicContact CD2-CG1 3.9Å; L53-V76 HydrophobicContact CD2-CG2 4.22Å; L53-V76 HydrophobicContact CG-CB 3.91Å; L53-V76 HydrophobicContact CG-CG2 4.19Å; L53-V76 PolarHBondContact O-N 2.72Å; L53-L78 HydrophobicContact CB-CD1 4.5Å; L53-L78 HydrophobicContact CD2-CD2 4.22Å; L53-F105 HydrophobicContact CD1-CB 4.43Å; L53-F105 HydrophobicContact CD1-CD2 4.4Å; L53-F107 HydrophobicContact CD1-CB 3.96Å |
| 54 | F | 94.7 | Very high | 87.1 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.2 | 174.9 | -58.8 | -93.1 | 0 | 0 | 0 | 109.9 | K52 W73 Y74 E75 F105 V106 M108 F115 | K52-F54 HydrophobicContact CB-CE2 3.67Å; K52-F54 HydrophobicContact CB-CZ 4.17Å; F54-W73 HydrophobicContact CB-CB 4.29Å; F54-W73 HydrophobicContact CB-CD2 4.45Å; F54-W73 HydrophobicContact CB-CE3 3.85Å; F54-W73 HydrophobicContact CD1-CB 4.41Å; F54-Y74 CarbonylContact C-O 3.53Å; F54-Y74 VanDerWaalsContact CA-O 3.29Å; F54-Y74 WeakPolarHBondContact CA-O 3.47Å; F54-E75 HydrophobicContact CD1-CB 3.99Å; F54-E75 HydrophobicContact CD1-CG 4.35Å; F54-E75 HydrophobicContact CE1-CB 3.81Å; F54-E75 HydrophobicContact CE1-CG 3.9Å; F54-E75 HydrophobicContact CZ-CG 4.31Å; F54-F105 CarbonylContact O-C 3.58Å; F54-F105 WeakPolarHBondContact O-CA 3.22Å; F54-V106 HydrophobicContact CB-CG1 3.83Å; F54-V106 HydrophobicContact CD2-CG1 4.43Å; F54-V106 PolarHBondContact N-O 2.79Å; F54-V106 PolarHBondContact O-N 3.34Å; F54-M108 HydrophobicContact CD2-CE 3.8Å; F54-M108 HydrophobicContact CE2-CE 3.39Å; F54-M108 HydrophobicContact CZ-CE 4.3Å; F54-F115 HydrophobicContact CB-CE1 4.47Å; F54-F115 HydrophobicContact CD1-CZ 4.3Å; F54-F115 HydrophobicContact CD2-CE1 4.43Å; F54-F115 AromaticContact CD2-CZ 3.99Å; F54-F115 HydrophobicContact CD2-CZ 3.99Å; F54-F115 HydrophobicContact CE2-CZ 4.23Å; F54-F115 HydrophobicContact CG-CE1 4.38Å; F54-F115 HydrophobicContact CG-CZ 4.03Å; F54-F115 HydrophobicContact CZ-CZ 4.49Å |
| 55 | T | 95.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.6 | 174.4 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | H57 L59 Y74 V76 K104 | T55-H57 VanDerWaalsContact C-N 3.26Å; T55-H57 HydrophobicContact CG2-CB 4.14Å; T55-H57 WeakPolarHBondContact CG2-O 3.47Å; T55-H57 PolarHBondContact OG1-N 2.82Å; T55-H57 VanDerWaalsContact OG1-N 3.14Å; T55-L59 HydrophobicContact CG2-CD1 4.44Å; T55-L59 HydrophobicContact CG2-CD2 4.29Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; T55-Y74 PolarHBondContact N-O 3.49Å; T55-Y74 PolarHBondContact O-N 3.02Å; T55-V76 HydrophobicContact CG2-CG2 3.45Å; T55-V76 VanDerWaalsContact CG2-CG2 3.45Å; T55-K104 CarbonylContact C-O 3.57Å; T55-K104 WeakPolarHBondContact CA-O 3.34Å; T55-K104 PolarHBondContact OG1-O 3.28Å |
| 56 | T | 94.1 | Very high | 86.7 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -82.3 | -10 | 168.5 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | R58 V71 W73 Q103 K104 | T56-R58 PolarHBondContact O-N 3.12Å; T56-V71 HydrophobicContact CG2-CG1 3.54Å; T56-W73 HydrophobicContact CG2-CD2 4.23Å; T56-W73 HydrophobicContact CG2-CE3 3.95Å; T56-W73 HydrophobicContact CG2-CH2 4.22Å; T56-W73 HydrophobicContact CG2-CZ2 4.47Å; T56-W73 HydrophobicContact CG2-CZ3 3.94Å; T56-Q103 VanDerWaalsContact C-OE1 3.28Å; T56-Q103 PolarHBondContact O-OE1 3.04Å; T56-Q103 WeakPolarHBondContact OG1-CA 3.26Å; T56-Q103 PolarHBondContact OG1-OE1 2.78Å; T56-Q103 VanDerWaalsContact OG1-OE1 3.09Å; T56-K104 HydrophobicContact CG2-CB 3.86Å; T56-K104 HydrophobicContact CG2-CG 4.1Å; T56-K104 PolarHBondContact N-O 3.39Å; T56-K104 PolarHBondContact OG1-N 2.72Å |
| 57 | H | 93.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -69.4 | 129.7 | 177.1 | -165.5 | 68.6 | 0 | 0 | 0 | 110.3 | T55 L59 Y74 V95 L96 S98 E99 Q103 F124 | T55-H57 VanDerWaalsContact C-N 3.26Å; T55-H57 HydrophobicContact CG2-CB 4.14Å; T55-H57 WeakPolarHBondContact CG2-O 3.47Å; T55-H57 PolarHBondContact OG1-N 2.82Å; T55-H57 VanDerWaalsContact OG1-N 3.14Å; H57-L59 PolarHBondContact O-N 3.24Å; H57-Y74 WeakPolarHBondContact O-CD2 3.38Å; H57-V95 HydrophobicContact CB-CG1 4.31Å; H57-L96 PolarHBondContact NE2-O 3.34Å; H57-S98 PolarHBondContact CE1-N 3.4Å; H57-S98 PolarHBondContact NE2-N 2.87Å; H57-S98 PolarHBondContact NE2-OG 3.39Å; H57-E99 PolarHBondContact CE1-N 2.86Å; H57-Q103 HydrophobicContact CB-CB 4.3Å; H57-Q103 HydrophobicContact CB-CG 4.02Å; H57-Q103 VanDerWaalsContact N-OE1 3.12Å; H57-Q103 PolarHBondContact ND1-NE2 2.88Å; H57-F124 HydrophobicContact CB-CZ 3.95Å |
| 58 | R | 89.8 | Confident | 86.1 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 49% | 0.494 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -63 | 127.2 | 179.2 | -167.9 | 177 | -172.1 | 175.8 | 1 | 110.4 | T56 Y74 E99 | T56-R58 PolarHBondContact O-N 3.12Å; R58-Y74 HydrophobicContact CB-CE2 4.31Å; R58-Y74 HydrophobicContact CG-CE1 4.5Å; R58-E99 VanDerWaalsContact CD-OE1 3.27Å; R58-E99 WeakPolarHBondContact CD-OE1 3.41Å; R58-E99 IonicContact NH1-OE1 2.71Å |
| 59 | L | 86 | Confident | 85.7 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 161.5 | 175.6 | -59.5 | -179.5 | 0 | 0 | 0 | 110.5 | T55 H57 A63 V76 V95 | T55-L59 HydrophobicContact CG2-CD1 4.44Å; T55-L59 HydrophobicContact CG2-CD2 4.29Å; T55-L59 HydrophobicContact CG2-CG 4.38Å; H57-L59 PolarHBondContact O-N 3.24Å; L59-A63 HydrophobicContact CB-CB 3.82Å; L59-A63 HydrophobicContact CD1-CB 3.93Å; L59-A63 HydrophobicContact CG-CB 4.47Å; L59-V76 HydrophobicContact CD1-CG2 4Å; L59-V95 HydrophobicContact CD2-CG1 3.99Å; L59-V95 HydrophobicContact CD2-CG2 4.19Å |
| 60 | P | 74.9 | Confident | 85.2 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 73% | 0.734 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -54.8 | 156 | 175.3 | -23.4 | 33.2 | 0 | 0 | 0 | 113.2 | Q62 | P60-Q62 PolarHBondContact O-N 2.88Š|
| 61 | D | 59.9 | Low | 85 | Confident | 144 Ų | 144 | 72 Ų | 72 | 77% | 0.77 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 99 | -176.6 | -68.9 | -30.9 | 0 | 0 | 0 | 111.6 | ||
| 62 | Q | 64.7 | Low | 85 | Confident | 199 Ų | 199 | 74.3 Ų | 74.3 | 93% | 0.93 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 157.6 | -7 | 166.4 | -91.1 | 162.4 | 36.4 | 0 | 0 | 113.1 | P60 | P60-Q62 PolarHBondContact O-N 2.88Š|
| 63 | A | 74.8 | Confident | 85 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | trans | -66.4 | 137.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L59 T65 | L59-A63 HydrophobicContact CB-CB 3.82Å; L59-A63 HydrophobicContact CD1-CB 3.93Å; L59-A63 HydrophobicContact CG-CB 4.47Å; A63-T65 PolarHBondContact O-N 2.6Å; A63-T65 PolarHBondContact O-OG1 3.41Å | ||
| 64 | K | 82.7 | Confident | 85 | Confident | 151 Ų | 151 | 74.4 Ų | 74.4 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | trans | -61.7 | 130.9 | 170.4 | -75.6 | 174.4 | 178.3 | 174.8 | 0 | 109.2 | E75 | K64-E75 HydrophobicContact CB-CB 4.09Å; K64-E75 WeakPolarHBondContact CD-OE2 3.47Å; K64-E75 PolarHBondContact O-N 3.49Å | ||
| 65 | T | 88.1 | Confident | 84.9 | Confident | 82 Ų | 82 | 76.2 Ų | 76.2 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136.3 | -177.6 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | A63 T72 W73 Y74 | A63-T65 PolarHBondContact O-N 2.6Å; A63-T65 PolarHBondContact O-OG1 3.41Å; T65-T72 HydrophobicContact CG2-CG2 3.34Å; T65-W73 CarbonylContact C-O 3.52Å; T65-W73 WeakPolarHBondContact CA-O 3.44Å; T65-Y74 HydrophobicContact CG2-CD1 4.42Å; T65-Y74 HydrophobicContact CG2-CE1 4.17Å |
| 66 | L | 88.7 | Confident | 84.8 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.3 | 177 | -179.3 | 70.4 | 0 | 0 | 0 | 109.2 | V68 W73 F115 | L66-V68 HydrophobicContact CD2-CG2 3.67Å; L66-V68 HydrophobicContact CG-CG2 3.84Å; L66-W73 PolarHBondContact N-O 2.87Å; L66-W73 PolarHBondContact O-N 2.93Å; L66-F115 HydrophobicContact CD2-CE2 3.48Å; L66-F115 VanDerWaalsContact CD2-CE2 3.48Å; L66-F115 HydrophobicContact CD2-CZ 3.68Å |
| 67 | V | 88.5 | Confident | 84.7 | Confident | 97 Ų | 97 | 83.3 Ų | 83.3 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | V71 | V67-V71 WeakPolarHBondContact CA-O 3.43Å |
| 68 | V | 84.5 | Confident | 84.5 | Confident | 54 Ų | 54 | 84.1 Ų | 84.1 | 33% | 0.327 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 113.3 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | L66 N70 V71 F115 | L66-V68 HydrophobicContact CD2-CG2 3.67Å; L66-V68 HydrophobicContact CG-CG2 3.84Å; V68-N70 PolarHBondContact O-N 3.12Å; V68-V71 PolarHBondContact N-O 3.09Å; V68-V71 PolarHBondContact O-N 3.3Å; V68-V71 VanDerWaalsContact O-N 3.15Å; V68-F115 HydrophobicContact CG1-CB 4.29Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD2 4.02Å; V68-F115 HydrophobicContact CG2-CE1 4.5Å; V68-F115 HydrophobicContact CG2-CE2 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.27Å; V68-F115 HydrophobicContact CG2-CZ 4.28Å |
| 69 | G | 81.6 | Confident | 84.3 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 68% | 0.68 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -123.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 70 | N | 79.6 | Confident | 84.1 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 92% | 0.92 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 15.8 | 178 | -66.3 | -20 | 0 | 0 | 0 | 113.4 | V68 | V68-N70 PolarHBondContact O-N 3.12Š|
| 71 | V | 85.3 | Confident | 84.2 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.8 | -176 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | T56 V67 V68 W73 | T56-V71 HydrophobicContact CG2-CG1 3.54Å; V67-V71 WeakPolarHBondContact CA-O 3.43Å; V68-V71 PolarHBondContact N-O 3.09Å; V68-V71 PolarHBondContact O-N 3.3Å; V68-V71 VanDerWaalsContact O-N 3.15Å; V71-W73 HydrophobicContact CG1-CD2 4.32Å; V71-W73 HydrophobicContact CG1-CZ2 4.16Å |
| 72 | T | 91 | Very high | 85.1 | Confident | 59 Ų | 59 | 70.1 Ų | 70.1 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.1 | 171.2 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | T65 Y74 | T65-T72 HydrophobicContact CG2-CG2 3.34Å; T72-Y74 HydrophobicContact CG2-CE2 4.16Å |
| 73 | W | 93.4 | Very high | 85.7 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.9 | 178.2 | -65 | 94.2 | 0 | 0 | 0 | 110.2 | F54 T56 T65 L66 V71 K104 V106 F115 | F54-W73 HydrophobicContact CB-CB 4.29Å; F54-W73 HydrophobicContact CB-CD2 4.45Å; F54-W73 HydrophobicContact CB-CE3 3.85Å; F54-W73 HydrophobicContact CD1-CB 4.41Å; T56-W73 HydrophobicContact CG2-CD2 4.23Å; T56-W73 HydrophobicContact CG2-CE3 3.95Å; T56-W73 HydrophobicContact CG2-CH2 4.22Å; T56-W73 HydrophobicContact CG2-CZ2 4.47Å; T56-W73 HydrophobicContact CG2-CZ3 3.94Å; T65-W73 CarbonylContact C-O 3.52Å; T65-W73 WeakPolarHBondContact CA-O 3.44Å; L66-W73 PolarHBondContact N-O 2.87Å; L66-W73 PolarHBondContact O-N 2.93Å; V71-W73 HydrophobicContact CG1-CD2 4.32Å; V71-W73 HydrophobicContact CG1-CZ2 4.16Å; W73-K104 HydrophobicContact CH2-CB 3.78Å; W73-K104 HydrophobicContact CH2-CD 4.38Å; W73-K104 HydrophobicContact CZ3-CB 3.99Å; W73-V106 HydrophobicContact CD2-CG1 4.47Å; W73-V106 HydrophobicContact CE3-CG1 3.87Å; W73-V106 HydrophobicContact CH2-CB 4.17Å; W73-V106 HydrophobicContact CH2-CG1 3.76Å; W73-V106 HydrophobicContact CZ2-CG1 4.37Å; W73-V106 HydrophobicContact CZ3-CB 4.13Å; W73-V106 HydrophobicContact CZ3-CG1 3.49Å; W73-V106 VanDerWaalsContact CZ3-CG1 3.49Å; W73-F115 AromaticContact CD2-CE1 3.89Å; W73-F115 HydrophobicContact CD2-CE1 3.89Å; W73-F115 AromaticContact CE2-CE1 3.91Å; W73-F115 HydrophobicContact CE3-CE1 4.46Å; W73-F115 AromaticContact CG-CE1 3.98Å; W73-F115 HydrophobicContact CG-CE1 3.98Å; W73-F115 HydrophobicContact CZ2-CD1 4.36Å; W73-F115 HydrophobicContact CZ2-CE1 4.46Å; W73-F115 AromaticContact NE1-CE1 3.98Å |
| 74 | Y | 94.5 | Very high | 85.6 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 173.9 | -58.5 | -84.9 | 0 | 0 | 0 | 108.9 | F54 T55 H57 R58 T65 T72 V76 | F54-Y74 CarbonylContact C-O 3.53Å; F54-Y74 VanDerWaalsContact CA-O 3.29Å; F54-Y74 WeakPolarHBondContact CA-O 3.47Å; T55-Y74 PolarHBondContact N-O 3.49Å; T55-Y74 PolarHBondContact O-N 3.02Å; H57-Y74 WeakPolarHBondContact O-CD2 3.38Å; R58-Y74 HydrophobicContact CB-CE2 4.31Å; R58-Y74 HydrophobicContact CG-CE1 4.5Å; T65-Y74 HydrophobicContact CG2-CD1 4.42Å; T65-Y74 HydrophobicContact CG2-CE1 4.17Å; T72-Y74 HydrophobicContact CG2-CE2 4.16Å; Y74-V76 PolarHBondContact O-N 3.12Å |
| 75 | E | 93.5 | Very high | 85 | Confident | 55 Ų | 55 | 64 Ų | 64 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.3 | 175.2 | -169.1 | 178.6 | 166.9 | 0 | 0 | 109.6 | F54 K64 | F54-E75 HydrophobicContact CD1-CB 3.99Å; F54-E75 HydrophobicContact CD1-CG 4.35Å; F54-E75 HydrophobicContact CE1-CB 3.81Å; F54-E75 HydrophobicContact CE1-CG 3.9Å; F54-E75 HydrophobicContact CZ-CG 4.31Å; K64-E75 HydrophobicContact CB-CB 4.09Å; K64-E75 WeakPolarHBondContact CD-OE2 3.47Å; K64-E75 PolarHBondContact O-N 3.49Å |
| 76 | V | 93 | Very high | 84.4 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.5 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 108 | L53 T55 L59 Y74 L78 A93 V95 | L53-V76 HydrophobicContact CB-CB 4.17Å; L53-V76 HydrophobicContact CD2-CB 3.8Å; L53-V76 HydrophobicContact CD2-CG1 3.9Å; L53-V76 HydrophobicContact CD2-CG2 4.22Å; L53-V76 HydrophobicContact CG-CB 3.91Å; L53-V76 HydrophobicContact CG-CG2 4.19Å; L53-V76 PolarHBondContact O-N 2.72Å; T55-V76 HydrophobicContact CG2-CG2 3.45Å; T55-V76 VanDerWaalsContact CG2-CG2 3.45Å; L59-V76 HydrophobicContact CD1-CG2 4Å; Y74-V76 PolarHBondContact O-N 3.12Å; V76-L78 PolarHBondContact O-N 3.27Å; V76-A93 HydrophobicContact CG1-CB 3.34Å; V76-V95 HydrophobicContact CG1-CG2 4.14Å; V76-V95 HydrophobicContact CG2-CG2 4.26Å |
| 77 | H | 90.8 | Very high | 84 | Confident | 164 Ų | 164 | 58.8 Ų | 58.8 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | trans | -79.9 | 113.9 | 179 | -170.5 | 47.6 | 0 | 0 | 0 | 111.1 | G79 A93 | H77-G79 PolarHBondContact O-N 3.04Å; H77-A93 WeakPolarHBondContact O-CB 3.39Å | ||
| 78 | L | 90.1 | Very high | 83.7 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | trans | -74.5 | 108.3 | 174.8 | -67.4 | 170 | 0 | 0 | 0 | 110.2 | V42 V51 L53 V76 R91 A93 | V42-L78 HydrophobicContact CG2-CD1 3.76Å; V51-L78 HydrophobicContact CB-CD1 4.01Å; V51-L78 HydrophobicContact CG1-CD1 3.91Å; L53-L78 HydrophobicContact CB-CD1 4.5Å; L53-L78 HydrophobicContact CD2-CD2 4.22Å; V76-L78 PolarHBondContact O-N 3.27Å; L78-R91 HydrophobicContact CB-CB 4.27Å; L78-A93 HydrophobicContact CD2-CB 4.02Å | ||
| 79 | G | 86 | Confident | 83.9 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 163.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H77 G81 R91 F92 | H77-G79 PolarHBondContact O-N 3.04Å; G79-G81 PolarHBondContact O-N 3.25Å; G79-R91 VanDerWaalsContact O-CA 3.22Å; G79-R91 WeakPolarHBondContact O-CA 3.49Å; G79-F92 PolarHBondContact N-O 2.97Å; G79-F92 PolarHBondContact O-N 2.74Å |
| 80 | S | 81.6 | Confident | 84 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.4 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 110 | S82 | S80-S82 VanDerWaalsContact C-N 3.25Å; S80-S82 PolarHBondContact OG-N 2.84Å; S80-S82 PolarHBondContact OG-O 3.2Å |
| 81 | G | 75.8 | Confident | 84.5 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 24% | 0.237 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -86.9 | 3.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G79 C90 | G79-G81 PolarHBondContact O-N 3.25Å; G81-C90 WeakPolarHBondContact CA-O 3.37Å; G81-C90 PolarHBondContact N-O 3.25Å |
| 82 | S | 79.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -112 | 140.8 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | S80 N84 Q1073 G1074 | S80-S82 VanDerWaalsContact C-N 3.25Å; S80-S82 PolarHBondContact OG-N 2.84Å; S80-S82 PolarHBondContact OG-O 3.2Å; S82-N84 PolarHBondContact O-N 3.49Å; S82-N84 VanDerWaalsContact OG-CB 3.32Å; S82-N84 WeakPolarHBondContact OG-CB 3.34Å; S82-N84 PolarHBondContact OG-N 2.84Å; S82-N84 PolarHBondContact OG-O 3.22Å; S82-Q1073 WeakPolarHBondContact CA-O 3.42Å; S82-Q1073 PolarHBondContact OG-O 2.95Å; S82-G1074 VanDerWaalsContact OG-CA 3.28Å; S82-G1074 WeakPolarHBondContact OG-CA 3.42Å |
| 83 | A | 75.9 | Confident | 84.8 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 60% | 0.603 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -73.9 | -9.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1073 | A83-Q1073 HydrophobicContact CB-CB 3.93Å; A83-Q1073 HydrophobicContact CB-CG 4.1Å; A83-Q1073 PolarHBondContact N-O 2.83Å |
| 84 | N | 73.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -82.7 | 109.2 | 163.8 | -173.7 | -20.3 | 0 | 0 | 0 | 109.2 | S82 H86 D87 D1577 | S82-N84 PolarHBondContact O-N 3.49Å; S82-N84 VanDerWaalsContact OG-CB 3.32Å; S82-N84 WeakPolarHBondContact OG-CB 3.34Å; S82-N84 PolarHBondContact OG-N 2.84Å; S82-N84 PolarHBondContact OG-O 3.22Å; N84-H86 PolarHBondContact O-N 3.46Å; N84-H86 PolarHBondContact OD1-N 3.33Å; N84-H86 VanDerWaalsContact OD1-N 3.08Å; N84-D87 HydrophobicContact CB-CB 3.93Å; N84-D87 PolarHBondContact O-N 2.99Å; N84-D87 VanDerWaalsContact O-N 3.08Å; N84-D1577 PolarHBondContact ND2-OD1 3.36Å; N84-D1577 PolarHBondContact ND2-OD2 3.33Å; N84-D1577 PolarHBondContact OD1-OD1 3.47Å |
| 85 | E | 69.5 | Low | 84.6 | Confident | 159 Ų | 159 | 43.3 Ų | 43.3 | 74% | 0.743 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.5 | -177.2 | -65.2 | -173.2 | 175.5 | 0 | 0 | 113.9 | ||
| 86 | H | 75.5 | Confident | 84.6 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.7 | -178.1 | -54 | -44 | 0 | 0 | 0 | 113.2 | N84 T88 D1577 E1580 | N84-H86 PolarHBondContact O-N 3.46Å; N84-H86 PolarHBondContact OD1-N 3.33Å; N84-H86 VanDerWaalsContact OD1-N 3.08Å; H86-T88 PolarHBondContact O-N 2.92Å; H86-D1577 IonicContact CD2-OD1 3.05Å; H86-E1580 HydrophobicContact CB-CB 4.4Å; H86-E1580 VanDerWaalsContact CD2-CB 3.41Å; H86-E1580 WeakPolarHBondContact CD2-CB 3.46Å; H86-E1580 WeakPolarHBondContact NE2-CB 3.29Å |
| 87 | D | 81.4 | Confident | 84.5 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | trans | -84.8 | 86.3 | 171.4 | -175.4 | -16.6 | 0 | 0 | 0 | 110.3 | N84 F89 G1074 S1075 | N84-D87 HydrophobicContact CB-CB 3.93Å; N84-D87 PolarHBondContact O-N 2.99Å; N84-D87 VanDerWaalsContact O-N 3.08Å; D87-F89 VanDerWaalsContact C-N 3.27Å; D87-F89 PolarHBondContact O-N 3.35Å; D87-F89 WeakPolarHBondContact OD1-CB 3.49Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F89 PolarHBondContact OD1-N 3.34Å; D87-F89 VanDerWaalsContact OD1-N 3.11Å; D87-G1074 WeakPolarHBondContact OD2-CA 3.22Å; D87-S1075 VanDerWaalsContact CG-OG 3.3Å; D87-S1075 WeakPolarHBondContact OD1-CB 3.5Å; D87-S1075 PolarHBondContact OD1-OG 3.11Å; D87-S1075 VanDerWaalsContact OD2-CB 3.27Å; D87-S1075 WeakPolarHBondContact OD2-CB 3.27Å; D87-S1075 PolarHBondContact OD2-N 3.35Å; D87-S1075 PolarHBondContact OD2-OG 3.05Å | ||
| 88 | T | 82.2 | Confident | 84.5 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 12.9 | 178.5 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | H86 C90 Q1526 | H86-T88 PolarHBondContact O-N 2.92Å; T88-C90 PolarHBondContact O-N 2.98Å; T88-Q1526 VanDerWaalsContact OG1-CD 3.24Å; T88-Q1526 PolarHBondContact OG1-NE2 3.24Å; T88-Q1526 PolarHBondContact OG1-OE1 2.9Å; T88-Q1526 VanDerWaalsContact OG1-OE1 3.11Å |
| 89 | F | 87.5 | Confident | 84.5 | Confident | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14.3 | 177.9 | -55 | -61 | 0 | 0 | 0 | 112.4 | F47 D87 F1077 Q1526 L1529 L1576 | F47-F89 AromaticContact CD2-CD1 3.53Å; F47-F89 HydrophobicContact CD2-CD1 3.53Å; F47-F89 HydrophobicContact CD2-CE1 4.18Å; F47-F89 HydrophobicContact CD2-CG 4.44Å; F47-F89 HydrophobicContact CE1-CB 4.23Å; F47-F89 WeakPolarHBondContact CE1-O 3.36Å; F47-F89 HydrophobicContact CE2-CB 4Å; F47-F89 AromaticContact CE2-CD1 3.69Å; F47-F89 HydrophobicContact CE2-CD1 3.69Å; F47-F89 HydrophobicContact CE2-CG 4.18Å; F47-F89 HydrophobicContact CG-CD1 4Å; F47-F89 HydrophobicContact CZ-CB 3.8Å; F47-F89 HydrophobicContact CZ-CD1 4.29Å; F47-F89 HydrophobicContact CZ-CG 4.47Å; F47-F89 WeakPolarHBondContact CZ-O 3.33Å; D87-F89 VanDerWaalsContact C-N 3.27Å; D87-F89 PolarHBondContact O-N 3.35Å; D87-F89 WeakPolarHBondContact OD1-CB 3.49Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F89 PolarHBondContact OD1-N 3.34Å; D87-F89 VanDerWaalsContact OD1-N 3.11Å; F89-F1077 HydrophobicContact CB-CB 4.42Å; F89-F1077 HydrophobicContact CB-CD1 4.41Å; F89-F1077 HydrophobicContact CD1-CD1 4.3Å; F89-F1077 AromaticContact CD2-CD1 3.83Å; F89-F1077 HydrophobicContact CD2-CD1 3.83Å; F89-F1077 HydrophobicContact CD2-CE1 4.47Å; F89-F1077 HydrophobicContact CE2-CD1 4.17Å; F89-F1077 HydrophobicContact CE2-CE1 4.37Å; F89-F1077 AromaticContact CG-CD1 3.93Å; F89-F1077 HydrophobicContact CG-CD1 3.93Å; F89-F1077 HydrophobicContact CZ-CE1 4.43Å; F89-Q1526 HydrophobicContact CE1-CB 3.98Å; F89-Q1526 HydrophobicContact CE1-CG 3.79Å; F89-Q1526 HydrophobicContact CZ-CG 4.09Å; F89-L1529 HydrophobicContact CE1-CB 4.3Å; F89-L1529 HydrophobicContact CE1-CD1 3.88Å; F89-L1529 HydrophobicContact CZ-CD1 3.52Å; F89-L1576 HydrophobicContact CZ-CD1 3.93Å |
| 90 | C | 83 | Confident | 84.9 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | trans | -124.6 | 104 | 171.4 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | G81 T88 | G81-C90 WeakPolarHBondContact CA-O 3.37Å; G81-C90 PolarHBondContact N-O 3.25Å; T88-C90 PolarHBondContact O-N 2.98Å | ||
| 91 | R | 90.1 | Very high | 85.4 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.5 | 169.2 | -63.8 | -177.2 | -57.8 | -176.2 | -0.7 | 108.7 | V42 Y49 L78 G79 | V42-R91 HydrophobicContact CB-CB 4.38Å; V42-R91 HydrophobicContact CG2-CB 3.91Å; V42-R91 PolarHBondContact N-O 2.94Å; Y49-R91 PolarHBondContact O-NH1 2.86Å; Y49-R91 VanDerWaalsContact O-NH1 3.13Å; Y49-R91 PolarHBondContact O-NH2 2.9Å; L78-R91 HydrophobicContact CB-CB 4.27Å; G79-R91 VanDerWaalsContact O-CA 3.22Å; G79-R91 WeakPolarHBondContact O-CA 3.49Å |
| 92 | F | 91.7 | Very high | 86.4 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 20% | 0.202 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 164.9 | 179.3 | 70.4 | -100.6 | 0 | 0 | 0 | 112.5 | R39 F40 E41 G79 | R39-F92 HydrophobicContact CG-CB 3.82Å; R39-F92 HydrophobicContact CG-CD2 3.97Å; R39-F92 HydrophobicContact CG-CG 4.09Å; R39-F92 VanDerWaalsContact CZ-CD2 3.47Å; R39-F92 VanDerWaalsContact CZ-CZ 3.5Å; F40-F92 CarbonylContact O-C 3.32Å; F40-F92 WeakPolarHBondContact O-CA 3.27Å; F40-F92 WeakPolarHBondContact O-CB 3.36Å; E41-F92 HydrophobicContact CB-CB 4.31Å; E41-F92 HydrophobicContact CG-CB 4.49Å; G79-F92 PolarHBondContact N-O 2.97Å; G79-F92 PolarHBondContact O-N 2.74Å |
| 93 | A | 92 | Very high | 87.1 | Confident | 9 Ų | 9 | 40 Ų | 40 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R39 F40 V76 H77 L78 | R39-A93 CarbonylContact C-O 3.56Å; R39-A93 WeakPolarHBondContact CA-O 3.39Å; F40-A93 PolarHBondContact N-O 3.07Å; F40-A93 PolarHBondContact O-N 2.79Å; V76-A93 HydrophobicContact CG1-CB 3.34Å; H77-A93 WeakPolarHBondContact O-CB 3.39Å; L78-A93 HydrophobicContact CD2-CB 4.02Å |
| 94 | D | 91.4 | Very high | 88 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.5 | 175.9 | -64.6 | -22.6 | 0 | 0 | 0 | 109.5 | V38 R39 | V38-D94 WeakPolarHBondContact O-CA 3.4Å; R39-D94 WeakPolarHBondContact CA-OD1 3.2Å; R39-D94 WeakPolarHBondContact CB-OD1 3.43Å; R39-D94 VanDerWaalsContact CG-OD1 3.3Å; R39-D94 WeakPolarHBondContact CG-OD1 3.46Å; R39-D94 IonicContact CZ-OD1 2.73Å; R39-D94 IonicContact CZ-OD2 3.77Å; R39-D94 IonicContact NE-OD1 3.37Å; R39-D94 PolarHBondContact NE-OD1 3.01Å; R39-D94 IonicContact NE-OD2 2.83Å; R39-D94 IonicContact NH2-OD1 2.75Å; R39-D94 PolarHBondContact NH2-OD1 2.82Å; R39-D94 IonicContact NH2-OD2 3.73Å; R39-D94 PolarHBondContact NH2-OD2 3.21Å |
| 95 | V | 92.4 | Very high | 89 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.3 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | A37 V38 F40 H57 L59 V76 | A37-V95 CarbonylContact C-O 3.54Å; A37-V95 VanDerWaalsContact CA-O 3.31Å; A37-V95 WeakPolarHBondContact CA-O 3.39Å; V38-V95 HydrophobicContact CG1-CB 3.84Å; V38-V95 HydrophobicContact CG1-CG1 4.46Å; V38-V95 PolarHBondContact N-O 3.37Å; V38-V95 PolarHBondContact O-N 2.97Å; F40-V95 HydrophobicContact CD2-CG2 4.07Å; F40-V95 HydrophobicContact CE2-CB 4.29Å; F40-V95 HydrophobicContact CE2-CG2 3.83Å; H57-V95 HydrophobicContact CB-CG1 4.31Å; L59-V95 HydrophobicContact CD2-CG1 3.99Å; L59-V95 HydrophobicContact CD2-CG2 4.19Å; V76-V95 HydrophobicContact CG1-CG2 4.14Å; V76-V95 HydrophobicContact CG2-CG2 4.26Å |
| 96 | L | 92.5 | Very high | 90.3 | Very high | 102 Ų | 102 | 30.4 Ų | 30.4 | 53% | 0.534 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.5 | 176.7 | -178.1 | 68.7 | 0 | 0 | 0 | 110.2 | G35 H57 S98 | G35-L96 WeakPolarHBondContact O-CD1 3.44Å; H57-L96 PolarHBondContact NE2-O 3.34Å; L96-S98 PolarHBondContact O-N 3.19Å; L96-S98 VanDerWaalsContact O-N 3.16Å |
| 97 | C | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -76.2 | 100.8 | -179.6 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | K34 G35 W36 V126 | K34-C97 WeakPolarHBondContact CA-O 3.26Å; G35-C97 PolarHBondContact N-O 2.88Å; W36-C97 VanDerWaalsContact O-CB 3.24Å; W36-C97 WeakPolarHBondContact O-CB 3.49Å; W36-C97 PolarHBondContact O-N 3.48Å; W36-C97 PolarHBondContact O-SG 3.17Å; C97-V126 HydrophobicContact CB-CG1 3.99Å; C97-V126 HydrophobicContact CB-CG2 3.76Å | ||
| 98 | S | 90.3 | Very high | 91.7 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 41% | 0.413 | 16% | 0.156 | S | C | . | . | trans | -110.8 | -43.1 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 114 | K34 H57 L96 | K34-S98 WeakPolarHBondContact CE-O 3.29Å; H57-S98 PolarHBondContact CE1-N 3.4Å; H57-S98 PolarHBondContact NE2-N 2.87Å; H57-S98 PolarHBondContact NE2-OG 3.39Å; L96-S98 PolarHBondContact O-N 3.19Å; L96-S98 VanDerWaalsContact O-N 3.16Å | ||
| 99 | E | 90.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 26.8 Ų | 26.8 | 37% | 0.374 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -99.8 | 129.3 | -179.6 | -64.1 | -178.9 | 171.7 | 0 | 0 | 112.2 | H57 R58 V126 | H57-E99 PolarHBondContact CE1-N 2.86Å; R58-E99 VanDerWaalsContact CD-OE1 3.27Å; R58-E99 WeakPolarHBondContact CD-OE1 3.41Å; R58-E99 IonicContact NH1-OE1 2.71Å; E99-V126 WeakPolarHBondContact O-CB 3.39Å; E99-V126 WeakPolarHBondContact O-CG1 3.48Å |
| 100 | A | 93.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | trans | -68.7 | 152.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V126 P128 | A100-V126 CarbonylContact C-O 3.55Å; A100-V126 WeakPolarHBondContact CA-O 3.43Å; A100-P128 HydrophobicContact CB-CB 4.2Å | ||
| 101 | G | 93.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.6 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V126 | G101-V126 PolarHBondContact N-O 3.19Å; G101-V126 PolarHBondContact O-N 3.41Å |
| 102 | P | 95 | Very high | 89.3 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 124.7 | -177.6 | 31.7 | -31.7 | 0 | 0 | 0 | 111.1 | Q125 N602 | P102-Q125 HydrophobicContact CB-CG 4.44Å; P102-N602 WeakPolarHBondContact CB-O 3.24Å |
| 103 | Q | 94.7 | Very high | 88.2 | Confident | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.8 | 177.1 | -53.9 | -59.9 | -18.1 | 0 | 0 | 109.9 | T56 H57 Y123 F124 V126 | T56-Q103 VanDerWaalsContact C-OE1 3.28Å; T56-Q103 PolarHBondContact O-OE1 3.04Å; T56-Q103 WeakPolarHBondContact OG1-CA 3.26Å; T56-Q103 PolarHBondContact OG1-OE1 2.78Å; T56-Q103 VanDerWaalsContact OG1-OE1 3.09Å; H57-Q103 HydrophobicContact CB-CB 4.3Å; H57-Q103 HydrophobicContact CB-CG 4.02Å; H57-Q103 VanDerWaalsContact N-OE1 3.12Å; H57-Q103 PolarHBondContact ND1-NE2 2.88Å; Q103-Y123 CarbonylContact O-C 3.56Å; Q103-Y123 WeakPolarHBondContact O-CA 3.34Å; Q103-F124 WeakPolarHBondContact CA-O 3.49Å; Q103-F124 HydrophobicContact CB-CD1 4.05Å; Q103-F124 HydrophobicContact CB-CD2 3.9Å; Q103-F124 HydrophobicContact CB-CE1 3.66Å; Q103-F124 HydrophobicContact CB-CE2 3.52Å; Q103-F124 HydrophobicContact CB-CG 4.17Å; Q103-F124 HydrophobicContact CB-CZ 3.39Å; Q103-F124 WeakPolarHBondContact CB-O 3.41Å; Q103-F124 HydrophobicContact CG-CD2 4.2Å; Q103-F124 HydrophobicContact CG-CE2 3.67Å; Q103-F124 HydrophobicContact CG-CZ 3.93Å; Q103-F124 PolarHBondContact N-O 3.41Å; Q103-F124 PolarHBondContact O-N 3.43Å; Q103-F124 VanDerWaalsContact O-O 3.13Å; Q103-V126 HydrophobicContact CG-CG2 4.18Å |
| 104 | K | 95.1 | Very high | 87.7 | Confident | 47 Ų | 47 | 41.7 Ų | 41.7 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 147.6 | 174.9 | -46.2 | -168.4 | -176.5 | -175.1 | 0 | 109.4 | T55 T56 W73 G122 Y123 | T55-K104 CarbonylContact C-O 3.57Å; T55-K104 WeakPolarHBondContact CA-O 3.34Å; T55-K104 PolarHBondContact OG1-O 3.28Å; T56-K104 HydrophobicContact CG2-CB 3.86Å; T56-K104 HydrophobicContact CG2-CG 4.1Å; T56-K104 PolarHBondContact N-O 3.39Å; T56-K104 PolarHBondContact OG1-N 2.72Å; W73-K104 HydrophobicContact CH2-CB 3.78Å; W73-K104 HydrophobicContact CH2-CD 4.38Å; W73-K104 HydrophobicContact CZ3-CB 3.99Å; K104-G122 WeakPolarHBondContact CA-O 3.43Å; K104-Y123 HydrophobicContact CB-CE1 4.5Å; K104-Y123 HydrophobicContact CD-CE1 3.73Å; K104-Y123 VanDerWaalsContact CE-OH 3.23Å; K104-Y123 WeakPolarHBondContact CE-OH 3.43Å; K104-Y123 HydrophobicContact CG-CD1 3.86Å; K104-Y123 HydrophobicContact CG-CE1 3.45Å; K104-Y123 VanDerWaalsContact CG-CE1 3.45Å; K104-Y123 PolarHBondContact NZ-OH 2.95Å |
| 105 | F | 95.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.1 | 163.7 | 69.1 | -86.9 | 0 | 0 | 0 | 110.2 | L17 L19 Y25 F40 L53 F54 F121 G122 F124 | L17-F105 HydrophobicContact CD2-CE1 3.71Å; L17-F105 HydrophobicContact CD2-CE2 4.05Å; L17-F105 HydrophobicContact CD2-CZ 3.43Å; L17-F105 VanDerWaalsContact CD2-CZ 3.43Å; L19-F105 HydrophobicContact CD2-CD2 4.43Å; L19-F105 HydrophobicContact CD2-CE2 4.1Å; Y25-F105 HydrophobicContact CD2-CE2 4.18Å; Y25-F105 AromaticContact CD2-CZ 3.93Å; Y25-F105 HydrophobicContact CD2-CZ 3.93Å; Y25-F105 HydrophobicContact CE2-CE2 4.47Å; Y25-F105 HydrophobicContact CG-CZ 4.12Å; F40-F105 HydrophobicContact CD1-CD2 4.43Å; F40-F105 HydrophobicContact CE1-CB 3.95Å; F40-F105 AromaticContact CE1-CD1 3.84Å; F40-F105 HydrophobicContact CE1-CD1 3.84Å; F40-F105 AromaticContact CE1-CD2 3.78Å; F40-F105 HydrophobicContact CE1-CD2 3.78Å; F40-F105 HydrophobicContact CE1-CE1 4.28Å; F40-F105 HydrophobicContact CE1-CE2 4.25Å; F40-F105 AromaticContact CE1-CG 3.56Å; F40-F105 HydrophobicContact CE1-CG 3.56Å; F40-F105 HydrophobicContact CE1-CZ 4.48Å; F40-F105 HydrophobicContact CZ-CB 3.94Å; F40-F105 HydrophobicContact CZ-CD1 4.18Å; F40-F105 AromaticContact CZ-CG 3.99Å; F40-F105 HydrophobicContact CZ-CG 3.99Å; L53-F105 HydrophobicContact CD1-CB 4.43Å; L53-F105 HydrophobicContact CD1-CD2 4.4Å; F54-F105 CarbonylContact O-C 3.58Å; F54-F105 WeakPolarHBondContact O-CA 3.22Å; F105-F121 VanDerWaalsContact O-CA 3.27Å; F105-F121 WeakPolarHBondContact O-CA 3.22Å; F105-F121 WeakPolarHBondContact O-CB 3.22Å; F105-G122 VanDerWaalsContact CE1-CA 3.47Å; F105-G122 PolarHBondContact N-O 3.33Å; F105-G122 PolarHBondContact O-N 3.4Å; F105-F124 HydrophobicContact CD1-CD1 4.01Å; F105-F124 HydrophobicContact CD1-CE1 4.46Å |
| 106 | V | 95.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 140.7 | 177.8 | 65.1 | 0 | 0 | 0 | 0 | 108.9 | F54 W73 F115 P118 G120 F121 | F54-V106 HydrophobicContact CB-CG1 3.83Å; F54-V106 HydrophobicContact CD2-CG1 4.43Å; F54-V106 PolarHBondContact N-O 2.79Å; F54-V106 PolarHBondContact O-N 3.34Å; W73-V106 HydrophobicContact CD2-CG1 4.47Å; W73-V106 HydrophobicContact CE3-CG1 3.87Å; W73-V106 HydrophobicContact CH2-CB 4.17Å; W73-V106 HydrophobicContact CH2-CG1 3.76Å; W73-V106 HydrophobicContact CZ2-CG1 4.37Å; W73-V106 HydrophobicContact CZ3-CB 4.13Å; W73-V106 HydrophobicContact CZ3-CG1 3.49Å; W73-V106 VanDerWaalsContact CZ3-CG1 3.49Å; V106-F115 HydrophobicContact CG1-CD1 3.94Å; V106-F115 HydrophobicContact CG1-CE1 3.6Å; V106-P118 HydrophobicContact CG2-CB 3.13Å; V106-P118 HydrophobicContact CG2-CG 3.64Å; V106-G120 WeakPolarHBondContact CA-O 3.42Å; V106-F121 HydrophobicContact CB-CB 4.21Å; V106-F121 HydrophobicContact CG2-CB 4.08Å |
| 107 | F | 94.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.3 | 172.2 | 66.4 | -87.4 | 0 | 0 | 0 | 111.6 | L19 E20 L46 V51 K52 L53 N119 G120 | L19-F107 HydrophobicContact CB-CD1 4.41Å; L19-F107 HydrophobicContact CB-CE1 4.12Å; L19-F107 HydrophobicContact CB-CZ 4.28Å; L19-F107 HydrophobicContact CD1-CD1 4.18Å; L19-F107 HydrophobicContact CD1-CG 4.29Å; L19-F107 HydrophobicContact CD2-CD1 3.81Å; L19-F107 HydrophobicContact CD2-CE1 3.87Å; L19-F107 HydrophobicContact CG-CD1 4.37Å; L19-F107 HydrophobicContact CG-CE1 4.45Å; E20-F107 WeakPolarHBondContact O-CZ 3.41Å; L46-F107 HydrophobicContact CD1-CD2 4.19Å; L46-F107 HydrophobicContact CD1-CE2 3.72Å; L46-F107 HydrophobicContact CD1-CZ 4.3Å; L46-F107 HydrophobicContact CD2-CE2 4.19Å; V51-F107 HydrophobicContact CG1-CB 3.99Å; V51-F107 HydrophobicContact CG1-CD2 4.16Å; V51-F107 HydrophobicContact CG1-CG 4.41Å; K52-F107 VanDerWaalsContact O-CA 3.23Å; K52-F107 WeakPolarHBondContact O-CA 3.36Å; L53-F107 HydrophobicContact CD1-CB 3.96Å; F107-N119 HydrophobicContact CD2-CB 4.37Å; F107-N119 HydrophobicContact CE2-CB 4.1Å; F107-N119 PolarHBondContact O-N 3.01Å; F107-G120 WeakPolarHBondContact CD1-O 3.25Å; F107-G120 VanDerWaalsContact CE1-CA 3.41Å; F107-G120 VanDerWaalsContact CZ-CA 3.46Å; F107-G120 PolarHBondContact N-O 3.07Å; F107-G120 PolarHBondContact O-N 2.91Å |
| 108 | M | 93 | Very high | 86.4 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.4 | -179.6 | -66 | 172.8 | -69.4 | 0 | 0 | 109.4 | K52 F54 F115 P118 N119 | K52-M108 PolarHBondContact N-O 3.35Å; K52-M108 PolarHBondContact O-N 3.33Å; F54-M108 HydrophobicContact CD2-CE 3.8Å; F54-M108 HydrophobicContact CE2-CE 3.39Å; F54-M108 HydrophobicContact CZ-CE 4.3Å; M108-F115 HydrophobicContact CE-CD2 3.98Å; M108-F115 HydrophobicContact CE-CE1 4.33Å; M108-F115 HydrophobicContact CE-CE2 3.54Å; M108-F115 HydrophobicContact CE-CZ 3.74Å; M108-F115 HydrophobicContact SD-CD2 4.24Å; M108-F115 HydrophobicContact SD-CE2 4.39Å; M108-P118 HydrophobicContact CG-CB 4.31Å; M108-N119 WeakPolarHBondContact CA-OD1 3.07Å |
| 109 | C | 89.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 155.9 | 171.6 | -63.1 | 0 | 0 | 0 | 0 | 109.1 | L46 Y49 D50 D111 Q112 N119 | L46-C109 VanDerWaalsContact CD2-SG 3.56Å; Y49-C109 HydrophobicContact CD1-CB 3.88Å; Y49-C109 HydrophobicContact CG-CB 4.48Å; D50-C109 WeakPolarHBondContact O-CA 3.47Å; C109-D111 WeakPolarHBondContact CB-OD1 3.47Å; C109-D111 PolarHBondContact O-N 3.33Å; C109-Q112 CarbonylContact O-C 3.51Å; C109-Q112 PolarHBondContact O-N 3.02Å; C109-N119 PolarHBondContact N-OD1 3.09Å |
| 110 | S | 73.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 53% | 0.531 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -12.4 | -175 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | D50 | D50-S110 PolarHBondContact O-N 3.33Š|
| 111 | D | 65.6 | Low | 86.8 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.5 | 174.1 | 58.5 | -22.1 | 0 | 0 | 0 | 113.7 | C109 | C109-D111 WeakPolarHBondContact CB-OD1 3.47Å; C109-D111 PolarHBondContact O-N 3.33Å |
| 112 | Q | 63.8 | Low | 86.9 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 24% | 0.239 | S | C | . | . | trans | -149.9 | 88.3 | -174.3 | -138.8 | 172.7 | 6.4 | 0 | 0 | 112.1 | C109 S114 | C109-Q112 CarbonylContact O-C 3.51Å; C109-Q112 PolarHBondContact O-N 3.02Å; Q112-S114 PolarHBondContact O-N 3.39Å | ||
| 113 | E | 68.1 | Low | 87 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 63% | 0.626 | 23% | 0.233 | S | C | * | . | trans | -93.1 | 62.5 | 179 | -63.3 | -164.3 | 149.7 | 0 | 0 | 112.3 | K52 | K52-E113 IonicContact NZ-OE1 2.7Å; K52-E113 PolarHBondContact NZ-OE1 3.25Å | ||
| 114 | S | 81.7 | Confident | 87 | Confident | 44 Ų | 44 | 45 Ų | 45 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | trans | -135.4 | 125.2 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | Q112 D116 K117 | Q112-S114 PolarHBondContact O-N 3.39Å; S114-D116 PolarHBondContact O-N 3.24Å; S114-D116 PolarHBondContact OG-N 2.93Å; S114-K117 CarbonylContact O-C 3.58Å; S114-K117 VanDerWaalsContact O-C 3.26Å; S114-K117 PolarHBondContact O-N 3.45Å; S114-K117 VanDerWaalsContact O-N 3.16Å | ||
| 115 | F | 83.5 | Confident | 87 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18 | 172.7 | -79.4 | -96.6 | 0 | 0 | 0 | 113.2 | F54 L66 V68 W73 V106 M108 K117 | F54-F115 HydrophobicContact CB-CE1 4.47Å; F54-F115 HydrophobicContact CD1-CZ 4.3Å; F54-F115 HydrophobicContact CD2-CE1 4.43Å; F54-F115 AromaticContact CD2-CZ 3.99Å; F54-F115 HydrophobicContact CD2-CZ 3.99Å; F54-F115 HydrophobicContact CE2-CZ 4.23Å; F54-F115 HydrophobicContact CG-CE1 4.38Å; F54-F115 HydrophobicContact CG-CZ 4.03Å; F54-F115 HydrophobicContact CZ-CZ 4.49Å; L66-F115 HydrophobicContact CD2-CE2 3.48Å; L66-F115 VanDerWaalsContact CD2-CE2 3.48Å; L66-F115 HydrophobicContact CD2-CZ 3.68Å; V68-F115 HydrophobicContact CG1-CB 4.29Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD2 4.02Å; V68-F115 HydrophobicContact CG2-CE1 4.5Å; V68-F115 HydrophobicContact CG2-CE2 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.27Å; V68-F115 HydrophobicContact CG2-CZ 4.28Å; W73-F115 AromaticContact CD2-CE1 3.89Å; W73-F115 HydrophobicContact CD2-CE1 3.89Å; W73-F115 AromaticContact CE2-CE1 3.91Å; W73-F115 HydrophobicContact CE3-CE1 4.46Å; W73-F115 AromaticContact CG-CE1 3.98Å; W73-F115 HydrophobicContact CG-CE1 3.98Å; W73-F115 HydrophobicContact CZ2-CD1 4.36Å; W73-F115 HydrophobicContact CZ2-CE1 4.46Å; W73-F115 AromaticContact NE1-CE1 3.98Å; V106-F115 HydrophobicContact CG1-CD1 3.94Å; V106-F115 HydrophobicContact CG1-CE1 3.6Å; M108-F115 HydrophobicContact CE-CD2 3.98Å; M108-F115 HydrophobicContact CE-CE1 4.33Å; M108-F115 HydrophobicContact CE-CE2 3.54Å; M108-F115 HydrophobicContact CE-CZ 3.74Å; M108-F115 HydrophobicContact SD-CD2 4.24Å; M108-F115 HydrophobicContact SD-CE2 4.39Å; F115-K117 VanDerWaalsContact C-N 3.34Å |
| 116 | D | 82.5 | Confident | 87 | Confident | 145 Ų | 145 | 42.9 Ų | 42.9 | 78% | 0.775 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -23.1 | 177.4 | -61.3 | -37.1 | 0 | 0 | 0 | 112.1 | S114 | S114-D116 PolarHBondContact O-N 3.24Å; S114-D116 PolarHBondContact OG-N 2.93Å |
| 117 | K | 85.3 | Confident | 87 | Confident | 147 Ų | 147 | 43.3 Ų | 43.3 | 64% | 0.639 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -139.9 | 65.4 | 179.3 | -65.4 | -174.8 | -178.1 | 178.7 | 0 | 110.6 | S114 F115 | S114-K117 CarbonylContact O-C 3.58Å; S114-K117 VanDerWaalsContact O-C 3.26Å; S114-K117 PolarHBondContact O-N 3.45Å; S114-K117 VanDerWaalsContact O-N 3.16Å; F115-K117 VanDerWaalsContact C-N 3.34Å |
| 118 | P | 90.1 | Very high | 87 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | trans | -70.9 | 156.3 | -179.5 | 31.7 | -35.4 | 0 | 0 | 0 | 111.4 | V106 M108 G120 F121 | V106-P118 HydrophobicContact CG2-CB 3.13Å; V106-P118 HydrophobicContact CG2-CG 3.64Å; M108-P118 HydrophobicContact CG-CB 4.31Å; P118-G120 PolarHBondContact O-N 3.27Å; P118-F121 HydrophobicContact CG-CB 4.2Å; P118-F121 HydrophobicContact CG-CD1 3.99Å; P118-F121 HydrophobicContact CG-CG 4.4Å | ||
| 119 | N | 92.8 | Very high | 87 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -71.6 | -21.2 | 175.5 | -56 | 100.8 | 0 | 0 | 0 | 112 | Y21 G22 F107 M108 C109 | Y21-N119 HydrophobicContact CD2-CB 4.31Å; Y21-N119 HydrophobicContact CE2-CB 4.24Å; Y21-N119 WeakPolarHBondContact CE2-ND2 3.48Å; Y21-N119 PolarHBondContact OH-ND2 3Å; G22-N119 CarbonylContact C-O 3.44Å; G22-N119 WeakPolarHBondContact CA-O 3.28Å; G22-N119 PolarHBondContact N-O 3.41Å; F107-N119 HydrophobicContact CD2-CB 4.37Å; F107-N119 HydrophobicContact CE2-CB 4.1Å; F107-N119 PolarHBondContact O-N 3.01Å; M108-N119 WeakPolarHBondContact CA-OD1 3.07Å; C109-N119 PolarHBondContact N-OD1 3.09Å |
| 120 | G | 94 | Very high | 87.1 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 155 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K23 V106 F107 P118 | K23-G120 WeakPolarHBondContact O-CA 3.34Å; V106-G120 WeakPolarHBondContact CA-O 3.42Å; F107-G120 WeakPolarHBondContact CD1-O 3.25Å; F107-G120 VanDerWaalsContact CE1-CA 3.41Å; F107-G120 VanDerWaalsContact CZ-CA 3.46Å; F107-G120 PolarHBondContact N-O 3.07Å; F107-G120 PolarHBondContact O-N 2.91Å; P118-G120 PolarHBondContact O-N 3.27Å |
| 121 | F | 95.4 | Very high | 88 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 160.3 | -178.1 | 76.8 | -81.6 | 0 | 0 | 0 | 111.8 | K23 N24 Y25 E26 F105 V106 P118 | K23-F121 PolarHBondContact O-N 3.13Å; N24-F121 HydrophobicContact CB-CE1 4.23Å; N24-F121 WeakPolarHBondContact ND2-CZ 2.97Å; N24-F121 WeakPolarHBondContact OD1-CZ 3.42Å; Y25-F121 WeakPolarHBondContact CD2-O 3.39Å; Y25-F121 PolarHBondContact N-O 2.75Å; E26-F121 HydrophobicContact CB-CE2 3.9Å; E26-F121 HydrophobicContact CB-CZ 4.3Å; E26-F121 HydrophobicContact CG-CE2 4.38Å; F105-F121 VanDerWaalsContact O-CA 3.27Å; F105-F121 WeakPolarHBondContact O-CA 3.22Å; F105-F121 WeakPolarHBondContact O-CB 3.22Å; V106-F121 HydrophobicContact CB-CB 4.21Å; V106-F121 HydrophobicContact CG2-CB 4.08Å; P118-F121 HydrophobicContact CG-CB 4.2Å; P118-F121 HydrophobicContact CG-CD1 3.99Å; P118-F121 HydrophobicContact CG-CG 4.4Å |
| 122 | G | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | -171.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K104 F105 | K104-G122 WeakPolarHBondContact CA-O 3.43Å; F105-G122 VanDerWaalsContact CE1-CA 3.47Å; F105-G122 PolarHBondContact N-O 3.33Å; F105-G122 PolarHBondContact O-N 3.4Å |
| 123 | Y | 96.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.3 | 178.9 | -68.8 | -106.9 | 0 | 0 | 0 | 110.3 | E26 Y30 Q103 K104 N602 R603 | E26-Y123 HydrophobicContact CG-CD2 4.29Å; E26-Y123 HydrophobicContact CG-CE2 4.03Å; Y30-Y123 WeakPolarHBondContact CD2-O 3.49Å; Q103-Y123 CarbonylContact O-C 3.56Å; Q103-Y123 WeakPolarHBondContact O-CA 3.34Å; K104-Y123 HydrophobicContact CB-CE1 4.5Å; K104-Y123 HydrophobicContact CD-CE1 3.73Å; K104-Y123 VanDerWaalsContact CE-OH 3.23Å; K104-Y123 WeakPolarHBondContact CE-OH 3.43Å; K104-Y123 HydrophobicContact CG-CD1 3.86Å; K104-Y123 HydrophobicContact CG-CE1 3.45Å; K104-Y123 VanDerWaalsContact CG-CE1 3.45Å; K104-Y123 PolarHBondContact NZ-OH 2.95Å; Y123-N602 HydrophobicContact CD1-CB 4.14Å; Y123-N602 HydrophobicContact CD2-CB 4.24Å; Y123-N602 HydrophobicContact CG-CB 3.81Å; Y123-R603 HydrophobicContact CE1-CG 4.03Å; Y123-R603 HydrophobicContact CE2-CG 4.4Å |
| 124 | F | 96 | Very high | 91.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.7 | 158.9 | 62.9 | -84.8 | 0 | 0 | 0 | 108.3 | Y30 L32 V38 F40 H57 Q103 F105 V126 | Y30-F124 CarbonylContact O-C 3.47Å; L32-F124 HydrophobicContact CD1-CB 4.24Å; L32-F124 HydrophobicContact CD1-CD2 3.98Å; L32-F124 HydrophobicContact CD1-CG 4.41Å; V38-F124 HydrophobicContact CG1-CE2 4.28Å; V38-F124 HydrophobicContact CG1-CZ 4.25Å; F40-F124 HydrophobicContact CZ-CD1 4.23Å; F40-F124 AromaticContact CZ-CE1 3.88Å; F40-F124 HydrophobicContact CZ-CE1 3.88Å; H57-F124 HydrophobicContact CB-CZ 3.95Å; Q103-F124 WeakPolarHBondContact CA-O 3.49Å; Q103-F124 HydrophobicContact CB-CD1 4.05Å; Q103-F124 HydrophobicContact CB-CD2 3.9Å; Q103-F124 HydrophobicContact CB-CE1 3.66Å; Q103-F124 HydrophobicContact CB-CE2 3.52Å; Q103-F124 HydrophobicContact CB-CG 4.17Å; Q103-F124 HydrophobicContact CB-CZ 3.39Å; Q103-F124 WeakPolarHBondContact CB-O 3.41Å; Q103-F124 HydrophobicContact CG-CD2 4.2Å; Q103-F124 HydrophobicContact CG-CE2 3.67Å; Q103-F124 HydrophobicContact CG-CZ 3.93Å; Q103-F124 PolarHBondContact N-O 3.41Å; Q103-F124 PolarHBondContact O-N 3.43Å; Q103-F124 VanDerWaalsContact O-O 3.13Å; F105-F124 HydrophobicContact CD1-CD1 4.01Å; F105-F124 HydrophobicContact CD1-CE1 4.46Å; F124-V126 HydrophobicContact CD2-CG2 4.25Å; F124-V126 HydrophobicContact CE2-CG2 4.15Å |
| 125 | Q | 95 | Very high | 91.4 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.3 | 179.5 | -71.5 | -173.2 | 51.3 | 0 | 0 | 110.3 | L29 Y30 Q31 L32 P102 V601 N602 I606 | L29-Q125 VanDerWaalsContact CD1-NE2 3.33Å; Y30-Q125 PolarHBondContact O-N 3.12Å; Q31-Q125 HydrophobicContact CG-CB 4.43Å; L32-Q125 PolarHBondContact N-O 2.96Å; P102-Q125 HydrophobicContact CB-CG 4.44Å; Q125-V601 PolarHBondContact NE2-O 3.34Å; Q125-N602 PolarHBondContact NE2-OD1 3.29Å; Q125-I606 PolarHBondContact OE1-O 2.89Å |
| 126 | V | 95 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.1 | 169 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | L32 K34 C97 E99 A100 G101 Q103 F124 | L32-V126 CarbonylContact O-C 3.43Å; L32-V126 WeakPolarHBondContact O-CA 3.42Å; K34-V126 HydrophobicContact CG-CG1 3.64Å; C97-V126 HydrophobicContact CB-CG1 3.99Å; C97-V126 HydrophobicContact CB-CG2 3.76Å; E99-V126 WeakPolarHBondContact O-CB 3.39Å; E99-V126 WeakPolarHBondContact O-CG1 3.48Å; A100-V126 CarbonylContact C-O 3.55Å; A100-V126 WeakPolarHBondContact CA-O 3.43Å; G101-V126 PolarHBondContact N-O 3.19Å; G101-V126 PolarHBondContact O-N 3.41Å; Q103-V126 HydrophobicContact CG-CG2 4.18Å; F124-V126 HydrophobicContact CD2-CG2 4.25Å; F124-V126 HydrophobicContact CE2-CG2 4.15Å |
| 127 | L | 94.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 143.5 | -178.5 | -63.3 | 177 | 0 | 0 | 0 | 111 | Q31 L32 E33 L141 | Q31-L127 HydrophobicContact CB-CD1 4.39Å; Q31-L127 HydrophobicContact CB-CD2 4.41Å; Q31-L127 HydrophobicContact CB-CG 4.44Å; Q31-L127 HydrophobicContact CG-CD2 4.43Å; L32-L127 PolarHBondContact O-N 3.48Å; E33-L127 HydrophobicContact CG-CD1 4.38Å; L127-L141 HydrophobicContact CB-CD1 4.02Å; L127-L141 HydrophobicContact CD1-CD1 4.26Å; L127-L141 HydrophobicContact CD2-CD1 4.09Å; L127-L141 HydrophobicContact CG-CD1 4.35Å |
| 128 | P | 94.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 147 | 175.6 | 29 | -34.9 | 0 | 0 | 0 | 111.2 | A100 L130 L141 E582 N607 | A100-P128 HydrophobicContact CB-CB 4.2Å; P128-L130 HydrophobicContact CB-CD2 4.29Å; P128-L141 HydrophobicContact CG-CD1 4.34Å; P128-L141 HydrophobicContact CG-CD2 4.4Å; P128-E582 WeakPolarHBondContact CA-OE2 3.44Å; P128-E582 HydrophobicContact CB-CB 4.24Å; P128-N607 WeakPolarHBondContact CD-ND2 3.37Å |
| 129 | M | 92.7 | Very high | 91.7 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 37% | 0.365 | 18% | 0.184 | S | C | . | . | trans | -102.8 | 98.3 | 173.8 | -177 | -176.7 | -68.3 | 0 | 0 | 108.7 | K34 T138 E582 | K34-M129 HydrophobicContact CB-CE 4.1Å; K34-M129 HydrophobicContact CD-CB 4.15Å; M129-T138 HydrophobicContact CG-CG2 4.2Å; M129-E582 PolarHBondContact N-OE2 2.87Å | ||
| 130 | L | 93 | Very high | 91.5 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 141.1 | -176.9 | -57.4 | 175.9 | 0 | 0 | 0 | 110.7 | P128 C139 L141 M144 F228 E582 Y584 | P128-L130 HydrophobicContact CB-CD2 4.29Å; L130-C139 PolarHBondContact O-N 3.18Å; L130-L141 HydrophobicContact CD1-CD2 3.64Å; L130-L141 HydrophobicContact CG-CD2 4.2Å; L130-M144 HydrophobicContact CD1-CE 3.05Å; L130-M144 HydrophobicContact CG-CE 4.48Å; L130-F228 HydrophobicContact CB-CE1 4.05Å; L130-F228 HydrophobicContact CB-CE2 4.11Å; L130-F228 HydrophobicContact CB-CZ 3.55Å; L130-E582 HydrophobicContact CD2-CB 4.15Å; L130-E582 VanDerWaalsContact CD2-O 3.25Å; L130-E582 WeakPolarHBondContact CD2-O 3.08Å; L130-Y584 HydrophobicContact CD1-CD2 4.2Å; L130-Y584 HydrophobicContact CD1-CG 4.39Å |
| 131 | K | 92.3 | Very high | 91.5 | Very high | 91 Ų | 91 | 37.5 Ų | 37.5 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.9 | 178.6 | -60.7 | -176.2 | 176.2 | -170.2 | 0 | 109.6 | D136 L137 H222 F228 | K131-D136 HydrophobicContact CD-CB 4.19Å; K131-L137 CarbonylContact C-O 3.57Å; K131-L137 VanDerWaalsContact CA-O 3.24Å; K131-L137 WeakPolarHBondContact CA-O 3.46Å; K131-H222 PolarHBondContact O-CE1 3.34Å; K131-H222 PolarHBondContact O-NE2 3.44Å; K131-F228 WeakPolarHBondContact O-CE1 3.38Å; K131-F228 WeakPolarHBondContact O-CZ 3.46Å |
| 132 | Y | 89.7 | Confident | 91.3 | Very high | 25 Ų | 25 | 37 Ų | 37 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 168.1 | 176.3 | 59.5 | -123.3 | 0 | 0 | 0 | 112.5 | L137 C139 R226 F228 | Y132-L137 HydrophobicContact CD2-CB 4.26Å; Y132-L137 HydrophobicContact CE2-CB 3.99Å; Y132-L137 HydrophobicContact CE2-CD1 4.28Å; Y132-L137 PolarHBondContact N-O 2.93Å; Y132-L137 PolarHBondContact O-N 3.38Å; Y132-C139 HydrophobicContact CD1-CB 3.8Å; Y132-C139 HydrophobicContact CE1-CB 3.55Å; Y132-R226 HydrophobicContact CD2-CB 3.54Å; Y132-R226 HydrophobicContact CD2-CG 3.79Å; Y132-R226 HydrophobicContact CE2-CB 3.86Å; Y132-R226 HydrophobicContact CE2-CG 4.15Å; Y132-R226 HydrophobicContact CG-CB 4.17Å; Y132-F228 HydrophobicContact CD1-CD2 4.28Å; Y132-F228 AromaticContact CD1-CE2 3.49Å; Y132-F228 HydrophobicContact CD1-CE2 3.49Å; Y132-F228 VanDerWaalsContact CD1-CE2 3.49Å; Y132-F228 AromaticContact CD1-CZ 3.76Å; Y132-F228 HydrophobicContact CD1-CZ 3.76Å; Y132-F228 HydrophobicContact CE1-CE2 4.3Å; Y132-F228 HydrophobicContact CG-CE2 4.4Å; Y132-F228 HydrophobicContact CG-CZ 4.32Å |
| 133 | G | 89.1 | Confident | 91.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 169.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D135 D136 H222 K223 | G133-D135 PolarHBondContact O-N 3.1Å; G133-D136 PolarHBondContact O-N 3.17Å; G133-H222 PolarHBondContact N-O 2.74Å; G133-H222 VanDerWaalsContact N-O 3.08Å; G133-K223 WeakPolarHBondContact CA-O 3.37Å |
| 134 | S | 85 | Confident | 91 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 66% | 0.664 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22 | 173.8 | 52 | 0 | 0 | 0 | 0 | 114 | ||
| 135 | D | 86.7 | Confident | 91 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 52% | 0.524 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.4 | -172.4 | -39.5 | -37.5 | 0 | 0 | 0 | 111.9 | G133 L137 R226 | G133-D135 PolarHBondContact O-N 3.1Å; D135-L137 VanDerWaalsContact C-N 3.32Å; D135-L137 HydrophobicContact CB-CG 4.34Å; D135-L137 PolarHBondContact O-N 3.19Å; D135-R226 IonicContact OD2-NH2 3.73Å; D135-R226 PolarHBondContact OD2-NH2 2.87Å |
| 136 | D | 85 | Confident | 91.2 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 54% | 0.54 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.3 | 179.5 | -82.3 | -21.9 | 0 | 0 | 0 | 114 | K131 G133 T138 | K131-D136 HydrophobicContact CD-CB 4.19Å; G133-D136 PolarHBondContact O-N 3.17Å; D136-T138 PolarHBondContact O-N 3.49Å |
| 137 | L | 87.1 | Confident | 91.3 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.4 | 179.3 | -68.6 | 169.5 | 0 | 0 | 0 | 110.6 | K131 Y132 D135 C139 | K131-L137 CarbonylContact C-O 3.57Å; K131-L137 VanDerWaalsContact CA-O 3.24Å; K131-L137 WeakPolarHBondContact CA-O 3.46Å; Y132-L137 HydrophobicContact CD2-CB 4.26Å; Y132-L137 HydrophobicContact CE2-CB 3.99Å; Y132-L137 HydrophobicContact CE2-CD1 4.28Å; Y132-L137 PolarHBondContact N-O 2.93Å; Y132-L137 PolarHBondContact O-N 3.38Å; D135-L137 VanDerWaalsContact C-N 3.32Å; D135-L137 HydrophobicContact CB-CG 4.34Å; D135-L137 PolarHBondContact O-N 3.19Å; L137-C139 PolarHBondContact O-N 3.4Å |
| 138 | T | 86.7 | Confident | 91.5 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.3 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | M129 D136 | M129-T138 HydrophobicContact CG-CG2 4.2Å; D136-T138 PolarHBondContact O-N 3.49Å |
| 139 | C | 89.1 | Confident | 91.6 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.7 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | L130 Y132 L137 F228 | L130-C139 PolarHBondContact O-N 3.18Å; Y132-C139 HydrophobicContact CD1-CB 3.8Å; Y132-C139 HydrophobicContact CE1-CB 3.55Å; L137-C139 PolarHBondContact O-N 3.4Å; C139-F228 HydrophobicContact CB-CE2 3.75Å; C139-F228 HydrophobicContact CB-CZ 4.13Å |
| 140 | R | 88.9 | Confident | 91.8 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 25% | 0.253 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 138.5 | 169.5 | -75.4 | -168.5 | 172.4 | 176.6 | -4.7 | 108.7 | Q142 S143 T745 L746 E748 | R140-Q142 PolarHBondContact O-N 2.91Å; R140-S143 PolarHBondContact O-N 3.4Å; R140-S143 PolarHBondContact O-OG 3.42Å; R140-T745 HydrophobicContact CB-CG2 4.47Å; R140-L746 HydrophobicContact CB-CD2 4.48Å; R140-L746 HydrophobicContact CG-CD2 4.2Å; R140-E748 IonicContact CZ-OE1 3.85Å; R140-E748 IonicContact NH1-OE1 3.17Å; R140-E748 PolarHBondContact NH1-OE1 3.37Å; R140-E748 IonicContact NH2-OE1 3.68Å; R140-E748 PolarHBondContact NH2-OE1 3.22Å |
| 141 | L | 92.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -60.5 | -34.2 | -177.4 | -62.6 | -176.5 | 0 | 0 | 0 | 111.8 | L127 P128 L130 S143 M144 Y584 N607 M651 S686 | L127-L141 HydrophobicContact CB-CD1 4.02Å; L127-L141 HydrophobicContact CD1-CD1 4.26Å; L127-L141 HydrophobicContact CD2-CD1 4.09Å; L127-L141 HydrophobicContact CG-CD1 4.35Å; P128-L141 HydrophobicContact CG-CD1 4.34Å; P128-L141 HydrophobicContact CG-CD2 4.4Å; L130-L141 HydrophobicContact CD1-CD2 3.64Å; L130-L141 HydrophobicContact CG-CD2 4.2Å; L141-S143 PolarHBondContact O-N 3.05Å; L141-M144 HydrophobicContact CD2-CE 3.64Å; L141-M144 HydrophobicContact CD2-SD 4.5Å; L141-M144 WeakPolarHBondContact O-CB 3.02Å; L141-M144 WeakPolarHBondContact O-CG 3.4Å; L141-M144 PolarHBondContact O-N 2.94Å; L141-Y584 HydrophobicContact CD2-CD2 3.92Å; L141-Y584 HydrophobicContact CD2-CE2 4.04Å; L141-N607 HydrophobicContact CD1-CB 4.38Å; L141-M651 HydrophobicContact CB-CE 3.95Å; L141-M651 HydrophobicContact CB-SD 3.76Å; L141-S686 PolarHBondContact O-OG 3.26Å |
| 142 | Q | 91.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -65 | -23.3 | 176.1 | -57.2 | 86.2 | -16.2 | 0 | 0 | 112.8 | R140 M144 M651 C685 S686 H741 T745 | R140-Q142 PolarHBondContact O-N 2.91Å; Q142-M144 VanDerWaalsContact C-N 3.28Å; Q142-M144 PolarHBondContact O-N 3.03Å; Q142-M651 HydrophobicContact CG-CE 3.95Å; Q142-M651 HydrophobicContact CG-SD 4.38Å; Q142-C685 CarbonylContact O-C 3.51Å; Q142-S686 PolarHBondContact O-N 2.92Å; Q142-H741 PolarHBondContact O-NE2 2.88Å; Q142-T745 HydrophobicContact CB-CG2 3.67Å |
| 143 | S | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -91.4 | 17.9 | 178.5 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | R140 L141 E145 N173 | R140-S143 PolarHBondContact O-N 3.4Å; R140-S143 PolarHBondContact O-OG 3.42Å; L141-S143 PolarHBondContact O-N 3.05Å; S143-E145 VanDerWaalsContact O-CD 3.27Å; S143-N173 PolarHBondContact O-ND2 3.35Å |
| 144 | M | 94 | Very high | 92.7 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -78.2 | 120.9 | 174.7 | -75 | -174 | 170.7 | 0 | 0 | 110.4 | L130 L141 Q142 N173 V174 Y584 S686 V687 | L130-M144 HydrophobicContact CD1-CE 3.05Å; L130-M144 HydrophobicContact CG-CE 4.48Å; L141-M144 HydrophobicContact CD2-CE 3.64Å; L141-M144 HydrophobicContact CD2-SD 4.5Å; L141-M144 WeakPolarHBondContact O-CB 3.02Å; L141-M144 WeakPolarHBondContact O-CG 3.4Å; L141-M144 PolarHBondContact O-N 2.94Å; Q142-M144 VanDerWaalsContact C-N 3.28Å; Q142-M144 PolarHBondContact O-N 3.03Å; M144-N173 WeakPolarHBondContact CA-OD1 3.26Å; M144-V174 HydrophobicContact CB-CG2 3.94Å; M144-V174 HydrophobicContact CG-CG2 3.88Å; M144-V174 HydrophobicContact SD-CG2 4.16Å; M144-Y584 HydrophobicContact CE-CD1 4.43Å; M144-Y584 HydrophobicContact CE-CD2 3.64Å; M144-Y584 HydrophobicContact CE-CE2 3.72Å; M144-Y584 HydrophobicContact CE-CG 4Å; M144-Y584 HydrophobicContact SD-CD1 4.36Å; M144-Y584 HydrophobicContact SD-CD2 3.97Å; M144-Y584 HydrophobicContact SD-CE1 3.88Å; M144-Y584 HydrophobicContact SD-CE2 3.43Å; M144-Y584 WeakPolarHBondContact SD-CE2 3.46Å; M144-Y584 HydrophobicContact SD-CG 4.38Å; M144-S686 CarbonylContact O-C 3.58Å; M144-S686 VanDerWaalsContact O-CA 3.31Å; M144-S686 WeakPolarHBondContact O-CA 3.27Å; M144-V687 PolarHBondContact O-N 2.95Å | ||
| 145 | E | 96.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.4 | 170.3 | -48.8 | 95.8 | -175.8 | 0 | 0 | 109.2 | S143 Y172 N173 V174 V687 N738 H741 | S143-E145 VanDerWaalsContact O-CD 3.27Å; E145-Y172 HydrophobicContact CB-CD1 3.88Å; E145-Y172 WeakPolarHBondContact O-CB 3.33Å; E145-N173 PolarHBondContact N-OD1 3.34Å; E145-N173 PolarHBondContact O-N 3.09Å; E145-N173 VanDerWaalsContact O-N 3.09Å; E145-N173 PolarHBondContact O-OD1 3.5Å; E145-N173 PolarHBondContact OE2-ND2 3.38Å; E145-N173 PolarHBondContact OE2-OD1 3.09Å; E145-V174 PolarHBondContact O-N 3.08Å; E145-V687 HydrophobicContact CB-CG2 3.92Å; E145-V687 HydrophobicContact CG-CG2 3.72Å; E145-N738 HydrophobicContact CG-CB 4.17Å; E145-H741 IonicContact OE1-CD2 2.65Å; E145-H741 PolarHBondContact OE1-CD2 3.01Å |
| 146 | C | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.3 | -174.5 | -174.5 | 0 | 0 | 0 | 0 | 113 | Y172 V174 H176 M653 F655 V687 G688 S689 | C146-Y172 WeakPolarHBondContact O-CE1 3.4Å; C146-V174 CarbonylContact C-O 3.51Å; C146-V174 VanDerWaalsContact CA-O 3.27Å; C146-V174 WeakPolarHBondContact CA-O 3.38Å; C146-V174 HydrophobicContact CB-CB 4.04Å; C146-V174 HydrophobicContact CB-CG1 4.19Å; C146-H176 WeakPolarHBondContact SG-CB 3.11Å; C146-M653 HydrophobicContact CB-CE 4.11Å; C146-M653 HydrophobicContact CB-SD 3.94Å; C146-F655 HydrophobicContact CB-CZ 4.46Å; C146-V687 PolarHBondContact N-O 2.84Å; C146-G688 CarbonylContact O-C 3.56Å; C146-G688 VanDerWaalsContact O-CA 3.22Å; C146-G688 WeakPolarHBondContact O-CA 2.9Å; C146-S689 PolarHBondContact O-N 3.35Å |
| 147 | Q | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.1 | 162.9 | -160.7 | 173.2 | 58.1 | 0 | 0 | 110.6 | T167 Y172 V174 H176 S689 R691 D694 | Q147-T167 HydrophobicContact CB-CG2 3.48Å; Q147-T167 VanDerWaalsContact CB-CG2 3.48Å; Q147-T167 HydrophobicContact CG-CG2 4.4Å; Q147-T167 PolarHBondContact OE1-OG1 2.93Å; Q147-Y172 HydrophobicContact CB-CD1 4.04Å; Q147-Y172 HydrophobicContact CB-CD2 3.88Å; Q147-Y172 HydrophobicContact CB-CE1 4.22Å; Q147-Y172 HydrophobicContact CB-CE2 4.09Å; Q147-Y172 HydrophobicContact CB-CG 3.86Å; Q147-Y172 HydrophobicContact CG-CD2 4.36Å; Q147-Y172 HydrophobicContact CG-CE2 4.13Å; Q147-Y172 VanDerWaalsContact NE2-CE2 3.32Å; Q147-V174 PolarHBondContact N-O 2.91Å; Q147-H176 PolarHBondContact O-N 2.97Å; Q147-S689 CarbonylContact C-O 3.6Å; Q147-S689 WeakPolarHBondContact CA-O 3.41Å; Q147-R691 VanDerWaalsContact OE1-CD 3.28Å; Q147-D694 PolarHBondContact NE2-OD2 3.27Å |
| 148 | T | 98.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.6 | 174 | -61.8 | 0 | 0 | 0 | 0 | 111 | H176 H659 S689 R691 | T148-H176 CarbonylContact C-O 3.56Å; T148-H176 WeakPolarHBondContact CA-O 3.37Å; T148-H176 VanDerWaalsContact CG2-ND1 3.3Å; T148-H176 WeakPolarHBondContact CG2-ND1 3.43Å; T148-H176 PolarHBondContact OG1-ND1 3.06Å; T148-H659 HydrophobicContact CG2-CB 4.28Å; T148-S689 PolarHBondContact N-O 3.47Å; T148-R691 WeakPolarHBondContact O-CB 3.41Å; T148-R691 PolarHBondContact O-N 3.46Å |
| 149 | V | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.3 | 172.5 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | A151 L164 I175 H176 I177 T178 R691 Y710 | V149-A151 PolarHBondContact O-N 2.87Å; V149-L164 HydrophobicContact CG2-CD2 3.84Å; V149-I175 HydrophobicContact CG2-CG2 4.08Å; V149-H176 WeakPolarHBondContact CG2-O 3.32Å; V149-H176 PolarHBondContact N-O 2.89Å; V149-I177 HydrophobicContact CG2-CB 4.33Å; V149-I177 HydrophobicContact CG2-CG1 3.78Å; V149-I177 HydrophobicContact CG2-CG2 4.49Å; V149-T178 PolarHBondContact O-N 2.89Å; V149-R691 HydrophobicContact CG1-CB 3.87Å; V149-R691 HydrophobicContact CG1-CG 4.07Å; V149-Y710 HydrophobicContact CB-CE2 4.24Å |
| 150 | L | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | trans | -77 | 114.7 | 170.4 | -55.1 | -173.4 | 0 | 0 | 0 | 109.3 | K152 L153 T178 H659 I701 V703 Y710 | L150-K152 PolarHBondContact O-N 3Å; L150-K152 VanDerWaalsContact O-N 3.15Å; L150-L153 HydrophobicContact CB-CB 4.47Å; L150-L153 HydrophobicContact CB-CD1 3.92Å; L150-L153 HydrophobicContact CB-CG 3.93Å; L150-L153 HydrophobicContact CD1-CD1 3.76Å; L150-L153 HydrophobicContact CD1-CG 4.45Å; L150-L153 HydrophobicContact CG-CD1 4.26Å; L150-L153 PolarHBondContact O-N 3.16Å; L150-T178 WeakPolarHBondContact CA-OG1 3.44Å; L150-T178 HydrophobicContact CD2-CG2 3.45Å; L150-T178 VanDerWaalsContact CD2-CG2 3.45Å; L150-H659 HydrophobicContact CD2-CB 4.34Å; L150-I701 HydrophobicContact CD1-CG2 3.99Å; L150-V703 HydrophobicContact CD1-CG1 4.19Å; L150-V703 HydrophobicContact CD2-CG1 4.17Å; L150-Y710 HydrophobicContact CB-CE2 4.42Å | ||
| 151 | A | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -52.6 | -41 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V149 L153 L154 I177 T178 I180 F202 | V149-A151 PolarHBondContact O-N 2.87Å; A151-L153 PolarHBondContact O-N 3.12Å; A151-L153 VanDerWaalsContact O-N 3.08Å; A151-L154 WeakPolarHBondContact O-CB 3.46Å; A151-L154 PolarHBondContact O-N 3.02Å; A151-L154 VanDerWaalsContact O-N 3.07Å; A151-I177 HydrophobicContact CB-CG2 3.74Å; A151-T178 PolarHBondContact N-OG1 2.69Å; A151-I180 HydrophobicContact CB-CG2 4.02Å; A151-F202 HydrophobicContact CB-CE2 4.45Å; A151-F202 HydrophobicContact CB-CZ 3.94Å |
| 152 | K | 94.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -59.9 | -20.5 | 178.3 | 70.2 | 170.9 | -179 | 174.7 | 0 | 115.4 | L150 L183 N187 V703 V704 | L150-K152 PolarHBondContact O-N 3Å; L150-K152 VanDerWaalsContact O-N 3.15Å; K152-L183 HydrophobicContact CB-CD1 4.38Å; K152-L183 HydrophobicContact CD-CD1 4.42Å; K152-N187 PolarHBondContact NZ-O 3.04Å; K152-V703 VanDerWaalsContact CE-O 3.26Å; K152-V703 WeakPolarHBondContact CE-O 3.42Å; K152-V703 VanDerWaalsContact NZ-C 3.34Å; K152-V703 PolarHBondContact NZ-O 3.19Å; K152-V704 PolarHBondContact NZ-O 3.29Å |
| 153 | L | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -98.1 | -0.2 | -178.4 | -51 | -176.4 | 0 | 0 | 0 | 112.5 | L150 A151 G155 I701 E706 R708 L709 Y710 I841 | L150-L153 HydrophobicContact CB-CB 4.47Å; L150-L153 HydrophobicContact CB-CD1 3.92Å; L150-L153 HydrophobicContact CB-CG 3.93Å; L150-L153 HydrophobicContact CD1-CD1 3.76Å; L150-L153 HydrophobicContact CD1-CG 4.45Å; L150-L153 HydrophobicContact CG-CD1 4.26Å; L150-L153 PolarHBondContact O-N 3.16Å; A151-L153 PolarHBondContact O-N 3.12Å; A151-L153 VanDerWaalsContact O-N 3.08Å; L153-G155 VanDerWaalsContact C-N 3.33Å; L153-I701 HydrophobicContact CD1-CG2 3.62Å; L153-E706 HydrophobicContact CD1-CB 4.22Å; L153-E706 HydrophobicContact CD1-CG 3.77Å; L153-E706 HydrophobicContact CD2-CB 4.29Å; L153-E706 HydrophobicContact CD2-CG 3.99Å; L153-E706 WeakPolarHBondContact CD2-O 3.22Å; L153-R708 WeakPolarHBondContact CD2-O 3.37Å; L153-L709 CarbonylContact O-C 3.58Å; L153-L709 VanDerWaalsContact O-CA 3.29Å; L153-L709 WeakPolarHBondContact O-CA 3.36Å; L153-Y710 HydrophobicContact CB-CD2 3.69Å; L153-Y710 HydrophobicContact CB-CE2 3.61Å; L153-Y710 HydrophobicContact CB-CG 4.39Å; L153-Y710 HydrophobicContact CD1-CE2 4.15Å; L153-Y710 HydrophobicContact CG-CE2 4.41Å; L153-Y710 PolarHBondContact O-N 3.36Å; L153-I841 HydrophobicContact CD1-CD1 3.77Å |
| 154 | L | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -23.9 | 169.9 | -62.3 | 172.4 | 0 | 0 | 0 | 111.7 | A151 W160 R163 L164 Y710 | A151-L154 WeakPolarHBondContact O-CB 3.46Å; A151-L154 PolarHBondContact O-N 3.02Å; A151-L154 VanDerWaalsContact O-N 3.07Å; L154-W160 HydrophobicContact CB-CD2 4.18Å; L154-W160 HydrophobicContact CB-CG 3.97Å; L154-W160 HydrophobicContact CD1-CD2 3.77Å; L154-W160 HydrophobicContact CD1-CE3 4Å; L154-W160 HydrophobicContact CD1-CG 4.1Å; L154-W160 HydrophobicContact CD1-CZ2 4.4Å; L154-W160 HydrophobicContact CD1-CZ3 4.43Å; L154-R163 HydrophobicContact CD2-CB 3.8Å; L154-R163 WeakPolarHBondContact O-CD 3.23Å; L154-R163 PolarHBondContact O-NE 2.92Å; L154-L164 HydrophobicContact CD1-CD2 3.96Å; L154-L164 HydrophobicContact CD1-CG 4.32Å; L154-L164 HydrophobicContact CD2-CD2 3.91Å; L154-L164 HydrophobicContact CD2-CG 4.29Å; L154-Y710 HydrophobicContact CD2-CD2 4.25Å |
| 155 | G | 93.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | trans | 82.3 | -151.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L153 W160 | L153-G155 VanDerWaalsContact C-N 3.33Å; G155-W160 PolarHBondContact O-NE1 2.97Å | ||
| 156 | P | 94.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 23% | 0.234 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -56.5 | 142 | 176.5 | -27.2 | 37.7 | 0 | 0 | 0 | 112.8 | D158 Q159 P204 | P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.44Å; P156-D158 PolarHBondContact O-N 2.94Å; P156-Q159 WeakPolarHBondContact O-CB 3.49Å; P156-Q159 PolarHBondContact O-N 3.5Å; P156-P204 HydrophobicContact CB-CB 4.33Å; P156-P204 HydrophobicContact CB-CG 4.03Å |
| 157 | F | 96 | Very high | 95.8 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 9% | 0.092 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -57 | -35.8 | -172.1 | 179 | -102 | 0 | 0 | 0 | 113.9 | Q159 W160 F202 Y209 D213 V214 L217 | F157-Q159 PolarHBondContact O-N 3.37Å; F157-Q159 VanDerWaalsContact O-N 3.08Å; F157-W160 VanDerWaalsContact CA-CD1 3.49Å; F157-W160 AromaticContact CD2-CD2 3.8Å; F157-W160 HydrophobicContact CD2-CD2 3.8Å; F157-W160 AromaticContact CD2-CE3 3.81Å; F157-W160 HydrophobicContact CD2-CE3 3.81Å; F157-W160 HydrophobicContact CD2-CG 4.2Å; F157-W160 HydrophobicContact CD2-CZ3 4.21Å; F157-W160 HydrophobicContact CE2-CD2 4.36Å; F157-W160 AromaticContact CE2-CE3 3.98Å; F157-W160 HydrophobicContact CE2-CE3 3.98Å; F157-W160 HydrophobicContact CE2-CZ3 4.39Å; F157-W160 WeakPolarHBondContact O-CB 3.19Å; F157-W160 PolarHBondContact O-N 2.94Å; F157-F202 HydrophobicContact CB-CB 4.49Å; F157-F202 WeakPolarHBondContact CB-O 3.25Å; F157-F202 PolarHBondContact N-O 3.45Å; F157-Y209 HydrophobicContact CB-CD2 3.94Å; F157-Y209 HydrophobicContact CB-CE2 4.36Å; F157-Y209 HydrophobicContact CB-CG 4.07Å; F157-Y209 AromaticContact CD1-CD1 3.32Å; F157-Y209 HydrophobicContact CD1-CD1 3.32Å; F157-Y209 HydrophobicContact CD1-CD2 4.11Å; F157-Y209 AromaticContact CD1-CE1 3.57Å; F157-Y209 HydrophobicContact CD1-CE1 3.57Å; F157-Y209 HydrophobicContact CD1-CE2 4.32Å; F157-Y209 AromaticContact CD1-CG 3.61Å; F157-Y209 HydrophobicContact CD1-CG 3.61Å; F157-Y209 AromaticContact CE1-CD1 3.81Å; F157-Y209 HydrophobicContact CE1-CD1 3.81Å; F157-Y209 HydrophobicContact CE1-CE1 4.04Å; F157-Y209 HydrophobicContact CE1-CG 4.46Å; F157-Y209 HydrophobicContact CG-CD1 4.27Å; F157-Y209 HydrophobicContact CG-CD2 4.45Å; F157-Y209 HydrophobicContact CG-CG 4.13Å; F157-D213 HydrophobicContact CD1-CB 4.46Å; F157-D213 HydrophobicContact CE1-CB 3.67Å; F157-D213 VanDerWaalsContact CZ-C 3.49Å; F157-D213 HydrophobicContact CZ-CB 3.9Å; F157-D213 WeakPolarHBondContact CZ-O 3.33Å; F157-V214 HydrophobicContact CD2-CG2 4.14Å; F157-V214 HydrophobicContact CE2-CB 4.23Å; F157-V214 HydrophobicContact CE2-CG2 3.65Å; F157-V214 HydrophobicContact CZ-CG2 4.37Å; F157-L217 HydrophobicContact CE2-CD2 3.96Å; F157-L217 HydrophobicContact CZ-CB 4.1Å; F157-L217 HydrophobicContact CZ-CD2 4.16Å |
| 158 | D | 93 | Very high | 95.7 | Very high | 94 Ų | 94 | 21.9 Ų | 21.9 | 50% | 0.503 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -63 | -13.5 | 176.9 | 64.6 | -28.2 | 0 | 0 | 0 | 114.2 | P156 | P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.44Å; P156-D158 PolarHBondContact O-N 2.94Å |
| 159 | Q | 93.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 24.2 Ų | 24.2 | 33% | 0.327 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -102.3 | -3.8 | 176.6 | -59.5 | 178.2 | 27.4 | 0 | 0 | 113.6 | P156 F157 R163 | P156-Q159 WeakPolarHBondContact O-CB 3.49Å; P156-Q159 PolarHBondContact O-N 3.5Å; F157-Q159 PolarHBondContact O-N 3.37Å; F157-Q159 VanDerWaalsContact O-N 3.08Å; Q159-R163 PolarHBondContact O-N 3.09Å |
| 160 | W | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | -173.2 | -78 | 24.3 | 0 | 0 | 0 | 112.1 | L154 G155 F157 E162 R163 L164 I180 F202 V214 L217 | L154-W160 HydrophobicContact CB-CD2 4.18Å; L154-W160 HydrophobicContact CB-CG 3.97Å; L154-W160 HydrophobicContact CD1-CD2 3.77Å; L154-W160 HydrophobicContact CD1-CE3 4Å; L154-W160 HydrophobicContact CD1-CG 4.1Å; L154-W160 HydrophobicContact CD1-CZ2 4.4Å; L154-W160 HydrophobicContact CD1-CZ3 4.43Å; G155-W160 PolarHBondContact O-NE1 2.97Å; F157-W160 VanDerWaalsContact CA-CD1 3.49Å; F157-W160 AromaticContact CD2-CD2 3.8Å; F157-W160 HydrophobicContact CD2-CD2 3.8Å; F157-W160 AromaticContact CD2-CE3 3.81Å; F157-W160 HydrophobicContact CD2-CE3 3.81Å; F157-W160 HydrophobicContact CD2-CG 4.2Å; F157-W160 HydrophobicContact CD2-CZ3 4.21Å; F157-W160 HydrophobicContact CE2-CD2 4.36Å; F157-W160 AromaticContact CE2-CE3 3.98Å; F157-W160 HydrophobicContact CE2-CE3 3.98Å; F157-W160 HydrophobicContact CE2-CZ3 4.39Å; F157-W160 WeakPolarHBondContact O-CB 3.19Å; F157-W160 PolarHBondContact O-N 2.94Å; W160-E162 PolarHBondContact O-N 3.13Å; W160-R163 PolarHBondContact O-N 3.08Å; W160-L164 HydrophobicContact CB-CD1 4.38Å; W160-L164 WeakPolarHBondContact O-CB 3.32Å; W160-L164 VanDerWaalsContact O-CG 3.32Å; W160-L164 WeakPolarHBondContact O-CG 3.16Å; W160-L164 PolarHBondContact O-N 3.18Å; W160-I180 HydrophobicContact CH2-CG2 3.95Å; W160-I180 HydrophobicContact CZ3-CG2 4.32Å; W160-F202 AromaticContact CH2-CD2 3.79Å; W160-F202 HydrophobicContact CH2-CD2 3.79Å; W160-F202 AromaticContact CH2-CE2 3.79Å; W160-F202 HydrophobicContact CH2-CE2 3.79Å; W160-F202 HydrophobicContact CH2-CG 4.35Å; W160-F202 HydrophobicContact CH2-CZ 4.37Å; W160-F202 HydrophobicContact CZ2-CB 4.28Å; W160-F202 AromaticContact CZ2-CD1 3.84Å; W160-F202 HydrophobicContact CZ2-CD1 3.84Å; W160-F202 AromaticContact CZ2-CD2 3.49Å; W160-F202 HydrophobicContact CZ2-CD2 3.49Å; W160-F202 VanDerWaalsContact CZ2-CD2 3.49Å; W160-F202 HydrophobicContact CZ2-CE1 4.03Å; W160-F202 AromaticContact CZ2-CE2 3.66Å; W160-F202 HydrophobicContact CZ2-CE2 3.66Å; W160-F202 AromaticContact CZ2-CG 3.6Å; W160-F202 HydrophobicContact CZ2-CG 3.6Å; W160-F202 AromaticContact CZ2-CZ 3.95Å; W160-F202 HydrophobicContact CZ2-CZ 3.95Å; W160-V214 HydrophobicContact CZ3-CG1 4.46Å; W160-V214 HydrophobicContact CZ3-CG2 4.46Å; W160-L217 HydrophobicContact CB-CD2 3.87Å; W160-L217 HydrophobicContact CE3-CD2 4.39Å |
| 161 | E | 95.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 24.9 Ų | 24.9 | 22% | 0.22 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.4 | -51.9 | -177.1 | -174.7 | 175.9 | 170.9 | 0 | 0 | 111.5 | R163 L164 K165 L217 K220 Y225 | E161-R163 VanDerWaalsContact C-N 3.25Å; E161-R163 PolarHBondContact O-N 3Å; E161-L164 PolarHBondContact O-N 3.06Å; E161-K165 VanDerWaalsContact O-CB 3.27Å; E161-K165 WeakPolarHBondContact O-CB 3.3Å; E161-K165 PolarHBondContact O-N 3.48Å; E161-L217 HydrophobicContact CB-CD1 3.95Å; E161-L217 HydrophobicContact CG-CD1 4.17Å; E161-K220 VanDerWaalsContact OE1-CE 3.28Å; E161-K220 WeakPolarHBondContact OE1-CE 3.17Å; E161-K220 IonicContact OE1-NZ 3.63Å; E161-K220 PolarHBondContact OE1-NZ 2.88Å; E161-K220 IonicContact OE2-NZ 3.61Å; E161-K220 PolarHBondContact OE2-NZ 2.93Å; E161-Y225 PolarHBondContact OE1-OH 2.7Å |
| 162 | E | 93.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 25.1 Ų | 25.1 | 41% | 0.407 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.5 | -25.2 | -178.8 | -68.7 | -61.6 | 158 | 0 | 0 | 113.7 | W160 W713 | W160-E162 PolarHBondContact O-N 3.13Å; E162-W713 PolarHBondContact O-N 3.29Å |
| 163 | R | 96.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -83.7 | -39 | 176.2 | -67.5 | -171.5 | -164.8 | -46.8 | -13.2 | 112.2 | L154 Q159 W160 E161 K165 V166 Y710 S712 | L154-R163 HydrophobicContact CD2-CB 3.8Å; L154-R163 WeakPolarHBondContact O-CD 3.23Å; L154-R163 PolarHBondContact O-NE 2.92Å; Q159-R163 PolarHBondContact O-N 3.09Å; W160-R163 PolarHBondContact O-N 3.08Å; E161-R163 VanDerWaalsContact C-N 3.25Å; E161-R163 PolarHBondContact O-N 3Å; R163-K165 VanDerWaalsContact C-N 3.31Å; R163-V166 WeakPolarHBondContact O-CG2 3.41Å; R163-V166 PolarHBondContact O-N 2.82Å; R163-Y710 VanDerWaalsContact CD-O 3.26Å; R163-Y710 WeakPolarHBondContact CD-O 3.35Å; R163-Y710 VanDerWaalsContact CZ-O 3.23Å; R163-Y710 PolarHBondContact NE-O 2.93Å; R163-Y710 PolarHBondContact NH1-O 3.3Å; R163-S712 PolarHBondContact NH1-OG 3.38Å |
| 164 | L | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -71.3 | -29.5 | 174.8 | -66.8 | 178.6 | 0 | 0 | 0 | 111.6 | V149 L154 W160 E161 V166 T167 C168 I175 I177 L217 L221 | V149-L164 HydrophobicContact CG2-CD2 3.84Å; L154-L164 HydrophobicContact CD1-CD2 3.96Å; L154-L164 HydrophobicContact CD1-CG 4.32Å; L154-L164 HydrophobicContact CD2-CD2 3.91Å; L154-L164 HydrophobicContact CD2-CG 4.29Å; W160-L164 HydrophobicContact CB-CD1 4.38Å; W160-L164 WeakPolarHBondContact O-CB 3.32Å; W160-L164 VanDerWaalsContact O-CG 3.32Å; W160-L164 WeakPolarHBondContact O-CG 3.16Å; W160-L164 PolarHBondContact O-N 3.18Å; E161-L164 PolarHBondContact O-N 3.06Å; L164-V166 PolarHBondContact O-N 2.75Å; L164-V166 VanDerWaalsContact O-N 3.11Å; L164-T167 VanDerWaalsContact O-CB 3.24Å; L164-T167 WeakPolarHBondContact O-CB 3.37Å; L164-T167 PolarHBondContact O-N 3.42Å; L164-C168 PolarHBondContact O-N 3.46Å; L164-I175 HydrophobicContact CB-CD1 4.48Å; L164-I175 HydrophobicContact CD2-CG2 3.91Å; L164-I177 HydrophobicContact CD1-CD1 4.15Å; L164-I177 HydrophobicContact CD2-CD1 4.35Å; L164-L217 HydrophobicContact CD1-CD2 4.25Å; L164-L221 HydrophobicContact CD1-CD1 3.88Å |
| 165 | K | 95.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 24.4 Ų | 24.4 | 12% | 0.122 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -53.7 | -32.8 | 174.1 | -175.1 | 172.2 | -177.6 | -171.9 | 0 | 111.7 | E161 R163 T167 C168 E169 Y225 W713 D715 | E161-K165 VanDerWaalsContact O-CB 3.27Å; E161-K165 WeakPolarHBondContact O-CB 3.3Å; E161-K165 PolarHBondContact O-N 3.48Å; R163-K165 VanDerWaalsContact C-N 3.31Å; K165-T167 VanDerWaalsContact C-N 3.26Å; K165-T167 PolarHBondContact O-N 3.35Å; K165-C168 PolarHBondContact O-N 3.35Å; K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.47Å; K165-E169 HydrophobicContact CG-CG 3.77Å; K165-E169 WeakPolarHBondContact O-CB 3.33Å; K165-E169 VanDerWaalsContact O-CG 3.23Å; K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 2.93Å; K165-Y225 HydrophobicContact CD-CE1 4.15Å; K165-Y225 HydrophobicContact CG-CE1 3.89Å; K165-W713 HydrophobicContact CB-CB 4.17Å; K165-W713 HydrophobicContact CD-CB 4.28Å; K165-W713 HydrophobicContact CD-CG 4.29Å; K165-W713 HydrophobicContact CG-CB 4.12Å; K165-W713 HydrophobicContact CG-CG 4.18Å; K165-D715 IonicContact NZ-OD1 2.96Å; K165-D715 IonicContact NZ-OD2 2.88Å |
| 166 | V | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 176.9 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | R163 L164 S170 R691 W713 V724 I731 | R163-V166 WeakPolarHBondContact O-CG2 3.41Å; R163-V166 PolarHBondContact O-N 2.82Å; L164-V166 PolarHBondContact O-N 2.75Å; L164-V166 VanDerWaalsContact O-N 3.11Å; V166-S170 VanDerWaalsContact O-CB 3.24Å; V166-S170 WeakPolarHBondContact O-CB 3.2Å; V166-S170 PolarHBondContact O-N 3.34Å; V166-S170 PolarHBondContact O-OG 3.42Å; V166-R691 VanDerWaalsContact CB-CZ 3.41Å; V166-W713 HydrophobicContact CB-CE3 4.15Å; V166-W713 HydrophobicContact CG1-CE3 3.65Å; V166-W713 HydrophobicContact CG1-CZ3 3.96Å; V166-W713 HydrophobicContact CG2-CB 3.77Å; V166-W713 HydrophobicContact CG2-CE3 4.13Å; V166-V724 HydrophobicContact CB-CG2 4.43Å; V166-V724 HydrophobicContact CG1-CG2 3.86Å; V166-V724 HydrophobicContact CG2-CG2 3.68Å; V166-I731 HydrophobicContact CG1-CD1 4.22Å |
| 167 | T | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 174.4 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | Q147 L164 K165 E169 S170 G171 Y172 I175 | Q147-T167 HydrophobicContact CB-CG2 3.48Å; Q147-T167 VanDerWaalsContact CB-CG2 3.48Å; Q147-T167 HydrophobicContact CG-CG2 4.4Å; Q147-T167 PolarHBondContact OE1-OG1 2.93Å; L164-T167 VanDerWaalsContact O-CB 3.24Å; L164-T167 WeakPolarHBondContact O-CB 3.37Å; L164-T167 PolarHBondContact O-N 3.42Å; K165-T167 VanDerWaalsContact C-N 3.26Å; K165-T167 PolarHBondContact O-N 3.35Å; T167-E169 PolarHBondContact O-N 3.16Å; T167-S170 PolarHBondContact O-N 3.47Å; T167-G171 PolarHBondContact O-N 2.98Å; T167-Y172 HydrophobicContact CG2-CD2 4.16Å; T167-Y172 HydrophobicContact CG2-CG 4.16Å; T167-Y172 WeakPolarHBondContact O-CD2 3.45Å; T167-Y172 PolarHBondContact O-N 3.3Å; T167-I175 HydrophobicContact CG2-CG1 3.76Å |
| 168 | C | 95.3 | Very high | 96 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 14% | 0.142 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | L164 K165 S170 G171 Y225 | L164-C168 PolarHBondContact O-N 3.46Å; K165-C168 PolarHBondContact O-N 3.35Å; C168-S170 VanDerWaalsContact C-N 3.28Å; C168-S170 PolarHBondContact O-N 3.33Å; C168-G171 WeakPolarHBondContact O-CA 3.33Å; C168-G171 PolarHBondContact O-N 3.21Å; C168-Y225 HydrophobicContact CB-CD1 3.81Å; C168-Y225 HydrophobicContact CB-CG 4.31Å |
| 169 | E | 95.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 17.1 Ų | 17.1 | 24% | 0.243 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.1 | -23.4 | -179.2 | -66.9 | -70.6 | 172.5 | 0 | 0 | 113.1 | K165 T167 G171 W713 R735 | K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.47Å; K165-E169 HydrophobicContact CG-CG 3.77Å; K165-E169 WeakPolarHBondContact O-CB 3.33Å; K165-E169 VanDerWaalsContact O-CG 3.23Å; K165-E169 WeakPolarHBondContact O-CG 3.32Å; K165-E169 PolarHBondContact O-N 2.93Å; T167-E169 PolarHBondContact O-N 3.16Å; E169-G171 PolarHBondContact O-N 2.92Å; E169-W713 HydrophobicContact CB-CD2 3.84Å; E169-W713 HydrophobicContact CB-CE3 3.96Å; E169-W713 HydrophobicContact CB-CH2 3.55Å; E169-W713 HydrophobicContact CB-CZ2 3.48Å; E169-W713 VanDerWaalsContact CB-CZ2 3.48Å; E169-W713 HydrophobicContact CB-CZ3 3.81Å; E169-W713 HydrophobicContact CG-CD2 3.84Å; E169-W713 HydrophobicContact CG-CE3 4.45Å; E169-W713 HydrophobicContact CG-CG 4.16Å; E169-W713 HydrophobicContact CG-CH2 4.36Å; E169-W713 HydrophobicContact CG-CZ2 3.8Å; E169-R735 VanDerWaalsContact O-CD 3.23Å; E169-R735 WeakPolarHBondContact O-CD 3.34Å |
| 170 | S | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -4 | 168.3 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | V166 T167 C168 I731 R734 R735 | V166-S170 VanDerWaalsContact O-CB 3.24Å; V166-S170 WeakPolarHBondContact O-CB 3.2Å; V166-S170 PolarHBondContact O-N 3.34Å; V166-S170 PolarHBondContact O-OG 3.42Å; T167-S170 PolarHBondContact O-N 3.47Å; C168-S170 VanDerWaalsContact C-N 3.28Å; C168-S170 PolarHBondContact O-N 3.33Å; S170-I731 WeakPolarHBondContact OG-CG2 3.36Å; S170-R734 CarbonylContact O-C 3.47Å; S170-R735 WeakPolarHBondContact O-CA 3.26Å; S170-R735 PolarHBondContact O-N 2.81Å; S170-R735 VanDerWaalsContact O-N 3.15Å |
| 171 | G | 95 | Very high | 96.3 | Very high | 17 Ų | 17 | 14 Ų | 14 | 18% | 0.175 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 19.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T167 C168 E169 N738 | T167-G171 PolarHBondContact O-N 2.98Å; C168-G171 WeakPolarHBondContact O-CA 3.33Å; C168-G171 PolarHBondContact O-N 3.21Å; E169-G171 PolarHBondContact O-N 2.92Å; G171-N738 WeakPolarHBondContact O-CB 3.2Å; G171-N738 PolarHBondContact O-ND2 3.25Å; G171-N738 VanDerWaalsContact O-ND2 3.09Å |
| 172 | Y | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 2% | 0.02 | 7% | 0.065 | C | C | . | . | trans | -83.8 | 140.2 | 169.9 | -65.9 | -85.5 | 0 | 0 | 0 | 110.1 | E145 C146 Q147 T167 S689 D694 R734 N738 | E145-Y172 HydrophobicContact CB-CD1 3.88Å; E145-Y172 WeakPolarHBondContact O-CB 3.33Å; C146-Y172 WeakPolarHBondContact O-CE1 3.4Å; Q147-Y172 HydrophobicContact CB-CD1 4.04Å; Q147-Y172 HydrophobicContact CB-CD2 3.88Å; Q147-Y172 HydrophobicContact CB-CE1 4.22Å; Q147-Y172 HydrophobicContact CB-CE2 4.09Å; Q147-Y172 HydrophobicContact CB-CG 3.86Å; Q147-Y172 HydrophobicContact CG-CD2 4.36Å; Q147-Y172 HydrophobicContact CG-CE2 4.13Å; Q147-Y172 VanDerWaalsContact NE2-CE2 3.32Å; T167-Y172 HydrophobicContact CG2-CD2 4.16Å; T167-Y172 HydrophobicContact CG2-CG 4.16Å; T167-Y172 WeakPolarHBondContact O-CD2 3.45Å; T167-Y172 PolarHBondContact O-N 3.3Å; Y172-S689 WeakPolarHBondContact OH-CB 3.4Å; Y172-D694 WeakPolarHBondContact CE2-OD2 3.28Å; Y172-D694 PolarHBondContact OH-OD2 3.01Å; Y172-R734 HydrophobicContact CE2-CG 3.67Å; Y172-R734 WeakPolarHBondContact OH-CD 3.41Å; Y172-R734 VanDerWaalsContact OH-CZ 3.31Å; Y172-R734 PolarHBondContact OH-NE 2.83Å; Y172-R734 VanDerWaalsContact OH-NE 3.1Å; Y172-N738 WeakPolarHBondContact CD1-ND2 3.37Å | ||
| 173 | N | 95.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 9.4 Ų | 9.4 | 6% | 0.064 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -108.3 | 2.7 | 176.9 | 66.9 | 9.6 | 0 | 0 | 0 | 113.6 | S143 M144 E145 A227 F228 | S143-N173 PolarHBondContact O-ND2 3.35Å; M144-N173 WeakPolarHBondContact CA-OD1 3.26Å; E145-N173 PolarHBondContact N-OD1 3.34Å; E145-N173 PolarHBondContact O-N 3.09Å; E145-N173 VanDerWaalsContact O-N 3.09Å; E145-N173 PolarHBondContact O-OD1 3.5Å; E145-N173 PolarHBondContact OE2-ND2 3.38Å; E145-N173 PolarHBondContact OE2-OD1 3.09Å; N173-A227 CarbonylContact O-C 3.51Å; N173-A227 VanDerWaalsContact O-CA 3.3Å; N173-A227 WeakPolarHBondContact O-CA 3.29Å; N173-F228 PolarHBondContact O-N 2.99Å |
| 174 | V | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.2 | 170 | -177.4 | 0 | 0 | 0 | 0 | 110 | M144 E145 C146 Q147 F228 I230 | M144-V174 HydrophobicContact CB-CG2 3.94Å; M144-V174 HydrophobicContact CG-CG2 3.88Å; M144-V174 HydrophobicContact SD-CG2 4.16Å; E145-V174 PolarHBondContact O-N 3.08Å; C146-V174 CarbonylContact C-O 3.51Å; C146-V174 VanDerWaalsContact CA-O 3.27Å; C146-V174 WeakPolarHBondContact CA-O 3.38Å; C146-V174 HydrophobicContact CB-CB 4.04Å; C146-V174 HydrophobicContact CB-CG1 4.19Å; Q147-V174 PolarHBondContact N-O 2.91Å; V174-F228 CarbonylContact C-O 3.58Å; V174-F228 WeakPolarHBondContact CA-O 3.44Å; V174-F228 HydrophobicContact CG2-CB 4.33Å; V174-F228 HydrophobicContact CG2-CD2 4.35Å; V174-I230 HydrophobicContact CG1-CD1 4.01Å; V174-I230 HydrophobicContact CG1-CG1 3.98Å; V174-I230 HydrophobicContact CG1-CG2 4.15Å |
| 175 | I | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.2 | 172.4 | -55.2 | 169.7 | 0 | 0 | 0 | 107.4 | V149 L164 T167 I177 L221 A227 F228 T229 I230 | V149-I175 HydrophobicContact CG2-CG2 4.08Å; L164-I175 HydrophobicContact CB-CD1 4.48Å; L164-I175 HydrophobicContact CD2-CG2 3.91Å; T167-I175 HydrophobicContact CG2-CG1 3.76Å; I175-I177 HydrophobicContact CG2-CD1 4.07Å; I175-I177 HydrophobicContact CG2-CG1 3.65Å; I175-L221 HydrophobicContact CD1-CD1 3.92Å; I175-L221 HydrophobicContact CD1-CD2 4.24Å; I175-A227 HydrophobicContact CD1-CB 4.24Å; I175-A227 HydrophobicContact CG1-CB 4.43Å; I175-F228 PolarHBondContact N-O 2.81Å; I175-T229 HydrophobicContact CB-CG2 4.27Å; I175-T229 HydrophobicContact CG2-CG2 4.47Å; I175-T229 CarbonylContact O-C 3.49Å; I175-T229 VanDerWaalsContact O-CA 3.31Å; I175-T229 WeakPolarHBondContact O-CA 3.37Å; I175-I230 PolarHBondContact O-N 3.22Å |
| 176 | H | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.1 | 171.3 | 169.6 | -131.9 | 0 | 0 | 0 | 109.8 | C146 Q147 T148 V149 I230 D232 R557 | C146-H176 WeakPolarHBondContact SG-CB 3.11Å; Q147-H176 PolarHBondContact O-N 2.97Å; T148-H176 CarbonylContact C-O 3.56Å; T148-H176 WeakPolarHBondContact CA-O 3.37Å; T148-H176 VanDerWaalsContact CG2-ND1 3.3Å; T148-H176 WeakPolarHBondContact CG2-ND1 3.43Å; T148-H176 PolarHBondContact OG1-ND1 3.06Å; V149-H176 WeakPolarHBondContact CG2-O 3.32Å; V149-H176 PolarHBondContact N-O 2.89Å; H176-I230 WeakPolarHBondContact CA-O 3.46Å; H176-I230 HydrophobicContact CB-CD1 4.08Å; H176-I230 HydrophobicContact CB-CG1 3.76Å; H176-D232 IonicContact CE1-OD2 2.98Å; H176-D232 PolarHBondContact CE1-OD2 3.44Å; H176-D232 VanDerWaalsContact CE1-OD2 3.24Å; H176-D232 VanDerWaalsContact NE2-CG 3.32Å; H176-D232 IonicContact NE2-OD1 3.74Å; H176-D232 IonicContact NE2-OD2 2.8Å; H176-D232 PolarHBondContact NE2-OD2 2.84Å; H176-R557 WeakPolarHBondContact CE1-CD 3.24Å |
| 177 | I | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.9 | 180 | -52.4 | -174.3 | 0 | 0 | 0 | 108.9 | V149 A151 L164 I175 I180 T229 I230 S231 | V149-I177 HydrophobicContact CG2-CB 4.33Å; V149-I177 HydrophobicContact CG2-CG1 3.78Å; V149-I177 HydrophobicContact CG2-CG2 4.49Å; A151-I177 HydrophobicContact CB-CG2 3.74Å; L164-I177 HydrophobicContact CD1-CD1 4.15Å; L164-I177 HydrophobicContact CD2-CD1 4.35Å; I175-I177 HydrophobicContact CG2-CD1 4.07Å; I175-I177 HydrophobicContact CG2-CG1 3.65Å; I177-I180 HydrophobicContact CG2-CG2 3.9Å; I177-T229 HydrophobicContact CD1-CG2 3.58Å; I177-T229 HydrophobicContact CG1-CG2 3.82Å; I177-I230 PolarHBondContact N-O 3.26Å; I177-S231 VanDerWaalsContact O-CA 3.25Å; I177-S231 WeakPolarHBondContact O-CA 3.43Å; I177-S231 WeakPolarHBondContact O-CB 3.25Å; I177-S231 PolarHBondContact O-OG 3.13Å |
| 178 | T | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -58.8 | 166.4 | 172.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | V149 L150 A151 I180 | V149-T178 PolarHBondContact O-N 2.89Å; L150-T178 WeakPolarHBondContact CA-OG1 3.44Å; L150-T178 HydrophobicContact CD2-CG2 3.45Å; L150-T178 VanDerWaalsContact CD2-CG2 3.45Å; A151-T178 PolarHBondContact N-OG1 2.69Å; T178-I180 PolarHBondContact O-N 3.07Å | ||
| 179 | P | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | trans | -50.8 | 136.2 | -172 | -28.8 | 38.5 | 0 | 0 | 0 | 113.9 | Q181 S189 Y190 I192 D232 V234 | P179-Q181 VanDerWaalsContact CB-OE1 3.3Å; P179-S189 WeakPolarHBondContact CD-O 3.44Å; P179-S189 WeakPolarHBondContact CG-O 3.43Å; P179-Y190 HydrophobicContact CG-CD1 4.5Å; P179-I192 HydrophobicContact CB-CD1 3.66Å; P179-I192 HydrophobicContact CB-CG1 4.13Å; P179-I192 HydrophobicContact CG-CD1 4.06Å; P179-D232 HydrophobicContact CG-CB 3.93Å; P179-V234 HydrophobicContact CG-CG2 4.02Å | ||
| 180 | I | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | trans | -101.8 | 4.2 | -176 | 61.8 | 161.9 | 0 | 0 | 0 | 112.4 | A151 W160 I177 T178 F198 N199 F202 F211 V214 F553 | A151-I180 HydrophobicContact CB-CG2 4.02Å; W160-I180 HydrophobicContact CH2-CG2 3.95Å; W160-I180 HydrophobicContact CZ3-CG2 4.32Å; I177-I180 HydrophobicContact CG2-CG2 3.9Å; T178-I180 PolarHBondContact O-N 3.07Å; I180-F198 HydrophobicContact CB-CE2 4.4Å; I180-F198 HydrophobicContact CD1-CD2 4.35Å; I180-F198 HydrophobicContact CD1-CE2 4.19Å; I180-N199 WeakPolarHBondContact O-CB 3.47Å; I180-N199 PolarHBondContact O-N 3.41Å; I180-N199 VanDerWaalsContact O-N 3.13Å; I180-F202 HydrophobicContact CB-CE2 4.16Å; I180-F211 HydrophobicContact CD1-CD1 3.67Å; I180-F211 HydrophobicContact CD1-CE1 3.82Å; I180-F211 HydrophobicContact CG1-CD1 4.39Å; I180-F211 HydrophobicContact CG1-CE1 4.03Å; I180-V214 HydrophobicContact CD1-CB 4.45Å; I180-V214 HydrophobicContact CD1-CG1 4.1Å; I180-V214 HydrophobicContact CD1-CG2 4.22Å; I180-F553 HydrophobicContact CD1-CE2 4.13Å; I180-F553 HydrophobicContact CD1-CZ 3.99Å; I180-F553 HydrophobicContact CG1-CZ 4.45Å; I180-F553 HydrophobicContact CG2-CZ 4.44Å | ||
| 181 | Q | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 166.2 | -179.1 | -68 | 71.5 | 28.2 | 0 | 0 | 111.2 | P179 L183 I192 Q195 K197 N199 F211 Y545 | P179-Q181 VanDerWaalsContact CB-OE1 3.3Å; Q181-L183 PolarHBondContact O-N 2.77Å; Q181-I192 HydrophobicContact CB-CD1 4.44Å; Q181-I192 HydrophobicContact CB-CG2 3.57Å; Q181-I192 HydrophobicContact CG-CG2 4.4Å; Q181-Q195 WeakPolarHBondContact CG-O 3.4Å; Q181-K197 CarbonylContact C-O 3.45Å; Q181-K197 VanDerWaalsContact CA-O 3.3Å; Q181-K197 WeakPolarHBondContact CA-O 3.31Å; Q181-N199 WeakPolarHBondContact O-CB 3.4Å; Q181-F211 HydrophobicContact CG-CZ 4.37Å; Q181-Y545 HydrophobicContact CG-CE2 4.2Å |
| 182 | A | 96.2 | Very high | 95 | Very high | 10 Ų | 10 | 14 Ų | 14 | 8% | 0.083 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 121.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A193 D194 K197 | A182-A193 PolarHBondContact O-N 3.32Å; A182-D194 HydrophobicContact CB-CB 4.39Å; A182-D194 PolarHBondContact O-N 3.25Å; A182-K197 HydrophobicContact CB-CB 4.22Å; A182-K197 HydrophobicContact CB-CD 4.43Å; A182-K197 HydrophobicContact CB-CG 4.38Å; A182-K197 PolarHBondContact N-O 2.76Å |
| 183 | L | 95.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 14.1 Ų | 14.1 | 15% | 0.147 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 156.8 | -177.6 | -57.7 | -177.1 | 0 | 0 | 0 | 112.3 | K152 Q181 A193 | K152-L183 HydrophobicContact CB-CD1 4.38Å; K152-L183 HydrophobicContact CD-CD1 4.42Å; Q181-L183 PolarHBondContact O-N 2.77Å; L183-A193 WeakPolarHBondContact O-CB 3.34Å |
| 184 | G | 93.2 | Very high | 95 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | trans | -78 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S186 N187 S191 N241 | G184-S186 PolarHBondContact O-N 3.07Å; G184-S186 VanDerWaalsContact O-N 3.15Å; G184-N187 PolarHBondContact O-N 3.36Å; G184-S191 PolarHBondContact N-O 3.42Å; G184-N241 VanDerWaalsContact CA-OD1 3.28Å; G184-N241 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 185 | I | 90.3 | Very high | 94.9 | Very high | 120 Ų | 120 | 15.6 Ų | 15.6 | 62% | 0.615 | 9% | 0.089 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.3 | -177.1 | 52.4 | 172.6 | 0 | 0 | 0 | 114.6 | N187 K240 N241 | I185-N187 PolarHBondContact O-N 2.95Å; I185-K240 HydrophobicContact CD1-CD 4.29Å; I185-K240 VanDerWaalsContact CD1-CE 3.46Å; I185-K240 HydrophobicContact CD1-CG 4.18Å; I185-K240 HydrophobicContact CG1-CG 4.4Å; I185-N241 HydrophobicContact CD1-CB 4.46Å; I185-N241 HydrophobicContact CG1-CB 4.37Å; I185-N241 HydrophobicContact CG2-CB 4.18Å; I185-N241 PolarHBondContact N-OD1 2.99Å |
| 186 | S | 89.6 | Confident | 94.8 | Very high | 30 Ų | 30 | 19 Ų | 19 | 21% | 0.21 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.8 | 175.1 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | G184 S188 D522 V704 | G184-S186 PolarHBondContact O-N 3.07Å; G184-S186 VanDerWaalsContact O-N 3.15Å; S186-S188 PolarHBondContact O-N 2.74Å; S186-S188 VanDerWaalsContact OG-CB 3.3Å; S186-S188 WeakPolarHBondContact OG-CB 3.31Å; S186-S188 PolarHBondContact OG-N 3Å; S186-D522 WeakPolarHBondContact CB-OD2 3.49Å; S186-D522 PolarHBondContact OG-OD2 3.5Å; S186-V704 WeakPolarHBondContact O-CG1 3.45Å |
| 187 | N | 91.3 | Very high | 94.6 | Very high | 40 Ų | 40 | 24.4 Ų | 24.4 | 21% | 0.214 | 13% | 0.13 | C | C | . | . | trans | 58.4 | 21.5 | -169.9 | -167.1 | 51.5 | 0 | 0 | 0 | 113.1 | K152 G184 I185 | K152-N187 PolarHBondContact NZ-O 3.04Å; G184-N187 PolarHBondContact O-N 3.36Å; I185-N187 PolarHBondContact O-N 2.95Å | ||
| 188 | S | 92.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | trans | -69.6 | 135.9 | 169.9 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | S186 Y190 S191 D522 | S186-S188 PolarHBondContact O-N 2.74Å; S186-S188 VanDerWaalsContact OG-CB 3.3Å; S186-S188 WeakPolarHBondContact OG-CB 3.31Å; S186-S188 PolarHBondContact OG-N 3Å; S188-Y190 PolarHBondContact O-N 2.86Å; S188-Y190 VanDerWaalsContact O-N 3.14Å; S188-Y190 PolarHBondContact OG-N 3.08Å; S188-S191 PolarHBondContact O-N 2.91Å; S188-D522 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 189 | S | 91.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.8 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | P179 V703 | P179-S189 WeakPolarHBondContact CD-O 3.44Å; P179-S189 WeakPolarHBondContact CG-O 3.43Å; S189-V703 PolarHBondContact N-O 2.95Å |
| 190 | Y | 93.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15.2 | -176.9 | -65 | -75.4 | 0 | 0 | 0 | 113.6 | P179 S188 I192 D232 V234 H237 D559 H659 | P179-Y190 HydrophobicContact CG-CD1 4.5Å; S188-Y190 PolarHBondContact O-N 2.86Å; S188-Y190 VanDerWaalsContact O-N 3.14Å; S188-Y190 PolarHBondContact OG-N 3.08Å; Y190-I192 PolarHBondContact O-N 3.45Å; Y190-D232 HydrophobicContact CE1-CB 4.03Å; Y190-D232 WeakPolarHBondContact CE1-OD2 3.4Å; Y190-D232 PolarHBondContact OH-OD2 3.34Å; Y190-V234 HydrophobicContact CD1-CG2 4.02Å; Y190-H237 PolarHBondContact O-NE2 2.87Å; Y190-D559 HydrophobicContact CD1-CB 4.42Å; Y190-D559 HydrophobicContact CE1-CB 4.2Å; Y190-H659 AromaticContact CE2-NE2 3.62Å; Y190-H659 AromaticContact CZ-NE2 3.53Å; Y190-H659 PolarHBondContact OH-CE1 3.11Å; Y190-H659 PolarHBondContact OH-NE2 3.17Å |
| 191 | S | 94.6 | Very high | 94 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | trans | -88.8 | 83.3 | 178.7 | -163 | 0 | 0 | 0 | 0 | 110.3 | G184 S188 A239 D522 S523 | G184-S191 PolarHBondContact N-O 3.42Å; S188-S191 PolarHBondContact O-N 2.91Å; S191-A239 WeakPolarHBondContact OG-CA 3.32Å; S191-A239 WeakPolarHBondContact OG-CB 3.35Å; S191-D522 WeakPolarHBondContact CB-OD2 3.27Å; S191-D522 PolarHBondContact OG-O 3.01Å; S191-S523 PolarHBondContact OG-OG 3.23Å | ||
| 192 | I | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.4 | -175.7 | -55.6 | 173 | 0 | 0 | 0 | 110.7 | P179 Q181 Y190 Q195 V234 T238 A239 S242 | P179-I192 HydrophobicContact CB-CD1 3.66Å; P179-I192 HydrophobicContact CB-CG1 4.13Å; P179-I192 HydrophobicContact CG-CD1 4.06Å; Q181-I192 HydrophobicContact CB-CD1 4.44Å; Q181-I192 HydrophobicContact CB-CG2 3.57Å; Q181-I192 HydrophobicContact CG-CG2 4.4Å; Y190-I192 PolarHBondContact O-N 3.45Å; I192-Q195 HydrophobicContact CG2-CB 4.41Å; I192-Q195 HydrophobicContact CG2-CG 3.92Å; I192-V234 HydrophobicContact CD1-CB 4.04Å; I192-V234 HydrophobicContact CD1-CG2 4.03Å; I192-T238 PolarHBondContact O-OG1 3.4Å; I192-A239 PolarHBondContact O-N 3.37Å; I192-S242 PolarHBondContact O-OG 3.08Å |
| 193 | A | 96 | Very high | 93.8 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A182 L183 A239 S242 W244 | A182-A193 PolarHBondContact O-N 3.32Å; L183-A193 WeakPolarHBondContact O-CB 3.34Å; A193-A239 HydrophobicContact CB-CB 4.19Å; A193-S242 WeakPolarHBondContact CA-OG 3.44Å; A193-S242 WeakPolarHBondContact O-CA 3.34Å; A193-S242 VanDerWaalsContact O-CB 3.22Å; A193-S242 WeakPolarHBondContact O-CB 3.44Å; A193-S242 PolarHBondContact O-OG 3.31Å; A193-W244 PolarHBondContact O-NE1 2.99Å |
| 194 | D | 96 | Very high | 93.4 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 107.3 | 175.5 | -173.7 | -14.1 | 0 | 0 | 0 | 110.2 | A182 L196 K197 | A182-D194 HydrophobicContact CB-CB 4.39Å; A182-D194 PolarHBondContact O-N 3.25Å; D194-L196 PolarHBondContact O-N 3.33Å; D194-L196 PolarHBondContact OD1-N 3.06Å; D194-K197 HydrophobicContact CB-CB 3.86Å; D194-K197 PolarHBondContact O-N 2.93Å |
| 195 | Q | 96 | Very high | 93 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -21.4 | -176.8 | -63.2 | 77.8 | 3.2 | 0 | 0 | 113 | Q181 I192 T238 H541 M542 Y545 | Q181-Q195 WeakPolarHBondContact CG-O 3.4Å; I192-Q195 HydrophobicContact CG2-CB 4.41Å; I192-Q195 HydrophobicContact CG2-CG 3.92Å; Q195-T238 PolarHBondContact NE2-OG1 3.05Å; Q195-H541 PolarHBondContact OE1-NE2 3.37Å; Q195-M542 HydrophobicContact CG-CE 4.13Å; Q195-M542 HydrophobicContact CG-SD 4.29Å; Q195-Y545 HydrophobicContact CB-CD1 3.92Å; Q195-Y545 HydrophobicContact CB-CD2 4.01Å; Q195-Y545 HydrophobicContact CB-CE1 4.44Å; Q195-Y545 HydrophobicContact CB-CG 3.69Å; Q195-Y545 HydrophobicContact CG-CD1 3.93Å; Q195-Y545 HydrophobicContact CG-CE1 4.17Å; Q195-Y545 HydrophobicContact CG-CG 4.24Å |
| 196 | L | 95.9 | Very high | 92.9 | Very high | 70 Ų | 70 | 39 Ų | 39 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 1.2 | -177.8 | -58.9 | -176.8 | 0 | 0 | 0 | 112.7 | D194 F211 H541 K544 | D194-L196 PolarHBondContact O-N 3.33Å; D194-L196 PolarHBondContact OD1-N 3.06Å; L196-F211 WeakPolarHBondContact O-CE2 3.46Å; L196-H541 WeakPolarHBondContact CD1-ND1 3.22Å; L196-K544 HydrophobicContact CD1-CB 4.39Å; L196-K544 HydrophobicContact CD1-CD 4.48Å; L196-K544 HydrophobicContact CD2-CB 3.85Å |
| 197 | K | 95.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 40.2 Ų | 40.2 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.2 | -179.2 | -170.3 | 175.5 | -179.9 | 178.6 | 0 | 111.3 | Q181 A182 D194 | Q181-K197 CarbonylContact C-O 3.45Å; Q181-K197 VanDerWaalsContact CA-O 3.3Å; Q181-K197 WeakPolarHBondContact CA-O 3.31Å; A182-K197 HydrophobicContact CB-CB 4.22Å; A182-K197 HydrophobicContact CB-CD 4.43Å; A182-K197 HydrophobicContact CB-CG 4.38Å; A182-K197 PolarHBondContact N-O 2.76Å; D194-K197 HydrophobicContact CB-CB 3.86Å; D194-K197 PolarHBondContact O-N 2.93Å |
| 198 | F | 95.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 141 | 173.2 | -173.3 | -120.1 | 0 | 0 | 0 | 110.4 | I180 P200 F202 V203 Y209 F211 V214 | I180-F198 HydrophobicContact CB-CE2 4.4Å; I180-F198 HydrophobicContact CD1-CD2 4.35Å; I180-F198 HydrophobicContact CD1-CE2 4.19Å; F198-P200 WeakPolarHBondContact O-CD 3.35Å; F198-F202 HydrophobicContact CE1-CB 3.9Å; F198-F202 HydrophobicContact CE1-CD2 4.25Å; F198-F202 AromaticContact CE2-CD2 3.78Å; F198-F202 HydrophobicContact CE2-CD2 3.78Å; F198-F202 HydrophobicContact CE2-CE2 4.48Å; F198-F202 HydrophobicContact CZ-CB 3.89Å; F198-F202 AromaticContact CZ-CD2 3.63Å; F198-F202 HydrophobicContact CZ-CD2 3.63Å; F198-F202 HydrophobicContact CZ-CG 4.25Å; F198-V203 HydrophobicContact CD1-CG2 4.15Å; F198-V203 HydrophobicContact CE1-CG2 4.14Å; F198-Y209 WeakPolarHBondContact CD1-O 3.43Å; F198-F211 HydrophobicContact CB-CD1 4.48Å; F198-F211 HydrophobicContact CB-CD2 4.28Å; F198-F211 HydrophobicContact CB-CE1 4.21Å; F198-F211 HydrophobicContact CB-CE2 4Å; F198-F211 HydrophobicContact CB-CZ 3.97Å; F198-F211 AromaticContact CD2-CD1 3.92Å; F198-F211 HydrophobicContact CD2-CD1 3.92Å; F198-F211 AromaticContact CD2-CE1 3.89Å; F198-F211 HydrophobicContact CD2-CE1 3.89Å; F198-F211 HydrophobicContact CD2-CZ 4.48Å; F198-F211 VanDerWaalsContact N-CZ 3.35Å; F198-V214 HydrophobicContact CD2-CG2 4.46Å; F198-V214 HydrophobicContact CE2-CG2 3.52Å; F198-V214 HydrophobicContact CZ-CG2 3.77Å |
| 199 | N | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -63.9 | 118.8 | -175 | -171.4 | -15.2 | 0 | 0 | 0 | 111.1 | I180 Q181 D201 F202 | I180-N199 WeakPolarHBondContact O-CB 3.47Å; I180-N199 PolarHBondContact O-N 3.41Å; I180-N199 VanDerWaalsContact O-N 3.13Å; Q181-N199 WeakPolarHBondContact O-CB 3.4Å; N199-D201 PolarHBondContact O-N 3.48Å; N199-D201 WeakPolarHBondContact OD1-CB 3.49Å; N199-D201 PolarHBondContact OD1-N 3.45Å; N199-F202 HydrophobicContact CB-CD2 3.58Å; N199-F202 HydrophobicContact CB-CE1 4.42Å; N199-F202 HydrophobicContact CB-CE2 3.45Å; N199-F202 VanDerWaalsContact CB-CE2 3.45Å; N199-F202 HydrophobicContact CB-CG 4.16Å; N199-F202 HydrophobicContact CB-CZ 3.9Å; N199-F202 PolarHBondContact O-N 3.43Å; N199-F202 VanDerWaalsContact O-N 3.15Å | ||
| 200 | P | 92.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -62.3 | -23.7 | -179.7 | 26 | -35.6 | 0 | 0 | 0 | 113.5 | F198 F202 V203 | F198-P200 WeakPolarHBondContact O-CD 3.35Å; P200-F202 PolarHBondContact O-N 3.22Å; P200-V203 PolarHBondContact O-N 3.04Å |
| 201 | D | 90.9 | Very high | 93 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.5 | 178.9 | -67.7 | -16.2 | 0 | 0 | 0 | 112.8 | N199 V203 | N199-D201 PolarHBondContact O-N 3.48Å; N199-D201 WeakPolarHBondContact OD1-CB 3.49Å; N199-D201 PolarHBondContact OD1-N 3.45Å; D201-V203 VanDerWaalsContact C-N 3.34Å |
| 202 | F | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -84 | -10.3 | 175.5 | -54.9 | -25.9 | 0 | 0 | 0 | 113.1 | A151 F157 W160 I180 F198 N199 P200 P204 | A151-F202 HydrophobicContact CB-CE2 4.45Å; A151-F202 HydrophobicContact CB-CZ 3.94Å; F157-F202 HydrophobicContact CB-CB 4.49Å; F157-F202 WeakPolarHBondContact CB-O 3.25Å; F157-F202 PolarHBondContact N-O 3.45Å; W160-F202 AromaticContact CH2-CD2 3.79Å; W160-F202 HydrophobicContact CH2-CD2 3.79Å; W160-F202 AromaticContact CH2-CE2 3.79Å; W160-F202 HydrophobicContact CH2-CE2 3.79Å; W160-F202 HydrophobicContact CH2-CG 4.35Å; W160-F202 HydrophobicContact CH2-CZ 4.37Å; W160-F202 HydrophobicContact CZ2-CB 4.28Å; W160-F202 AromaticContact CZ2-CD1 3.84Å; W160-F202 HydrophobicContact CZ2-CD1 3.84Å; W160-F202 AromaticContact CZ2-CD2 3.49Å; W160-F202 HydrophobicContact CZ2-CD2 3.49Å; W160-F202 VanDerWaalsContact CZ2-CD2 3.49Å; W160-F202 HydrophobicContact CZ2-CE1 4.03Å; W160-F202 AromaticContact CZ2-CE2 3.66Å; W160-F202 HydrophobicContact CZ2-CE2 3.66Å; W160-F202 AromaticContact CZ2-CG 3.6Å; W160-F202 HydrophobicContact CZ2-CG 3.6Å; W160-F202 AromaticContact CZ2-CZ 3.95Å; W160-F202 HydrophobicContact CZ2-CZ 3.95Å; I180-F202 HydrophobicContact CB-CE2 4.16Å; F198-F202 HydrophobicContact CE1-CB 3.9Å; F198-F202 HydrophobicContact CE1-CD2 4.25Å; F198-F202 AromaticContact CE2-CD2 3.78Å; F198-F202 HydrophobicContact CE2-CD2 3.78Å; F198-F202 HydrophobicContact CE2-CE2 4.48Å; F198-F202 HydrophobicContact CZ-CB 3.89Å; F198-F202 AromaticContact CZ-CD2 3.63Å; F198-F202 HydrophobicContact CZ-CD2 3.63Å; F198-F202 HydrophobicContact CZ-CG 4.25Å; N199-F202 HydrophobicContact CB-CD2 3.58Å; N199-F202 HydrophobicContact CB-CE1 4.42Å; N199-F202 HydrophobicContact CB-CE2 3.45Å; N199-F202 VanDerWaalsContact CB-CE2 3.45Å; N199-F202 HydrophobicContact CB-CG 4.16Å; N199-F202 HydrophobicContact CB-CZ 3.9Å; N199-F202 PolarHBondContact O-N 3.43Å; N199-F202 VanDerWaalsContact O-N 3.15Å; P200-F202 PolarHBondContact O-N 3.22Å; F202-P204 WeakPolarHBondContact O-CD 3.31Å |
| 203 | V | 93.2 | Very high | 93 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -100.2 | 101.1 | -175.8 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | F198 P200 D201 T207 | F198-V203 HydrophobicContact CD1-CG2 4.15Å; F198-V203 HydrophobicContact CE1-CG2 4.14Å; P200-V203 PolarHBondContact O-N 3.04Å; D201-V203 VanDerWaalsContact C-N 3.34Å; V203-T207 WeakPolarHBondContact CG1-O 3.31Å |
| 204 | P | 87.5 | Confident | 93.1 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | trans | -60.8 | 148.2 | 176 | 18.1 | -24.8 | 0 | 0 | 0 | 111.4 | P156 F202 G206 T207 Y209 | P156-P204 HydrophobicContact CB-CB 4.33Å; P156-P204 HydrophobicContact CB-CG 4.03Å; F202-P204 WeakPolarHBondContact O-CD 3.31Å; P204-G206 PolarHBondContact O-N 2.88Å; P204-T207 VanDerWaalsContact CD-OG1 3.28Å; P204-T207 WeakPolarHBondContact CD-OG1 3.46Å; P204-T207 HydrophobicContact CG-CG2 4.04Å; P204-T207 WeakPolarHBondContact CG-OG1 3.28Å; P204-T207 PolarHBondContact O-N 3.24Å; P204-T207 PolarHBondContact O-OG1 3.14Å; P204-Y209 HydrophobicContact CG-CE2 4.17Å | ||
| 205 | A | 84.2 | Confident | 93.1 | Very high | 108 Ų | 108 | 61.5 Ų | 61.5 | 89% | 0.893 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 125.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 206 | G | 86.9 | Confident | 93.2 | Very high | 89 Ų | 89 | 66.8 Ų | 66.8 | 92% | 0.918 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -0.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P204 | P204-G206 PolarHBondContact O-N 2.88Š|
| 207 | T | 89.1 | Confident | 93.2 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | trans | -106.1 | 170.3 | 174.2 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | V203 P204 Y209 | V203-T207 WeakPolarHBondContact CG1-O 3.31Å; P204-T207 VanDerWaalsContact CD-OG1 3.28Å; P204-T207 WeakPolarHBondContact CD-OG1 3.46Å; P204-T207 HydrophobicContact CG-CG2 4.04Å; P204-T207 WeakPolarHBondContact CG-OG1 3.28Å; P204-T207 PolarHBondContact O-N 3.24Å; P204-T207 PolarHBondContact O-OG1 3.14Å; T207-Y209 HydrophobicContact CG2-CE2 4.29Å | ||
| 208 | K | 89.1 | Confident | 93.3 | Very high | 198 Ų | 198 | 59 Ų | 59 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | trans | -131.1 | 119.3 | 168.7 | -68.6 | -174.5 | 179.5 | -177.6 | 0 | 107.3 | ||||
| 209 | Y | 93.7 | Very high | 93.3 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | trans | -128.6 | 145.3 | 169.7 | -65.7 | -67.2 | 0 | 0 | 0 | 109.6 | F157 F198 P204 T207 D213 | F157-Y209 HydrophobicContact CB-CD2 3.94Å; F157-Y209 HydrophobicContact CB-CE2 4.36Å; F157-Y209 HydrophobicContact CB-CG 4.07Å; F157-Y209 AromaticContact CD1-CD1 3.32Å; F157-Y209 HydrophobicContact CD1-CD1 3.32Å; F157-Y209 HydrophobicContact CD1-CD2 4.11Å; F157-Y209 AromaticContact CD1-CE1 3.57Å; F157-Y209 HydrophobicContact CD1-CE1 3.57Å; F157-Y209 HydrophobicContact CD1-CE2 4.32Å; F157-Y209 AromaticContact CD1-CG 3.61Å; F157-Y209 HydrophobicContact CD1-CG 3.61Å; F157-Y209 AromaticContact CE1-CD1 3.81Å; F157-Y209 HydrophobicContact CE1-CD1 3.81Å; F157-Y209 HydrophobicContact CE1-CE1 4.04Å; F157-Y209 HydrophobicContact CE1-CG 4.46Å; F157-Y209 HydrophobicContact CG-CD1 4.27Å; F157-Y209 HydrophobicContact CG-CD2 4.45Å; F157-Y209 HydrophobicContact CG-CG 4.13Å; F198-Y209 WeakPolarHBondContact CD1-O 3.43Å; P204-Y209 HydrophobicContact CG-CE2 4.17Å; T207-Y209 HydrophobicContact CG2-CE2 4.29Å; Y209-D213 VanDerWaalsContact CA-OD2 3.23Å; Y209-D213 WeakPolarHBondContact CA-OD2 3.44Å; Y209-D213 HydrophobicContact CD1-CB 4.1Å | ||
| 210 | D | 94.3 | Very high | 93.3 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 43% | 0.433 | 36% | 0.364 | S | S | . | . | trans | -140 | -172.1 | 178.1 | 67.6 | 32 | 0 | 0 | 0 | 112.6 | N212 D213 V214 | D210-N212 PolarHBondContact O-N 3.46Å; D210-N212 WeakPolarHBondContact OD1-CA 3.47Å; D210-N212 WeakPolarHBondContact OD1-CB 3.49Å; D210-N212 PolarHBondContact OD1-N 2.86Å; D210-D213 PolarHBondContact N-OD2 3.39Å; D210-D213 PolarHBondContact O-N 3.46Å; D210-D213 PolarHBondContact OD1-N 3.02Å; D210-V214 PolarHBondContact O-N 2.92Å | ||
| 211 | F | 95.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 61.3 Ų | 61.3 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -26.4 | 179.9 | -65.9 | -68.6 | 0 | 0 | 0 | 114 | I180 Q181 L196 F198 V214 Q215 | I180-F211 HydrophobicContact CD1-CD1 3.67Å; I180-F211 HydrophobicContact CD1-CE1 3.82Å; I180-F211 HydrophobicContact CG1-CD1 4.39Å; I180-F211 HydrophobicContact CG1-CE1 4.03Å; Q181-F211 HydrophobicContact CG-CZ 4.37Å; L196-F211 WeakPolarHBondContact O-CE2 3.46Å; F198-F211 HydrophobicContact CB-CD1 4.48Å; F198-F211 HydrophobicContact CB-CD2 4.28Å; F198-F211 HydrophobicContact CB-CE1 4.21Å; F198-F211 HydrophobicContact CB-CE2 4Å; F198-F211 HydrophobicContact CB-CZ 3.97Å; F198-F211 AromaticContact CD2-CD1 3.92Å; F198-F211 HydrophobicContact CD2-CD1 3.92Å; F198-F211 AromaticContact CD2-CE1 3.89Å; F198-F211 HydrophobicContact CD2-CE1 3.89Å; F198-F211 HydrophobicContact CD2-CZ 4.48Å; F198-F211 VanDerWaalsContact N-CZ 3.35Å; F211-V214 PolarHBondContact O-N 2.86Å; F211-Q215 PolarHBondContact O-N 3.36Å |
| 212 | N | 95.7 | Very high | 93.7 | Very high | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.7 | -33.7 | 179.3 | -176.1 | 65.8 | 0 | 0 | 0 | 111.1 | D210 Q215 Q216 | D210-N212 PolarHBondContact O-N 3.46Å; D210-N212 WeakPolarHBondContact OD1-CA 3.47Å; D210-N212 WeakPolarHBondContact OD1-CB 3.49Å; D210-N212 PolarHBondContact OD1-N 2.86Å; N212-Q215 WeakPolarHBondContact O-CB 3.27Å; N212-Q215 PolarHBondContact O-N 3.3Å; N212-Q216 PolarHBondContact ND2-NE2 2.91Å; N212-Q216 VanDerWaalsContact ND2-NE2 3.14Å; N212-Q216 WeakPolarHBondContact O-CG 3.33Å; N212-Q216 PolarHBondContact O-N 3.45Å |
| 213 | D | 96.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 21% | 0.214 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 171.9 | -59 | -60.4 | 0 | 0 | 0 | 111.2 | F157 Y209 D210 Q215 Q216 L217 | F157-D213 HydrophobicContact CD1-CB 4.46Å; F157-D213 HydrophobicContact CE1-CB 3.67Å; F157-D213 VanDerWaalsContact CZ-C 3.49Å; F157-D213 HydrophobicContact CZ-CB 3.9Å; F157-D213 WeakPolarHBondContact CZ-O 3.33Å; Y209-D213 VanDerWaalsContact CA-OD2 3.23Å; Y209-D213 WeakPolarHBondContact CA-OD2 3.44Å; Y209-D213 HydrophobicContact CD1-CB 4.1Å; D210-D213 PolarHBondContact N-OD2 3.39Å; D210-D213 PolarHBondContact O-N 3.46Å; D210-D213 PolarHBondContact OD1-N 3.02Å; D213-Q215 VanDerWaalsContact C-N 3.32Å; D213-Q215 PolarHBondContact O-N 2.91Å; D213-Q216 WeakPolarHBondContact O-CB 3.37Å; D213-Q216 PolarHBondContact O-N 3.14Å; D213-L217 PolarHBondContact O-N 2.92Å |
| 214 | V | 96.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | F157 W160 I180 F198 D210 F211 Q216 L217 V218 T552 F553 | F157-V214 HydrophobicContact CD2-CG2 4.14Å; F157-V214 HydrophobicContact CE2-CB 4.23Å; F157-V214 HydrophobicContact CE2-CG2 3.65Å; F157-V214 HydrophobicContact CZ-CG2 4.37Å; W160-V214 HydrophobicContact CZ3-CG1 4.46Å; W160-V214 HydrophobicContact CZ3-CG2 4.46Å; I180-V214 HydrophobicContact CD1-CB 4.45Å; I180-V214 HydrophobicContact CD1-CG1 4.1Å; I180-V214 HydrophobicContact CD1-CG2 4.22Å; F198-V214 HydrophobicContact CD2-CG2 4.46Å; F198-V214 HydrophobicContact CE2-CG2 3.52Å; F198-V214 HydrophobicContact CZ-CG2 3.77Å; D210-V214 PolarHBondContact O-N 2.92Å; F211-V214 PolarHBondContact O-N 2.86Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 2.91Å; V214-L217 PolarHBondContact O-N 2.89Å; V214-L217 VanDerWaalsContact O-N 3.17Å; V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.49Å; V214-V218 PolarHBondContact O-N 2.94Å; V214-T552 HydrophobicContact CB-CG2 4.35Å; V214-T552 HydrophobicContact CG1-CG2 3.93Å; V214-F553 HydrophobicContact CG1-CZ 4.43Å |
| 215 | Q | 96.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 177 | -176.8 | 178.4 | -21.8 | 0 | 0 | 111.8 | F211 N212 D213 V218 E219 T552 | F211-Q215 PolarHBondContact O-N 3.36Å; N212-Q215 WeakPolarHBondContact O-CB 3.27Å; N212-Q215 PolarHBondContact O-N 3.3Å; D213-Q215 VanDerWaalsContact C-N 3.32Å; D213-Q215 PolarHBondContact O-N 2.91Å; Q215-V218 PolarHBondContact O-N 2.94Å; Q215-E219 WeakPolarHBondContact O-CB 3.41Å; Q215-E219 PolarHBondContact O-N 3.15Å; Q215-T552 HydrophobicContact CB-CG2 4.25Å |
| 216 | Q | 97.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 67 Ų | 67 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.9 | -70.5 | 171.7 | 45 | 0 | 0 | 112.1 | N212 D213 V214 E219 K220 | N212-Q216 PolarHBondContact ND2-NE2 2.91Å; N212-Q216 VanDerWaalsContact ND2-NE2 3.14Å; N212-Q216 WeakPolarHBondContact O-CG 3.33Å; N212-Q216 PolarHBondContact O-N 3.45Å; D213-Q216 WeakPolarHBondContact O-CB 3.37Å; D213-Q216 PolarHBondContact O-N 3.14Å; V214-Q216 VanDerWaalsContact C-N 3.3Å; V214-Q216 PolarHBondContact O-N 2.91Å; Q216-E219 PolarHBondContact O-N 3.22Å; Q216-K220 WeakPolarHBondContact O-CB 3.44Å; Q216-K220 PolarHBondContact O-N 3.49Å |
| 217 | L | 97.1 | Very high | 94.8 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.1 | 178.1 | 60.9 | 0 | 0 | 0 | 111.7 | F157 W160 E161 L164 D213 V214 E219 K220 L221 | F157-L217 HydrophobicContact CE2-CD2 3.96Å; F157-L217 HydrophobicContact CZ-CB 4.1Å; F157-L217 HydrophobicContact CZ-CD2 4.16Å; W160-L217 HydrophobicContact CB-CD2 3.87Å; W160-L217 HydrophobicContact CE3-CD2 4.39Å; E161-L217 HydrophobicContact CB-CD1 3.95Å; E161-L217 HydrophobicContact CG-CD1 4.17Å; L164-L217 HydrophobicContact CD1-CD2 4.25Å; D213-L217 PolarHBondContact O-N 2.92Å; V214-L217 PolarHBondContact O-N 2.89Å; V214-L217 VanDerWaalsContact O-N 3.17Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.07Å; L217-K220 WeakPolarHBondContact O-CB 3.42Å; L217-K220 PolarHBondContact O-N 2.92Å; L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.32Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.5Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.87Å |
| 218 | V | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 111 | V214 Q215 K220 L221 H222 T229 T552 F553 H554 | V214-V218 HydrophobicContact CG1-CG2 4.29Å; V214-V218 WeakPolarHBondContact O-CG2 3.49Å; V214-V218 PolarHBondContact O-N 2.94Å; Q215-V218 PolarHBondContact O-N 2.94Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.26Å; V218-L221 PolarHBondContact O-N 3.34Å; V218-H222 WeakPolarHBondContact O-CB 3.49Å; V218-H222 PolarHBondContact O-N 3.31Å; V218-T229 HydrophobicContact CG2-CG2 4.08Å; V218-T552 WeakPolarHBondContact CG1-O 3.21Å; V218-F553 HydrophobicContact CG2-CD1 4.21Å; V218-F553 HydrophobicContact CG2-CE1 4.09Å; V218-H554 VanDerWaalsContact CG1-CE1 3.44Å; V218-H554 WeakPolarHBondContact CG1-CE1 3.19Å |
| 219 | E | 95.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 51 Ų | 51 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -39 | 175.8 | -171.7 | 65.5 | -161.4 | 0 | 0 | 111.8 | Q215 Q216 L217 H222 K223 | Q215-E219 WeakPolarHBondContact O-CB 3.41Å; Q215-E219 PolarHBondContact O-N 3.15Å; Q216-E219 PolarHBondContact O-N 3.22Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.07Å; E219-H222 PolarHBondContact O-N 3.01Å; E219-K223 HydrophobicContact CG-CD 4.24Å; E219-K223 WeakPolarHBondContact O-CB 3.47Å; E219-K223 PolarHBondContact O-N 3.38Å; E219-K223 WeakPolarHBondContact OE1-CD 3.01Å; E219-K223 WeakPolarHBondContact OE1-CE 3.33Å; E219-K223 IonicContact OE1-NZ 3.54Å; E219-K223 PolarHBondContact OE1-NZ 2.94Å |
| 220 | K | 95.7 | Very high | 95.8 | Very high | 66 Ų | 66 | 48 Ų | 48 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.1 | -172.1 | -178.4 | -179.3 | -172.8 | 0 | 111.7 | E161 Q216 L217 V218 H222 K223 E224 | E161-K220 VanDerWaalsContact OE1-CE 3.28Å; E161-K220 WeakPolarHBondContact OE1-CE 3.17Å; E161-K220 IonicContact OE1-NZ 3.63Å; E161-K220 PolarHBondContact OE1-NZ 2.88Å; E161-K220 IonicContact OE2-NZ 3.61Å; E161-K220 PolarHBondContact OE2-NZ 2.93Å; Q216-K220 WeakPolarHBondContact O-CB 3.44Å; Q216-K220 PolarHBondContact O-N 3.49Å; L217-K220 WeakPolarHBondContact O-CB 3.42Å; L217-K220 PolarHBondContact O-N 2.92Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 3.26Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-N 3.35Å; K220-K223 PolarHBondContact O-N 3.29Å; K220-E224 VanDerWaalsContact CE-CD 3.49Å; K220-E224 WeakPolarHBondContact CE-OE1 3.49Å; K220-E224 WeakPolarHBondContact CE-OE2 3.46Å; K220-E224 HydrophobicContact CG-CG 4.14Å; K220-E224 WeakPolarHBondContact O-CB 3.45Å; K220-E224 PolarHBondContact O-N 2.92Å |
| 221 | L | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 176 | -69.4 | 166.5 | 0 | 0 | 0 | 111.6 | L164 I175 L217 V218 Y225 R226 A227 | L164-L221 HydrophobicContact CD1-CD1 3.88Å; I175-L221 HydrophobicContact CD1-CD1 3.92Å; I175-L221 HydrophobicContact CD1-CD2 4.24Å; L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.32Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.5Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.87Å; V218-L221 PolarHBondContact O-N 3.34Å; L221-Y225 HydrophobicContact CD2-CD2 3.86Å; L221-Y225 HydrophobicContact CD2-CE2 4.3Å; L221-Y225 HydrophobicContact CD2-CG 4.25Å; L221-Y225 CarbonylContact O-C 3.56Å; L221-Y225 WeakPolarHBondContact O-CA 3.39Å; L221-Y225 WeakPolarHBondContact O-CB 3.37Å; L221-Y225 PolarHBondContact O-N 3.28Å; L221-Y225 VanDerWaalsContact O-N 3.13Å; L221-R226 PolarHBondContact O-N 3.29Å; L221-A227 CarbonylContact C-O 3.57Å; L221-A227 PolarHBondContact O-N 3.45Å; L221-A227 VanDerWaalsContact O-N 3.11Å |
| 222 | H | 95.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -46.6 | 177.3 | -179.3 | 84 | 0 | 0 | 0 | 113.3 | K131 G133 V218 E219 K220 R226 A227 F228 H554 | K131-H222 PolarHBondContact O-CE1 3.34Å; K131-H222 PolarHBondContact O-NE2 3.44Å; G133-H222 PolarHBondContact N-O 2.74Å; G133-H222 VanDerWaalsContact N-O 3.08Å; V218-H222 WeakPolarHBondContact O-CB 3.49Å; V218-H222 PolarHBondContact O-N 3.31Å; E219-H222 PolarHBondContact O-N 3.01Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-N 3.35Å; H222-R226 WeakPolarHBondContact O-CA 2.99Å; H222-A227 VanDerWaalsContact CA-O 3.25Å; H222-A227 WeakPolarHBondContact CA-O 3.17Å; H222-A227 PolarHBondContact N-O 3Å; H222-F228 AromaticContact CE1-CD1 3.88Å; H222-F228 AromaticContact CE1-CE1 3.53Å; H222-F228 AromaticContact ND1-CD1 3.66Å; H222-F228 AromaticContact ND1-CE1 3.78Å; H222-H554 AromaticContact CE1-CD2 3.98Å; H222-H554 AromaticContact CE1-NE2 3.59Å; H222-H554 AromaticContact CG-CE1 3.9Å; H222-H554 AromaticContact CG-NE2 3.49Å; H222-H554 AromaticContact ND1-CD2 3.77Å; H222-H554 AromaticContact ND1-CE1 3.64Å; H222-H554 AromaticContact ND1-NE2 3.11Å; H222-H554 PolarHBondContact ND1-NE2 2.99Å; H222-H554 VanDerWaalsContact ND1-NE2 3.11Å |
| 223 | K | 94.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.47 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -81.1 | -47.6 | -175.9 | -76.5 | 177.4 | 164.9 | 151.5 | 0 | 113.6 | G133 E219 K220 | G133-K223 WeakPolarHBondContact CA-O 3.37Å; E219-K223 HydrophobicContact CG-CD 4.24Å; E219-K223 WeakPolarHBondContact O-CB 3.47Å; E219-K223 PolarHBondContact O-N 3.38Å; E219-K223 WeakPolarHBondContact OE1-CD 3.01Å; E219-K223 WeakPolarHBondContact OE1-CE 3.33Å; E219-K223 IonicContact OE1-NZ 3.54Å; E219-K223 PolarHBondContact OE1-NZ 2.94Å; K220-K223 PolarHBondContact O-N 3.29Å |
| 224 | E | 94.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 37.1 Ų | 37.1 | 60% | 0.598 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -87.2 | -41.2 | -173 | -62.6 | -177.7 | -165.5 | 0 | 0 | 112.1 | K220 | K220-E224 VanDerWaalsContact CE-CD 3.49Å; K220-E224 WeakPolarHBondContact CE-OE1 3.49Å; K220-E224 WeakPolarHBondContact CE-OE2 3.46Å; K220-E224 HydrophobicContact CG-CG 4.14Å; K220-E224 WeakPolarHBondContact O-CB 3.45Å; K220-E224 PolarHBondContact O-N 2.92Å |
| 225 | Y | 92.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 21% | 0.212 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -99.2 | -1.4 | -175.5 | -63.9 | -91.9 | 0 | 0 | 0 | 113.6 | E161 K165 C168 L221 A227 | E161-Y225 PolarHBondContact OE1-OH 2.7Å; K165-Y225 HydrophobicContact CD-CE1 4.15Å; K165-Y225 HydrophobicContact CG-CE1 3.89Å; C168-Y225 HydrophobicContact CB-CD1 3.81Å; C168-Y225 HydrophobicContact CB-CG 4.31Å; L221-Y225 HydrophobicContact CD2-CD2 3.86Å; L221-Y225 HydrophobicContact CD2-CE2 4.3Å; L221-Y225 HydrophobicContact CD2-CG 4.25Å; L221-Y225 CarbonylContact O-C 3.56Å; L221-Y225 WeakPolarHBondContact O-CA 3.39Å; L221-Y225 WeakPolarHBondContact O-CB 3.37Å; L221-Y225 PolarHBondContact O-N 3.28Å; L221-Y225 VanDerWaalsContact O-N 3.13Å; Y225-A227 PolarHBondContact O-N 3.27Å |
| 226 | R | 94.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 34 Ų | 34 | 42% | 0.419 | 15% | 0.151 | S | C | . | . | trans | 54.5 | 38.4 | -178.2 | -62.7 | 179.3 | 174.5 | -174.5 | -5.3 | 112.3 | Y132 D135 L221 H222 | Y132-R226 HydrophobicContact CD2-CB 3.54Å; Y132-R226 HydrophobicContact CD2-CG 3.79Å; Y132-R226 HydrophobicContact CE2-CB 3.86Å; Y132-R226 HydrophobicContact CE2-CG 4.15Å; Y132-R226 HydrophobicContact CG-CB 4.17Å; D135-R226 IonicContact OD2-NH2 3.73Å; D135-R226 PolarHBondContact OD2-NH2 2.87Å; L221-R226 PolarHBondContact O-N 3.29Å; H222-R226 WeakPolarHBondContact O-CA 2.99Å | ||
| 227 | A | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -120.4 | 124 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N173 I175 L221 H222 Y225 | N173-A227 CarbonylContact O-C 3.51Å; N173-A227 VanDerWaalsContact O-CA 3.3Å; N173-A227 WeakPolarHBondContact O-CA 3.29Å; I175-A227 HydrophobicContact CD1-CB 4.24Å; I175-A227 HydrophobicContact CG1-CB 4.43Å; L221-A227 CarbonylContact C-O 3.57Å; L221-A227 PolarHBondContact O-N 3.45Å; L221-A227 VanDerWaalsContact O-N 3.11Å; H222-A227 VanDerWaalsContact CA-O 3.25Å; H222-A227 WeakPolarHBondContact CA-O 3.17Å; H222-A227 PolarHBondContact N-O 3Å; Y225-A227 PolarHBondContact O-N 3.27Å | ||
| 228 | F | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 152.5 | 167.1 | -61.3 | -72.3 | 0 | 0 | 0 | 110.4 | L130 K131 Y132 C139 N173 V174 I175 H222 H554 | L130-F228 HydrophobicContact CB-CE1 4.05Å; L130-F228 HydrophobicContact CB-CE2 4.11Å; L130-F228 HydrophobicContact CB-CZ 3.55Å; K131-F228 WeakPolarHBondContact O-CE1 3.38Å; K131-F228 WeakPolarHBondContact O-CZ 3.46Å; Y132-F228 HydrophobicContact CD1-CD2 4.28Å; Y132-F228 AromaticContact CD1-CE2 3.49Å; Y132-F228 HydrophobicContact CD1-CE2 3.49Å; Y132-F228 VanDerWaalsContact CD1-CE2 3.49Å; Y132-F228 AromaticContact CD1-CZ 3.76Å; Y132-F228 HydrophobicContact CD1-CZ 3.76Å; Y132-F228 HydrophobicContact CE1-CE2 4.3Å; Y132-F228 HydrophobicContact CG-CE2 4.4Å; Y132-F228 HydrophobicContact CG-CZ 4.32Å; C139-F228 HydrophobicContact CB-CE2 3.75Å; C139-F228 HydrophobicContact CB-CZ 4.13Å; N173-F228 PolarHBondContact O-N 2.99Å; V174-F228 CarbonylContact C-O 3.58Å; V174-F228 WeakPolarHBondContact CA-O 3.44Å; V174-F228 HydrophobicContact CG2-CB 4.33Å; V174-F228 HydrophobicContact CG2-CD2 4.35Å; I175-F228 PolarHBondContact N-O 2.81Å; H222-F228 AromaticContact CE1-CD1 3.88Å; H222-F228 AromaticContact CE1-CE1 3.53Å; H222-F228 AromaticContact ND1-CD1 3.66Å; H222-F228 AromaticContact ND1-CE1 3.78Å; F228-H554 HydrophobicContact CB-CB 4.31Å; F228-H554 HydrophobicContact CD1-CB 4.04Å; F228-H554 AromaticContact CD1-CD2 3.8Å; F228-H554 AromaticContact CD1-CG 3.79Å |
| 229 | T | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.3 | 170.4 | -44.4 | 0 | 0 | 0 | 0 | 109.3 | I175 I177 V218 F553 H554 | I175-T229 HydrophobicContact CB-CG2 4.27Å; I175-T229 HydrophobicContact CG2-CG2 4.47Å; I175-T229 CarbonylContact O-C 3.49Å; I175-T229 VanDerWaalsContact O-CA 3.31Å; I175-T229 WeakPolarHBondContact O-CA 3.37Å; I177-T229 HydrophobicContact CD1-CG2 3.58Å; I177-T229 HydrophobicContact CG1-CG2 3.82Å; V218-T229 HydrophobicContact CG2-CG2 4.08Å; T229-F553 HydrophobicContact CG2-CD1 3.63Å; T229-F553 HydrophobicContact CG2-CE1 3.72Å; T229-H554 PolarHBondContact N-ND1 2.84Å; T229-H554 PolarHBondContact O-N 3.43Å; T229-H554 PolarHBondContact O-ND1 2.77Å |
| 230 | I | 97.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 155.6 | 175.3 | 67.8 | 173.5 | 0 | 0 | 0 | 109.7 | V174 I175 H176 I177 G555 Y584 | V174-I230 HydrophobicContact CG1-CD1 4.01Å; V174-I230 HydrophobicContact CG1-CG1 3.98Å; V174-I230 HydrophobicContact CG1-CG2 4.15Å; I175-I230 PolarHBondContact O-N 3.22Å; H176-I230 WeakPolarHBondContact CA-O 3.46Å; H176-I230 HydrophobicContact CB-CD1 4.08Å; H176-I230 HydrophobicContact CB-CG1 3.76Å; I177-I230 PolarHBondContact N-O 3.26Å; I230-G555 VanDerWaalsContact CA-O 3.26Å; I230-G555 WeakPolarHBondContact CA-O 3.21Å; I230-G555 WeakPolarHBondContact CB-O 3.49Å; I230-Y584 HydrophobicContact CG2-CD1 4.22Å |
| 231 | S | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.6 | 179.1 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | I177 G555 F556 R557 | I177-S231 VanDerWaalsContact O-CA 3.25Å; I177-S231 WeakPolarHBondContact O-CA 3.43Å; I177-S231 WeakPolarHBondContact O-CB 3.25Å; I177-S231 PolarHBondContact O-OG 3.13Å; S231-G555 PolarHBondContact N-O 2.63Å; S231-G555 VanDerWaalsContact N-O 3.13Å; S231-F556 VanDerWaalsContact O-CA 3.27Å; S231-F556 WeakPolarHBondContact O-CA 3.46Å; S231-R557 PolarHBondContact O-N 3.22Å |
| 232 | D | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140 | 170 | -87.3 | -52.1 | 0 | 0 | 0 | 111.1 | H176 P179 Y190 R557 | H176-D232 IonicContact CE1-OD2 2.98Å; H176-D232 PolarHBondContact CE1-OD2 3.44Å; H176-D232 VanDerWaalsContact CE1-OD2 3.24Å; H176-D232 VanDerWaalsContact NE2-CG 3.32Å; H176-D232 IonicContact NE2-OD1 3.74Å; H176-D232 IonicContact NE2-OD2 2.8Å; H176-D232 PolarHBondContact NE2-OD2 2.84Å; P179-D232 HydrophobicContact CG-CB 3.93Å; Y190-D232 HydrophobicContact CE1-CB 4.03Å; Y190-D232 WeakPolarHBondContact CE1-OD2 3.4Å; Y190-D232 PolarHBondContact OH-OD2 3.34Å; D232-R557 WeakPolarHBondContact CA-O 3.27Å; D232-R557 VanDerWaalsContact OD1-CB 3.29Å; D232-R557 WeakPolarHBondContact OD1-CB 3.35Å; D232-R557 WeakPolarHBondContact OD1-CD 3.39Å; D232-R557 WeakPolarHBondContact OD1-CG 3.32Å; D232-R557 IonicContact OD1-CZ 3.67Å; D232-R557 IonicContact OD1-NE 2.69Å; D232-R557 IonicContact OD1-NH1 2.9Å; D232-R557 PolarHBondContact OD1-NH1 3.25Å; D232-R557 IonicContact OD2-NH1 3.71Å |
| 233 | V | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.6 | 167.1 | -69.4 | 0 | 0 | 0 | 0 | 110.1 | W235 Y545 T549 F556 R557 L558 | V233-W235 HydrophobicContact CB-CZ2 4.06Å; V233-W235 HydrophobicContact CG2-CD2 4.31Å; V233-W235 HydrophobicContact CG2-CH2 3.91Å; V233-W235 HydrophobicContact CG2-CZ2 3.59Å; V233-W235 HydrophobicContact CG2-CZ3 4.43Å; V233-Y545 WeakPolarHBondContact CA-OH 3.47Å; V233-T549 HydrophobicContact CG1-CG2 4.01Å; V233-F556 HydrophobicContact CG1-CB 4.44Å; V233-F556 HydrophobicContact CG1-CD1 3.77Å; V233-F556 HydrophobicContact CG1-CD2 3.94Å; V233-F556 HydrophobicContact CG1-CE1 3.94Å; V233-F556 HydrophobicContact CG1-CE2 4.05Å; V233-F556 HydrophobicContact CG1-CG 3.8Å; V233-F556 HydrophobicContact CG1-CZ 4.05Å; V233-F556 HydrophobicContact CG2-CB 4.12Å; V233-F556 HydrophobicContact CG2-CD2 4.08Å; V233-F556 HydrophobicContact CG2-CG 4.15Å; V233-R557 PolarHBondContact N-O 2.86Å; V233-R557 VanDerWaalsContact N-O 3.12Å; V233-L558 HydrophobicContact CG2-CD2 3.39Å |
| 234 | V | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -111 | 101.6 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | P179 Y190 I192 Y545 | P179-V234 HydrophobicContact CG-CG2 4.02Å; Y190-V234 HydrophobicContact CD1-CG2 4.02Å; I192-V234 HydrophobicContact CD1-CB 4.04Å; I192-V234 HydrophobicContact CD1-CG2 4.03Å; V234-Y545 PolarHBondContact N-OH 3.12Å | ||
| 235 | W | 95.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | trans | -105.1 | -23.4 | -179.5 | -60.3 | -32.3 | 0 | 0 | 0 | 113.3 | V233 L526 Y528 T546 F556 L558 T564 A569 L572 L573 | V233-W235 HydrophobicContact CB-CZ2 4.06Å; V233-W235 HydrophobicContact CG2-CD2 4.31Å; V233-W235 HydrophobicContact CG2-CH2 3.91Å; V233-W235 HydrophobicContact CG2-CZ2 3.59Å; V233-W235 HydrophobicContact CG2-CZ3 4.43Å; W235-L526 WeakPolarHBondContact O-CD1 3.5Å; W235-Y528 WeakPolarHBondContact O-CE2 3.26Å; W235-Y528 PolarHBondContact O-OH 3.02Å; W235-T546 HydrophobicContact CZ2-CG2 3.97Å; W235-T546 PolarHBondContact NE1-OG1 3.46Å; W235-F556 HydrophobicContact CZ2-CD2 4.49Å; W235-F556 HydrophobicContact CZ2-CE2 4.44Å; W235-L558 HydrophobicContact CH2-CD2 3.71Å; W235-L558 HydrophobicContact CZ3-CD2 3.73Å; W235-T564 HydrophobicContact CB-CG2 4.08Å; W235-T564 HydrophobicContact CE3-CG2 4.23Å; W235-A569 HydrophobicContact CE3-CB 4.12Å; W235-A569 HydrophobicContact CZ3-CB 3.87Å; W235-L572 HydrophobicContact CB-CD1 4.16Å; W235-L572 HydrophobicContact CD2-CB 4.29Å; W235-L572 HydrophobicContact CD2-CD1 3.54Å; W235-L572 HydrophobicContact CE3-CD1 4.15Å; W235-L572 HydrophobicContact CG-CD1 3.53Å; W235-L572 HydrophobicContact CH2-CB 4Å; W235-L572 HydrophobicContact CZ2-CB 3.7Å; W235-L572 HydrophobicContact CZ2-CD1 4.39Å; W235-L572 HydrophobicContact CZ3-CB 4.39Å; W235-L573 HydrophobicContact CH2-CD2 3.78Å; W235-L573 HydrophobicContact CH2-CG 3.71Å; W235-L573 HydrophobicContact CZ3-CG 4.22Å | ||
| 236 | N | 92.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -76.2 | -25.7 | -174.2 | 54.5 | -8.5 | 0 | 0 | 0 | 113.8 | K525 L526 | N236-K525 WeakPolarHBondContact O-CD 3.36Å; N236-K525 PolarHBondContact O-NZ 2.87Å; N236-L526 PolarHBondContact O-N 3.43Å; N236-L526 VanDerWaalsContact O-N 3.16Å |
| 237 | H | 94.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 169.1 | -173.6 | 66.2 | -94.5 | 0 | 0 | 0 | 114.7 | Y190 W520 S523 V524 | Y190-H237 PolarHBondContact O-NE2 2.87Å; H237-W520 AromaticContact CE1-CZ3 3.92Å; H237-W520 AromaticContact ND1-CZ3 3.7Å; H237-S523 WeakPolarHBondContact CD2-CB 3.4Å; H237-S523 PolarHBondContact CD2-OG 3.2Å; H237-S523 PolarHBondContact NE2-OG 3.42Å; H237-V524 CarbonylContact C-O 3.56Å; H237-V524 WeakPolarHBondContact CA-O 3.07Å; H237-V524 VanDerWaalsContact CB-O 3.24Å; H237-V524 WeakPolarHBondContact CB-O 3.48Å |
| 238 | T | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 165.2 | 171.3 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | I192 Q195 S242 W244 L245 S523 V524 L526 | I192-T238 PolarHBondContact O-OG1 3.4Å; Q195-T238 PolarHBondContact NE2-OG1 3.05Å; T238-S242 PolarHBondContact OG1-OG 2.94Å; T238-W244 HydrophobicContact CG2-CH2 4.08Å; T238-W244 HydrophobicContact CG2-CZ2 3.74Å; T238-L245 HydrophobicContact CG2-CD2 4.2Å; T238-S523 CarbonylContact O-C 3.51Å; T238-S523 VanDerWaalsContact O-CA 3.31Å; T238-S523 WeakPolarHBondContact O-CA 3.48Å; T238-V524 HydrophobicContact CG2-CB 4.49Å; T238-V524 PolarHBondContact N-O 3.44Å; T238-V524 PolarHBondContact O-N 3Å; T238-L526 HydrophobicContact CG2-CD2 3.86Å |
| 239 | A | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 147.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S191 I192 A193 N241 S242 | S191-A239 WeakPolarHBondContact OG-CA 3.32Å; S191-A239 WeakPolarHBondContact OG-CB 3.35Å; I192-A239 PolarHBondContact O-N 3.37Å; A193-A239 HydrophobicContact CB-CB 4.19Å; A239-N241 PolarHBondContact O-N 3.42Å; A239-N241 VanDerWaalsContact O-N 3.09Å; A239-S242 PolarHBondContact N-OG 2.86Å; A239-S242 WeakPolarHBondContact O-CB 3.38Å; A239-S242 PolarHBondContact O-N 3.37Å; A239-S242 VanDerWaalsContact O-N 3.1Å; A239-S242 PolarHBondContact O-OG 3.4Å |
| 240 | K | 92.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 29.2 Ų | 29.2 | 27% | 0.274 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20 | 177.7 | 63.5 | 178 | 169.4 | -165.9 | 0 | 114.8 | I185 L469 R471 G521 D522 V524 | I185-K240 HydrophobicContact CD1-CD 4.29Å; I185-K240 VanDerWaalsContact CD1-CE 3.46Å; I185-K240 HydrophobicContact CD1-CG 4.18Å; I185-K240 HydrophobicContact CG1-CG 4.4Å; K240-L469 HydrophobicContact CB-CD1 4.21Å; K240-L469 HydrophobicContact CB-CD2 3.83Å; K240-L469 HydrophobicContact CD-CD1 4.35Å; K240-L469 WeakPolarHBondContact O-CD2 3.08Å; K240-R471 PolarHBondContact O-NH2 2.9Å; K240-G521 WeakPolarHBondContact CD-O 3.4Å; K240-G521 PolarHBondContact NZ-O 3.43Å; K240-D522 PolarHBondContact N-O 3.17Å; K240-V524 HydrophobicContact CB-CG2 4.16Å |
| 241 | N | 92.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 29.1 Ų | 29.1 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 16.6 | 178.7 | 71.6 | -67.3 | 0 | 0 | 0 | 113.7 | G184 I185 A239 P243 | G184-N241 VanDerWaalsContact CA-OD1 3.28Å; G184-N241 WeakPolarHBondContact CA-OD1 3.45Å; I185-N241 HydrophobicContact CD1-CB 4.46Å; I185-N241 HydrophobicContact CG1-CB 4.37Å; I185-N241 HydrophobicContact CG2-CB 4.18Å; I185-N241 PolarHBondContact N-OD1 2.99Å; A239-N241 PolarHBondContact O-N 3.42Å; A239-N241 VanDerWaalsContact O-N 3.09Å; N241-P243 WeakPolarHBondContact O-CD 3.46Å |
| 242 | S | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -58.3 | 122.3 | 176.8 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | I192 A193 T238 A239 W244 L245 | I192-S242 PolarHBondContact O-OG 3.08Å; A193-S242 WeakPolarHBondContact CA-OG 3.44Å; A193-S242 WeakPolarHBondContact O-CA 3.34Å; A193-S242 VanDerWaalsContact O-CB 3.22Å; A193-S242 WeakPolarHBondContact O-CB 3.44Å; A193-S242 PolarHBondContact O-OG 3.31Å; T238-S242 PolarHBondContact OG1-OG 2.94Å; A239-S242 PolarHBondContact N-OG 2.86Å; A239-S242 WeakPolarHBondContact O-CB 3.38Å; A239-S242 PolarHBondContact O-N 3.37Å; A239-S242 VanDerWaalsContact O-N 3.1Å; A239-S242 PolarHBondContact O-OG 3.4Å; S242-W244 PolarHBondContact O-N 3.38Å; S242-L245 WeakPolarHBondContact O-CB 3.42Å; S242-L245 PolarHBondContact O-N 3.49Å | ||
| 243 | P | 91.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 29.2 Ų | 29.2 | 51% | 0.513 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -43.9 | -175.4 | -24.7 | 33.9 | 0 | 0 | 0 | 113.3 | N241 L245 L246 | N241-P243 WeakPolarHBondContact O-CD 3.46Å; P243-L245 PolarHBondContact O-N 3.18Å; P243-L245 VanDerWaalsContact O-N 3.17Å; P243-L246 WeakPolarHBondContact O-CB 3.44Å; P243-L246 PolarHBondContact O-N 3.05Å; P243-L246 VanDerWaalsContact O-N 3.12Å |
| 244 | W | 94.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -22.6 | -178.1 | 60.5 | -97.7 | 0 | 0 | 0 | 113.1 | A193 T238 S242 L246 E247 H248 C251 L526 Y537 L538 H541 M542 | A193-W244 PolarHBondContact O-NE1 2.99Å; T238-W244 HydrophobicContact CG2-CH2 4.08Å; T238-W244 HydrophobicContact CG2-CZ2 3.74Å; S242-W244 PolarHBondContact O-N 3.38Å; W244-L246 VanDerWaalsContact C-N 3.27Å; W244-L246 PolarHBondContact O-N 3.38Å; W244-E247 PolarHBondContact O-N 3.16Å; W244-H248 PolarHBondContact O-N 3Å; W244-C251 HydrophobicContact CH2-CB 4.43Å; W244-C251 HydrophobicContact CZ3-CB 3.71Å; W244-L526 HydrophobicContact CH2-CD2 3.7Å; W244-L526 HydrophobicContact CZ2-CD2 4.45Å; W244-Y537 HydrophobicContact CD2-CE1 4.38Å; W244-Y537 HydrophobicContact CE3-CD1 4.46Å; W244-Y537 AromaticContact CE3-CE1 3.75Å; W244-Y537 HydrophobicContact CE3-CE1 3.75Å; W244-Y537 HydrophobicContact CZ3-CE1 4.31Å; W244-L538 HydrophobicContact CH2-CD1 4.23Å; W244-H541 AromaticContact NE1-NE2 4Å; W244-M542 HydrophobicContact CH2-CE 4.41Å; W244-M542 HydrophobicContact CZ2-CE 4.3Å |
| 245 | L | 92.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.1 | -19.6 | 178.9 | -166.5 | 65.5 | 0 | 0 | 0 | 112.9 | T238 S242 P243 H248 P249 C251 A252 L493 V524 | T238-L245 HydrophobicContact CG2-CD2 4.2Å; S242-L245 WeakPolarHBondContact O-CB 3.42Å; S242-L245 PolarHBondContact O-N 3.49Å; P243-L245 PolarHBondContact O-N 3.18Å; P243-L245 VanDerWaalsContact O-N 3.17Å; L245-H248 CarbonylContact O-C 3.51Å; L245-P249 WeakPolarHBondContact O-CA 3.24Å; L245-C251 HydrophobicContact CD1-CB 4.34Å; L245-A252 HydrophobicContact CD1-CB 4.02Å; L245-L493 HydrophobicContact CD1-CD1 4.27Å; L245-L493 HydrophobicContact CD2-CD1 3.41Å; L245-L493 VanDerWaalsContact CD2-CD1 3.41Å; L245-L493 HydrophobicContact CG-CD1 3.64Å; L245-V524 HydrophobicContact CD2-CB 4.1Å; L245-V524 HydrophobicContact CD2-CG1 3.99Å; L245-V524 HydrophobicContact CD2-CG2 4.09Å |
| 246 | L | 90.7 | Very high | 94 | Very high | 104 Ų | 104 | 32.9 Ų | 32.9 | 55% | 0.545 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -73.9 | -33.2 | 171.9 | -64.7 | 173.4 | 0 | 0 | 0 | 111.5 | P243 W244 | P243-L246 WeakPolarHBondContact O-CB 3.44Å; P243-L246 PolarHBondContact O-N 3.05Å; P243-L246 VanDerWaalsContact O-N 3.12Å; W244-L246 VanDerWaalsContact C-N 3.27Å; W244-L246 PolarHBondContact O-N 3.38Å |
| 247 | E | 92.7 | Very high | 94.1 | Very high | 148 Ų | 148 | 35 Ų | 35 | 69% | 0.692 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -80.2 | -36.3 | 176.8 | -63.9 | 178.4 | -178.1 | 0 | 0 | 111.2 | W244 P249 | W244-E247 PolarHBondContact O-N 3.16Å; E247-P249 VanDerWaalsContact O-CD 3.28Å; E247-P249 WeakPolarHBondContact O-CD 3.28Å |
| 248 | H | 95.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 35.5 Ų | 35.5 | 22% | 0.222 | 19% | 0.185 | C | C | . | . | trans | -121.5 | 61.9 | -175.6 | -67.1 | -74 | 0 | 0 | 0 | 113.6 | W244 L245 E250 C251 Y537 | W244-H248 PolarHBondContact O-N 3Å; L245-H248 CarbonylContact O-C 3.51Å; H248-E250 VanDerWaalsContact CA-OE2 3.24Å; H248-E250 WeakPolarHBondContact CA-OE2 3.33Å; H248-E250 WeakPolarHBondContact CB-OE1 3.48Å; H248-E250 IonicContact CG-OE1 3.97Å; H248-E250 IonicContact ND1-OE1 2.89Å; H248-E250 PolarHBondContact ND1-OE1 3.14Å; H248-E250 PolarHBondContact O-N 3.21Å; H248-E250 VanDerWaalsContact O-N 3.16Å; H248-C251 WeakPolarHBondContact O-CB 3.37Å; H248-C251 PolarHBondContact O-N 2.87Å; H248-C251 VanDerWaalsContact O-N 3.14Å; H248-Y537 HydrophobicContact CB-CD1 3.98Å; H248-Y537 HydrophobicContact CB-CE1 4.24Å; H248-Y537 HydrophobicContact CB-CG 4.44Å; H248-Y537 AromaticContact CD2-CD1 3.85Å; H248-Y537 AromaticContact CD2-CD2 3.72Å; H248-Y537 AromaticContact CD2-CE1 3.68Å; H248-Y537 AromaticContact CD2-CE2 3.52Å; H248-Y537 AromaticContact CD2-CG 3.86Å; H248-Y537 AromaticContact CD2-CZ 3.5Å; H248-Y537 AromaticContact CE1-CD2 3.69Å; H248-Y537 AromaticContact CE1-CG 3.94Å; H248-Y537 AromaticContact CG-CD1 3.75Å; H248-Y537 AromaticContact CG-CE1 3.99Å; H248-Y537 AromaticContact CG-CG 3.79Å; H248-Y537 AromaticContact ND1-CG 3.85Å; H248-Y537 AromaticContact NE2-CD2 3.44Å; H248-Y537 WeakPolarHBondContact NE2-CD2 3.47Å; H248-Y537 AromaticContact NE2-CE2 3.4Å; H248-Y537 WeakPolarHBondContact NE2-CE2 3.43Å; H248-Y537 AromaticContact NE2-CG 3.95Å; H248-Y537 AromaticContact NE2-CZ 3.91Å | ||
| 249 | P | 94.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.071 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63.8 | -18.4 | -179 | 26.3 | -34.4 | 0 | 0 | 0 | 113.9 | L245 E247 C251 A252 N254 K490 L493 | L245-P249 WeakPolarHBondContact O-CA 3.24Å; E247-P249 VanDerWaalsContact O-CD 3.28Å; E247-P249 WeakPolarHBondContact O-CD 3.28Å; P249-C251 PolarHBondContact O-N 3.49Å; P249-A252 PolarHBondContact O-N 3.29Å; P249-N254 PolarHBondContact O-ND2 3.22Å; P249-K490 WeakPolarHBondContact CB-O 3.47Å; P249-K490 HydrophobicContact CG-CB 4.45Å; P249-K490 HydrophobicContact CG-CD 4.34Å; P249-K490 HydrophobicContact CG-CG 4.14Å; P249-L493 HydrophobicContact CB-CD2 4.43Å |
| 250 | E | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -65.8 | -18 | 174.8 | 73 | -75.1 | 177.4 | 0 | 0 | 114.1 | H248 A252 N257 R527 | H248-E250 VanDerWaalsContact CA-OE2 3.24Å; H248-E250 WeakPolarHBondContact CA-OE2 3.33Å; H248-E250 WeakPolarHBondContact CB-OE1 3.48Å; H248-E250 IonicContact CG-OE1 3.97Å; H248-E250 IonicContact ND1-OE1 2.89Å; H248-E250 PolarHBondContact ND1-OE1 3.14Å; H248-E250 PolarHBondContact O-N 3.21Å; H248-E250 VanDerWaalsContact O-N 3.16Å; E250-A252 PolarHBondContact O-N 3.49Å; E250-N257 PolarHBondContact O-ND2 2.85Å; E250-R527 PolarHBondContact O-NE 3.05Å; E250-R527 PolarHBondContact O-NH2 3.4Å; E250-R527 VanDerWaalsContact O-NH2 3.13Å |
| 251 | C | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -73.5 | -11.8 | 176.8 | -65 | 0 | 0 | 0 | 0 | 113.5 | W244 L245 H248 P249 L526 R527 C535 L538 | W244-C251 HydrophobicContact CH2-CB 4.43Å; W244-C251 HydrophobicContact CZ3-CB 3.71Å; L245-C251 HydrophobicContact CD1-CB 4.34Å; H248-C251 WeakPolarHBondContact O-CB 3.37Å; H248-C251 PolarHBondContact O-N 2.87Å; H248-C251 VanDerWaalsContact O-N 3.14Å; P249-C251 PolarHBondContact O-N 3.49Å; C251-L526 WeakPolarHBondContact O-CA 3.41Å; C251-R527 PolarHBondContact O-N 3.17Å; C251-C535 VanDerWaalsContact SG-SG 3.64Å; C251-L538 HydrophobicContact CB-CB 4.17Å; C251-L538 HydrophobicContact CB-CD1 4.45Å; C251-L538 HydrophobicContact CB-CD2 4.45Å |
| 252 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 160.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | L245 P249 E250 N254 N257 L493 V524 K525 | L245-A252 HydrophobicContact CD1-CB 4.02Å; P249-A252 PolarHBondContact O-N 3.29Å; E250-A252 PolarHBondContact O-N 3.49Å; A252-N254 PolarHBondContact O-N 3.46Å; A252-N257 PolarHBondContact O-ND2 3.06Å; A252-L493 HydrophobicContact CB-CB 4.22Å; A252-L493 HydrophobicContact CB-CD1 4.23Å; A252-L493 HydrophobicContact CB-CD2 4.09Å; A252-L493 HydrophobicContact CB-CG 4.4Å; A252-V524 HydrophobicContact CB-CG1 3.47Å; A252-V524 VanDerWaalsContact CB-CG1 3.47Å; A252-K525 WeakPolarHBondContact CA-O 3.4Å |
| 253 | F | 94.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | trans | -65.1 | 120.2 | 167.8 | -72.5 | -88.6 | 0 | 0 | 0 | 109.1 | T258 L261 L493 A494 A509 E510 K525 L526 R527 | F253-T258 HydrophobicContact CD1-CG2 3.72Å; F253-T258 HydrophobicContact CE1-CG2 4.1Å; F253-L261 HydrophobicContact CB-CD1 4.11Å; F253-L493 CarbonylContact O-C 3.47Å; F253-L493 WeakPolarHBondContact O-CA 3.43Å; F253-A494 HydrophobicContact CB-CB 3.84Å; F253-A494 PolarHBondContact O-N 3.38Å; F253-A509 HydrophobicContact CD1-CB 3.91Å; F253-A509 HydrophobicContact CD2-CB 4.02Å; F253-A509 HydrophobicContact CE1-CB 3.64Å; F253-A509 HydrophobicContact CE2-CB 3.74Å; F253-A509 HydrophobicContact CG-CB 4.11Å; F253-A509 HydrophobicContact CZ-CB 3.56Å; F253-E510 HydrophobicContact CE1-CG 4.22Å; F253-E510 HydrophobicContact CZ-CG 4.49Å; F253-K525 HydrophobicContact CD2-CB 4.13Å; F253-K525 HydrophobicContact CD2-CG 3.71Å; F253-K525 HydrophobicContact CE2-CG 3.85Å; F253-L526 WeakPolarHBondContact CE2-O 3.4Å; F253-R527 HydrophobicContact CD1-CB 4.4Å; F253-R527 HydrophobicContact CD1-CG 4.07Å; F253-R527 HydrophobicContact CD2-CB 3.76Å; F253-R527 HydrophobicContact CD2-CG 4.27Å; F253-R527 HydrophobicContact CE1-CB 4.36Å; F253-R527 HydrophobicContact CE1-CG 3.8Å; F253-R527 HydrophobicContact CE2-CB 3.73Å; F253-R527 HydrophobicContact CE2-CG 4.02Å; F253-R527 HydrophobicContact CG-CB 4.11Å; F253-R527 HydrophobicContact CG-CG 4.28Å; F253-R527 HydrophobicContact CZ-CB 4.02Å; F253-R527 HydrophobicContact CZ-CG 3.76Å | ||
| 254 | N | 94.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -139.5 | 169.8 | -178.2 | 70.8 | 44.8 | 0 | 0 | 0 | 112 | P249 A252 V256 N257 T258 K490 I492 L493 | P249-N254 PolarHBondContact O-ND2 3.22Å; A252-N254 PolarHBondContact O-N 3.46Å; N254-V256 PolarHBondContact O-N 2.99Å; N254-V256 VanDerWaalsContact O-N 3.09Å; N254-V256 WeakPolarHBondContact OD1-CA 3.44Å; N254-V256 WeakPolarHBondContact OD1-CB 3.43Å; N254-V256 PolarHBondContact OD1-N 3.43Å; N254-N257 PolarHBondContact N-OD1 3.48Å; N254-N257 PolarHBondContact ND2-ND2 3.12Å; N254-N257 VanDerWaalsContact ND2-ND2 3.18Å; N254-N257 PolarHBondContact O-N 3.28Å; N254-N257 PolarHBondContact O-OD1 3.33Å; N254-N257 VanDerWaalsContact O-OD1 3.1Å; N254-N257 VanDerWaalsContact OD1-CG 3.26Å; N254-N257 PolarHBondContact OD1-N 3.34Å; N254-N257 PolarHBondContact OD1-OD1 3.38Å; N254-T258 PolarHBondContact N-OG1 3.02Å; N254-T258 PolarHBondContact O-N 3.3Å; N254-T258 PolarHBondContact O-OG1 3.24Å; N254-K490 WeakPolarHBondContact CB-O 3.26Å; N254-K490 PolarHBondContact ND2-O 2.71Å; N254-I492 VanDerWaalsContact CA-O 3.28Å; N254-I492 WeakPolarHBondContact CA-O 3.32Å; N254-I492 VanDerWaalsContact CB-O 3.31Å; N254-I492 WeakPolarHBondContact CB-O 3.42Å; N254-L493 HydrophobicContact CB-CD2 3.88Å |
| 255 | L | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.7 | -172 | -55.4 | -174.3 | 0 | 0 | 0 | 114.9 | L261 R262 F265 F468 M484 A489 I492 | L255-L261 HydrophobicContact CD2-CB 4.04Å; L255-R262 HydrophobicContact CB-CG 4.24Å; L255-R262 HydrophobicContact CD2-CG 4.25Å; L255-R262 PolarHBondContact O-NE 3.36Å; L255-R262 VanDerWaalsContact O-NE 3.14Å; L255-R262 PolarHBondContact O-NH2 3.34Å; L255-F265 HydrophobicContact CD1-CB 3.92Å; L255-F265 HydrophobicContact CD1-CD1 3.57Å; L255-F265 HydrophobicContact CD1-CD2 4.17Å; L255-F265 HydrophobicContact CD1-CE1 4.11Å; L255-F265 HydrophobicContact CD1-CG 3.6Å; L255-F265 HydrophobicContact CD2-CB 3.93Å; L255-F265 HydrophobicContact CD2-CG 4.47Å; L255-F468 HydrophobicContact CD2-CE1 4.03Å; L255-M484 HydrophobicContact CD1-CB 3.71Å; L255-A489 HydrophobicContact CB-CB 4.13Å; L255-A489 PolarHBondContact N-O 2.94Å; L255-I492 HydrophobicContact CD1-CB 4.09Å; L255-I492 HydrophobicContact CD1-CD1 3.89Å; L255-I492 HydrophobicContact CD1-CG2 3.93Å; L255-I492 HydrophobicContact CG-CB 4.15Å; L255-I492 HydrophobicContact CG-CG2 4.14Å |
| 256 | V | 93.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 32.9 Ų | 32.9 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -51.3 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | N254 A489 K490 | N254-V256 PolarHBondContact O-N 2.99Å; N254-V256 VanDerWaalsContact O-N 3.09Å; N254-V256 WeakPolarHBondContact OD1-CA 3.44Å; N254-V256 WeakPolarHBondContact OD1-CB 3.43Å; N254-V256 PolarHBondContact OD1-N 3.43Å; V256-A489 HydrophobicContact CG2-CB 3.81Å; V256-K490 HydrophobicContact CG2-CB 4.04Å |
| 257 | N | 92.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.2 | -179.2 | 66.9 | 22.1 | 0 | 0 | 0 | 113.6 | E250 A252 N254 R527 | E250-N257 PolarHBondContact O-ND2 2.85Å; A252-N257 PolarHBondContact O-ND2 3.06Å; N254-N257 PolarHBondContact N-OD1 3.48Å; N254-N257 PolarHBondContact ND2-ND2 3.12Å; N254-N257 VanDerWaalsContact ND2-ND2 3.18Å; N254-N257 PolarHBondContact O-N 3.28Å; N254-N257 PolarHBondContact O-OD1 3.33Å; N254-N257 VanDerWaalsContact O-OD1 3.1Å; N254-N257 VanDerWaalsContact OD1-CG 3.26Å; N254-N257 PolarHBondContact OD1-N 3.34Å; N254-N257 PolarHBondContact OD1-OD1 3.38Å; N257-R527 WeakPolarHBondContact ND2-CD 3.42Å; N257-R527 PolarHBondContact ND2-NE 3.39Å; N257-R527 VanDerWaalsContact ND2-NE 3.11Å |
| 258 | T | 92.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 22.2 Ų | 22.2 | 9% | 0.092 | 12% | 0.124 | C | C | . | . | trans | -137 | 72.1 | 176.5 | 32.8 | 0 | 0 | 0 | 0 | 111.8 | F253 N254 H260 L261 | F253-T258 HydrophobicContact CD1-CG2 3.72Å; F253-T258 HydrophobicContact CE1-CG2 4.1Å; N254-T258 PolarHBondContact N-OG1 3.02Å; N254-T258 PolarHBondContact O-N 3.3Å; N254-T258 PolarHBondContact O-OG1 3.24Å; T258-H260 PolarHBondContact O-N 2.63Å; T258-H260 VanDerWaalsContact O-N 3.1Å; T258-L261 WeakPolarHBondContact O-CB 3.45Å; T258-L261 PolarHBondContact O-N 3.09Å; T258-L261 VanDerWaalsContact O-N 3.09Å | ||
| 259 | P | 91.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 20.4 Ų | 20.4 | 17% | 0.169 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59 | -23.3 | -176 | -26.1 | 35.9 | 0 | 0 | 0 | 115.1 | L261 R262 Q373 Y375 | P259-L261 PolarHBondContact O-N 3.19Å; P259-L261 VanDerWaalsContact O-N 3.09Å; P259-R262 WeakPolarHBondContact O-CB 3.36Å; P259-R262 VanDerWaalsContact O-CG 3.31Å; P259-R262 WeakPolarHBondContact O-CG 3.28Å; P259-R262 PolarHBondContact O-N 2.95Å; P259-Q373 VanDerWaalsContact CB-O 3.25Å; P259-Q373 WeakPolarHBondContact CB-O 3.01Å; P259-Y375 HydrophobicContact CB-CD2 4.38Å; P259-Y375 WeakPolarHBondContact O-CD2 3.44Å |
| 260 | H | 90.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 20.1 Ų | 20.1 | 19% | 0.194 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -62.1 | -15.4 | 176.1 | 71 | -77.7 | 0 | 0 | 0 | 113.8 | T258 R262 P263 Y375 A509 P511 | T258-H260 PolarHBondContact O-N 2.63Å; T258-H260 VanDerWaalsContact O-N 3.1Å; H260-R262 VanDerWaalsContact C-N 3.35Å; H260-P263 WeakPolarHBondContact O-CD 3.36Å; H260-Y375 HydrophobicContact CB-CE2 3.79Å; H260-Y375 WeakPolarHBondContact CB-OH 3.26Å; H260-A509 PolarHBondContact CE1-O 3.04Å; H260-A509 PolarHBondContact NE2-O 2.93Å; H260-P511 HydrophobicContact CB-CG 4.46Å |
| 261 | L | 91.9 | Very high | 93.5 | Very high | 26 Ų | 26 | 17.1 Ų | 17.1 | 14% | 0.136 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -82.3 | -8.1 | 174.8 | -62.2 | -178.8 | 0 | 0 | 0 | 113.6 | F253 L255 T258 P259 A264 F265 F468 A494 | F253-L261 HydrophobicContact CB-CD1 4.11Å; L255-L261 HydrophobicContact CD2-CB 4.04Å; T258-L261 WeakPolarHBondContact O-CB 3.45Å; T258-L261 PolarHBondContact O-N 3.09Å; T258-L261 VanDerWaalsContact O-N 3.09Å; P259-L261 PolarHBondContact O-N 3.19Å; P259-L261 VanDerWaalsContact O-N 3.09Å; L261-A264 CarbonylContact O-C 3.48Å; L261-A264 WeakPolarHBondContact O-CB 3.4Å; L261-A264 PolarHBondContact O-N 3.39Å; L261-A264 VanDerWaalsContact O-N 3.12Å; L261-F265 PolarHBondContact O-N 3.32Å; L261-F468 HydrophobicContact CB-CE1 4.18Å; L261-F468 HydrophobicContact CB-CZ 4.08Å; L261-F468 HydrophobicContact CD1-CE1 4.43Å; L261-A494 HydrophobicContact CD1-CB 4.25Å |
| 262 | R | 93.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 4% | 0.038 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | -179 | -72.4 | 176.7 | -178.6 | 176.1 | 5.9 | 113.9 | L255 P259 H260 A264 F265 V266 E374 M484 H485 | L255-R262 HydrophobicContact CB-CG 4.24Å; L255-R262 HydrophobicContact CD2-CG 4.25Å; L255-R262 PolarHBondContact O-NE 3.36Å; L255-R262 VanDerWaalsContact O-NE 3.14Å; L255-R262 PolarHBondContact O-NH2 3.34Å; P259-R262 WeakPolarHBondContact O-CB 3.36Å; P259-R262 VanDerWaalsContact O-CG 3.31Å; P259-R262 WeakPolarHBondContact O-CG 3.28Å; P259-R262 PolarHBondContact O-N 2.95Å; H260-R262 VanDerWaalsContact C-N 3.35Å; R262-A264 VanDerWaalsContact C-N 3.26Å; R262-A264 PolarHBondContact O-N 2.86Å; R262-F265 WeakPolarHBondContact O-CB 3.21Å; R262-F265 PolarHBondContact O-N 3.48Å; R262-F265 VanDerWaalsContact O-N 3.16Å; R262-V266 PolarHBondContact O-N 3.46Å; R262-E374 WeakPolarHBondContact CD-O 3.48Å; R262-E374 IonicContact CZ-OE2 3.3Å; R262-E374 PolarHBondContact NH1-O 3.37Å; R262-E374 IonicContact NH1-OE2 3.47Å; R262-E374 PolarHBondContact NH1-OE2 3.03Å; R262-E374 IonicContact NH2-OE2 3.53Å; R262-E374 PolarHBondContact NH2-OE2 3.16Å; R262-M484 HydrophobicContact CB-SD 4.04Å; R262-M484 HydrophobicContact CG-CG 4.44Å; R262-M484 HydrophobicContact CG-SD 4.29Å; R262-H485 PolarHBondContact NH1-ND1 2.86Å |
| 263 | P | 92.6 | Very high | 93 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.9 | -37.3 | 173.5 | -22.7 | 33.4 | 0 | 0 | 0 | 112.6 | H260 V266 L267 M334 F335 Y375 | H260-P263 WeakPolarHBondContact O-CD 3.36Å; P263-V266 PolarHBondContact O-N 3.12Å; P263-L267 PolarHBondContact O-N 3.47Å; P263-M334 HydrophobicContact CB-SD 3.85Å; P263-M334 HydrophobicContact CG-CB 4.38Å; P263-M334 HydrophobicContact CG-SD 3.84Å; P263-F335 HydrophobicContact CB-CE2 4.2Å; P263-F335 HydrophobicContact CB-CZ 3.96Å; P263-F335 HydrophobicContact CG-CE2 4.33Å; P263-F335 HydrophobicContact CG-CZ 3.85Å; P263-Y375 HydrophobicContact CG-CD1 3.6Å; P263-Y375 HydrophobicContact CG-CE1 4.38Å; P263-Y375 HydrophobicContact CG-CG 4.13Å |
| 264 | A | 92.2 | Very high | 92.8 | Very high | 42 Ų | 42 | 18.7 Ų | 18.7 | 35% | 0.347 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -68.2 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L261 R262 L267 D268 F468 | L261-A264 CarbonylContact O-C 3.48Å; L261-A264 WeakPolarHBondContact O-CB 3.4Å; L261-A264 PolarHBondContact O-N 3.39Å; L261-A264 VanDerWaalsContact O-N 3.12Å; R262-A264 VanDerWaalsContact C-N 3.26Å; R262-A264 PolarHBondContact O-N 2.86Å; A264-L267 PolarHBondContact O-N 3.09Å; A264-D268 VanDerWaalsContact O-CB 3.31Å; A264-D268 WeakPolarHBondContact O-CB 3.43Å; A264-D268 PolarHBondContact O-N 3.47Å; A264-F468 HydrophobicContact CB-CE2 4.16Å; A264-F468 HydrophobicContact CB-CZ 4.16Å |
| 265 | F | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 173.5 | 171.6 | -108.2 | 0 | 0 | 0 | 111.7 | L255 L261 R262 L267 D268 R269 F468 Y470 M484 I492 | L255-F265 HydrophobicContact CD1-CB 3.92Å; L255-F265 HydrophobicContact CD1-CD1 3.57Å; L255-F265 HydrophobicContact CD1-CD2 4.17Å; L255-F265 HydrophobicContact CD1-CE1 4.11Å; L255-F265 HydrophobicContact CD1-CG 3.6Å; L255-F265 HydrophobicContact CD2-CB 3.93Å; L255-F265 HydrophobicContact CD2-CG 4.47Å; L261-F265 PolarHBondContact O-N 3.32Å; R262-F265 WeakPolarHBondContact O-CB 3.21Å; R262-F265 PolarHBondContact O-N 3.48Å; R262-F265 VanDerWaalsContact O-N 3.16Å; F265-L267 VanDerWaalsContact C-N 3.32Å; F265-L267 PolarHBondContact O-N 2.85Å; F265-D268 WeakPolarHBondContact O-CB 3.48Å; F265-D268 PolarHBondContact O-N 3.28Å; F265-R269 HydrophobicContact CD1-CG 4.48Å; F265-R269 HydrophobicContact CD2-CG 4.08Å; F265-R269 HydrophobicContact CE1-CG 4.05Å; F265-R269 HydrophobicContact CE2-CG 3.59Å; F265-R269 HydrophobicContact CZ-CG 3.57Å; F265-R269 WeakPolarHBondContact O-CG 3.31Å; F265-R269 PolarHBondContact O-N 3.13Å; F265-F468 HydrophobicContact CB-CD2 4.27Å; F265-F468 HydrophobicContact CB-CE1 4.4Å; F265-F468 HydrophobicContact CB-CE2 4.04Å; F265-F468 HydrophobicContact CB-CZ 4.1Å; F265-F468 HydrophobicContact CD2-CB 4.15Å; F265-F468 HydrophobicContact CD2-CD1 4.43Å; F265-F468 HydrophobicContact CD2-CD2 4.17Å; F265-F468 AromaticContact CD2-CG 3.99Å; F265-F468 HydrophobicContact CD2-CG 3.99Å; F265-Y470 HydrophobicContact CE2-CD2 4.32Å; F265-Y470 HydrophobicContact CZ-CD2 4.27Å; F265-Y470 HydrophobicContact CZ-CE2 4.46Å; F265-M484 HydrophobicContact CD1-CB 4.15Å; F265-M484 HydrophobicContact CE1-CB 4.25Å; F265-I492 HydrophobicContact CD2-CG2 3.66Å; F265-I492 HydrophobicContact CE1-CD1 4.2Å; F265-I492 HydrophobicContact CE2-CD1 4.06Å; F265-I492 HydrophobicContact CE2-CG2 3.56Å; F265-I492 HydrophobicContact CG-CG2 4.47Å; F265-I492 HydrophobicContact CZ-CD1 3.74Å; F265-I492 HydrophobicContact CZ-CG2 4.32Å |
| 266 | V | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | R262 P263 D268 R269 V270 L331 M334 W477 E481 M484 | R262-V266 PolarHBondContact O-N 3.46Å; P263-V266 PolarHBondContact O-N 3.12Å; V266-D268 PolarHBondContact O-N 2.99Å; V266-R269 PolarHBondContact O-N 3.44Å; V266-V270 HydrophobicContact CG1-CG2 4.43Å; V266-V270 VanDerWaalsContact O-CG2 3.25Å; V266-V270 WeakPolarHBondContact O-CG2 3.38Å; V266-V270 PolarHBondContact O-N 3.31Å; V266-L331 HydrophobicContact CB-CD2 3.95Å; V266-L331 HydrophobicContact CG1-CD2 3.81Å; V266-M334 HydrophobicContact CB-CE 4.33Å; V266-M334 HydrophobicContact CG2-CE 3.69Å; V266-W477 HydrophobicContact CG1-CE3 4.09Å; V266-W477 HydrophobicContact CG1-CZ3 4.04Å; V266-E481 HydrophobicContact CG2-CB 4.12Å; V266-E481 HydrophobicContact CG2-CG 3.73Å; V266-M484 HydrophobicContact CG2-CE 4.3Å; V266-M484 HydrophobicContact CG2-SD 3.82Å |
| 267 | L | 93.8 | Very high | 92 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 13% | 0.126 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 173.9 | 178 | 59.6 | 0 | 0 | 0 | 111.5 | P263 A264 F265 R269 V270 L271 L326 L331 L431 | P263-L267 PolarHBondContact O-N 3.47Å; A264-L267 PolarHBondContact O-N 3.09Å; F265-L267 VanDerWaalsContact C-N 3.32Å; F265-L267 PolarHBondContact O-N 2.85Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 3.49Å; L267-V270 WeakPolarHBondContact O-CB 3.2Å; L267-V270 PolarHBondContact O-N 3.32Å; L267-L271 HydrophobicContact CD1-CD1 4.07Å; L267-L271 HydrophobicContact CD1-CD2 4.39Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CG-CD1 4.01Å; L267-L271 HydrophobicContact CG-CG 4.41Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.02Å; L267-L326 HydrophobicContact CD1-CD2 3.37Å; L267-L331 HydrophobicContact CB-CD1 4Å; L267-L331 HydrophobicContact CD1-CD1 4.09Å; L267-L431 HydrophobicContact CD1-CD2 4.08Å; L267-L431 HydrophobicContact CD2-CD2 4.01Å |
| 268 | D | 93.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 179.3 | 176.2 | 73.8 | 0 | 0 | 0 | 112.5 | A264 F265 V266 L271 A272 L466 Y467 F468 | A264-D268 VanDerWaalsContact O-CB 3.31Å; A264-D268 WeakPolarHBondContact O-CB 3.43Å; A264-D268 PolarHBondContact O-N 3.47Å; F265-D268 WeakPolarHBondContact O-CB 3.48Å; F265-D268 PolarHBondContact O-N 3.28Å; V266-D268 PolarHBondContact O-N 2.99Å; D268-L271 PolarHBondContact O-N 2.77Å; D268-A272 VanDerWaalsContact O-CB 3.32Å; D268-A272 WeakPolarHBondContact O-CB 3.46Å; D268-A272 PolarHBondContact O-N 2.79Å; D268-L466 WeakPolarHBondContact OD1-CA 3.4Å; D268-Y467 PolarHBondContact OD1-N 3.09Å; D268-F468 HydrophobicContact CB-CD2 3.76Å; D268-F468 HydrophobicContact CB-CE2 4.18Å |
| 269 | R | 93.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 175.7 | -64.6 | -54.2 | 92.5 | -175.8 | 3.3 | 113.1 | F265 V266 L267 L271 A272 Q273 F468 W477 E480 | F265-R269 HydrophobicContact CD1-CG 4.48Å; F265-R269 HydrophobicContact CD2-CG 4.08Å; F265-R269 HydrophobicContact CE1-CG 4.05Å; F265-R269 HydrophobicContact CE2-CG 3.59Å; F265-R269 HydrophobicContact CZ-CG 3.57Å; F265-R269 WeakPolarHBondContact O-CG 3.31Å; F265-R269 PolarHBondContact O-N 3.13Å; V266-R269 PolarHBondContact O-N 3.44Å; L267-R269 VanDerWaalsContact C-N 3.33Å; L267-R269 PolarHBondContact O-N 3.49Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.24Å; R269-A272 PolarHBondContact O-N 3.34Å; R269-Q273 PolarHBondContact O-N 3.24Å; R269-F468 PolarHBondContact NH2-O 3Å; R269-W477 HydrophobicContact CB-CB 4.08Å; R269-E480 WeakPolarHBondContact CB-OE2 3.3Å; R269-E480 WeakPolarHBondContact CD-OE2 3.35Å; R269-E480 HydrophobicContact CG-CB 4.17Å; R269-E480 WeakPolarHBondContact CG-OE2 3.33Å |
| 270 | V | 94.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 173 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | V266 L267 Q273 F274 I325 A329 W477 | V266-V270 HydrophobicContact CG1-CG2 4.43Å; V266-V270 VanDerWaalsContact O-CG2 3.25Å; V266-V270 WeakPolarHBondContact O-CG2 3.38Å; V266-V270 PolarHBondContact O-N 3.31Å; L267-V270 WeakPolarHBondContact O-CB 3.2Å; L267-V270 PolarHBondContact O-N 3.32Å; V270-Q273 PolarHBondContact O-N 2.87Å; V270-F274 WeakPolarHBondContact O-CB 3.08Å; V270-F274 PolarHBondContact O-N 2.7Å; V270-I325 HydrophobicContact CG1-CG2 3.67Å; V270-A329 HydrophobicContact CG2-CB 3.93Å; V270-W477 HydrophobicContact CG2-CB 4.23Å; V270-W477 HydrophobicContact CG2-CD2 3.55Å; V270-W477 HydrophobicContact CG2-CE3 3.79Å; V270-W477 HydrophobicContact CG2-CG 3.74Å; V270-W477 HydrophobicContact CG2-CZ3 4.38Å |
| 271 | L | 92.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69 | -35.8 | 179.2 | -62.7 | 175.6 | 0 | 0 | 0 | 112.5 | L267 D268 R269 F274 S275 L321 L326 L438 L464 | L267-L271 HydrophobicContact CD1-CD1 4.07Å; L267-L271 HydrophobicContact CD1-CD2 4.39Å; L267-L271 HydrophobicContact CD1-CG 4.07Å; L267-L271 HydrophobicContact CG-CD1 4.01Å; L267-L271 HydrophobicContact CG-CG 4.41Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.02Å; D268-L271 PolarHBondContact O-N 2.77Å; R269-L271 VanDerWaalsContact C-N 3.34Å; R269-L271 PolarHBondContact O-N 3.24Å; L271-F274 PolarHBondContact O-N 3.28Å; L271-S275 WeakPolarHBondContact O-CB 3.37Å; L271-S275 PolarHBondContact O-N 2.91Å; L271-S275 PolarHBondContact O-OG 3.1Å; L271-L321 HydrophobicContact CD2-CD2 3.76Å; L271-L326 HydrophobicContact CD2-CD2 4.38Å; L271-L438 HydrophobicContact CD1-CD1 3.63Å; L271-L438 HydrophobicContact CD1-CD2 4.34Å; L271-L438 HydrophobicContact CD2-CD1 4.11Å; L271-L464 HydrophobicContact CB-CD1 3.91Å; L271-L464 HydrophobicContact CD2-CD1 3.78Å; L271-L464 HydrophobicContact CG-CD1 4.3Å |
| 272 | A | 90.3 | Very high | 89.4 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 5% | 0.05 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D268 R269 S275 R276 L466 | D268-A272 VanDerWaalsContact O-CB 3.32Å; D268-A272 WeakPolarHBondContact O-CB 3.46Å; D268-A272 PolarHBondContact O-N 2.79Å; R269-A272 PolarHBondContact O-N 3.34Å; A272-S275 PolarHBondContact O-N 3.4Å; A272-R276 WeakPolarHBondContact O-CG 3.44Å; A272-R276 PolarHBondContact O-N 3.11Å; A272-R276 VanDerWaalsContact O-N 3.09Å; A272-L466 HydrophobicContact CB-CD2 3.68Å |
| 273 | Q | 92 | Very high | 89 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 173.5 | 177.7 | 167.2 | -18.5 | 0 | 0 | 111.1 | R269 V270 S275 R276 E277 D476 | R269-Q273 PolarHBondContact O-N 3.24Å; V270-Q273 PolarHBondContact O-N 2.87Å; Q273-S275 VanDerWaalsContact C-N 3.31Å; Q273-S275 PolarHBondContact O-N 3.41Å; Q273-R276 WeakPolarHBondContact O-CB 3.26Å; Q273-R276 PolarHBondContact O-N 3.5Å; Q273-R276 VanDerWaalsContact O-N 3.13Å; Q273-E277 HydrophobicContact CG-CG 4.38Å; Q273-E277 PolarHBondContact NE2-OE1 2.77Å; Q273-E277 WeakPolarHBondContact O-CG 3.34Å; Q273-E277 PolarHBondContact O-N 3.39Å; Q273-D476 PolarHBondContact NE2-OD2 2.97Å; Q273-D476 VanDerWaalsContact NE2-OD2 3.12Å; Q273-D476 PolarHBondContact OE1-OD2 2.89Å |
| 274 | F | 91.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 176.8 | 176 | -116.5 | 0 | 0 | 0 | 112.2 | V270 L271 R276 E277 V278 Y283 L288 L317 V320 L321 I325 L464 | V270-F274 WeakPolarHBondContact O-CB 3.08Å; V270-F274 PolarHBondContact O-N 2.7Å; L271-F274 PolarHBondContact O-N 3.28Å; F274-R276 VanDerWaalsContact C-N 3.32Å; F274-R276 PolarHBondContact O-N 3.09Å; F274-E277 PolarHBondContact O-N 3.09Å; F274-V278 HydrophobicContact CD1-CG2 4.48Å; F274-V278 HydrophobicContact CD2-CG2 4.14Å; F274-V278 HydrophobicContact CE1-CG2 4.07Å; F274-V278 HydrophobicContact CE2-CG2 3.67Å; F274-V278 HydrophobicContact CZ-CG2 3.64Å; F274-V278 WeakPolarHBondContact O-CG2 3.2Å; F274-V278 PolarHBondContact O-N 2.87Å; F274-Y283 HydrophobicContact CD2-CD2 4.32Å; F274-Y283 AromaticContact CD2-CE2 3.7Å; F274-Y283 HydrophobicContact CD2-CE2 3.7Å; F274-Y283 HydrophobicContact CE2-CD1 4.47Å; F274-Y283 AromaticContact CE2-CD2 3.86Å; F274-Y283 HydrophobicContact CE2-CD2 3.86Å; F274-Y283 HydrophobicContact CE2-CE1 4.27Å; F274-Y283 AromaticContact CE2-CE2 3.61Å; F274-Y283 HydrophobicContact CE2-CE2 3.61Å; F274-Y283 HydrophobicContact CE2-CG 4.3Å; F274-Y283 AromaticContact CE2-CZ 3.86Å; F274-L288 HydrophobicContact CE2-CD1 4.43Å; F274-L288 HydrophobicContact CZ-CD1 3.85Å; F274-L317 HydrophobicContact CE1-CD1 3.61Å; F274-L317 HydrophobicContact CZ-CD1 3.95Å; F274-V320 HydrophobicContact CE2-CG1 3.72Å; F274-V320 HydrophobicContact CZ-CG1 3.77Å; F274-L321 HydrophobicContact CD1-CD2 3.65Å; F274-L321 HydrophobicContact CE1-CD2 3.6Å; F274-L321 HydrophobicContact CE1-CG 3.99Å; F274-L321 HydrophobicContact CG-CD2 4.49Å; F274-L321 HydrophobicContact CZ-CD2 4.42Å; F274-I325 HydrophobicContact CB-CG2 4.18Å; F274-I325 HydrophobicContact CD2-CD1 3.54Å; F274-I325 HydrophobicContact CD2-CG1 3.6Å; F274-I325 HydrophobicContact CD2-CG2 4.47Å; F274-I325 HydrophobicContact CE2-CD1 3.8Å; F274-I325 HydrophobicContact CE2-CG1 3.7Å; F274-I325 HydrophobicContact CG-CD1 4.4Å; F274-I325 HydrophobicContact CG-CG1 4.13Å; F274-I325 HydrophobicContact CG-CG2 4.31Å; F274-I325 HydrophobicContact CZ-CG1 4.3Å; F274-L464 HydrophobicContact CD1-CD1 3.98Å |
| 275 | S | 88.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | L271 A272 Q273 V278 A279 L464 | L271-S275 WeakPolarHBondContact O-CB 3.37Å; L271-S275 PolarHBondContact O-N 2.91Å; L271-S275 PolarHBondContact O-OG 3.1Å; A272-S275 PolarHBondContact O-N 3.4Å; Q273-S275 VanDerWaalsContact C-N 3.31Å; Q273-S275 PolarHBondContact O-N 3.41Å; S275-V278 PolarHBondContact O-N 2.88Å; S275-A279 PolarHBondContact O-N 2.92Å; S275-A279 VanDerWaalsContact O-N 3.09Å; S275-L464 WeakPolarHBondContact OG-CB 3.44Å; S275-L464 PolarHBondContact OG-N 3.31Å |
| 276 | R | 86.9 | Confident | 86.6 | Confident | 70 Ų | 70 | 32 Ų | 32 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.6 | -67.6 | -172.9 | -65.5 | -92.8 | 10.2 | 112.1 | A272 Q273 F274 A279 S280 T475 | A272-R276 WeakPolarHBondContact O-CG 3.44Å; A272-R276 PolarHBondContact O-N 3.11Å; A272-R276 VanDerWaalsContact O-N 3.09Å; Q273-R276 WeakPolarHBondContact O-CB 3.26Å; Q273-R276 PolarHBondContact O-N 3.5Å; Q273-R276 VanDerWaalsContact O-N 3.13Å; F274-R276 VanDerWaalsContact C-N 3.32Å; F274-R276 PolarHBondContact O-N 3.09Å; R276-A279 PolarHBondContact O-N 3.1Å; R276-S280 PolarHBondContact O-N 3.5Å; R276-T475 PolarHBondContact NH2-O 2.87Å; R276-T475 VanDerWaalsContact NH2-O 3.17Å |
| 277 | E | 87.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 37.4 Ų | 37.4 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 178.2 | -69.8 | -174.9 | 166.6 | 0 | 0 | 113.1 | Q273 F274 S280 G281 K282 Y283 | Q273-E277 HydrophobicContact CG-CG 4.38Å; Q273-E277 PolarHBondContact NE2-OE1 2.77Å; Q273-E277 WeakPolarHBondContact O-CG 3.34Å; Q273-E277 PolarHBondContact O-N 3.39Å; F274-E277 PolarHBondContact O-N 3.09Å; E277-S280 PolarHBondContact O-OG 2.83Å; E277-G281 PolarHBondContact O-N 2.79Å; E277-K282 HydrophobicContact CB-CB 4.2Å; E277-K282 HydrophobicContact CB-CD 3.88Å; E277-K282 HydrophobicContact CG-CD 3.91Å; E277-K282 WeakPolarHBondContact O-CB 3.37Å; E277-K282 PolarHBondContact O-N 3.18Å; E277-K282 IonicContact OE1-NZ 3.65Å; E277-K282 PolarHBondContact OE1-NZ 2.84Å; E277-K282 WeakPolarHBondContact OE2-CD 3.37Å; E277-K282 IonicContact OE2-NZ 2.68Å; E277-K282 PolarHBondContact OE2-NZ 3.11Å; E277-Y283 HydrophobicContact CB-CD2 4.27Å; E277-Y283 HydrophobicContact CB-CE2 3.65Å; E277-Y283 VanDerWaalsContact OE2-CE2 3.31Å; E277-Y283 WeakPolarHBondContact OE2-CE2 3.24Å; E277-Y283 PolarHBondContact OE2-OH 3.31Å |
| 278 | V | 83.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 172.2 | 174.9 | 0 | 0 | 0 | 0 | 110 | F274 S275 S280 G281 Y283 L288 P289 L463 | F274-V278 HydrophobicContact CD1-CG2 4.48Å; F274-V278 HydrophobicContact CD2-CG2 4.14Å; F274-V278 HydrophobicContact CE1-CG2 4.07Å; F274-V278 HydrophobicContact CE2-CG2 3.67Å; F274-V278 HydrophobicContact CZ-CG2 3.64Å; F274-V278 WeakPolarHBondContact O-CG2 3.2Å; F274-V278 PolarHBondContact O-N 2.87Å; S275-V278 PolarHBondContact O-N 2.88Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.09Å; V278-G281 PolarHBondContact O-N 3.31Å; V278-Y283 HydrophobicContact CG2-CD2 3.79Å; V278-Y283 HydrophobicContact CG2-CE2 4.47Å; V278-Y283 HydrophobicContact CG2-CG 4.48Å; V278-L288 HydrophobicContact CG1-CB 4.34Å; V278-L288 HydrophobicContact CG2-CD1 4.09Å; V278-P289 VanDerWaalsContact CG1-O 3.3Å; V278-P289 WeakPolarHBondContact CG1-O 3.45Å; V278-L463 HydrophobicContact CB-CD2 4.07Å; V278-L463 HydrophobicContact CG1-CD2 3.9Å; V278-L463 HydrophobicContact CG2-CD2 4.13Å |
| 279 | A | 78.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S275 R276 G281 G291 | S275-A279 PolarHBondContact O-N 2.92Å; S275-A279 VanDerWaalsContact O-N 3.09Å; R276-A279 PolarHBondContact O-N 3.1Å; A279-G281 PolarHBondContact O-N 2.92Å; A279-G291 CarbonylContact C-O 3.45Å; A279-G291 CarbonylContact O-C 3.55Å |
| 280 | S | 80.8 | Confident | 81.8 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 62% | 0.622 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -6.1 | 177.4 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | R276 E277 V278 | R276-S280 PolarHBondContact O-N 3.5Å; E277-S280 PolarHBondContact O-OG 2.83Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.09Å |
| 281 | G | 78 | Confident | 79.7 | Confident | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 18 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E277 V278 A279 Y283 V284 | E277-G281 PolarHBondContact O-N 2.79Å; V278-G281 PolarHBondContact O-N 3.31Å; A279-G281 PolarHBondContact O-N 2.92Å; G281-Y283 PolarHBondContact O-N 2.88Å; G281-V284 WeakPolarHBondContact O-CG2 3.31Å |
| 282 | K | 84.5 | Confident | 77.7 | Confident | 116 Ų | 116 | 44.7 Ų | 44.7 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.1 | 179 | -167.1 | -177 | 178 | -170.5 | 0 | 113.3 | E277 | E277-K282 HydrophobicContact CB-CB 4.2Å; E277-K282 HydrophobicContact CB-CD 3.88Å; E277-K282 HydrophobicContact CG-CD 3.91Å; E277-K282 WeakPolarHBondContact O-CB 3.37Å; E277-K282 PolarHBondContact O-N 3.18Å; E277-K282 IonicContact OE1-NZ 3.65Å; E277-K282 PolarHBondContact OE1-NZ 2.84Å; E277-K282 WeakPolarHBondContact OE2-CD 3.37Å; E277-K282 IonicContact OE2-NZ 2.68Å; E277-K282 PolarHBondContact OE2-NZ 3.11Å |
| 283 | Y | 84.1 | Confident | 75.5 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 21.6 | -173 | -62 | -84.5 | 0 | 0 | 0 | 114.8 | F274 E277 V278 G281 S285 A286 L288 V320 I325 | F274-Y283 HydrophobicContact CD2-CD2 4.32Å; F274-Y283 AromaticContact CD2-CE2 3.7Å; F274-Y283 HydrophobicContact CD2-CE2 3.7Å; F274-Y283 HydrophobicContact CE2-CD1 4.47Å; F274-Y283 AromaticContact CE2-CD2 3.86Å; F274-Y283 HydrophobicContact CE2-CD2 3.86Å; F274-Y283 HydrophobicContact CE2-CE1 4.27Å; F274-Y283 AromaticContact CE2-CE2 3.61Å; F274-Y283 HydrophobicContact CE2-CE2 3.61Å; F274-Y283 HydrophobicContact CE2-CG 4.3Å; F274-Y283 AromaticContact CE2-CZ 3.86Å; E277-Y283 HydrophobicContact CB-CD2 4.27Å; E277-Y283 HydrophobicContact CB-CE2 3.65Å; E277-Y283 VanDerWaalsContact OE2-CE2 3.31Å; E277-Y283 WeakPolarHBondContact OE2-CE2 3.24Å; E277-Y283 PolarHBondContact OE2-OH 3.31Å; V278-Y283 HydrophobicContact CG2-CD2 3.79Å; V278-Y283 HydrophobicContact CG2-CE2 4.47Å; V278-Y283 HydrophobicContact CG2-CG 4.48Å; G281-Y283 PolarHBondContact O-N 2.88Å; Y283-S285 PolarHBondContact O-N 2.94Å; Y283-A286 PolarHBondContact O-N 3.31Å; Y283-L288 HydrophobicContact CG-CD1 4.37Å; Y283-L288 PolarHBondContact O-N 3.09Å; Y283-V320 HydrophobicContact CD1-CG1 4.19Å; Y283-V320 HydrophobicContact CE1-CG1 4.22Å; Y283-I325 HydrophobicContact CE1-CD1 4.21Å; Y283-I325 VanDerWaalsContact OH-CD1 3.29Å; Y283-I325 WeakPolarHBondContact OH-CD1 3.3Å |
| 284 | V | 76.2 | Confident | 73.3 | Confident | 73 Ų | 73 | 54 Ų | 54 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -55.8 | -40.5 | 177.5 | -160.2 | 0 | 0 | 0 | 0 | 111.5 | G281 A286 Q287 V290 | G281-V284 WeakPolarHBondContact O-CG2 3.31Å; V284-A286 PolarHBondContact O-N 3.32Å; V284-Q287 WeakPolarHBondContact O-CA 3.38Å; V284-Q287 PolarHBondContact O-N 3.1Å; V284-V290 HydrophobicContact CB-CG2 4.02Å; V284-V290 HydrophobicContact CG1-CG2 3.92Å; V284-V290 HydrophobicContact CG2-CG2 3.18Å |
| 285 | S | 77.6 | Confident | 70.9 | Confident | 119 Ų | 119 | 55.3 Ų | 55.3 | 83% | 0.832 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -62 | -26.6 | -180 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | Y283 Q287 | Y283-S285 PolarHBondContact O-N 2.94Å; S285-Q287 PolarHBondContact O-N 3.3Å |
| 286 | A | 76.2 | Confident | 68.9 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -85.4 | 13.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y283 V284 L288 V320 | Y283-A286 PolarHBondContact O-N 3.31Å; V284-A286 PolarHBondContact O-N 3.32Å; A286-L288 PolarHBondContact O-N 3.05Å; A286-V320 HydrophobicContact CB-CG2 3.96Å |
| 287 | Q | 72.8 | Confident | 66.8 | Low | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 19.2 | -174.6 | -50.6 | -174.9 | 11.6 | 0 | 0 | 114.5 | V284 S285 | V284-Q287 WeakPolarHBondContact O-CA 3.38Å; V284-Q287 PolarHBondContact O-N 3.1Å; S285-Q287 PolarHBondContact O-N 3.3Å |
| 288 | L | 74.8 | Confident | 64.9 | Low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | trans | -81.2 | 144.6 | 170.6 | -65.3 | -177.4 | 0 | 0 | 0 | 110.2 | F274 V278 Y283 A286 C316 L317 V320 | F274-L288 HydrophobicContact CE2-CD1 4.43Å; F274-L288 HydrophobicContact CZ-CD1 3.85Å; V278-L288 HydrophobicContact CG1-CB 4.34Å; V278-L288 HydrophobicContact CG2-CD1 4.09Å; Y283-L288 HydrophobicContact CG-CD1 4.37Å; Y283-L288 PolarHBondContact O-N 3.09Å; A286-L288 PolarHBondContact O-N 3.05Å; L288-C316 HydrophobicContact CD2-CB 4.34Å; L288-L317 HydrophobicContact CD1-CD1 4.28Å; L288-L317 HydrophobicContact CD2-CB 3.86Å; L288-L317 HydrophobicContact CD2-CD1 4.2Å; L288-V320 HydrophobicContact CD1-CB 4.31Å; L288-V320 HydrophobicContact CD1-CG1 4.28Å; L288-V320 HydrophobicContact CD1-CG2 4.17Å | ||
| 289 | P | 64.9 | Low | 63.2 | Low | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 42% | 0.421 | C | S | . | . | trans | -71.3 | 151.6 | -175.1 | 18.4 | -17.5 | 0 | 0 | 0 | 112.4 | V278 V300 F302 Y457 | V278-P289 VanDerWaalsContact CG1-O 3.3Å; V278-P289 WeakPolarHBondContact CG1-O 3.45Å; P289-V300 WeakPolarHBondContact CB-O 3.28Å; P289-F302 HydrophobicContact CB-CD2 4.33Å; P289-F302 HydrophobicContact CG-CD2 3.27Å; P289-F302 HydrophobicContact CG-CE2 3.24Å; P289-F302 HydrophobicContact CG-CG 4.03Å; P289-F302 HydrophobicContact CG-CZ 4.02Å; P289-Y457 WeakPolarHBondContact CB-OH 3.43Å; P289-Y457 WeakPolarHBondContact CG-OH 3.42Å | ||
| 290 | V | 60.4 | Low | 61.9 | Low | 29 Ų | 29 | 78.9 Ų | 78.9 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | trans | -108.1 | 136.6 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V284 L298 | V284-V290 HydrophobicContact CB-CG2 4.02Å; V284-V290 HydrophobicContact CG1-CG2 3.92Å; V284-V290 HydrophobicContact CG2-CG2 3.18Å; V290-L298 WeakPolarHBondContact O-CD2 3.41Å | ||
| 291 | G | 52.4 | Low | 60.6 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | trans | -142.3 | 131 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A279 W293 | A279-G291 CarbonylContact C-O 3.45Å; A279-G291 CarbonylContact O-C 3.55Å; G291-W293 PolarHBondContact O-N 3.16Å; G291-W293 VanDerWaalsContact O-N 3.08Å | ||
| 292 | K | 48.6 | Very low | 59.5 | Low | 165 Ų | 165 | 76.8 Ų | 76.8 | 72% | 0.717 | 41% | 0.414 | S | S | * | . | trans | -54.5 | 119 | 173.7 | -85.8 | -175.4 | 173.7 | 178.8 | 0 | 109.4 | G294 G295 | K292-G294 PolarHBondContact O-N 3.14Å; K292-G295 PolarHBondContact O-N 3.12Å; K292-G295 VanDerWaalsContact O-N 3.08Å | ||
| 293 | W | 44.1 | Very low | 57.9 | Low | 154 Ų | 154 | 75.8 Ų | 75.8 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 109.6 | 167.4 | -144.2 | 71.6 | 0 | 0 | 0 | 107.5 | G291 E459 | G291-W293 PolarHBondContact O-N 3.16Å; G291-W293 VanDerWaalsContact O-N 3.08Å; W293-E459 HydrophobicContact CZ2-CG 3.95Å |
| 294 | G | 45.8 | Very low | 56.3 | Low | 74 Ų | 74 | 76.2 Ų | 76.2 | 76% | 0.763 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 13.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | K292 | K292-G294 PolarHBondContact O-N 3.14Š|
| 295 | G | 41.1 | Very low | 55.1 | Low | 32 Ų | 32 | 78.9 Ų | 78.9 | 33% | 0.33 | 44% | 0.435 | S | S | . | . | trans | -131.8 | 136.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K292 N297 | K292-G295 PolarHBondContact O-N 3.12Å; K292-G295 VanDerWaalsContact O-N 3.08Å; G295-N297 VanDerWaalsContact C-N 3.33Å; G295-N297 PolarHBondContact O-N 3.4Å | ||
| 296 | H | 47.5 | Very low | 54 | Low | 182 Ų | 182 | 77.5 Ų | 77.5 | 84% | 0.843 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -76.9 | 0.2 | -175.2 | -70.3 | -61.2 | 0 | 0 | 0 | 116.7 | ||
| 297 | N | 42.9 | Very low | 53 | Low | 150 Ų | 150 | 81.9 Ų | 81.9 | 80% | 0.802 | 44% | 0.437 | S | S | * | . | trans | -119.4 | 120 | -178.9 | -76.2 | -21.1 | 0 | 0 | 0 | 111.4 | G295 | G295-N297 VanDerWaalsContact C-N 3.33Å; G295-N297 PolarHBondContact O-N 3.4Å | ||
| 298 | L | 48.9 | Very low | 52 | Low | 46 Ų | 46 | 86.1 Ų | 86.1 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | trans | -96.3 | 136.9 | 177.2 | -62.8 | 159.1 | 0 | 0 | 0 | 110.7 | V290 P301 T455 Y457 | V290-L298 WeakPolarHBondContact O-CD2 3.41Å; L298-P301 HydrophobicContact CD1-CB 3.95Å; L298-T455 WeakPolarHBondContact CD1-O 3.39Å; L298-Y457 HydrophobicContact CD2-CD2 4.05Å; L298-Y457 HydrophobicContact CD2-CE2 3.76Å | ||
| 299 | E | 47.3 | Very low | 51.2 | Low | 185 Ų | 185 | 88.5 Ų | 88.5 | 86% | 0.864 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -77.3 | -25.7 | 169.1 | -76.3 | -178.7 | 164.6 | 0 | 0 | 112.4 | ||
| 300 | V | 51.3 | Low | 51.1 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 32% | 0.315 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -144.6 | 87.1 | 179.7 | -166.4 | 0 | 0 | 0 | 0 | 112 | P289 R313 | P289-V300 WeakPolarHBondContact CB-O 3.28Å; V300-R313 VanDerWaalsContact CG1-NH2 3.33Å |
| 301 | P | 53.6 | Low | 51.3 | Low | 52 Ų | 52 | 96.8 Ų | 96.8 | 34% | 0.338 | 50% | 0.496 | S | S | . | . | trans | -73.4 | 149.9 | 179.1 | 27.5 | -32.9 | 0 | 0 | 0 | 112.3 | L298 R303 R313 | L298-P301 HydrophobicContact CD1-CB 3.95Å; P301-R303 PolarHBondContact O-N 3.17Å; P301-R313 PolarHBondContact O-NH1 3.18Å | ||
| 302 | F | 53.9 | Low | 52.1 | Low | 10 Ų | 10 | 100 Ų | 100 | 4% | 0.044 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -53.2 | -18.4 | 172 | -115 | -68.7 | 0 | 0 | 0 | 113.4 | P289 P304 R313 V314 V442 V447 Y457 L463 | P289-F302 HydrophobicContact CB-CD2 4.33Å; P289-F302 HydrophobicContact CG-CD2 3.27Å; P289-F302 HydrophobicContact CG-CE2 3.24Å; P289-F302 HydrophobicContact CG-CG 4.03Å; P289-F302 HydrophobicContact CG-CZ 4.02Å; F302-P304 VanDerWaalsContact C-CD 3.45Å; F302-P304 WeakPolarHBondContact O-CD 3.48Å; F302-R313 HydrophobicContact CD1-CB 4.01Å; F302-R313 HydrophobicContact CE1-CB 3.53Å; F302-R313 HydrophobicContact CZ-CB 4.37Å; F302-V314 HydrophobicContact CE1-CG2 3.94Å; F302-V442 HydrophobicContact CE2-CG1 4.32Å; F302-V442 HydrophobicContact CZ-CG1 4.32Å; F302-V447 HydrophobicContact CD1-CG2 4.28Å; F302-Y457 WeakPolarHBondContact CD2-OH 3.49Å; F302-L463 HydrophobicContact CE2-CD1 4.27Å |
| 303 | R | 51.1 | Low | 53.2 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | trans | -97.9 | 90.2 | 172.9 | -78.7 | -178.5 | 166.5 | -145.2 | -17.3 | 112.5 | P301 D449 K453 | P301-R303 PolarHBondContact O-N 3.17Å; R303-D449 IonicContact NH2-OD1 3.57Å; R303-D449 PolarHBondContact NH2-OD1 3.13Å; R303-D449 VanDerWaalsContact NH2-OD1 3.12Å; R303-K453 VanDerWaalsContact NH2-CD 3.27Å | ||
| 304 | P | 50.6 | Low | 54.8 | Low | 34 Ų | 34 | 87.5 Ų | 87.5 | 22% | 0.221 | 47% | 0.465 | C | S | . | . | trans | -74.2 | 159.2 | 146.6 | 31.2 | -28.1 | 0 | 0 | 0 | 109.1 | F302 N306 C309 | F302-P304 VanDerWaalsContact C-CD 3.45Å; F302-P304 WeakPolarHBondContact O-CD 3.48Å; P304-N306 PolarHBondContact O-N 3.3Å; P304-C309 HydrophobicContact CB-CB 4.27Å; P304-C309 HydrophobicContact CG-CB 3.33Å | ||
| 305 | S | 52.3 | Low | 56.6 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 90% | 0.895 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -58.9 | -14.6 | 176.6 | 41.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 306 | N | 53.3 | Low | 58.7 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | trans | -104.4 | 125.5 | -176.1 | -164.9 | -24.2 | 0 | 0 | 0 | 113.3 | P304 R308 C309 | P304-N306 PolarHBondContact O-N 3.3Å; N306-R308 VanDerWaalsContact C-N 3.28Å; N306-R308 PolarHBondContact O-N 2.92Å; N306-R308 PolarHBondContact OD1-N 3.24Å; N306-R308 VanDerWaalsContact OD1-N 3.12Å; N306-C309 PolarHBondContact O-N 3.32Å | ||
| 307 | I | 55.5 | Low | 60.6 | Low | 119 Ų | 119 | 79.6 Ų | 79.6 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57 | -35.7 | 177.5 | -74.9 | 167.7 | 0 | 0 | 0 | 112.6 | C309 R310 K311 | I307-C309 PolarHBondContact O-N 3.25Å; I307-R310 WeakPolarHBondContact O-CB 3.48Å; I307-R310 PolarHBondContact O-N 3.46Å; I307-K311 PolarHBondContact O-N 2.88Å |
| 308 | R | 52.2 | Low | 63 | Low | 205 Ų | 205 | 76 Ų | 76 | 77% | 0.774 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.6 | -43.9 | -179.6 | -109.3 | -178.3 | 177.9 | -179.6 | 0.5 | 111.9 | N306 R310 K311 V312 | N306-R308 VanDerWaalsContact C-N 3.28Å; N306-R308 PolarHBondContact O-N 2.92Å; N306-R308 PolarHBondContact OD1-N 3.24Å; N306-R308 VanDerWaalsContact OD1-N 3.12Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 3.42Å; R308-K311 PolarHBondContact O-N 3.3Å; R308-V312 WeakPolarHBondContact O-CG2 3.37Å; R308-V312 PolarHBondContact O-N 3.34Å |
| 309 | C | 57.5 | Low | 64.9 | Low | 54 Ų | 54 | 79.1 Ų | 79.1 | 37% | 0.365 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.8 | -26 | 179.7 | -67.6 | 0 | 0 | 0 | 0 | 113 | P304 N306 I307 R313 | P304-C309 HydrophobicContact CB-CB 4.27Å; P304-C309 HydrophobicContact CG-CB 3.33Å; N306-C309 PolarHBondContact O-N 3.32Å; I307-C309 PolarHBondContact O-N 3.25Å; C309-R313 WeakPolarHBondContact O-CG 3.45Å; C309-R313 PolarHBondContact O-N 3.31Å |
| 310 | R | 62 | Low | 67.1 | Low | 46 Ų | 46 | 70.4 Ų | 70.4 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 175.7 | -61.8 | -179.6 | -173.4 | 178.5 | 3.4 | 111.4 | I307 R308 V312 V314 V447 | I307-R310 WeakPolarHBondContact O-CB 3.48Å; I307-R310 PolarHBondContact O-N 3.46Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 3.42Å; R310-V312 PolarHBondContact O-N 3.12Å; R310-V314 WeakPolarHBondContact O-CG2 3.22Å; R310-V314 PolarHBondContact O-N 3.04Å; R310-V447 HydrophobicContact CB-CG1 3.97Å; R310-V447 HydrophobicContact CG-CG1 4.42Å |
| 311 | K | 64.6 | Low | 69 | Low | 158 Ų | 158 | 68 Ų | 68 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | 177.6 | -74.4 | -171.2 | 176.6 | -176 | 0 | 112 | I307 R308 V314 Q315 | I307-K311 PolarHBondContact O-N 2.88Å; R308-K311 PolarHBondContact O-N 3.3Å; K311-V314 PolarHBondContact O-N 3.5Å; K311-Q315 WeakPolarHBondContact O-CG 3.09Å; K311-Q315 PolarHBondContact O-N 2.96Å; K311-Q315 VanDerWaalsContact O-N 3.12Å |
| 312 | V | 69.1 | Low | 70.9 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | R308 R310 V314 Q315 C316 | R308-V312 WeakPolarHBondContact O-CG2 3.37Å; R308-V312 PolarHBondContact O-N 3.34Å; R310-V312 PolarHBondContact O-N 3.12Å; V312-V314 PolarHBondContact O-N 2.95Å; V312-Q315 CarbonylContact O-C 3.16Å; V312-Q315 WeakPolarHBondContact O-CA 3.27Å; V312-Q315 WeakPolarHBondContact O-CB 3.49Å; V312-Q315 PolarHBondContact O-N 3.1Å; V312-C316 PolarHBondContact O-N 3.03Å; V312-C316 PolarHBondContact O-SG 3.11Å |
| 313 | R | 72 | Confident | 72.7 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -35.4 | -177.3 | -69.6 | -179 | -179.7 | 172.7 | -2.1 | 113.7 | V300 P301 F302 C309 Q315 C316 L317 | V300-R313 VanDerWaalsContact CG1-NH2 3.33Å; P301-R313 PolarHBondContact O-NH1 3.18Å; F302-R313 HydrophobicContact CD1-CB 4.01Å; F302-R313 HydrophobicContact CE1-CB 3.53Å; F302-R313 HydrophobicContact CZ-CB 4.37Å; C309-R313 WeakPolarHBondContact O-CG 3.45Å; C309-R313 PolarHBondContact O-N 3.31Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; R313-C316 PolarHBondContact O-N 2.9Å; R313-L317 PolarHBondContact O-N 3.46Å |
| 314 | V | 78.3 | Confident | 74.7 | Confident | 14 Ų | 14 | 72 Ų | 72 | 9% | 0.085 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | F302 R310 K311 V312 L317 R318 I439 V447 | F302-V314 HydrophobicContact CE1-CG2 3.94Å; R310-V314 WeakPolarHBondContact O-CG2 3.22Å; R310-V314 PolarHBondContact O-N 3.04Å; K311-V314 PolarHBondContact O-N 3.5Å; V312-V314 PolarHBondContact O-N 2.95Å; V314-L317 WeakPolarHBondContact O-CB 3.5Å; V314-L317 PolarHBondContact O-N 3.03Å; V314-R318 PolarHBondContact O-N 3.39Å; V314-I439 HydrophobicContact CG1-CD1 4.19Å; V314-I439 HydrophobicContact CG1-CG2 3.42Å; V314-I439 VanDerWaalsContact CG1-CG2 3.42Å; V314-I439 WeakPolarHBondContact O-CD1 3.46Å; V314-V447 HydrophobicContact CG2-CG2 4.05Å |
| 315 | Q | 82.7 | Confident | 76.7 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 173.1 | -66.4 | -58.7 | -18.7 | 0 | 0 | 113 | K311 V312 R313 L317 R318 H319 | K311-Q315 WeakPolarHBondContact O-CG 3.09Å; K311-Q315 PolarHBondContact O-N 2.96Å; K311-Q315 VanDerWaalsContact O-N 3.12Å; V312-Q315 CarbonylContact O-C 3.16Å; V312-Q315 WeakPolarHBondContact O-CA 3.27Å; V312-Q315 WeakPolarHBondContact O-CB 3.49Å; V312-Q315 PolarHBondContact O-N 3.1Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.32Å; Q315-R318 VanDerWaalsContact NE2-NH1 3.11Å; Q315-R318 WeakPolarHBondContact O-CB 3.29Å; Q315-R318 PolarHBondContact O-N 3.36Å; Q315-H319 PolarHBondContact O-N 3.13Å |
| 316 | C | 85.8 | Confident | 78.7 | Confident | 28 Ų | 28 | 65 Ų | 65 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 172.1 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | L288 V312 R313 R318 H319 V320 | L288-C316 HydrophobicContact CD2-CB 4.34Å; V312-C316 PolarHBondContact O-N 3.03Å; V312-C316 PolarHBondContact O-SG 3.11Å; R313-C316 PolarHBondContact O-N 2.9Å; C316-R318 VanDerWaalsContact C-N 3.34Å; C316-R318 PolarHBondContact O-N 3.15Å; C316-H319 PolarHBondContact O-N 2.89Å; C316-V320 WeakPolarHBondContact O-CG2 3.37Å; C316-V320 PolarHBondContact O-N 3.01Å |
| 317 | L | 88.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 175 | -179.8 | 62.7 | 0 | 0 | 0 | 111.6 | F274 L288 R313 V314 Q315 H319 L321 I439 V442 L463 | F274-L317 HydrophobicContact CE1-CD1 3.61Å; F274-L317 HydrophobicContact CZ-CD1 3.95Å; L288-L317 HydrophobicContact CD1-CD1 4.28Å; L288-L317 HydrophobicContact CD2-CB 3.86Å; L288-L317 HydrophobicContact CD2-CD1 4.2Å; R313-L317 PolarHBondContact O-N 3.46Å; V314-L317 WeakPolarHBondContact O-CB 3.5Å; V314-L317 PolarHBondContact O-N 3.03Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.32Å; L317-H319 VanDerWaalsContact C-N 3.35Å; L317-H319 PolarHBondContact O-N 3.49Å; L317-L321 HydrophobicContact CD1-CD1 4.27Å; L317-L321 HydrophobicContact CD1-CG 4.44Å; L317-L321 HydrophobicContact CG-CD1 4.15Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 WeakPolarHBondContact O-CG 3.29Å; L317-L321 PolarHBondContact O-N 2.9Å; L317-I439 HydrophobicContact CB-CD1 4.08Å; L317-I439 HydrophobicContact CD2-CD1 3.87Å; L317-I439 HydrophobicContact CG-CD1 3.9Å; L317-V442 HydrophobicContact CD2-CB 4.27Å; L317-V442 HydrophobicContact CD2-CG1 4.06Å; L317-V442 HydrophobicContact CD2-CG2 3.95Å; L317-L463 HydrophobicContact CD1-CD2 4.24Å |
| 318 | R | 91.9 | Very high | 82.4 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.4 | 176.6 | 179.5 | -74.1 | 163.9 | -14.6 | 111.5 | V314 Q315 C316 L321 L322 V435 I439 | V314-R318 PolarHBondContact O-N 3.39Å; Q315-R318 VanDerWaalsContact NE2-NH1 3.11Å; Q315-R318 WeakPolarHBondContact O-CB 3.29Å; Q315-R318 PolarHBondContact O-N 3.36Å; C316-R318 VanDerWaalsContact C-N 3.34Å; C316-R318 PolarHBondContact O-N 3.15Å; R318-L321 PolarHBondContact O-N 3.42Å; R318-L322 HydrophobicContact CG-CD1 3.86Å; R318-L322 WeakPolarHBondContact O-CG 3.48Å; R318-L322 PolarHBondContact O-N 3.44Å; R318-V435 HydrophobicContact CB-CG1 4.4Å; R318-V435 HydrophobicContact CG-CG1 3.9Å; R318-I439 HydrophobicContact CB-CD1 3.97Å; R318-I439 HydrophobicContact CB-CG1 4.06Å |
| 319 | H | 90.5 | Very high | 84.3 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | -178.3 | -177.3 | 74.1 | 0 | 0 | 0 | 111.9 | Q315 C316 L317 L321 L322 E323 | Q315-H319 PolarHBondContact O-N 3.13Å; C316-H319 PolarHBondContact O-N 2.89Å; L317-H319 VanDerWaalsContact C-N 3.35Å; L317-H319 PolarHBondContact O-N 3.49Å; H319-L321 VanDerWaalsContact C-N 3.33Å; H319-L321 PolarHBondContact O-N 2.87Å; H319-L322 PolarHBondContact O-N 2.93Å; H319-E323 WeakPolarHBondContact O-CB 3.36Å; H319-E323 WeakPolarHBondContact O-CG 3.34Å; H319-E323 PolarHBondContact O-N 3.34Å |
| 320 | V | 91.9 | Very high | 86.1 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | F274 Y283 A286 L288 C316 Q324 I325 | F274-V320 HydrophobicContact CE2-CG1 3.72Å; F274-V320 HydrophobicContact CZ-CG1 3.77Å; Y283-V320 HydrophobicContact CD1-CG1 4.19Å; Y283-V320 HydrophobicContact CE1-CG1 4.22Å; A286-V320 HydrophobicContact CB-CG2 3.96Å; L288-V320 HydrophobicContact CD1-CB 4.31Å; L288-V320 HydrophobicContact CD1-CG1 4.28Å; L288-V320 HydrophobicContact CD1-CG2 4.17Å; C316-V320 WeakPolarHBondContact O-CG2 3.37Å; C316-V320 PolarHBondContact O-N 3.01Å; V320-Q324 HydrophobicContact CG1-CB 4.49Å; V320-Q324 WeakPolarHBondContact O-CA 3.37Å; V320-Q324 WeakPolarHBondContact O-CB 3.49Å; V320-Q324 PolarHBondContact O-N 2.93Å; V320-I325 HydrophobicContact CG1-CD1 4.34Å; V320-I325 HydrophobicContact CG1-CG1 3.95Å; V320-I325 PolarHBondContact O-N 3.31Å; V320-I325 VanDerWaalsContact O-N 3.09Å |
| 321 | L | 92.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -59.5 | -51.5 | 177.6 | -77.8 | 170.2 | 0 | 0 | 0 | 112.1 | L271 F274 L317 R318 H319 I325 L326 V435 L464 | L271-L321 HydrophobicContact CD2-CD2 3.76Å; F274-L321 HydrophobicContact CD1-CD2 3.65Å; F274-L321 HydrophobicContact CE1-CD2 3.6Å; F274-L321 HydrophobicContact CE1-CG 3.99Å; F274-L321 HydrophobicContact CG-CD2 4.49Å; F274-L321 HydrophobicContact CZ-CD2 4.42Å; L317-L321 HydrophobicContact CD1-CD1 4.27Å; L317-L321 HydrophobicContact CD1-CG 4.44Å; L317-L321 HydrophobicContact CG-CD1 4.15Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 WeakPolarHBondContact O-CG 3.29Å; L317-L321 PolarHBondContact O-N 2.9Å; R318-L321 PolarHBondContact O-N 3.42Å; H319-L321 VanDerWaalsContact C-N 3.33Å; H319-L321 PolarHBondContact O-N 2.87Å; L321-I325 PolarHBondContact O-N 3.25Å; L321-L326 WeakPolarHBondContact O-CB 3.32Å; L321-L326 VanDerWaalsContact O-CG 3.26Å; L321-L326 WeakPolarHBondContact O-CG 3.47Å; L321-L326 PolarHBondContact O-N 2.89Å; L321-V435 HydrophobicContact CB-CG2 4.27Å; L321-V435 HydrophobicContact CD1-CG1 4.36Å; L321-L464 HydrophobicContact CD2-CD1 4.3Å |
| 322 | L | 93.2 | Very high | 89 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -73.4 | -39.2 | -174.5 | -70.3 | 171.5 | 0 | 0 | 0 | 113.5 | R318 H319 L326 P327 W428 H432 V435 | R318-L322 HydrophobicContact CG-CD1 3.86Å; R318-L322 WeakPolarHBondContact O-CG 3.48Å; R318-L322 PolarHBondContact O-N 3.44Å; H319-L322 PolarHBondContact O-N 2.93Å; L322-L326 HydrophobicContact CD2-CD1 4.26Å; L322-P327 VanDerWaalsContact O-CD 3.23Å; L322-P327 WeakPolarHBondContact O-CD 3.17Å; L322-P327 WeakPolarHBondContact O-CG 3.49Å; L322-W428 HydrophobicContact CD2-CZ3 4.33Å; L322-H432 WeakPolarHBondContact CD2-ND1 3.44Å; L322-V435 HydrophobicContact CD1-CG1 4.4Å; L322-V435 HydrophobicContact CD2-CB 4.23Å; L322-V435 HydrophobicContact CD2-CG1 4.48Å; L322-V435 HydrophobicContact CD2-CG2 3.77Å; L322-V435 HydrophobicContact CG-CG1 4.22Å; L322-V435 HydrophobicContact CG-CG2 4.21Å |
| 323 | E | 92 | Very high | 90.3 | Very high | 127 Ų | 127 | 46 Ų | 46 | 59% | 0.593 | 22% | 0.218 | S | C | * | . | I | π-helix | trans | -95.4 | -27.3 | -171.4 | -61.1 | -63.9 | 153 | 0 | 0 | 113.6 | H319 | H319-E323 WeakPolarHBondContact O-CB 3.36Å; H319-E323 WeakPolarHBondContact O-CG 3.34Å; H319-E323 PolarHBondContact O-N 3.34Å |
| 324 | Q | 92 | Very high | 91.3 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -115.9 | -41.9 | -172.6 | -59 | -175.6 | 16.6 | 0 | 0 | 113.2 | V320 Q328 | V320-Q324 HydrophobicContact CG1-CB 4.49Å; V320-Q324 WeakPolarHBondContact O-CA 3.37Å; V320-Q324 WeakPolarHBondContact O-CB 3.49Å; V320-Q324 PolarHBondContact O-N 2.93Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-NE2 3.12Å |
| 325 | I | 93.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -90.1 | -59.3 | -169.9 | -53.8 | -57.3 | 0 | 0 | 0 | 111.9 | V270 F274 Y283 V320 L321 P327 Q328 | V270-I325 HydrophobicContact CG1-CG2 3.67Å; F274-I325 HydrophobicContact CB-CG2 4.18Å; F274-I325 HydrophobicContact CD2-CD1 3.54Å; F274-I325 HydrophobicContact CD2-CG1 3.6Å; F274-I325 HydrophobicContact CD2-CG2 4.47Å; F274-I325 HydrophobicContact CE2-CD1 3.8Å; F274-I325 HydrophobicContact CE2-CG1 3.7Å; F274-I325 HydrophobicContact CG-CD1 4.4Å; F274-I325 HydrophobicContact CG-CG1 4.13Å; F274-I325 HydrophobicContact CG-CG2 4.31Å; F274-I325 HydrophobicContact CZ-CG1 4.3Å; Y283-I325 HydrophobicContact CE1-CD1 4.21Å; Y283-I325 VanDerWaalsContact OH-CD1 3.29Å; Y283-I325 WeakPolarHBondContact OH-CD1 3.3Å; V320-I325 HydrophobicContact CG1-CD1 4.34Å; V320-I325 HydrophobicContact CG1-CG1 3.95Å; V320-I325 PolarHBondContact O-N 3.31Å; V320-I325 VanDerWaalsContact O-N 3.09Å; L321-I325 PolarHBondContact O-N 3.25Å; I325-P327 VanDerWaalsContact C-CD 3.48Å; I325-Q328 WeakPolarHBondContact O-CB 3.2Å; I325-Q328 PolarHBondContact O-N 3.47Å |
| 326 | L | 93.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | -174.9 | -65.2 | 175.5 | 0 | 0 | 0 | 114.1 | L267 L271 L321 L322 Q328 A329 W428 L431 V435 | L267-L326 HydrophobicContact CD1-CD2 3.37Å; L271-L326 HydrophobicContact CD2-CD2 4.38Å; L321-L326 WeakPolarHBondContact O-CB 3.32Å; L321-L326 VanDerWaalsContact O-CG 3.26Å; L321-L326 WeakPolarHBondContact O-CG 3.47Å; L321-L326 PolarHBondContact O-N 2.89Å; L322-L326 HydrophobicContact CD2-CD1 4.26Å; L326-Q328 PolarHBondContact O-N 3.22Å; L326-Q328 VanDerWaalsContact O-N 3.17Å; L326-A329 WeakPolarHBondContact O-CB 3.48Å; L326-A329 PolarHBondContact O-N 2.97Å; L326-A329 VanDerWaalsContact O-N 3.1Å; L326-W428 HydrophobicContact CB-CH2 4.22Å; L326-W428 HydrophobicContact CB-CZ3 4.44Å; L326-L431 HydrophobicContact CD1-CB 4.41Å; L326-L431 HydrophobicContact CD1-CD2 4.49Å; L326-L431 HydrophobicContact CD2-CD2 4.48Å; L326-V435 HydrophobicContact CD1-CG2 3.52Å |
| 327 | P | 94.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -30.1 | 176.2 | -25.4 | 33.7 | 0 | 0 | 0 | 113.9 | L322 I325 A329 K330 W428 | L322-P327 VanDerWaalsContact O-CD 3.23Å; L322-P327 WeakPolarHBondContact O-CD 3.17Å; L322-P327 WeakPolarHBondContact O-CG 3.49Å; I325-P327 VanDerWaalsContact C-CD 3.48Å; P327-A329 VanDerWaalsContact C-N 3.26Å; P327-A329 PolarHBondContact O-N 3.22Å; P327-K330 PolarHBondContact O-N 3.47Å; P327-W428 HydrophobicContact CB-CH2 4.46Å; P327-W428 HydrophobicContact CB-CZ2 4.43Å; P327-W428 HydrophobicContact CG-CH2 3.78Å; P327-W428 HydrophobicContact CG-CZ2 4.18Å |
| 328 | Q | 92.1 | Very high | 93.6 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 49% | 0.486 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.1 | -24.7 | -179.8 | -63.7 | -178.6 | 47.8 | 0 | 0 | 113.2 | Q324 I325 L326 K330 | Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-NE2 3.12Å; I325-Q328 WeakPolarHBondContact O-CB 3.2Å; I325-Q328 PolarHBondContact O-N 3.47Å; L326-Q328 PolarHBondContact O-N 3.22Å; L326-Q328 VanDerWaalsContact O-N 3.17Å; Q328-K330 VanDerWaalsContact C-N 3.34Å |
| 329 | A | 92.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.4 | -22.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | V270 L326 P327 L331 R377 W477 | V270-A329 HydrophobicContact CG2-CB 3.93Å; L326-A329 WeakPolarHBondContact O-CB 3.48Å; L326-A329 PolarHBondContact O-N 2.97Å; L326-A329 VanDerWaalsContact O-N 3.1Å; P327-A329 VanDerWaalsContact C-N 3.26Å; P327-A329 PolarHBondContact O-N 3.22Å; A329-L331 HydrophobicContact CB-CD1 4.49Å; A329-L331 HydrophobicContact CB-CG 4.03Å; A329-L331 PolarHBondContact O-N 3.13Å; A329-R377 PolarHBondContact O-NH1 3.32Å; A329-R377 PolarHBondContact O-NH2 2.86Å; A329-W477 HydrophobicContact CB-CH2 4.37Å |
| 330 | K | 94.3 | Very high | 94 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 46% | 0.457 | 20% | 0.199 | S | C | . | . | trans | 45.6 | 44.6 | -178 | -55.4 | -171.8 | -176.4 | -179.5 | 0 | 113.4 | P327 Q328 Q332 E333 R377 | P327-K330 PolarHBondContact O-N 3.47Å; Q328-K330 VanDerWaalsContact C-N 3.34Å; K330-Q332 PolarHBondContact O-N 3.42Å; K330-Q332 VanDerWaalsContact O-N 3.12Å; K330-E333 HydrophobicContact CB-CG 4.03Å; K330-E333 WeakPolarHBondContact CD-OE1 3.46Å; K330-E333 IonicContact NZ-OE1 3.49Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 3.36Å; K330-R377 PolarHBondContact O-NH1 3.32Å | ||
| 331 | L | 93.5 | Very high | 94 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -58.6 | -27.4 | -174.1 | -72.6 | 168.5 | 0 | 0 | 0 | 113 | V266 L267 A329 E333 M334 F335 L431 | V266-L331 HydrophobicContact CB-CD2 3.95Å; V266-L331 HydrophobicContact CG1-CD2 3.81Å; L267-L331 HydrophobicContact CB-CD1 4Å; L267-L331 HydrophobicContact CD1-CD1 4.09Å; A329-L331 HydrophobicContact CB-CD1 4.49Å; A329-L331 HydrophobicContact CB-CG 4.03Å; A329-L331 PolarHBondContact O-N 3.13Å; L331-E333 PolarHBondContact O-N 3.37Å; L331-E333 VanDerWaalsContact O-N 3.16Å; L331-M334 HydrophobicContact CD2-SD 4.31Å; L331-M334 WeakPolarHBondContact O-CB 3.48Å; L331-M334 PolarHBondContact O-N 2.83Å; L331-F335 WeakPolarHBondContact O-CD2 3.47Å; L331-L431 HydrophobicContact CD1-CD1 4.46Å; L331-L431 HydrophobicContact CD1-CD2 3.89Å |
| 332 | Q | 94.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -56.7 | -28.6 | 174.7 | 68.3 | -82 | 13.8 | 0 | 0 | 113.2 | K330 M334 F335 Q336 A424 C427 | K330-Q332 PolarHBondContact O-N 3.42Å; K330-Q332 VanDerWaalsContact O-N 3.12Å; Q332-M334 PolarHBondContact O-N 3.39Å; Q332-M334 VanDerWaalsContact O-N 3.15Å; Q332-F335 PolarHBondContact O-N 3.43Å; Q332-Q336 VanDerWaalsContact O-CG 3.22Å; Q332-Q336 WeakPolarHBondContact O-CG 3.43Å; Q332-Q336 PolarHBondContact O-N 3.16Å; Q332-A424 HydrophobicContact CB-CB 3.93Å; Q332-A424 HydrophobicContact CG-CB 4.07Å; Q332-C427 HydrophobicContact CB-CB 4.18Å |
| 333 | E | 95.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -60.3 | -27.4 | 178.4 | -68.7 | 174.4 | 166.6 | 0 | 0 | 111.6 | K330 L331 F335 Q336 R377 L378 | K330-E333 HydrophobicContact CB-CG 4.03Å; K330-E333 WeakPolarHBondContact CD-OE1 3.46Å; K330-E333 IonicContact NZ-OE1 3.49Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 3.36Å; L331-E333 PolarHBondContact O-N 3.37Å; L331-E333 VanDerWaalsContact O-N 3.16Å; E333-F335 PolarHBondContact O-N 3.11Å; E333-Q336 PolarHBondContact O-N 3.45Å; E333-R377 HydrophobicContact CB-CB 4.13Å; E333-R377 HydrophobicContact CB-CG 4.16Å; E333-R377 CarbonylContact O-C 2.99Å; E333-R377 WeakPolarHBondContact O-CA 3.22Å; E333-R377 IonicContact OE2-CZ 3.69Å; E333-R377 IonicContact OE2-NH1 2.9Å; E333-R377 PolarHBondContact OE2-NH1 2.57Å; E333-L378 HydrophobicContact CB-CD2 4.14Å; E333-L378 HydrophobicContact CB-CG 4.26Å; E333-L378 HydrophobicContact CG-CD2 4.21Å; E333-L378 HydrophobicContact CG-CG 4.46Å; E333-L378 PolarHBondContact O-N 3.28Å |
| 334 | M | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -72.4 | -14.3 | 176.7 | -62 | -177.9 | 166.9 | 0 | 0 | 113.6 | P263 V266 L331 Q332 Q371 R377 E481 M484 | P263-M334 HydrophobicContact CB-SD 3.85Å; P263-M334 HydrophobicContact CG-CB 4.38Å; P263-M334 HydrophobicContact CG-SD 3.84Å; V266-M334 HydrophobicContact CB-CE 4.33Å; V266-M334 HydrophobicContact CG2-CE 3.69Å; L331-M334 HydrophobicContact CD2-SD 4.31Å; L331-M334 WeakPolarHBondContact O-CB 3.48Å; L331-M334 PolarHBondContact O-N 2.83Å; Q332-M334 PolarHBondContact O-N 3.39Å; Q332-M334 VanDerWaalsContact O-N 3.15Å; M334-Q371 PolarHBondContact O-NE2 2.94Å; M334-R377 HydrophobicContact CE-CG 4.37Å; M334-R377 HydrophobicContact CG-CG 3.98Å; M334-E481 WeakPolarHBondContact CE-OE1 3.26Å; M334-M484 HydrophobicContact CE-CE 3.8Å |
| 335 | F | 94.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -110.9 | -1 | 178.7 | -55.2 | -85.8 | 0 | 0 | 0 | 112.5 | P263 L331 Q332 E333 Q371 Y375 A423 C427 | P263-F335 HydrophobicContact CB-CE2 4.2Å; P263-F335 HydrophobicContact CB-CZ 3.96Å; P263-F335 HydrophobicContact CG-CE2 4.33Å; P263-F335 HydrophobicContact CG-CZ 3.85Å; L331-F335 WeakPolarHBondContact O-CD2 3.47Å; Q332-F335 PolarHBondContact O-N 3.43Å; E333-F335 PolarHBondContact O-N 3.11Å; F335-Q371 VanDerWaalsContact CD1-OE1 3.25Å; F335-Y375 HydrophobicContact CE1-CD1 4.25Å; F335-Y375 AromaticContact CE1-CE1 3.99Å; F335-Y375 HydrophobicContact CE1-CE1 3.99Å; F335-A423 HydrophobicContact CB-CB 4.36Å; F335-C427 HydrophobicContact CD2-CB 4.4Å |
| 336 | Q | 96.8 | Very high | 94 | Very high | 26 Ų | 26 | 39 Ų | 39 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -104 | 156.5 | -173.4 | -77.8 | 177.6 | -33.3 | 0 | 0 | 112 | Q332 E333 L378 S380 N420 A423 | Q332-Q336 VanDerWaalsContact O-CG 3.22Å; Q332-Q336 WeakPolarHBondContact O-CG 3.43Å; Q332-Q336 PolarHBondContact O-N 3.16Å; E333-Q336 PolarHBondContact O-N 3.45Å; Q336-L378 HydrophobicContact CB-CD2 3.85Å; Q336-L378 CarbonylContact O-C 3.54Å; Q336-L378 WeakPolarHBondContact O-CA 3.48Å; Q336-S380 WeakPolarHBondContact O-CB 3.35Å; Q336-S380 PolarHBondContact O-N 2.86Å; Q336-N420 VanDerWaalsContact CA-OD1 3.29Å; Q336-N420 WeakPolarHBondContact CA-OD1 3.29Å; Q336-N420 VanDerWaalsContact CB-OD1 3.26Å; Q336-N420 WeakPolarHBondContact CB-OD1 3.26Å; Q336-N420 HydrophobicContact CG-CB 3.96Å; Q336-N420 WeakPolarHBondContact CG-OD1 3.23Å; Q336-N420 PolarHBondContact NE2-O 2.78Å; Q336-A423 HydrophobicContact CG-CB 4.36Å |
| 337 | V | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -86.6 | 148.2 | 170.2 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | V339 V342 I369 S380 V382 L416 N420 | V337-V339 HydrophobicContact CG2-CG2 4.49Å; V337-V339 PolarHBondContact O-N 3.04Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V337-V342 HydrophobicContact CB-CG2 4.34Å; V337-I369 HydrophobicContact CG1-CD1 4.49Å; V337-I369 HydrophobicContact CG1-CG1 4.24Å; V337-I369 HydrophobicContact CG1-CG2 4.23Å; V337-S380 WeakPolarHBondContact CA-O 3.45Å; V337-S380 WeakPolarHBondContact CG1-O 3.32Å; V337-V382 HydrophobicContact CG1-CG1 4.15Å; V337-L416 HydrophobicContact CG2-CB 4.28Å; V337-L416 HydrophobicContact CG2-CD2 4.22Å; V337-N420 VanDerWaalsContact CG2-OD1 3.26Å; V337-N420 WeakPolarHBondContact CG2-OD1 3.34Å; V337-N420 PolarHBondContact N-OD1 2.91Å; V337-N420 PolarHBondContact O-ND2 2.71Å |
| 338 | D | 96.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | trans | -72.4 | 100.2 | 163.4 | -175.7 | -25.6 | 0 | 0 | 0 | 108.9 | D340 A341 V342 L378 | D338-D340 VanDerWaalsContact C-N 3.26Å; D338-D340 PolarHBondContact O-N 3.49Å; D338-D340 PolarHBondContact OD1-N 3.05Å; D338-D340 VanDerWaalsContact OD1-N 3.09Å; D338-A341 HydrophobicContact CB-CB 3.85Å; D338-A341 VanDerWaalsContact CG-CB 3.42Å; D338-A341 PolarHBondContact O-N 3.14Å; D338-A341 PolarHBondContact OD1-N 2.92Å; D338-V342 WeakPolarHBondContact O-CB 3.49Å; D338-V342 VanDerWaalsContact O-CG2 3.29Å; D338-V342 WeakPolarHBondContact O-CG2 3.48Å; D338-V342 PolarHBondContact O-N 3.3Å; D338-L378 HydrophobicContact CB-CB 4.07Å; D338-L378 WeakPolarHBondContact CB-O 3.26Å; D338-L378 PolarHBondContact N-O 3.2Å | ||
| 339 | V | 95.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 40 Ų | 40 | 13% | 0.127 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -41.7 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | V337 T343 R413 L416 I417 N420 | V337-V339 HydrophobicContact CG2-CG2 4.49Å; V337-V339 PolarHBondContact O-N 3.04Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V339-T343 WeakPolarHBondContact O-CB 3.49Å; V339-T343 PolarHBondContact O-N 2.8Å; V339-T343 PolarHBondContact O-OG1 3.42Å; V339-R413 HydrophobicContact CG1-CG 3.75Å; V339-L416 HydrophobicContact CG1-CB 4.3Å; V339-L416 HydrophobicContact CG2-CB 4.35Å; V339-I417 HydrophobicContact CG1-CG1 4.1Å; V339-I417 HydrophobicContact CG2-CG1 4.37Å; V339-N420 VanDerWaalsContact CG2-ND2 3.27Å; V339-N420 WeakPolarHBondContact CG2-ND2 3.49Å |
| 340 | D | 94.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.9 | -44.6 | -176.6 | -68.1 | -34.2 | 0 | 0 | 0 | 111.1 | D338 S344 R413 | D338-D340 VanDerWaalsContact C-N 3.26Å; D338-D340 PolarHBondContact O-N 3.49Å; D338-D340 PolarHBondContact OD1-N 3.05Å; D338-D340 VanDerWaalsContact OD1-N 3.09Å; D340-S344 WeakPolarHBondContact O-CB 3.35Å; D340-S344 PolarHBondContact O-N 3.04Å; D340-S344 PolarHBondContact O-OG 3.15Å; D340-R413 IonicContact OD1-CZ 3.66Å; D340-R413 IonicContact OD1-NH1 2.91Å; D340-R413 PolarHBondContact OD1-NH1 2.77Å; D340-R413 IonicContact OD1-NH2 2.94Å; D340-R413 PolarHBondContact OD1-NH2 2.91Å |
| 341 | A | 93 | Very high | 92.6 | Very high | 51 Ų | 51 | 38 Ų | 38 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D338 S344 L345 | D338-A341 HydrophobicContact CB-CB 3.85Å; D338-A341 VanDerWaalsContact CG-CB 3.42Å; D338-A341 PolarHBondContact O-N 3.14Å; D338-A341 PolarHBondContact OD1-N 2.92Å; A341-S344 PolarHBondContact O-N 2.98Å; A341-L345 PolarHBondContact O-N 3.03Å |
| 342 | V | 93.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.6 | -37.3 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 111 | V337 D338 L345 F346 V382 M384 F412 L416 | V337-V342 HydrophobicContact CB-CG2 4.34Å; D338-V342 WeakPolarHBondContact O-CB 3.49Å; D338-V342 VanDerWaalsContact O-CG2 3.29Å; D338-V342 WeakPolarHBondContact O-CG2 3.48Å; D338-V342 PolarHBondContact O-N 3.3Å; V342-L345 PolarHBondContact O-N 2.82Å; V342-F346 WeakPolarHBondContact O-CB 3.22Å; V342-F346 PolarHBondContact O-N 2.85Å; V342-V382 HydrophobicContact CG1-CG2 3.96Å; V342-M384 HydrophobicContact CG1-CE 3.86Å; V342-F412 HydrophobicContact CG1-CE1 4.07Å; V342-F412 HydrophobicContact CG1-CZ 3.9Å; V342-L416 HydrophobicContact CB-CD1 3.94Å; V342-L416 HydrophobicContact CG1-CD1 3.76Å; V342-L416 HydrophobicContact CG1-CD2 4.42Å |
| 343 | T | 93.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 173 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | V339 L345 F346 E347 K409 R413 | V339-T343 WeakPolarHBondContact O-CB 3.49Å; V339-T343 PolarHBondContact O-N 2.8Å; V339-T343 PolarHBondContact O-OG1 3.42Å; T343-L345 VanDerWaalsContact C-N 3.32Å; T343-L345 PolarHBondContact O-N 3.42Å; T343-F346 WeakPolarHBondContact O-CB 3.38Å; T343-F346 PolarHBondContact O-N 2.97Å; T343-E347 WeakPolarHBondContact O-CB 3.29Å; T343-E347 PolarHBondContact O-N 3.48Å; T343-K409 HydrophobicContact CG2-CD 4.2Å; T343-K409 HydrophobicContact CG2-CG 3.58Å; T343-R413 HydrophobicContact CG2-CB 4.11Å; T343-R413 HydrophobicContact CG2-CG 4.47Å |
| 344 | S | 92.4 | Very high | 89.6 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177 | -58.1 | 0 | 0 | 0 | 0 | 112 | D340 A341 E347 S348 | D340-S344 WeakPolarHBondContact O-CB 3.35Å; D340-S344 PolarHBondContact O-N 3.04Å; D340-S344 PolarHBondContact O-OG 3.15Å; A341-S344 PolarHBondContact O-N 2.98Å; S344-E347 PolarHBondContact O-N 3.27Å; S344-S348 PolarHBondContact O-N 2.73Å; S344-S348 PolarHBondContact O-OG 3.22Å |
| 345 | L | 91.6 | Very high | 88.7 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 173.8 | -178.2 | 58.1 | 0 | 0 | 0 | 111.7 | A341 V342 T343 S348 T349 M384 | A341-L345 PolarHBondContact O-N 3.03Å; V342-L345 PolarHBondContact O-N 2.82Å; T343-L345 VanDerWaalsContact C-N 3.32Å; T343-L345 PolarHBondContact O-N 3.42Å; L345-S348 PolarHBondContact O-OG 3.04Å; L345-T349 WeakPolarHBondContact O-CB 3.23Å; L345-T349 PolarHBondContact O-N 3.06Å; L345-T349 PolarHBondContact O-OG1 2.85Å; L345-M384 HydrophobicContact CB-CE 4.26Å; L345-M384 HydrophobicContact CD2-CE 3.76Å; L345-M384 HydrophobicContact CG-CE 3.9Å |
| 346 | F | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 174.4 | -177.9 | -104.5 | 0 | 0 | 0 | 112.5 | V342 T343 S348 T349 I350 M384 A387 F391 F412 | V342-F346 WeakPolarHBondContact O-CB 3.22Å; V342-F346 PolarHBondContact O-N 2.85Å; T343-F346 WeakPolarHBondContact O-CB 3.38Å; T343-F346 PolarHBondContact O-N 2.97Å; F346-S348 PolarHBondContact O-N 2.77Å; F346-T349 WeakPolarHBondContact O-CB 3.09Å; F346-T349 PolarHBondContact O-N 2.76Å; F346-I350 HydrophobicContact CD1-CD1 3.89Å; F346-I350 HydrophobicContact CD1-CG1 4.35Å; F346-I350 HydrophobicContact CE1-CD1 3.15Å; F346-I350 HydrophobicContact CE1-CG1 3.96Å; F346-I350 HydrophobicContact CE2-CD1 4.19Å; F346-I350 HydrophobicContact CE2-CG1 4.32Å; F346-I350 HydrophobicContact CZ-CD1 3.32Å; F346-I350 HydrophobicContact CZ-CG1 3.92Å; F346-I350 PolarHBondContact O-N 3.4Å; F346-M384 HydrophobicContact CB-SD 4.09Å; F346-M384 HydrophobicContact CD2-SD 3.94Å; F346-A387 HydrophobicContact CD2-CB 4.35Å; F346-A387 HydrophobicContact CE2-CB 4.29Å; F346-F391 HydrophobicContact CE1-CB 4.28Å; F346-F391 HydrophobicContact CE2-CB 4.24Å; F346-F391 HydrophobicContact CZ-CB 3.53Å; F346-F412 HydrophobicContact CB-CD1 3.54Å; F346-F412 HydrophobicContact CB-CE1 3.31Å; F346-F412 HydrophobicContact CB-CZ 4.18Å; F346-F412 HydrophobicContact CD1-CB 3.9Å; F346-F412 AromaticContact CD1-CD1 3.38Å; F346-F412 HydrophobicContact CD1-CD1 3.38Å; F346-F412 HydrophobicContact CD1-CE1 4.07Å; F346-F412 AromaticContact CD1-CG 3.78Å; F346-F412 HydrophobicContact CD1-CG 3.78Å; F346-F412 AromaticContact CD2-CD1 3.99Å; F346-F412 HydrophobicContact CD2-CD1 3.99Å; F346-F412 HydrophobicContact CD2-CE1 4Å; F346-F412 HydrophobicContact CD2-CG 4.24Å; F346-F412 HydrophobicContact CD2-CZ 4.26Å; F346-F412 HydrophobicContact CE1-CB 3.63Å; F346-F412 AromaticContact CE1-CD1 4Å; F346-F412 HydrophobicContact CE1-CD1 4Å; F346-F412 AromaticContact CE1-CG 3.89Å; F346-F412 HydrophobicContact CE1-CG 3.89Å; F346-F412 HydrophobicContact CE2-CG 4.36Å; F346-F412 AromaticContact CG-CD1 3.37Å; F346-F412 HydrophobicContact CG-CD1 3.37Å; F346-F412 AromaticContact CG-CE1 3.55Å; F346-F412 HydrophobicContact CG-CE1 3.55Å; F346-F412 AromaticContact CG-CG 3.94Å; F346-F412 HydrophobicContact CG-CG 3.94Å; F346-F412 HydrophobicContact CG-CZ 4.26Å; F346-F412 HydrophobicContact CZ-CB 4.12Å; F346-F412 HydrophobicContact CZ-CG 4.2Å |
| 347 | E | 90.1 | Very high | 87.1 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 176 | -179.7 | 170.9 | -142 | 0 | 0 | 111.9 | T343 S344 T349 S351 K409 | T343-E347 WeakPolarHBondContact O-CB 3.29Å; T343-E347 PolarHBondContact O-N 3.48Å; S344-E347 PolarHBondContact O-N 3.27Å; E347-T349 VanDerWaalsContact C-N 3.35Å; E347-S351 VanDerWaalsContact O-CB 3.28Å; E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.13Å; E347-S351 PolarHBondContact O-OG 3.43Å; E347-K409 HydrophobicContact CB-CD 3.94Å; E347-K409 VanDerWaalsContact CD-CD 3.46Å; E347-K409 HydrophobicContact CG-CD 3.93Å; E347-K409 WeakPolarHBondContact OE1-CD 3.38Å; E347-K409 IonicContact OE1-NZ 2.72Å; E347-K409 PolarHBondContact OE1-NZ 3.3Å; E347-K409 IonicContact OE2-NZ 2.69Å |
| 348 | S | 88.1 | Confident | 86.1 | Confident | 65 Ų | 65 | 60 Ų | 60 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 174.8 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | S344 L345 F346 S351 A352 | S344-S348 PolarHBondContact O-N 2.73Å; S344-S348 PolarHBondContact O-OG 3.22Å; L345-S348 PolarHBondContact O-OG 3.04Å; F346-S348 PolarHBondContact O-N 2.77Å; S348-S351 PolarHBondContact O-N 3.46Å; S348-A352 PolarHBondContact O-N 3.49Å; S348-A352 VanDerWaalsContact O-N 3.16Å |
| 349 | T | 86.7 | Confident | 85.1 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | L345 F346 E347 A352 H353 F388 | L345-T349 WeakPolarHBondContact O-CB 3.23Å; L345-T349 PolarHBondContact O-N 3.06Å; L345-T349 PolarHBondContact O-OG1 2.85Å; F346-T349 WeakPolarHBondContact O-CB 3.09Å; F346-T349 PolarHBondContact O-N 2.76Å; E347-T349 VanDerWaalsContact C-N 3.35Å; T349-A352 PolarHBondContact O-N 3.17Å; T349-H353 PolarHBondContact O-ND1 3.45Å; T349-F388 HydrophobicContact CG2-CD2 3.89Å; T349-F388 HydrophobicContact CG2-CE2 4.32Å |
| 350 | I | 87.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.015 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 173 | -76.3 | -170.1 | 0 | 0 | 0 | 110.8 | F346 A352 H353 F388 N392 R405 C408 | F346-I350 HydrophobicContact CD1-CD1 3.89Å; F346-I350 HydrophobicContact CD1-CG1 4.35Å; F346-I350 HydrophobicContact CE1-CD1 3.15Å; F346-I350 HydrophobicContact CE1-CG1 3.96Å; F346-I350 HydrophobicContact CE2-CD1 4.19Å; F346-I350 HydrophobicContact CE2-CG1 4.32Å; F346-I350 HydrophobicContact CZ-CD1 3.32Å; F346-I350 HydrophobicContact CZ-CG1 3.92Å; F346-I350 PolarHBondContact O-N 3.4Å; I350-A352 PolarHBondContact O-N 2.75Å; I350-H353 PolarHBondContact O-N 2.91Å; I350-F388 HydrophobicContact CG1-CD2 4.29Å; I350-F388 HydrophobicContact CG1-CE2 4.22Å; I350-N392 HydrophobicContact CD1-CB 4.14Å; I350-N392 HydrophobicContact CG1-CB 4.24Å; I350-R405 HydrophobicContact CG2-CB 4.12Å; I350-R405 HydrophobicContact CG2-CG 3.56Å; I350-C408 HydrophobicContact CD1-CB 4.02Å |
| 351 | S | 83.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -30.4 | -176.5 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | E347 S348 H353 | E347-S351 VanDerWaalsContact O-CB 3.28Å; E347-S351 WeakPolarHBondContact O-CB 3.31Å; E347-S351 PolarHBondContact O-N 3.13Å; E347-S351 PolarHBondContact O-OG 3.43Å; S348-S351 PolarHBondContact O-N 3.46Å; S351-H353 VanDerWaalsContact C-N 3.28Å; S351-H353 PolarHBondContact O-N 3.41Å |
| 352 | A | 82.5 | Confident | 82.6 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 65% | 0.653 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -12 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S348 T349 I350 | S348-A352 PolarHBondContact O-N 3.49Å; S348-A352 VanDerWaalsContact O-N 3.16Å; T349-A352 PolarHBondContact O-N 3.17Å; I350-A352 PolarHBondContact O-N 2.75Å |
| 353 | H | 73.6 | Confident | 81.6 | Confident | 91 Ų | 91 | 79 Ų | 79 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | trans | -113.9 | 117.8 | -179.9 | -67.8 | 75.2 | 0 | 0 | 0 | 110.4 | T349 I350 S351 S355 F388 R405 | T349-H353 PolarHBondContact O-ND1 3.45Å; I350-H353 PolarHBondContact O-N 2.91Å; S351-H353 VanDerWaalsContact C-N 3.28Å; S351-H353 PolarHBondContact O-N 3.41Å; H353-S355 VanDerWaalsContact C-N 3.26Å; H353-S355 PolarHBondContact O-N 3.09Å; H353-F388 HydrophobicContact CB-CE2 4.08Å; H353-F388 HydrophobicContact CB-CZ 3.72Å; H353-F388 AromaticContact CD2-CZ 3.72Å; H353-F388 AromaticContact CG-CE2 3.91Å; H353-F388 AromaticContact CG-CZ 3.52Å; H353-F388 AromaticContact ND1-CE2 3.92Å; H353-F388 AromaticContact ND1-CZ 3.94Å; H353-R405 PolarHBondContact O-NH2 2.68Å; H353-R405 VanDerWaalsContact O-NH2 3.13Å | ||
| 354 | E | 65.9 | Low | 80.8 | Confident | 177 Ų | 177 | 85.6 Ų | 85.6 | 83% | 0.827 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -75.2 | -7.5 | -172.9 | -68.4 | -172.9 | 164.5 | 0 | 0 | 114.8 | ||
| 355 | S | 74 | Confident | 80.2 | Confident | 80 Ų | 80 | 83.8 Ų | 83.8 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -137.4 | 152 | -175.9 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | H353 N392 | H353-S355 VanDerWaalsContact C-N 3.26Å; H353-S355 PolarHBondContact O-N 3.09Å; S355-N392 PolarHBondContact O-ND2 2.81Å |
| 356 | P | 80.9 | Confident | 79.9 | Confident | 32 Ų | 32 | 88.8 Ų | 88.8 | 21% | 0.208 | 48% | 0.479 | C | S | . | . | trans | -66.1 | 152.8 | 171.3 | 27.8 | -33.8 | 0 | 0 | 0 | 111.5 | N358 | P356-N358 PolarHBondContact O-N 2.89Š| ||
| 357 | S | 77.6 | Confident | 79.9 | Confident | 16 Ų | 16 | 89.3 Ų | 89.3 | 11% | 0.112 | 48% | 0.482 | C | S | . | . | trans | -68.8 | 123.4 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | E359 N392 R393 | S357-E359 PolarHBondContact OG-N 3.5Å; S357-N392 PolarHBondContact N-O 2.83Å; S357-R393 PolarHBondContact O-NH1 3.12Å | ||
| 358 | N | 74.4 | Confident | 80 | Confident | 149 Ų | 149 | 92.6 Ų | 92.6 | 80% | 0.797 | 50% | 0.497 | S | S | * | . | trans | -91.2 | -0.2 | 172.9 | -70.9 | -20.9 | 0 | 0 | 0 | 112.9 | P356 | P356-N358 PolarHBondContact O-N 2.89Š| ||
| 359 | E | 76.9 | Confident | 80.3 | Confident | 125 Ų | 125 | 91.5 Ų | 91.5 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -73.4 | 133.7 | -178.5 | -67.5 | -176.3 | 178.9 | 0 | 0 | 110.9 | S357 I361 H389 R393 | S357-E359 PolarHBondContact OG-N 3.5Å; E359-I361 PolarHBondContact O-N 2.9Å; E359-H389 WeakPolarHBondContact CB-CE1 3.35Å; E359-H389 PolarHBondContact O-CE1 3.18Å; E359-H389 IonicContact OE2-CE1 3.24Å; E359-H389 IonicContact OE2-ND1 3.75Å; E359-R393 VanDerWaalsContact O-CZ 3.27Å; E359-R393 PolarHBondContact O-NH1 3.47Å; E359-R393 PolarHBondContact O-NH2 3Å |
| 360 | P | 76.9 | Confident | 80.6 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 73% | 0.734 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 139.6 | 178.9 | 22 | -30.4 | 0 | 0 | 0 | 111.7 | I362 H389 | P360-I362 PolarHBondContact O-N 3.42Å; P360-H389 PolarHBondContact O-CE1 3.15Å; P360-H389 VanDerWaalsContact O-CE1 3.24Å; P360-H389 PolarHBondContact O-NE2 3.13Å; P360-H389 VanDerWaalsContact O-NE2 3.11Å |
| 361 | I | 77.3 | Confident | 80.9 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 126.8 | 174.2 | -62.8 | 172 | 0 | 0 | 0 | 107.9 | E359 E363 L390 | E359-I361 PolarHBondContact O-N 2.9Å; I361-E363 PolarHBondContact O-N 3.18Å; I361-L390 HydrophobicContact CG2-CD2 3.91Å |
| 362 | I | 75.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 126.4 | 174.2 | -58.9 | 170.8 | 0 | 0 | 0 | 107.8 | P360 N364 A365 | P360-I362 PolarHBondContact O-N 3.42Å; I362-N364 PolarHBondContact O-N 2.98Å; I362-A365 HydrophobicContact CB-CB 4.05Å; I362-A365 WeakPolarHBondContact O-CB 3.34Å; I362-A365 PolarHBondContact O-N 2.88Å; I362-A365 VanDerWaalsContact O-N 3.11Å |
| 363 | E | 72.3 | Confident | 81.7 | Confident | 177 Ų | 177 | 99.3 Ų | 99.3 | 83% | 0.827 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131 | 175.9 | -80.5 | -174.8 | 154.6 | 0 | 0 | 110.4 | I361 A365 | I361-E363 PolarHBondContact O-N 3.18Å; E363-A365 VanDerWaalsContact C-N 3.3Å; E363-A365 PolarHBondContact O-N 3.36Å |
| 364 | N | 76.7 | Confident | 82.5 | Confident | 144 Ų | 144 | 98.3 Ų | 98.3 | 77% | 0.77 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 3.6 | -177.6 | -51 | -48.9 | 0 | 0 | 0 | 117.4 | I362 R366 | I362-N364 PolarHBondContact O-N 2.98Å; N364-R366 PolarHBondContact O-N 3.17Å; N364-R366 VanDerWaalsContact O-N 3.13Å |
| 365 | A | 79.8 | Confident | 83.7 | Confident | 30 Ų | 30 | 92 Ų | 92 | 25% | 0.248 | 47% | 0.467 | C | S | . | . | trans | -67.3 | 114 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I362 E363 L386 | I362-A365 HydrophobicContact CB-CB 4.05Å; I362-A365 WeakPolarHBondContact O-CB 3.34Å; I362-A365 PolarHBondContact O-N 2.88Å; I362-A365 VanDerWaalsContact O-N 3.11Å; E363-A365 VanDerWaalsContact C-N 3.3Å; E363-A365 PolarHBondContact O-N 3.36Å; A365-L386 HydrophobicContact CB-CD1 4.17Å | ||
| 366 | R | 85.5 | Confident | 84.6 | Confident | 193 Ų | 193 | 92.6 Ų | 92.6 | 73% | 0.728 | 46% | 0.459 | S | S | * | . | trans | -120.6 | 141.8 | 178.6 | -66.1 | -178.2 | -177.3 | -176.2 | 1.8 | 109.6 | N364 | N364-R366 PolarHBondContact O-N 3.17Å; N364-R366 VanDerWaalsContact O-N 3.13Å | ||
| 367 | L | 91.6 | Very high | 85.2 | Confident | 12 Ų | 12 | 93.9 Ų | 93.9 | 6% | 0.063 | 46% | 0.46 | C | S | . | . | trans | -74.2 | 131.9 | 173 | -164.6 | 73.1 | 0 | 0 | 0 | 108.9 | V382 L386 A387 L390 F391 F412 L416 L419 | L367-V382 HydrophobicContact CD1-CB 3.93Å; L367-V382 HydrophobicContact CD1-CG2 4.33Å; L367-V382 HydrophobicContact CD2-CB 4.05Å; L367-V382 HydrophobicContact CD2-CG1 4.05Å; L367-V382 HydrophobicContact CD2-CG2 4.15Å; L367-V382 HydrophobicContact CG-CB 4Å; L367-V382 HydrophobicContact CG-CG1 4.17Å; L367-L386 HydrophobicContact CD1-CB 4.44Å; L367-L386 HydrophobicContact CD1-CD2 4.39Å; L367-L386 HydrophobicContact CD1-CG 4.37Å; L367-A387 HydrophobicContact CD1-CB 4.01Å; L367-A387 HydrophobicContact CD2-CB 4.47Å; L367-L390 HydrophobicContact CB-CD1 4.37Å; L367-F391 HydrophobicContact CD2-CE2 4.12Å; L367-F412 HydrophobicContact CD2-CD2 4.34Å; L367-F412 HydrophobicContact CD2-CE2 3.7Å; L367-L416 HydrophobicContact CD2-CD2 4.2Å; L367-L419 HydrophobicContact CB-CD1 4.31Å; L367-L419 HydrophobicContact CD2-CD1 4.04Å; L367-L419 HydrophobicContact CG-CD1 4.18Å; L367-L419 WeakPolarHBondContact O-CD2 3.29Å | ||
| 368 | E | 93.2 | Very high | 86 | Confident | 145 Ų | 145 | 95.9 Ų | 95.9 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | trans | -125.8 | 155.6 | 177.5 | -65.6 | -176.1 | 174.6 | 0 | 0 | 110.3 | I370 | E368-I370 PolarHBondContact O-N 2.92Š| ||
| 369 | I | 94 | Very high | 86.9 | Confident | 41 Ų | 41 | 94.9 Ų | 94.9 | 21% | 0.21 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122.7 | 173.3 | -65.1 | -178.7 | 0 | 0 | 0 | 108.9 | V337 L419 A423 | V337-I369 HydrophobicContact CG1-CD1 4.49Å; V337-I369 HydrophobicContact CG1-CG1 4.24Å; V337-I369 HydrophobicContact CG1-CG2 4.23Å; I369-L419 HydrophobicContact CD1-CB 4.01Å; I369-L419 HydrophobicContact CG1-CB 3.99Å; I369-L419 HydrophobicContact CG1-CD1 4.47Å; I369-A423 HydrophobicContact CD1-CB 3.95Å |
| 370 | I | 93.5 | Very high | 87.8 | Confident | 87 Ų | 87 | 89.1 Ų | 89.1 | 45% | 0.446 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.5 | 167.8 | -56.8 | 174.4 | 0 | 0 | 0 | 107 | E368 D372 S380 T381 D383 | E368-I370 PolarHBondContact O-N 2.92Å; I370-D372 PolarHBondContact O-N 3Å; I370-S380 WeakPolarHBondContact O-CA 3.33Å; I370-S380 WeakPolarHBondContact O-CB 3.48Å; I370-T381 HydrophobicContact CB-CG2 3.86Å; I370-T381 HydrophobicContact CD1-CG2 4.42Å; I370-T381 HydrophobicContact CG2-CG2 4.18Å; I370-T381 PolarHBondContact N-O 2.8Å; I370-T381 PolarHBondContact O-N 2.7Å; I370-D383 HydrophobicContact CD1-CB 4.26Å |
| 371 | Q | 92 | Very high | 88.6 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | trans | -58.6 | 133 | -179.3 | -179.3 | 56.4 | 55.8 | 0 | 0 | 111.6 | M334 F335 Q373 Y375 S380 | M334-Q371 PolarHBondContact O-NE2 2.94Å; F335-Q371 VanDerWaalsContact CD1-OE1 3.25Å; Q371-Q373 PolarHBondContact O-N 3.15Å; Q371-Y375 HydrophobicContact CG-CD1 4.28Å; Q371-Y375 HydrophobicContact CG-CE1 3.71Å; Q371-Y375 HydrophobicContact CG-CE2 4.4Å; Q371-S380 PolarHBondContact NE2-OG 3.14Å | ||
| 372 | D | 93.9 | Very high | 89.4 | Confident | 36 Ų | 36 | 82.1 Ų | 82.1 | 19% | 0.193 | 39% | 0.391 | C | S | . | . | trans | -60.8 | 128.2 | 170.7 | 178.3 | 50 | 0 | 0 | 0 | 110.4 | I370 E374 Y375 K376 K379 S380 | I370-D372 PolarHBondContact O-N 3Å; D372-E374 PolarHBondContact O-N 3.08Å; D372-E374 VanDerWaalsContact OD2-C 3.29Å; D372-E374 WeakPolarHBondContact OD2-CB 3.28Å; D372-E374 PolarHBondContact OD2-N 3.19Å; D372-Y375 PolarHBondContact O-N 2.78Å; D372-Y375 PolarHBondContact OD2-N 2.8Å; D372-K376 WeakPolarHBondContact OD2-CB 3.48Å; D372-K376 PolarHBondContact OD2-N 2.91Å; D372-K379 HydrophobicContact CB-CB 4.13Å; D372-S380 PolarHBondContact N-OG 2.79Å | ||
| 373 | Q | 90 | Very high | 90.2 | Very high | 167 Ų | 167 | 80 Ų | 80 | 78% | 0.78 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27 | -178.7 | -68.3 | -165.3 | -10 | 0 | 0 | 112.4 | P259 Q371 | P259-Q373 VanDerWaalsContact CB-O 3.25Å; P259-Q373 WeakPolarHBondContact CB-O 3.01Å; Q371-Q373 PolarHBondContact O-N 3.15Å |
| 374 | E | 90 | Very high | 91.1 | Very high | 70 Ų | 70 | 73.2 Ų | 73.2 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.4 | -179.9 | -68.1 | -65.6 | 113.3 | 0 | 0 | 113.3 | R262 D372 K376 | R262-E374 WeakPolarHBondContact CD-O 3.48Å; R262-E374 IonicContact CZ-OE2 3.3Å; R262-E374 PolarHBondContact NH1-O 3.37Å; R262-E374 IonicContact NH1-OE2 3.47Å; R262-E374 PolarHBondContact NH1-OE2 3.03Å; R262-E374 IonicContact NH2-OE2 3.53Å; R262-E374 PolarHBondContact NH2-OE2 3.16Å; D372-E374 PolarHBondContact O-N 3.08Å; D372-E374 VanDerWaalsContact OD2-C 3.29Å; D372-E374 WeakPolarHBondContact OD2-CB 3.28Å; D372-E374 PolarHBondContact OD2-N 3.19Å; E374-K376 HydrophobicContact CB-CD 4.37Å; E374-K376 HydrophobicContact CB-CG 4.16Å; E374-K376 PolarHBondContact O-N 3.48Å |
| 375 | Y | 92 | Very high | 91.6 | Very high | 45 Ų | 45 | 75 Ų | 75 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | trans | 52.1 | 35.7 | -179.4 | -68.1 | -102.1 | 0 | 0 | 0 | 114.1 | P259 H260 P263 F335 Q371 D372 | P259-Y375 HydrophobicContact CB-CD2 4.38Å; P259-Y375 WeakPolarHBondContact O-CD2 3.44Å; H260-Y375 HydrophobicContact CB-CE2 3.79Å; H260-Y375 WeakPolarHBondContact CB-OH 3.26Å; P263-Y375 HydrophobicContact CG-CD1 3.6Å; P263-Y375 HydrophobicContact CG-CE1 4.38Å; P263-Y375 HydrophobicContact CG-CG 4.13Å; F335-Y375 HydrophobicContact CE1-CD1 4.25Å; F335-Y375 AromaticContact CE1-CE1 3.99Å; F335-Y375 HydrophobicContact CE1-CE1 3.99Å; Q371-Y375 HydrophobicContact CG-CD1 4.28Å; Q371-Y375 HydrophobicContact CG-CE1 3.71Å; Q371-Y375 HydrophobicContact CG-CE2 4.4Å; D372-Y375 PolarHBondContact O-N 2.78Å; D372-Y375 PolarHBondContact OD2-N 2.8Å | ||
| 376 | K | 92 | Very high | 92.1 | Very high | 93 Ų | 93 | 75.4 Ų | 75.4 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | trans | -72.8 | 144.5 | 175 | -67.5 | 175 | -177 | 172.8 | 0 | 110.4 | D372 E374 L378 K379 | D372-K376 WeakPolarHBondContact OD2-CB 3.48Å; D372-K376 PolarHBondContact OD2-N 2.91Å; E374-K376 HydrophobicContact CB-CD 4.37Å; E374-K376 HydrophobicContact CB-CG 4.16Å; E374-K376 PolarHBondContact O-N 3.48Å; K376-L378 PolarHBondContact O-N 3.17Å; K376-K379 HydrophobicContact CB-CB 3.86Å; K376-K379 HydrophobicContact CB-CG 3.6Å; K376-K379 HydrophobicContact CD-CG 4.5Å; K376-K379 PolarHBondContact O-N 3.32Å | ||
| 377 | R | 93.5 | Very high | 92.3 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.7 | 177.6 | -65.7 | 179.6 | -178.9 | -88.1 | -3.1 | 111.4 | A329 K330 E333 M334 K379 E481 | A329-R377 PolarHBondContact O-NH1 3.32Å; A329-R377 PolarHBondContact O-NH2 2.86Å; K330-R377 PolarHBondContact O-NH1 3.32Å; E333-R377 HydrophobicContact CB-CB 4.13Å; E333-R377 HydrophobicContact CB-CG 4.16Å; E333-R377 CarbonylContact O-C 2.99Å; E333-R377 WeakPolarHBondContact O-CA 3.22Å; E333-R377 IonicContact OE2-CZ 3.69Å; E333-R377 IonicContact OE2-NH1 2.9Å; E333-R377 PolarHBondContact OE2-NH1 2.57Å; M334-R377 HydrophobicContact CE-CG 4.37Å; M334-R377 HydrophobicContact CG-CG 3.98Å; R377-K379 PolarHBondContact O-N 3.19Å; R377-E481 IonicContact CZ-OE1 2.61Å; R377-E481 IonicContact CZ-OE2 2.81Å; R377-E481 IonicContact NE-OE1 3.82Å; R377-E481 PolarHBondContact NE-OE1 3.11Å; R377-E481 IonicContact NE-OE2 3.18Å; R377-E481 IonicContact NH2-OE1 2.8Å; R377-E481 PolarHBondContact NH2-OE1 2.9Å; R377-E481 VanDerWaalsContact NH2-OE1 3.16Å; R377-E481 IonicContact NH2-OE2 3.02Å; R377-E481 PolarHBondContact NH2-OE2 3.38Å |
| 378 | L | 94.8 | Very high | 92.1 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 29.7 | 177.6 | -54.2 | 175.7 | 0 | 0 | 0 | 113.7 | E333 Q336 D338 K376 | E333-L378 HydrophobicContact CB-CD2 4.14Å; E333-L378 HydrophobicContact CB-CG 4.26Å; E333-L378 HydrophobicContact CG-CD2 4.21Å; E333-L378 HydrophobicContact CG-CG 4.46Å; E333-L378 PolarHBondContact O-N 3.28Å; Q336-L378 HydrophobicContact CB-CD2 3.85Å; Q336-L378 CarbonylContact O-C 3.54Å; Q336-L378 WeakPolarHBondContact O-CA 3.48Å; D338-L378 HydrophobicContact CB-CB 4.07Å; D338-L378 WeakPolarHBondContact CB-O 3.26Å; D338-L378 PolarHBondContact N-O 3.2Å; K376-L378 PolarHBondContact O-N 3.17Å |
| 379 | K | 94.3 | Very high | 91.8 | Very high | 128 Ų | 128 | 61.6 Ų | 61.6 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | B | Isolated β-bridge | trans | -109.6 | -3.6 | 179.5 | -66.4 | -53.9 | -177.9 | -169.6 | 0 | 114.8 | D372 K376 R377 | D372-K379 HydrophobicContact CB-CB 4.13Å; K376-K379 HydrophobicContact CB-CB 3.86Å; K376-K379 HydrophobicContact CB-CG 3.6Å; K376-K379 HydrophobicContact CD-CG 4.5Å; K376-K379 PolarHBondContact O-N 3.32Å; R377-K379 PolarHBondContact O-N 3.19Å |
| 380 | S | 94.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 154.6 | 168.3 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | Q336 V337 I370 Q371 D372 | Q336-S380 WeakPolarHBondContact O-CB 3.35Å; Q336-S380 PolarHBondContact O-N 2.86Å; V337-S380 WeakPolarHBondContact CA-O 3.45Å; V337-S380 WeakPolarHBondContact CG1-O 3.32Å; I370-S380 WeakPolarHBondContact O-CA 3.33Å; I370-S380 WeakPolarHBondContact O-CB 3.48Å; Q371-S380 PolarHBondContact NE2-OG 3.14Å; D372-S380 PolarHBondContact N-OG 2.79Å |
| 381 | T | 94.2 | Very high | 91.4 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | -175.4 | -174.4 | -167.5 | 0 | 0 | 0 | 0 | 110.7 | I370 | I370-T381 HydrophobicContact CB-CG2 3.86Å; I370-T381 HydrophobicContact CD1-CG2 4.42Å; I370-T381 HydrophobicContact CG2-CG2 4.18Å; I370-T381 PolarHBondContact N-O 2.8Å; I370-T381 PolarHBondContact O-N 2.7Å |
| 382 | V | 94.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 161.2 | 171.3 | -61.8 | 0 | 0 | 0 | 0 | 108.9 | V337 V342 L367 M384 F412 L416 L419 | V337-V382 HydrophobicContact CG1-CG1 4.15Å; V342-V382 HydrophobicContact CG1-CG2 3.96Å; L367-V382 HydrophobicContact CD1-CB 3.93Å; L367-V382 HydrophobicContact CD1-CG2 4.33Å; L367-V382 HydrophobicContact CD2-CB 4.05Å; L367-V382 HydrophobicContact CD2-CG1 4.05Å; L367-V382 HydrophobicContact CD2-CG2 4.15Å; L367-V382 HydrophobicContact CG-CB 4Å; L367-V382 HydrophobicContact CG-CG1 4.17Å; V382-M384 PolarHBondContact O-N 2.81Å; V382-F412 HydrophobicContact CG2-CE2 4.34Å; V382-F412 HydrophobicContact CG2-CZ 4.04Å; V382-L416 HydrophobicContact CG1-CD2 3.75Å; V382-L416 HydrophobicContact CG2-CD2 4.17Å; V382-L419 HydrophobicContact CG1-CD1 4.48Å |
| 383 | D | 93.1 | Very high | 91 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | trans | -67.2 | 104.7 | 171.4 | -176 | -21.1 | 0 | 0 | 0 | 109.5 | I370 K385 L386 A387 | I370-D383 HydrophobicContact CD1-CB 4.26Å; D383-K385 VanDerWaalsContact C-N 3.28Å; D383-K385 PolarHBondContact O-N 3.22Å; D383-K385 WeakPolarHBondContact OD1-CA 3.36Å; D383-K385 WeakPolarHBondContact OD1-CB 3.36Å; D383-K385 PolarHBondContact OD1-N 3.04Å; D383-L386 HydrophobicContact CB-CB 3.85Å; D383-L386 PolarHBondContact O-N 2.7Å; D383-L386 PolarHBondContact OD1-N 3.1Å; D383-L386 VanDerWaalsContact OD1-N 3.08Å; D383-A387 WeakPolarHBondContact O-CB 3.42Å; D383-A387 PolarHBondContact O-N 3.07Å | ||
| 384 | M | 90.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 17% | 0.172 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67 | -28.5 | -177.6 | -165.2 | 59 | 62.5 | 0 | 0 | 112.6 | V342 L345 F346 V382 A387 F388 | V342-M384 HydrophobicContact CG1-CE 3.86Å; L345-M384 HydrophobicContact CB-CE 4.26Å; L345-M384 HydrophobicContact CD2-CE 3.76Å; L345-M384 HydrophobicContact CG-CE 3.9Å; F346-M384 HydrophobicContact CB-SD 4.09Å; F346-M384 HydrophobicContact CD2-SD 3.94Å; V382-M384 PolarHBondContact O-N 2.81Å; M384-A387 HydrophobicContact SD-CB 4.4Å; M384-F388 WeakPolarHBondContact O-CB 3.4Å; M384-F388 PolarHBondContact O-N 3.34Å |
| 385 | K | 87.7 | Confident | 90.4 | Very high | 180 Ų | 180 | 49.3 Ų | 49.3 | 78% | 0.783 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.1 | -45.6 | 175.9 | -66.1 | -178.7 | 177.8 | 179.3 | 0 | 110 | D383 A387 F388 H389 | D383-K385 VanDerWaalsContact C-N 3.28Å; D383-K385 PolarHBondContact O-N 3.22Å; D383-K385 WeakPolarHBondContact OD1-CA 3.36Å; D383-K385 WeakPolarHBondContact OD1-CB 3.36Å; D383-K385 PolarHBondContact OD1-N 3.04Å; K385-A387 VanDerWaalsContact C-N 3.34Å; K385-F388 PolarHBondContact O-N 2.84Å; K385-H389 PolarHBondContact O-N 3.26Å |
| 386 | L | 89.5 | Confident | 89.9 | Confident | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 174.9 | -177.7 | 59.2 | 0 | 0 | 0 | 111.4 | A365 L367 D383 F388 H389 L390 | A365-L386 HydrophobicContact CB-CD1 4.17Å; L367-L386 HydrophobicContact CD1-CB 4.44Å; L367-L386 HydrophobicContact CD1-CD2 4.39Å; L367-L386 HydrophobicContact CD1-CG 4.37Å; D383-L386 HydrophobicContact CB-CB 3.85Å; D383-L386 PolarHBondContact O-N 2.7Å; D383-L386 PolarHBondContact OD1-N 3.1Å; D383-L386 VanDerWaalsContact OD1-N 3.08Å; L386-F388 PolarHBondContact O-N 2.89Å; L386-H389 PolarHBondContact O-N 2.88Å; L386-L390 HydrophobicContact CD1-CD1 3.95Å; L386-L390 HydrophobicContact CD1-CG 3.99Å; L386-L390 HydrophobicContact CD2-CD1 4.46Å; L386-L390 HydrophobicContact CG-CD1 3.84Å; L386-L390 HydrophobicContact CG-CG 4.28Å; L386-L390 WeakPolarHBondContact O-CB 3.46Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.2Å |
| 387 | A | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F346 L367 D383 M384 K385 H389 L390 F391 F412 | F346-A387 HydrophobicContact CD2-CB 4.35Å; F346-A387 HydrophobicContact CE2-CB 4.29Å; L367-A387 HydrophobicContact CD1-CB 4.01Å; L367-A387 HydrophobicContact CD2-CB 4.47Å; D383-A387 WeakPolarHBondContact O-CB 3.42Å; D383-A387 PolarHBondContact O-N 3.07Å; M384-A387 HydrophobicContact SD-CB 4.4Å; K385-A387 VanDerWaalsContact C-N 3.34Å; A387-H389 VanDerWaalsContact C-N 3.33Å; A387-H389 PolarHBondContact O-N 3Å; A387-L390 PolarHBondContact O-N 3.06Å; A387-F391 HydrophobicContact CB-CD2 4.47Å; A387-F391 WeakPolarHBondContact O-CB 3.24Å; A387-F391 VanDerWaalsContact O-CD2 3.29Å; A387-F391 WeakPolarHBondContact O-CD2 3.16Å; A387-F391 PolarHBondContact O-N 2.59Å; A387-F412 HydrophobicContact CB-CD2 4.17Å; A387-F412 HydrophobicContact CB-CE2 3.48Å; A387-F412 VanDerWaalsContact CB-CE2 3.48Å; A387-F412 HydrophobicContact CB-CZ 4.02Å |
| 388 | F | 88.3 | Confident | 88.7 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.6 | -173.1 | -94.6 | 0 | 0 | 0 | 111.6 | T349 I350 H353 M384 K385 L386 L390 N392 | T349-F388 HydrophobicContact CG2-CD2 3.89Å; T349-F388 HydrophobicContact CG2-CE2 4.32Å; I350-F388 HydrophobicContact CG1-CD2 4.29Å; I350-F388 HydrophobicContact CG1-CE2 4.22Å; H353-F388 HydrophobicContact CB-CE2 4.08Å; H353-F388 HydrophobicContact CB-CZ 3.72Å; H353-F388 AromaticContact CD2-CZ 3.72Å; H353-F388 AromaticContact CG-CE2 3.91Å; H353-F388 AromaticContact CG-CZ 3.52Å; H353-F388 AromaticContact ND1-CE2 3.92Å; H353-F388 AromaticContact ND1-CZ 3.94Å; M384-F388 WeakPolarHBondContact O-CB 3.4Å; M384-F388 PolarHBondContact O-N 3.34Å; K385-F388 PolarHBondContact O-N 2.84Å; L386-F388 PolarHBondContact O-N 2.89Å; F388-L390 PolarHBondContact O-N 3.26Å; F388-N392 HydrophobicContact CD2-CB 4.09Å; F388-N392 HydrophobicContact CE2-CB 4.03Å; F388-N392 WeakPolarHBondContact CE2-ND2 3.19Å; F388-N392 HydrophobicContact CG-CB 4.39Å; F388-N392 HydrophobicContact CZ-CB 4.25Å; F388-N392 WeakPolarHBondContact CZ-ND2 3.49Å; F388-N392 WeakPolarHBondContact O-CB 3.3Å; F388-N392 PolarHBondContact O-N 3.38Å |
| 389 | H | 86 | Confident | 87.7 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.7 | -176.1 | 50.9 | 0 | 0 | 0 | 113 | E359 P360 K385 L386 A387 R393 | E359-H389 WeakPolarHBondContact CB-CE1 3.35Å; E359-H389 PolarHBondContact O-CE1 3.18Å; E359-H389 IonicContact OE2-CE1 3.24Å; E359-H389 IonicContact OE2-ND1 3.75Å; P360-H389 PolarHBondContact O-CE1 3.15Å; P360-H389 VanDerWaalsContact O-CE1 3.24Å; P360-H389 PolarHBondContact O-NE2 3.13Å; P360-H389 VanDerWaalsContact O-NE2 3.11Å; K385-H389 PolarHBondContact O-N 3.26Å; L386-H389 PolarHBondContact O-N 2.88Å; A387-H389 VanDerWaalsContact C-N 3.33Å; A387-H389 PolarHBondContact O-N 3Å; H389-R393 PolarHBondContact CE1-NH2 3.46Å; H389-R393 VanDerWaalsContact CE1-NH2 3.29Å; H389-R393 PolarHBondContact ND1-NH2 2.96Å; H389-R393 PolarHBondContact O-NE 3.29Å; H389-R393 PolarHBondContact O-NH2 3.44Å |
| 390 | L | 88.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.141 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.7 | -40.6 | -176.4 | -69.8 | 175.7 | 0 | 0 | 0 | 112.9 | I361 L367 L386 A387 F388 R393 | I361-L390 HydrophobicContact CG2-CD2 3.91Å; L367-L390 HydrophobicContact CB-CD1 4.37Å; L386-L390 HydrophobicContact CD1-CD1 3.95Å; L386-L390 HydrophobicContact CD1-CG 3.99Å; L386-L390 HydrophobicContact CD2-CD1 4.46Å; L386-L390 HydrophobicContact CG-CD1 3.84Å; L386-L390 HydrophobicContact CG-CG 4.28Å; L386-L390 WeakPolarHBondContact O-CB 3.46Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.2Å; A387-L390 PolarHBondContact O-N 3.06Å; F388-L390 PolarHBondContact O-N 3.26Å; L390-R393 WeakPolarHBondContact O-CG 3.31Å |
| 391 | F | 90.3 | Very high | 86.7 | Confident | 34 Ų | 34 | 57 Ų | 57 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -106.6 | -23.5 | -165.9 | -64.4 | -79.5 | 0 | 0 | 0 | 114.9 | F346 L367 A387 R393 C408 R411 F412 T415 | F346-F391 HydrophobicContact CE1-CB 4.28Å; F346-F391 HydrophobicContact CE2-CB 4.24Å; F346-F391 HydrophobicContact CZ-CB 3.53Å; L367-F391 HydrophobicContact CD2-CE2 4.12Å; A387-F391 HydrophobicContact CB-CD2 4.47Å; A387-F391 WeakPolarHBondContact O-CB 3.24Å; A387-F391 VanDerWaalsContact O-CD2 3.29Å; A387-F391 WeakPolarHBondContact O-CD2 3.16Å; A387-F391 PolarHBondContact O-N 2.59Å; F391-R393 VanDerWaalsContact C-N 3.26Å; F391-R393 PolarHBondContact O-N 3.37Å; F391-C408 WeakPolarHBondContact O-CB 3.18Å; F391-C408 PolarHBondContact O-SG 2.91Å; F391-R411 HydrophobicContact CD1-CB 4.27Å; F391-F412 HydrophobicContact CB-CB 4.13Å; F391-F412 HydrophobicContact CD1-CB 4.2Å; F391-F412 HydrophobicContact CD2-CB 4.36Å; F391-F412 AromaticContact CD2-CD2 3.55Å; F391-F412 HydrophobicContact CD2-CD2 3.55Å; F391-F412 HydrophobicContact CD2-CE2 4.33Å; F391-F412 HydrophobicContact CD2-CG 4.39Å; F391-F412 AromaticContact CE2-CD2 3.85Å; F391-F412 HydrophobicContact CE2-CD2 3.85Å; F391-F412 HydrophobicContact CE2-CE2 4.48Å; F391-F412 HydrophobicContact CG-CB 3.96Å; F391-F412 HydrophobicContact CG-CD2 4.03Å; F391-F412 HydrophobicContact CG-CG 4.46Å; F391-T415 HydrophobicContact CE1-CG2 4.5Å; F391-T415 WeakPolarHBondContact CE1-OG1 3.25Å; F391-T415 HydrophobicContact CZ-CG2 3.79Å; F391-T415 WeakPolarHBondContact CZ-OG1 3.5Å |
| 392 | N | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -78.3 | 72.3 | 175.7 | -175.8 | 34.2 | 0 | 0 | 0 | 111.3 | I350 S355 S357 F388 R404 | I350-N392 HydrophobicContact CD1-CB 4.14Å; I350-N392 HydrophobicContact CG1-CB 4.24Å; S355-N392 PolarHBondContact O-ND2 2.81Å; S357-N392 PolarHBondContact N-O 2.83Å; F388-N392 HydrophobicContact CD2-CB 4.09Å; F388-N392 HydrophobicContact CE2-CB 4.03Å; F388-N392 WeakPolarHBondContact CE2-ND2 3.19Å; F388-N392 HydrophobicContact CG-CB 4.39Å; F388-N392 HydrophobicContact CZ-CB 4.25Å; F388-N392 WeakPolarHBondContact CZ-ND2 3.49Å; F388-N392 WeakPolarHBondContact O-CB 3.3Å; F388-N392 PolarHBondContact O-N 3.38Å; N392-R404 PolarHBondContact OD1-NH1 3.23Å; N392-R404 PolarHBondContact OD1-NH2 2.98Å |
| 393 | R | 87.3 | Confident | 85.8 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | trans | -115.7 | 159.1 | -172.2 | -64 | -61.4 | 179.7 | 174 | -1.6 | 113 | S357 E359 H389 L390 F391 R404 C408 | S357-R393 PolarHBondContact O-NH1 3.12Å; E359-R393 VanDerWaalsContact O-CZ 3.27Å; E359-R393 PolarHBondContact O-NH1 3.47Å; E359-R393 PolarHBondContact O-NH2 3Å; H389-R393 PolarHBondContact CE1-NH2 3.46Å; H389-R393 VanDerWaalsContact CE1-NH2 3.29Å; H389-R393 PolarHBondContact ND1-NH2 2.96Å; H389-R393 PolarHBondContact O-NE 3.29Å; H389-R393 PolarHBondContact O-NH2 3.44Å; L390-R393 WeakPolarHBondContact O-CG 3.31Å; F391-R393 VanDerWaalsContact C-N 3.26Å; F391-R393 PolarHBondContact O-N 3.37Å; R393-R404 PolarHBondContact O-NH1 3.4Å; R393-R404 VanDerWaalsContact O-NH1 3.12Å; R393-C408 PolarHBondContact O-SG 3.34Å; R393-C408 VanDerWaalsContact O-SG 3.38Å | ||
| 394 | P | 84 | Confident | 85.6 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | trans | -63.6 | 146.3 | 163.2 | 27.3 | -30.9 | 0 | 0 | 0 | 109.9 | ||||
| 395 | V | 82.8 | Confident | 85.5 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | trans | -123.9 | 120 | -179.8 | -176.5 | 0 | 0 | 0 | 0 | 109 | G397 I398 R404 T407 | V395-G397 PolarHBondContact O-N 2.86Å; V395-I398 HydrophobicContact CB-CD1 4.04Å; V395-I398 HydrophobicContact CB-CG1 4.44Å; V395-I398 HydrophobicContact CG1-CD1 3.6Å; V395-I398 HydrophobicContact CG1-CG1 4.09Å; V395-I398 PolarHBondContact O-N 2.96Å; V395-R404 HydrophobicContact CB-CG 4.48Å; V395-R404 HydrophobicContact CG2-CG 4.07Å; V395-T407 HydrophobicContact CG1-CG2 4.09Å; V395-T407 HydrophobicContact CG2-CG2 4.19Å | ||
| 396 | D | 80.9 | Confident | 85.5 | Confident | 165 Ų | 165 | 61.5 Ų | 61.5 | 88% | 0.882 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 133.4 | -179.1 | -64.8 | -28 | 0 | 0 | 0 | 111.6 | ||
| 397 | G | 80.9 | Confident | 85.5 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 92% | 0.918 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 2.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V395 | V395-G397 PolarHBondContact O-N 2.86Š|
| 398 | I | 80.7 | Confident | 85.6 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | trans | -114.3 | 116.3 | 179.7 | -57.4 | -175.1 | 0 | 0 | 0 | 110.6 | V395 S400 D403 R404 T407 | V395-I398 HydrophobicContact CB-CD1 4.04Å; V395-I398 HydrophobicContact CB-CG1 4.44Å; V395-I398 HydrophobicContact CG1-CD1 3.6Å; V395-I398 HydrophobicContact CG1-CG1 4.09Å; V395-I398 PolarHBondContact O-N 2.96Å; I398-S400 WeakPolarHBondContact CG2-O 3.28Å; I398-D403 HydrophobicContact CG2-CB 3.51Å; I398-R404 HydrophobicContact CG2-CB 4.35Å; I398-T407 HydrophobicContact CD1-CG2 4.38Å; I398-T407 VanDerWaalsContact CD1-OG1 3.26Å; I398-T407 WeakPolarHBondContact CD1-OG1 3.4Å | ||
| 399 | S | 74.2 | Confident | 85.7 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 93% | 0.93 | 34% | 0.336 | S | S | * | . | trans | -96.1 | -12.6 | -179.8 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 400 | S | 84.4 | Confident | 86.1 | Confident | 38 Ų | 38 | 64 Ų | 64 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | trans | -96.2 | 122.2 | -178.5 | 153.2 | 0 | 0 | 0 | 0 | 109.7 | I398 R402 D403 R404 | I398-S400 WeakPolarHBondContact CG2-O 3.28Å; S400-R402 PolarHBondContact O-N 3.26Å; S400-R402 PolarHBondContact OG-N 3.36Å; S400-D403 WeakPolarHBondContact CB-OD2 3.4Å; S400-D403 PolarHBondContact O-N 3.34Å; S400-D403 PolarHBondContact OG-N 2.98Å; S400-D403 VanDerWaalsContact OG-N 3.13Å; S400-D403 PolarHBondContact OG-OD2 2.71Å; S400-R404 PolarHBondContact O-N 3Å | ||
| 401 | E | 82.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.5 | -31.8 | 176.7 | 178.9 | 57.1 | -161.3 | 0 | 0 | 111.5 | R404 R405 | E401-R404 PolarHBondContact O-N 2.66Å; E401-R404 IonicContact OE1-CZ 3.59Å; E401-R404 IonicContact OE1-NE 2.85Å; E401-R404 PolarHBondContact OE1-NE 3.49Å; E401-R404 IonicContact OE1-NH2 2.67Å; E401-R404 PolarHBondContact OE1-NH2 3.22Å; E401-R404 IonicContact OE2-CZ 2.66Å; E401-R404 IonicContact OE2-NE 3.97Å; E401-R404 PolarHBondContact OE2-NE 2.65Å; E401-R404 IonicContact OE2-NH2 2.69Å; E401-R405 WeakPolarHBondContact O-CB 3.3Å; E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 3.03Å; E401-R405 IonicContact OE1-CZ 2.83Å; E401-R405 IonicContact OE1-NE 3.16Å; E401-R405 PolarHBondContact OE1-NE 3.1Å; E401-R405 IonicContact OE1-NH2 3.93Å |
| 402 | R | 83.7 | Confident | 86.5 | Confident | 204 Ų | 204 | 67.2 Ų | 67.2 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 173 | -177.5 | -178.1 | 178.9 | -177.7 | -0.7 | 111.5 | S400 R405 E406 | S400-R402 PolarHBondContact O-N 3.26Å; S400-R402 PolarHBondContact OG-N 3.36Å; R402-R405 PolarHBondContact O-N 3.5Å; R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 PolarHBondContact O-N 3.38Å |
| 403 | D | 86 | Confident | 86.8 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.5 | -31.9 | -177.3 | -60.9 | -24.7 | 0 | 0 | 0 | 111.4 | I398 S400 T407 | I398-D403 HydrophobicContact CG2-CB 3.51Å; S400-D403 WeakPolarHBondContact CB-OD2 3.4Å; S400-D403 PolarHBondContact O-N 3.34Å; S400-D403 PolarHBondContact OG-N 2.98Å; S400-D403 VanDerWaalsContact OG-N 3.13Å; S400-D403 PolarHBondContact OG-OD2 2.71Å; D403-T407 WeakPolarHBondContact O-CB 3.24Å; D403-T407 PolarHBondContact O-N 3.32Å; D403-T407 PolarHBondContact O-OG1 3.04Å |
| 404 | R | 88.9 | Confident | 87.1 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -51.3 | 171.8 | -173.7 | -159.1 | 69.8 | 80.8 | -3.5 | 110.5 | N392 R393 V395 I398 S400 E401 E406 T407 C408 | N392-R404 PolarHBondContact OD1-NH1 3.23Å; N392-R404 PolarHBondContact OD1-NH2 2.98Å; R393-R404 PolarHBondContact O-NH1 3.4Å; R393-R404 VanDerWaalsContact O-NH1 3.12Å; V395-R404 HydrophobicContact CB-CG 4.48Å; V395-R404 HydrophobicContact CG2-CG 4.07Å; I398-R404 HydrophobicContact CG2-CB 4.35Å; S400-R404 PolarHBondContact O-N 3Å; E401-R404 PolarHBondContact O-N 2.66Å; E401-R404 IonicContact OE1-CZ 3.59Å; E401-R404 IonicContact OE1-NE 2.85Å; E401-R404 PolarHBondContact OE1-NE 3.49Å; E401-R404 IonicContact OE1-NH2 2.67Å; E401-R404 PolarHBondContact OE1-NH2 3.22Å; E401-R404 IonicContact OE2-CZ 2.66Å; E401-R404 IonicContact OE2-NE 3.97Å; E401-R404 PolarHBondContact OE2-NE 2.65Å; E401-R404 IonicContact OE2-NH2 2.69Å; R404-E406 VanDerWaalsContact C-N 3.3Å; R404-E406 PolarHBondContact O-N 3.04Å; R404-T407 PolarHBondContact O-N 2.94Å; R404-T407 VanDerWaalsContact O-N 3.15Å; R404-C408 PolarHBondContact O-N 3.14Å; R404-C408 PolarHBondContact O-SG 3.15Å; R404-C408 VanDerWaalsContact O-SG 3.4Å |
| 405 | R | 87.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 178.2 | -70.5 | 178.1 | -177.2 | -167.3 | -4.3 | 111.3 | I350 H353 E401 R402 T407 C408 K409 | I350-R405 HydrophobicContact CG2-CB 4.12Å; I350-R405 HydrophobicContact CG2-CG 3.56Å; H353-R405 PolarHBondContact O-NH2 2.68Å; H353-R405 VanDerWaalsContact O-NH2 3.13Å; E401-R405 WeakPolarHBondContact O-CB 3.3Å; E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 3.03Å; E401-R405 IonicContact OE1-CZ 2.83Å; E401-R405 IonicContact OE1-NE 3.16Å; E401-R405 PolarHBondContact OE1-NE 3.1Å; E401-R405 IonicContact OE1-NH2 3.93Å; R402-R405 PolarHBondContact O-N 3.5Å; R405-T407 VanDerWaalsContact C-N 3.35Å; R405-T407 PolarHBondContact O-N 2.86Å; R405-C408 PolarHBondContact O-N 3.15Å; R405-K409 VanDerWaalsContact O-CB 3.27Å; R405-K409 WeakPolarHBondContact O-CB 3.24Å; R405-K409 PolarHBondContact O-N 2.89Å |
| 406 | E | 88.9 | Confident | 88.3 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.8 | -166.2 | 60.9 | -151 | 0 | 0 | 111.8 | R402 R404 K409 Q410 | R402-E406 WeakPolarHBondContact O-CB 3.47Å; R402-E406 PolarHBondContact O-N 3.38Å; R404-E406 VanDerWaalsContact C-N 3.3Å; R404-E406 PolarHBondContact O-N 3.04Å; E406-K409 VanDerWaalsContact CD-CE 3.49Å; E406-K409 WeakPolarHBondContact O-CB 3.15Å; E406-K409 PolarHBondContact O-N 2.92Å; E406-K409 WeakPolarHBondContact OE1-CE 3.38Å; E406-K409 IonicContact OE1-NZ 3.22Å; E406-K409 PolarHBondContact OE1-NZ 3.49Å; E406-K409 WeakPolarHBondContact OE2-CE 3.23Å; E406-K409 IonicContact OE2-NZ 2.88Å; E406-K409 PolarHBondContact OE2-NZ 3.3Å; E406-Q410 WeakPolarHBondContact O-CB 3.28Å; E406-Q410 PolarHBondContact O-N 3.36Å |
| 407 | T | 89.3 | Confident | 89 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | V395 I398 D403 R404 R405 Q410 R411 | V395-T407 HydrophobicContact CG1-CG2 4.09Å; V395-T407 HydrophobicContact CG2-CG2 4.19Å; I398-T407 HydrophobicContact CD1-CG2 4.38Å; I398-T407 VanDerWaalsContact CD1-OG1 3.26Å; I398-T407 WeakPolarHBondContact CD1-OG1 3.4Å; D403-T407 WeakPolarHBondContact O-CB 3.24Å; D403-T407 PolarHBondContact O-N 3.32Å; D403-T407 PolarHBondContact O-OG1 3.04Å; R404-T407 PolarHBondContact O-N 2.94Å; R404-T407 VanDerWaalsContact O-N 3.15Å; R405-T407 VanDerWaalsContact C-N 3.35Å; R405-T407 PolarHBondContact O-N 2.86Å; T407-Q410 PolarHBondContact O-N 2.96Å; T407-R411 WeakPolarHBondContact O-CG 3.2Å; T407-R411 PolarHBondContact O-N 2.87Å |
| 408 | C | 90.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.7 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | I350 F391 R393 R404 R405 R411 F412 | I350-C408 HydrophobicContact CD1-CB 4.02Å; F391-C408 WeakPolarHBondContact O-CB 3.18Å; F391-C408 PolarHBondContact O-SG 2.91Å; R393-C408 PolarHBondContact O-SG 3.34Å; R393-C408 VanDerWaalsContact O-SG 3.38Å; R404-C408 PolarHBondContact O-N 3.14Å; R404-C408 PolarHBondContact O-SG 3.15Å; R404-C408 VanDerWaalsContact O-SG 3.4Å; R405-C408 PolarHBondContact O-N 3.15Å; C408-R411 PolarHBondContact O-N 2.83Å; C408-F412 WeakPolarHBondContact O-CB 3.19Å; C408-F412 PolarHBondContact O-N 3.22Å |
| 409 | K | 91.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.5 | -175.5 | -179 | 79.3 | -166.4 | 0 | 111.1 | T343 E347 R405 E406 F412 R413 | T343-K409 HydrophobicContact CG2-CD 4.2Å; T343-K409 HydrophobicContact CG2-CG 3.58Å; E347-K409 HydrophobicContact CB-CD 3.94Å; E347-K409 VanDerWaalsContact CD-CD 3.46Å; E347-K409 HydrophobicContact CG-CD 3.93Å; E347-K409 WeakPolarHBondContact OE1-CD 3.38Å; E347-K409 IonicContact OE1-NZ 2.72Å; E347-K409 PolarHBondContact OE1-NZ 3.3Å; E347-K409 IonicContact OE2-NZ 2.69Å; R405-K409 VanDerWaalsContact O-CB 3.27Å; R405-K409 WeakPolarHBondContact O-CB 3.24Å; R405-K409 PolarHBondContact O-N 2.89Å; E406-K409 VanDerWaalsContact CD-CE 3.49Å; E406-K409 WeakPolarHBondContact O-CB 3.15Å; E406-K409 PolarHBondContact O-N 2.92Å; E406-K409 WeakPolarHBondContact OE1-CE 3.38Å; E406-K409 IonicContact OE1-NZ 3.22Å; E406-K409 PolarHBondContact OE1-NZ 3.49Å; E406-K409 WeakPolarHBondContact OE2-CE 3.23Å; E406-K409 IonicContact OE2-NZ 2.88Å; E406-K409 PolarHBondContact OE2-NZ 3.3Å; K409-F412 PolarHBondContact O-N 3.48Å; K409-R413 VanDerWaalsContact O-CB 3.31Å; K409-R413 WeakPolarHBondContact O-CB 3.35Å; K409-R413 PolarHBondContact O-N 2.81Å |
| 410 | Q | 93.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178.8 | -170.3 | 60.2 | 47.2 | 0 | 0 | 111.9 | E406 T407 F412 R413 D414 | E406-Q410 WeakPolarHBondContact O-CB 3.28Å; E406-Q410 PolarHBondContact O-N 3.36Å; T407-Q410 PolarHBondContact O-N 2.96Å; Q410-F412 VanDerWaalsContact C-N 3.33Å; Q410-F412 PolarHBondContact O-N 3.07Å; Q410-R413 WeakPolarHBondContact O-CB 3.45Å; Q410-R413 PolarHBondContact O-N 3.08Å; Q410-D414 PolarHBondContact NE2-OD1 2.9Å; Q410-D414 WeakPolarHBondContact O-CB 3.45Å; Q410-D414 PolarHBondContact O-N 3.22Å |
| 411 | R | 93 | Very high | 92.1 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.2 | -73.7 | 179.3 | -179.2 | -175.2 | 1.1 | 112.7 | F391 T407 C408 T415 | F391-R411 HydrophobicContact CD1-CB 4.27Å; T407-R411 WeakPolarHBondContact O-CG 3.2Å; T407-R411 PolarHBondContact O-N 2.87Å; C408-R411 PolarHBondContact O-N 2.83Å; R411-T415 PolarHBondContact O-N 2.66Å; R411-T415 VanDerWaalsContact O-N 3.07Å; R411-T415 PolarHBondContact O-OG1 2.86Å |
| 412 | F | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 175.1 | 176.5 | -116.9 | 0 | 0 | 0 | 111 | V342 F346 L367 V382 A387 F391 C408 K409 Q410 D414 T415 L416 | V342-F412 HydrophobicContact CG1-CE1 4.07Å; V342-F412 HydrophobicContact CG1-CZ 3.9Å; F346-F412 HydrophobicContact CB-CD1 3.54Å; F346-F412 HydrophobicContact CB-CE1 3.31Å; F346-F412 HydrophobicContact CB-CZ 4.18Å; F346-F412 HydrophobicContact CD1-CB 3.9Å; F346-F412 AromaticContact CD1-CD1 3.38Å; F346-F412 HydrophobicContact CD1-CD1 3.38Å; F346-F412 HydrophobicContact CD1-CE1 4.07Å; F346-F412 AromaticContact CD1-CG 3.78Å; F346-F412 HydrophobicContact CD1-CG 3.78Å; F346-F412 AromaticContact CD2-CD1 3.99Å; F346-F412 HydrophobicContact CD2-CD1 3.99Å; F346-F412 HydrophobicContact CD2-CE1 4Å; F346-F412 HydrophobicContact CD2-CG 4.24Å; F346-F412 HydrophobicContact CD2-CZ 4.26Å; F346-F412 HydrophobicContact CE1-CB 3.63Å; F346-F412 AromaticContact CE1-CD1 4Å; F346-F412 HydrophobicContact CE1-CD1 4Å; F346-F412 AromaticContact CE1-CG 3.89Å; F346-F412 HydrophobicContact CE1-CG 3.89Å; F346-F412 HydrophobicContact CE2-CG 4.36Å; F346-F412 AromaticContact CG-CD1 3.37Å; F346-F412 HydrophobicContact CG-CD1 3.37Å; F346-F412 AromaticContact CG-CE1 3.55Å; F346-F412 HydrophobicContact CG-CE1 3.55Å; F346-F412 AromaticContact CG-CG 3.94Å; F346-F412 HydrophobicContact CG-CG 3.94Å; F346-F412 HydrophobicContact CG-CZ 4.26Å; F346-F412 HydrophobicContact CZ-CB 4.12Å; F346-F412 HydrophobicContact CZ-CG 4.2Å; L367-F412 HydrophobicContact CD2-CD2 4.34Å; L367-F412 HydrophobicContact CD2-CE2 3.7Å; V382-F412 HydrophobicContact CG2-CE2 4.34Å; V382-F412 HydrophobicContact CG2-CZ 4.04Å; A387-F412 HydrophobicContact CB-CD2 4.17Å; A387-F412 HydrophobicContact CB-CE2 3.48Å; A387-F412 VanDerWaalsContact CB-CE2 3.48Å; A387-F412 HydrophobicContact CB-CZ 4.02Å; F391-F412 HydrophobicContact CB-CB 4.13Å; F391-F412 HydrophobicContact CD1-CB 4.2Å; F391-F412 HydrophobicContact CD2-CB 4.36Å; F391-F412 AromaticContact CD2-CD2 3.55Å; F391-F412 HydrophobicContact CD2-CD2 3.55Å; F391-F412 HydrophobicContact CD2-CE2 4.33Å; F391-F412 HydrophobicContact CD2-CG 4.39Å; F391-F412 AromaticContact CE2-CD2 3.85Å; F391-F412 HydrophobicContact CE2-CD2 3.85Å; F391-F412 HydrophobicContact CE2-CE2 4.48Å; F391-F412 HydrophobicContact CG-CB 3.96Å; F391-F412 HydrophobicContact CG-CD2 4.03Å; F391-F412 HydrophobicContact CG-CG 4.46Å; C408-F412 WeakPolarHBondContact O-CB 3.19Å; C408-F412 PolarHBondContact O-N 3.22Å; K409-F412 PolarHBondContact O-N 3.48Å; Q410-F412 VanDerWaalsContact C-N 3.33Å; Q410-F412 PolarHBondContact O-N 3.07Å; F412-D414 VanDerWaalsContact C-N 3.35Å; F412-D414 PolarHBondContact O-N 2.91Å; F412-T415 WeakPolarHBondContact O-CB 3.1Å; F412-T415 PolarHBondContact O-N 2.86Å; F412-T415 VanDerWaalsContact O-N 3.12Å; F412-L416 HydrophobicContact CD1-CD1 4.11Å; F412-L416 HydrophobicContact CD2-CG 4.48Å; F412-L416 HydrophobicContact CE1-CD1 3.56Å; F412-L416 HydrophobicContact CE1-CG 4.15Å; F412-L416 HydrophobicContact CE2-CD1 4.38Å; F412-L416 HydrophobicContact CE2-CD2 3.95Å; F412-L416 HydrophobicContact CE2-CG 4.12Å; F412-L416 HydrophobicContact CZ-CD1 3.74Å; F412-L416 HydrophobicContact CZ-CD2 3.88Å; F412-L416 HydrophobicContact CZ-CG 3.96Å; F412-L416 WeakPolarHBondContact O-CG 3.27Å; F412-L416 PolarHBondContact O-N 3.31Å |
| 413 | R | 96 | Very high | 93.2 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56 | -46.8 | 175.5 | -175.5 | -177.3 | -179.8 | 82.2 | 0.1 | 112 | V339 D340 T343 K409 Q410 T415 L416 I417 | V339-R413 HydrophobicContact CG1-CG 3.75Å; D340-R413 IonicContact OD1-CZ 3.66Å; D340-R413 IonicContact OD1-NH1 2.91Å; D340-R413 PolarHBondContact OD1-NH1 2.77Å; D340-R413 IonicContact OD1-NH2 2.94Å; D340-R413 PolarHBondContact OD1-NH2 2.91Å; T343-R413 HydrophobicContact CG2-CB 4.11Å; T343-R413 HydrophobicContact CG2-CG 4.47Å; K409-R413 VanDerWaalsContact O-CB 3.31Å; K409-R413 WeakPolarHBondContact O-CB 3.35Å; K409-R413 PolarHBondContact O-N 2.81Å; Q410-R413 WeakPolarHBondContact O-CB 3.45Å; Q410-R413 PolarHBondContact O-N 3.08Å; R413-T415 VanDerWaalsContact C-N 3.29Å; R413-T415 PolarHBondContact O-N 3.35Å; R413-L416 PolarHBondContact O-N 3.48Å; R413-I417 HydrophobicContact CG-CD1 4.25Å; R413-I417 WeakPolarHBondContact O-CG1 3.17Å; R413-I417 PolarHBondContact O-N 3.29Å |
| 414 | D | 95.6 | Very high | 93.6 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -38 | 178 | -65.7 | -20 | 0 | 0 | 0 | 111.3 | Q410 F412 I417 E418 | Q410-D414 PolarHBondContact NE2-OD1 2.9Å; Q410-D414 WeakPolarHBondContact O-CB 3.45Å; Q410-D414 PolarHBondContact O-N 3.22Å; F412-D414 VanDerWaalsContact C-N 3.35Å; F412-D414 PolarHBondContact O-N 2.91Å; D414-I417 PolarHBondContact O-N 3.3Å; D414-E418 PolarHBondContact O-N 2.91Å |
| 415 | T | 94.8 | Very high | 94 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 174.6 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | F391 R411 F412 R413 I417 E418 L419 | F391-T415 HydrophobicContact CE1-CG2 4.5Å; F391-T415 WeakPolarHBondContact CE1-OG1 3.25Å; F391-T415 HydrophobicContact CZ-CG2 3.79Å; F391-T415 WeakPolarHBondContact CZ-OG1 3.5Å; R411-T415 PolarHBondContact O-N 2.66Å; R411-T415 VanDerWaalsContact O-N 3.07Å; R411-T415 PolarHBondContact O-OG1 2.86Å; F412-T415 WeakPolarHBondContact O-CB 3.1Å; F412-T415 PolarHBondContact O-N 2.86Å; F412-T415 VanDerWaalsContact O-N 3.12Å; R413-T415 VanDerWaalsContact C-N 3.29Å; R413-T415 PolarHBondContact O-N 3.35Å; T415-I417 VanDerWaalsContact C-N 3.29Å; T415-I417 PolarHBondContact O-N 2.82Å; T415-E418 PolarHBondContact O-N 3.25Å; T415-L419 HydrophobicContact CG2-CD1 4.31Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 WeakPolarHBondContact O-CG 3.18Å; T415-L419 PolarHBondContact O-N 3.27Å |
| 416 | L | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 174.5 | -64.8 | -179.5 | 0 | 0 | 0 | 111.8 | V337 V339 V342 L367 V382 F412 R413 L419 N420 | V337-L416 HydrophobicContact CG2-CB 4.28Å; V337-L416 HydrophobicContact CG2-CD2 4.22Å; V339-L416 HydrophobicContact CG1-CB 4.3Å; V339-L416 HydrophobicContact CG2-CB 4.35Å; V342-L416 HydrophobicContact CB-CD1 3.94Å; V342-L416 HydrophobicContact CG1-CD1 3.76Å; V342-L416 HydrophobicContact CG1-CD2 4.42Å; L367-L416 HydrophobicContact CD2-CD2 4.2Å; V382-L416 HydrophobicContact CG1-CD2 3.75Å; V382-L416 HydrophobicContact CG2-CD2 4.17Å; F412-L416 HydrophobicContact CD1-CD1 4.11Å; F412-L416 HydrophobicContact CD2-CG 4.48Å; F412-L416 HydrophobicContact CE1-CD1 3.56Å; F412-L416 HydrophobicContact CE1-CG 4.15Å; F412-L416 HydrophobicContact CE2-CD1 4.38Å; F412-L416 HydrophobicContact CE2-CD2 3.95Å; F412-L416 HydrophobicContact CE2-CG 4.12Å; F412-L416 HydrophobicContact CZ-CD1 3.74Å; F412-L416 HydrophobicContact CZ-CD2 3.88Å; F412-L416 HydrophobicContact CZ-CG 3.96Å; F412-L416 WeakPolarHBondContact O-CG 3.27Å; F412-L416 PolarHBondContact O-N 3.31Å; R413-L416 PolarHBondContact O-N 3.48Å; L416-L419 PolarHBondContact O-N 3.38Å; L416-N420 WeakPolarHBondContact O-CB 3.43Å; L416-N420 PolarHBondContact O-N 2.79Å |
| 417 | I | 96.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.2 | -68.9 | 166.8 | 0 | 0 | 0 | 110.3 | V339 R413 D414 T415 N420 N421 | V339-I417 HydrophobicContact CG1-CG1 4.1Å; V339-I417 HydrophobicContact CG2-CG1 4.37Å; R413-I417 HydrophobicContact CG-CD1 4.25Å; R413-I417 WeakPolarHBondContact O-CG1 3.17Å; R413-I417 PolarHBondContact O-N 3.29Å; D414-I417 PolarHBondContact O-N 3.3Å; T415-I417 VanDerWaalsContact C-N 3.29Å; T415-I417 PolarHBondContact O-N 2.82Å; I417-N420 PolarHBondContact O-N 3.12Å; I417-N421 PolarHBondContact O-N 3.39Å; I417-N421 PolarHBondContact O-ND2 2.88Å |
| 418 | E | 95.6 | Very high | 94.6 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.6 | -179.7 | 54.5 | -154.8 | 0 | 0 | 112.2 | D414 T415 N420 N421 Q422 | D414-E418 PolarHBondContact O-N 2.91Å; T415-E418 PolarHBondContact O-N 3.25Å; E418-N420 VanDerWaalsContact C-N 3.34Å; E418-N420 PolarHBondContact O-N 3.37Å; E418-N421 WeakPolarHBondContact O-CB 3.49Å; E418-N421 PolarHBondContact O-N 3.11Å; E418-N421 VanDerWaalsContact O-N 3.14Å; E418-Q422 WeakPolarHBondContact O-CG 3.14Å; E418-Q422 PolarHBondContact O-N 3.24Å; E418-Q422 PolarHBondContact OE1-NE2 3.19Å |
| 419 | L | 96.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 174.2 | -72.4 | 176 | 0 | 0 | 0 | 111.7 | L367 I369 V382 T415 L416 N421 Q422 A423 | L367-L419 HydrophobicContact CB-CD1 4.31Å; L367-L419 HydrophobicContact CD2-CD1 4.04Å; L367-L419 HydrophobicContact CG-CD1 4.18Å; L367-L419 WeakPolarHBondContact O-CD2 3.29Å; I369-L419 HydrophobicContact CD1-CB 4.01Å; I369-L419 HydrophobicContact CG1-CB 3.99Å; I369-L419 HydrophobicContact CG1-CD1 4.47Å; V382-L419 HydrophobicContact CG1-CD1 4.48Å; T415-L419 HydrophobicContact CG2-CD1 4.31Å; T415-L419 HydrophobicContact CG2-CG 4.39Å; T415-L419 WeakPolarHBondContact O-CG 3.18Å; T415-L419 PolarHBondContact O-N 3.27Å; L416-L419 PolarHBondContact O-N 3.38Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 3.37Å; L419-Q422 PolarHBondContact O-N 3.13Å; L419-A423 PolarHBondContact O-N 2.72Å |
| 420 | N | 96.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 174.2 | -88.2 | -3.1 | 0 | 0 | 0 | 112.2 | Q336 V337 V339 L416 I417 E418 A424 | Q336-N420 VanDerWaalsContact CA-OD1 3.29Å; Q336-N420 WeakPolarHBondContact CA-OD1 3.29Å; Q336-N420 VanDerWaalsContact CB-OD1 3.26Å; Q336-N420 WeakPolarHBondContact CB-OD1 3.26Å; Q336-N420 HydrophobicContact CG-CB 3.96Å; Q336-N420 WeakPolarHBondContact CG-OD1 3.23Å; Q336-N420 PolarHBondContact NE2-O 2.78Å; V337-N420 VanDerWaalsContact CG2-OD1 3.26Å; V337-N420 WeakPolarHBondContact CG2-OD1 3.34Å; V337-N420 PolarHBondContact N-OD1 2.91Å; V337-N420 PolarHBondContact O-ND2 2.71Å; V339-N420 VanDerWaalsContact CG2-ND2 3.27Å; V339-N420 WeakPolarHBondContact CG2-ND2 3.49Å; L416-N420 WeakPolarHBondContact O-CB 3.43Å; L416-N420 PolarHBondContact O-N 2.79Å; I417-N420 PolarHBondContact O-N 3.12Å; E418-N420 VanDerWaalsContact C-N 3.34Å; E418-N420 PolarHBondContact O-N 3.37Å; N420-A424 WeakPolarHBondContact O-CB 3.12Å; N420-A424 PolarHBondContact O-N 3.04Å |
| 421 | N | 96.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 174.4 | -70.8 | -28.3 | 0 | 0 | 0 | 111.5 | I417 E418 L419 A424 R425 | I417-N421 PolarHBondContact O-N 3.39Å; I417-N421 PolarHBondContact O-ND2 2.88Å; E418-N421 WeakPolarHBondContact O-CB 3.49Å; E418-N421 PolarHBondContact O-N 3.11Å; E418-N421 VanDerWaalsContact O-N 3.14Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 3.37Å; N421-A424 PolarHBondContact O-N 3.36Å; N421-R425 WeakPolarHBondContact O-CG 3.31Å; N421-R425 PolarHBondContact O-N 3.06Å |
| 422 | Q | 95.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 175.5 | -71.2 | 174 | 16.5 | 0 | 0 | 111.6 | E418 L419 A424 R425 I426 | E418-Q422 WeakPolarHBondContact O-CG 3.14Å; E418-Q422 PolarHBondContact O-N 3.24Å; E418-Q422 PolarHBondContact OE1-NE2 3.19Å; L419-Q422 PolarHBondContact O-N 3.13Å; Q422-A424 VanDerWaalsContact C-N 3.28Å; Q422-A424 PolarHBondContact O-N 3.18Å; Q422-R425 PolarHBondContact O-N 2.84Å; Q422-R425 VanDerWaalsContact O-N 3.14Å; Q422-I426 WeakPolarHBondContact O-CG1 3.25Å; Q422-I426 PolarHBondContact O-N 3.24Å |
| 423 | A | 94.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F335 Q336 I369 L419 I426 C427 | F335-A423 HydrophobicContact CB-CB 4.36Å; Q336-A423 HydrophobicContact CG-CB 4.36Å; I369-A423 HydrophobicContact CD1-CB 3.95Å; L419-A423 PolarHBondContact O-N 2.72Å; A423-I426 PolarHBondContact O-N 3.05Å; A423-C427 WeakPolarHBondContact O-CB 3.42Å; A423-C427 PolarHBondContact O-N 3.45Å |
| 424 | A | 95.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 55 Ų | 55 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q332 N420 N421 Q422 C427 W428 | Q332-A424 HydrophobicContact CB-CB 3.93Å; Q332-A424 HydrophobicContact CG-CB 4.07Å; N420-A424 WeakPolarHBondContact O-CB 3.12Å; N420-A424 PolarHBondContact O-N 3.04Å; N421-A424 PolarHBondContact O-N 3.36Å; Q422-A424 VanDerWaalsContact C-N 3.28Å; Q422-A424 PolarHBondContact O-N 3.18Å; A424-C427 PolarHBondContact O-N 2.83Å; A424-W428 WeakPolarHBondContact O-CB 3.49Å; A424-W428 VanDerWaalsContact O-CD1 3.24Å; A424-W428 PolarHBondContact O-N 3.38Å |
| 425 | R | 95.3 | Very high | 93.7 | Very high | 154 Ų | 154 | 51.3 Ų | 51.3 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.2 | -49 | 175.6 | -74.8 | 174.7 | -171.2 | 166.2 | 7.7 | 111.4 | N421 Q422 C427 W428 D429 | N421-R425 WeakPolarHBondContact O-CG 3.31Å; N421-R425 PolarHBondContact O-N 3.06Å; Q422-R425 PolarHBondContact O-N 2.84Å; Q422-R425 VanDerWaalsContact O-N 3.14Å; R425-C427 VanDerWaalsContact C-N 3.31Å; R425-C427 PolarHBondContact O-N 2.63Å; R425-W428 PolarHBondContact O-N 3.15Å; R425-W428 VanDerWaalsContact O-N 3.12Å; R425-D429 PolarHBondContact O-N 3.38Å |
| 426 | I | 92.2 | Very high | 93.4 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 177.5 | -66 | 167.2 | 0 | 0 | 0 | 110.9 | Q422 A423 W428 D429 H430 | Q422-I426 WeakPolarHBondContact O-CG1 3.25Å; Q422-I426 PolarHBondContact O-N 3.24Å; A423-I426 PolarHBondContact O-N 3.05Å; I426-W428 VanDerWaalsContact C-N 3.35Å; I426-W428 PolarHBondContact O-N 2.93Å; I426-D429 PolarHBondContact O-N 3.22Å; I426-H430 PolarHBondContact O-N 2.9Å; I426-H430 VanDerWaalsContact O-N 3.09Å |
| 427 | C | 92.4 | Very high | 93 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | Q332 F335 A423 A424 R425 H430 L431 | Q332-C427 HydrophobicContact CB-CB 4.18Å; F335-C427 HydrophobicContact CD2-CB 4.4Å; A423-C427 WeakPolarHBondContact O-CB 3.42Å; A423-C427 PolarHBondContact O-N 3.45Å; A424-C427 PolarHBondContact O-N 2.83Å; R425-C427 VanDerWaalsContact C-N 3.31Å; R425-C427 PolarHBondContact O-N 2.63Å; C427-H430 WeakPolarHBondContact O-CB 3.36Å; C427-H430 PolarHBondContact O-N 2.64Å; C427-L431 WeakPolarHBondContact O-CG 3.47Å; C427-L431 PolarHBondContact O-N 3.16Å |
| 428 | W | 94 | Very high | 92.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 176.8 | -88.5 | 109.4 | 0 | 0 | 0 | 113.3 | L322 L326 P327 A424 R425 I426 H430 L431 H432 | L322-W428 HydrophobicContact CD2-CZ3 4.33Å; L326-W428 HydrophobicContact CB-CH2 4.22Å; L326-W428 HydrophobicContact CB-CZ3 4.44Å; P327-W428 HydrophobicContact CB-CH2 4.46Å; P327-W428 HydrophobicContact CB-CZ2 4.43Å; P327-W428 HydrophobicContact CG-CH2 3.78Å; P327-W428 HydrophobicContact CG-CZ2 4.18Å; A424-W428 WeakPolarHBondContact O-CB 3.49Å; A424-W428 VanDerWaalsContact O-CD1 3.24Å; A424-W428 PolarHBondContact O-N 3.38Å; R425-W428 PolarHBondContact O-N 3.15Å; R425-W428 VanDerWaalsContact O-N 3.12Å; I426-W428 VanDerWaalsContact C-N 3.35Å; I426-W428 PolarHBondContact O-N 2.93Å; W428-H430 VanDerWaalsContact C-N 3.32Å; W428-H430 PolarHBondContact O-N 3.38Å; W428-L431 HydrophobicContact CD2-CD1 4.32Å; W428-L431 HydrophobicContact CE3-CB 4.25Å; W428-L431 HydrophobicContact CE3-CD1 4.09Å; W428-L431 HydrophobicContact CZ3-CD1 4.24Å; W428-L431 PolarHBondContact O-N 3.5Å; W428-L431 VanDerWaalsContact O-N 3.13Å; W428-H432 PolarHBondContact O-CD2 3.39Å; W428-H432 PolarHBondContact O-N 3.12Å |
| 429 | D | 92.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.2 | -71 | -22.6 | 0 | 0 | 0 | 110.9 | R425 I426 L431 H432 V433 | R425-D429 PolarHBondContact O-N 3.38Å; I426-D429 PolarHBondContact O-N 3.22Å; D429-L431 PolarHBondContact O-N 3.1Å; D429-H432 PolarHBondContact O-N 2.98Å; D429-V433 WeakPolarHBondContact O-CG2 3.3Å; D429-V433 PolarHBondContact O-N 2.83Å; D429-V433 VanDerWaalsContact O-N 3.1Å |
| 430 | H | 89.9 | Confident | 91.9 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 173.3 | -68.9 | 166.9 | 0 | 0 | 0 | 112.5 | I426 C427 W428 V433 A434 | I426-H430 PolarHBondContact O-N 2.9Å; I426-H430 VanDerWaalsContact O-N 3.09Å; C427-H430 WeakPolarHBondContact O-CB 3.36Å; C427-H430 PolarHBondContact O-N 2.64Å; W428-H430 VanDerWaalsContact C-N 3.32Å; W428-H430 PolarHBondContact O-N 3.38Å; H430-V433 PolarHBondContact O-N 2.95Å; H430-A434 WeakPolarHBondContact O-CB 3.35Å; H430-A434 PolarHBondContact O-N 3.06Å |
| 431 | L | 91.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 177 | -69.8 | 174.3 | 0 | 0 | 0 | 112.4 | L267 L326 L331 C427 W428 D429 V433 A434 V435 | L267-L431 HydrophobicContact CD1-CD2 4.08Å; L267-L431 HydrophobicContact CD2-CD2 4.01Å; L326-L431 HydrophobicContact CD1-CB 4.41Å; L326-L431 HydrophobicContact CD1-CD2 4.49Å; L326-L431 HydrophobicContact CD2-CD2 4.48Å; L331-L431 HydrophobicContact CD1-CD1 4.46Å; L331-L431 HydrophobicContact CD1-CD2 3.89Å; C427-L431 WeakPolarHBondContact O-CG 3.47Å; C427-L431 PolarHBondContact O-N 3.16Å; W428-L431 HydrophobicContact CD2-CD1 4.32Å; W428-L431 HydrophobicContact CE3-CB 4.25Å; W428-L431 HydrophobicContact CE3-CD1 4.09Å; W428-L431 HydrophobicContact CZ3-CD1 4.24Å; W428-L431 PolarHBondContact O-N 3.5Å; W428-L431 VanDerWaalsContact O-N 3.13Å; D429-L431 PolarHBondContact O-N 3.1Å; L431-V433 VanDerWaalsContact C-N 3.33Å; L431-V433 PolarHBondContact O-N 2.97Å; L431-A434 PolarHBondContact O-N 2.89Å; L431-V435 WeakPolarHBondContact O-CG2 3.44Å; L431-V435 PolarHBondContact O-N 3.22Å |
| 432 | H | 92.1 | Very high | 91 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 174.4 | -78.7 | -63.5 | 0 | 0 | 0 | 112.3 | L322 W428 D429 S436 | L322-H432 WeakPolarHBondContact CD2-ND1 3.44Å; W428-H432 PolarHBondContact O-CD2 3.39Å; W428-H432 PolarHBondContact O-N 3.12Å; D429-H432 PolarHBondContact O-N 2.98Å; H432-S436 PolarHBondContact O-N 2.95Å; H432-S436 PolarHBondContact O-OG 2.71Å |
| 433 | V | 88.9 | Confident | 90.5 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | D429 H430 L431 V435 S436 A437 K516 | D429-V433 WeakPolarHBondContact O-CG2 3.3Å; D429-V433 PolarHBondContact O-N 2.83Å; D429-V433 VanDerWaalsContact O-N 3.1Å; H430-V433 PolarHBondContact O-N 2.95Å; L431-V433 VanDerWaalsContact C-N 3.33Å; L431-V433 PolarHBondContact O-N 2.97Å; V433-V435 PolarHBondContact O-N 3.34Å; V433-S436 WeakPolarHBondContact O-CB 3.38Å; V433-S436 PolarHBondContact O-N 3.45Å; V433-S436 VanDerWaalsContact O-N 3.13Å; V433-A437 PolarHBondContact O-N 2.78Å; V433-K516 HydrophobicContact CG1-CD 4.18Å; V433-K516 HydrophobicContact CG1-CG 3.84Å |
| 434 | A | 89.3 | Confident | 90 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H430 L431 S436 A437 L438 A515 | H430-A434 WeakPolarHBondContact O-CB 3.35Å; H430-A434 PolarHBondContact O-N 3.06Å; L431-A434 PolarHBondContact O-N 2.89Å; A434-S436 VanDerWaalsContact C-N 3.29Å; A434-S436 PolarHBondContact O-N 3.05Å; A434-A437 WeakPolarHBondContact O-CB 3.45Å; A434-A437 PolarHBondContact O-N 3.47Å; A434-A437 VanDerWaalsContact O-N 3.15Å; A434-L438 VanDerWaalsContact O-CG 3.31Å; A434-L438 WeakPolarHBondContact O-CG 3.42Å; A434-L438 PolarHBondContact O-N 2.97Å; A434-A515 HydrophobicContact CB-CB 4.17Å |
| 435 | V | 91.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | R318 L321 L322 L326 L431 V433 A437 L438 I439 | R318-V435 HydrophobicContact CB-CG1 4.4Å; R318-V435 HydrophobicContact CG-CG1 3.9Å; L321-V435 HydrophobicContact CB-CG2 4.27Å; L321-V435 HydrophobicContact CD1-CG1 4.36Å; L322-V435 HydrophobicContact CD1-CG1 4.4Å; L322-V435 HydrophobicContact CD2-CB 4.23Å; L322-V435 HydrophobicContact CD2-CG1 4.48Å; L322-V435 HydrophobicContact CD2-CG2 3.77Å; L322-V435 HydrophobicContact CG-CG1 4.22Å; L322-V435 HydrophobicContact CG-CG2 4.21Å; L326-V435 HydrophobicContact CD1-CG2 3.52Å; L431-V435 WeakPolarHBondContact O-CG2 3.44Å; L431-V435 PolarHBondContact O-N 3.22Å; V433-V435 PolarHBondContact O-N 3.34Å; V435-A437 VanDerWaalsContact C-N 3.32Å; V435-A437 PolarHBondContact O-N 3.01Å; V435-L438 PolarHBondContact O-N 3.21Å; V435-I439 HydrophobicContact CG1-CG1 4.09Å; V435-I439 WeakPolarHBondContact O-CB 3.5Å; V435-I439 WeakPolarHBondContact O-CG1 3.34Å; V435-I439 PolarHBondContact O-N 2.97Å |
| 436 | S | 89.6 | Confident | 88.7 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 176.8 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | H432 V433 A434 I439 G440 | H432-S436 PolarHBondContact O-N 2.95Å; H432-S436 PolarHBondContact O-OG 2.71Å; V433-S436 WeakPolarHBondContact O-CB 3.38Å; V433-S436 PolarHBondContact O-N 3.45Å; V433-S436 VanDerWaalsContact O-N 3.13Å; A434-S436 VanDerWaalsContact C-N 3.29Å; A434-S436 PolarHBondContact O-N 3.05Å; S436-I439 PolarHBondContact O-N 3.08Å; S436-G440 PolarHBondContact O-N 2.98Å |
| 437 | A | 87.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V433 A434 V435 I439 G440 H441 | V433-A437 PolarHBondContact O-N 2.78Å; A434-A437 WeakPolarHBondContact O-CB 3.45Å; A434-A437 PolarHBondContact O-N 3.47Å; A434-A437 VanDerWaalsContact O-N 3.15Å; V435-A437 VanDerWaalsContact C-N 3.32Å; V435-A437 PolarHBondContact O-N 3.01Å; A437-I439 VanDerWaalsContact C-N 3.31Å; A437-I439 PolarHBondContact O-N 3.3Å; A437-G440 WeakPolarHBondContact O-CA 3.49Å; A437-G440 PolarHBondContact O-N 3.11Å; A437-G440 VanDerWaalsContact O-N 3.11Å; A437-H441 PolarHBondContact O-N 3.04Å |
| 438 | L | 89.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.4 | -68.7 | 171 | 0 | 0 | 0 | 112 | L271 A434 V435 G440 H441 V442 L464 P465 Y467 | L271-L438 HydrophobicContact CD1-CD1 3.63Å; L271-L438 HydrophobicContact CD1-CD2 4.34Å; L271-L438 HydrophobicContact CD2-CD1 4.11Å; A434-L438 VanDerWaalsContact O-CG 3.31Å; A434-L438 WeakPolarHBondContact O-CG 3.42Å; A434-L438 PolarHBondContact O-N 2.97Å; V435-L438 PolarHBondContact O-N 3.21Å; L438-G440 VanDerWaalsContact C-N 3.34Å; L438-H441 WeakPolarHBondContact O-CB 3.41Å; L438-H441 PolarHBondContact O-N 3.29Å; L438-V442 WeakPolarHBondContact O-CG2 3.46Å; L438-V442 PolarHBondContact O-N 3.17Å; L438-L464 HydrophobicContact CB-CD2 4.24Å; L438-L464 HydrophobicContact CD2-CD2 4.31Å; L438-P465 HydrophobicContact CD2-CG 4.03Å; L438-Y467 HydrophobicContact CD2-CE2 4.34Å |
| 439 | I | 89.4 | Confident | 86.2 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.4 | -70.9 | -57.7 | 0 | 0 | 0 | 111.2 | V314 L317 R318 V435 S436 A437 H441 S443 | V314-I439 HydrophobicContact CG1-CD1 4.19Å; V314-I439 HydrophobicContact CG1-CG2 3.42Å; V314-I439 VanDerWaalsContact CG1-CG2 3.42Å; V314-I439 WeakPolarHBondContact O-CD1 3.46Å; L317-I439 HydrophobicContact CB-CD1 4.08Å; L317-I439 HydrophobicContact CD2-CD1 3.87Å; L317-I439 HydrophobicContact CG-CD1 3.9Å; R318-I439 HydrophobicContact CB-CD1 3.97Å; R318-I439 HydrophobicContact CB-CG1 4.06Å; V435-I439 HydrophobicContact CG1-CG1 4.09Å; V435-I439 WeakPolarHBondContact O-CB 3.5Å; V435-I439 WeakPolarHBondContact O-CG1 3.34Å; V435-I439 PolarHBondContact O-N 2.97Å; S436-I439 PolarHBondContact O-N 3.08Å; A437-I439 VanDerWaalsContact C-N 3.31Å; A437-I439 PolarHBondContact O-N 3.3Å; I439-H441 VanDerWaalsContact C-N 3.33Å; I439-S443 WeakPolarHBondContact O-CB 3.38Å; I439-S443 PolarHBondContact O-N 3.37Å |
| 440 | G | 86.1 | Confident | 84.9 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | S436 A437 L438 S443 Y444 | S436-G440 PolarHBondContact O-N 2.98Å; A437-G440 WeakPolarHBondContact O-CA 3.49Å; A437-G440 PolarHBondContact O-N 3.11Å; A437-G440 VanDerWaalsContact O-N 3.11Å; L438-G440 VanDerWaalsContact C-N 3.34Å; G440-S443 PolarHBondContact O-N 2.92Å; G440-Y444 PolarHBondContact O-N 2.91Å |
| 441 | H | 87.2 | Confident | 84.1 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 178.2 | -177.2 | 95.8 | 0 | 0 | 0 | 112.7 | A437 L438 I439 S443 Y444 Q445 | A437-H441 PolarHBondContact O-N 3.04Å; L438-H441 WeakPolarHBondContact O-CB 3.41Å; L438-H441 PolarHBondContact O-N 3.29Å; I439-H441 VanDerWaalsContact C-N 3.33Å; H441-S443 VanDerWaalsContact C-N 3.32Å; H441-S443 PolarHBondContact O-N 3.17Å; H441-Y444 PolarHBondContact O-N 3.47Å; H441-Q445 PolarHBondContact CE1-NE2 3.36Å; H441-Q445 PolarHBondContact NE2-NE2 3.48Å; H441-Q445 VanDerWaalsContact NE2-NE2 3.16Å; H441-Q445 PolarHBondContact NE2-OE1 3.48Å; H441-Q445 PolarHBondContact O-N 2.94Å |
| 442 | V | 86.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | F302 L317 L438 Y444 Q445 R446 L463 L464 | F302-V442 HydrophobicContact CE2-CG1 4.32Å; F302-V442 HydrophobicContact CZ-CG1 4.32Å; L317-V442 HydrophobicContact CD2-CB 4.27Å; L317-V442 HydrophobicContact CD2-CG1 4.06Å; L317-V442 HydrophobicContact CD2-CG2 3.95Å; L438-V442 WeakPolarHBondContact O-CG2 3.46Å; L438-V442 PolarHBondContact O-N 3.17Å; V442-Y444 VanDerWaalsContact C-N 3.34Å; V442-Y444 PolarHBondContact O-N 3.43Å; V442-Q445 PolarHBondContact O-N 3.26Å; V442-R446 HydrophobicContact CG1-CG 4.21Å; V442-R446 VanDerWaalsContact O-CB 3.3Å; V442-R446 WeakPolarHBondContact O-CB 3.38Å; V442-R446 PolarHBondContact O-N 3.4Å; V442-L463 HydrophobicContact CG1-CD1 4.03Å; V442-L463 HydrophobicContact CG2-CD1 4.12Å; V442-L463 WeakPolarHBondContact CG2-O 3.42Å; V442-L464 HydrophobicContact CG2-CD2 3.75Å |
| 443 | S | 85.5 | Confident | 82.5 | Confident | 26 Ų | 26 | 41.6 Ų | 41.6 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -58.9 | -46.5 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 111 | I439 G440 H441 V447 Q448 | I439-S443 WeakPolarHBondContact O-CB 3.38Å; I439-S443 PolarHBondContact O-N 3.37Å; G440-S443 PolarHBondContact O-N 2.92Å; H441-S443 VanDerWaalsContact C-N 3.32Å; H441-S443 PolarHBondContact O-N 3.17Å; S443-V447 CarbonylContact O-C 3.52Å; S443-V447 WeakPolarHBondContact O-CA 3.41Å; S443-V447 VanDerWaalsContact O-CB 3.28Å; S443-V447 WeakPolarHBondContact O-CB 3.24Å; S443-V447 PolarHBondContact O-N 3.01Å; S443-Q448 PolarHBondContact O-N 3.14Å |
| 444 | Y | 83.1 | Confident | 81.9 | Confident | 111 Ų | 111 | 41.8 Ų | 41.8 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -61.6 | -58 | 175.3 | 176.1 | -107.3 | 0 | 0 | 0 | 111.6 | G440 H441 V442 R446 G451 | G440-Y444 PolarHBondContact O-N 2.91Å; H441-Y444 PolarHBondContact O-N 3.47Å; V442-Y444 VanDerWaalsContact C-N 3.34Å; V442-Y444 PolarHBondContact O-N 3.43Å; Y444-R446 VanDerWaalsContact C-N 3.3Å; Y444-R446 PolarHBondContact O-N 3.46Å; Y444-G451 WeakPolarHBondContact O-CA 3.21Å |
| 445 | Q | 83.1 | Confident | 81 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -64.8 | -30 | -172 | -75.9 | -160.8 | -9.4 | 0 | 0 | 114.6 | H441 V442 P452 K453 Y454 | H441-Q445 PolarHBondContact CE1-NE2 3.36Å; H441-Q445 PolarHBondContact NE2-NE2 3.48Å; H441-Q445 VanDerWaalsContact NE2-NE2 3.16Å; H441-Q445 PolarHBondContact NE2-OE1 3.48Å; H441-Q445 PolarHBondContact O-N 2.94Å; V442-Q445 PolarHBondContact O-N 3.26Å; Q445-P452 HydrophobicContact CB-CG 4.28Å; Q445-P452 HydrophobicContact CG-CG 4.21Å; Q445-K453 WeakPolarHBondContact O-CA 3.24Å; Q445-K453 PolarHBondContact O-N 3.26Å; Q445-Y454 HydrophobicContact CB-CD2 4.39Å; Q445-Y454 PolarHBondContact O-N 3.47Å; Q445-Y454 VanDerWaalsContact O-N 3.12Å |
| 446 | R | 80.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -119.4 | -26.1 | -166.8 | -50.4 | -65 | -179.1 | 153.6 | 0.6 | 113.8 | V442 Y444 Y454 D456 H461 P462 | V442-R446 HydrophobicContact CG1-CG 4.21Å; V442-R446 VanDerWaalsContact O-CB 3.3Å; V442-R446 WeakPolarHBondContact O-CB 3.38Å; V442-R446 PolarHBondContact O-N 3.4Å; Y444-R446 VanDerWaalsContact C-N 3.3Å; Y444-R446 PolarHBondContact O-N 3.46Å; R446-Y454 WeakPolarHBondContact CD-O 3.41Å; R446-Y454 VanDerWaalsContact CZ-CB 3.43Å; R446-Y454 PolarHBondContact NH1-O 3.4Å; R446-D456 PolarHBondContact NH1-O 2.65Å; R446-D456 PolarHBondContact NH2-O 3.09Å; R446-H461 PolarHBondContact NH2-O 3.21Å; R446-P462 PolarHBondContact NH2-O 3.38Å |
| 447 | V | 78.7 | Confident | 79.2 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -114.8 | -53 | -167.3 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | F302 R310 V314 S443 | F302-V447 HydrophobicContact CD1-CG2 4.28Å; R310-V447 HydrophobicContact CB-CG1 3.97Å; R310-V447 HydrophobicContact CG-CG1 4.42Å; V314-V447 HydrophobicContact CG2-CG2 4.05Å; S443-V447 CarbonylContact O-C 3.52Å; S443-V447 WeakPolarHBondContact O-CA 3.41Å; S443-V447 VanDerWaalsContact O-CB 3.28Å; S443-V447 WeakPolarHBondContact O-CB 3.24Å; S443-V447 PolarHBondContact O-N 3.01Å |
| 448 | Q | 75 | Confident | 78.4 | Confident | 85 Ų | 85 | 44.6 Ų | 44.6 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -64.2 | 150.9 | -172.9 | -73.2 | 179.3 | -13 | 0 | 0 | 111.9 | S443 C450 G451 K453 | S443-Q448 PolarHBondContact O-N 3.14Å; Q448-C450 VanDerWaalsContact C-N 3.34Å; Q448-C450 PolarHBondContact O-N 2.82Å; Q448-G451 PolarHBondContact O-N 3.35Å; Q448-K453 VanDerWaalsContact O-CE 3.29Å; Q448-K453 WeakPolarHBondContact O-CE 3.45Å |
| 449 | D | 70.6 | Confident | 77.5 | Confident | 112 Ų | 112 | 50.5 Ų | 50.5 | 60% | 0.599 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.6 | -175.2 | -80.4 | -48.5 | 0 | 0 | 0 | 114.4 | R303 K453 | R303-D449 IonicContact NH2-OD1 3.57Å; R303-D449 PolarHBondContact NH2-OD1 3.13Å; R303-D449 VanDerWaalsContact NH2-OD1 3.12Å; D449-K453 VanDerWaalsContact CA-CE 3.41Å; D449-K453 WeakPolarHBondContact O-CE 3.48Å; D449-K453 PolarHBondContact O-NZ 3Å; D449-K453 WeakPolarHBondContact OD1-CE 3.24Å; D449-K453 IonicContact OD1-NZ 3.84Å; D449-K453 PolarHBondContact OD1-NZ 3.23Å |
| 450 | C | 66.8 | Low | 76.6 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 66% | 0.655 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.5 | 175.2 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | Q448 | Q448-C450 VanDerWaalsContact C-N 3.34Å; Q448-C450 PolarHBondContact O-N 2.82Å |
| 451 | G | 72.3 | Confident | 76.3 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -89.7 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y444 Q448 K453 | Y444-G451 WeakPolarHBondContact O-CA 3.21Å; Q448-G451 PolarHBondContact O-N 3.35Å; G451-K453 WeakPolarHBondContact O-CG 3.16Å; G451-K453 PolarHBondContact O-N 3.26Å |
| 452 | P | 74.7 | Confident | 76.2 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | trans | -66.2 | -17.3 | -174 | 23.3 | -34.6 | 0 | 0 | 0 | 115.2 | Q445 Y454 | Q445-P452 HydrophobicContact CB-CG 4.28Å; Q445-P452 HydrophobicContact CG-CG 4.21Å; P452-Y454 VanDerWaalsContact C-N 3.28Å; P452-Y454 HydrophobicContact CB-CD1 4.21Å; P452-Y454 HydrophobicContact CB-CD2 3.9Å; P452-Y454 HydrophobicContact CB-CE1 3.83Å; P452-Y454 HydrophobicContact CB-CE2 3.51Å; P452-Y454 HydrophobicContact CB-CG 4.22Å; P452-Y454 VanDerWaalsContact CB-CZ 3.46Å; P452-Y454 HydrophobicContact CG-CD2 3.65Å; P452-Y454 HydrophobicContact CG-CE2 3.33Å; P452-Y454 HydrophobicContact CG-CG 4.39Å; P452-Y454 PolarHBondContact O-N 3.3Å | ||
| 453 | K | 76 | Confident | 76.1 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | trans | 55.9 | 39.5 | 178.1 | -63 | 159.9 | -172.4 | -175.4 | 0 | 113.1 | R303 Q445 Q448 D449 G451 T455 | R303-K453 VanDerWaalsContact NH2-CD 3.27Å; Q445-K453 WeakPolarHBondContact O-CA 3.24Å; Q445-K453 PolarHBondContact O-N 3.26Å; Q448-K453 VanDerWaalsContact O-CE 3.29Å; Q448-K453 WeakPolarHBondContact O-CE 3.45Å; D449-K453 VanDerWaalsContact CA-CE 3.41Å; D449-K453 WeakPolarHBondContact O-CE 3.48Å; D449-K453 PolarHBondContact O-NZ 3Å; D449-K453 WeakPolarHBondContact OD1-CE 3.24Å; D449-K453 IonicContact OD1-NZ 3.84Å; D449-K453 PolarHBondContact OD1-NZ 3.23Å; G451-K453 WeakPolarHBondContact O-CG 3.16Å; G451-K453 PolarHBondContact O-N 3.26Å; K453-T455 PolarHBondContact O-N 2.9Å | ||
| 454 | Y | 77 | Confident | 76.4 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | trans | -55.8 | 131.2 | 177 | -63.1 | -52.9 | 0 | 0 | 0 | 110.1 | Q445 R446 P452 H461 K705 | Q445-Y454 HydrophobicContact CB-CD2 4.39Å; Q445-Y454 PolarHBondContact O-N 3.47Å; Q445-Y454 VanDerWaalsContact O-N 3.12Å; R446-Y454 WeakPolarHBondContact CD-O 3.41Å; R446-Y454 VanDerWaalsContact CZ-CB 3.43Å; R446-Y454 PolarHBondContact NH1-O 3.4Å; P452-Y454 VanDerWaalsContact C-N 3.28Å; P452-Y454 HydrophobicContact CB-CD1 4.21Å; P452-Y454 HydrophobicContact CB-CD2 3.9Å; P452-Y454 HydrophobicContact CB-CE1 3.83Å; P452-Y454 HydrophobicContact CB-CE2 3.51Å; P452-Y454 HydrophobicContact CB-CG 4.22Å; P452-Y454 VanDerWaalsContact CB-CZ 3.46Å; P452-Y454 HydrophobicContact CG-CD2 3.65Å; P452-Y454 HydrophobicContact CG-CE2 3.33Å; P452-Y454 HydrophobicContact CG-CG 4.39Å; P452-Y454 PolarHBondContact O-N 3.3Å; Y454-H461 AromaticContact CD1-CD2 3.73Å; Y454-H461 AromaticContact CD1-NE2 3.79Å; Y454-H461 AromaticContact CD2-CD2 3.97Å; Y454-H461 AromaticContact CE1-CD2 3.57Å; Y454-H461 AromaticContact CE1-NE2 3.38Å; Y454-H461 WeakPolarHBondContact CE1-NE2 3.28Å; Y454-H461 AromaticContact CE2-CD2 3.8Å; Y454-H461 HydrophobicContact CG-CB 4.38Å; Y454-H461 AromaticContact CG-CD2 3.95Å; Y454-H461 AromaticContact CZ-CD2 3.61Å; Y454-H461 AromaticContact CZ-NE2 3.71Å; Y454-K705 PolarHBondContact OH-NZ 2.54Å | ||
| 455 | T | 70.8 | Confident | 76.6 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | trans | -101 | -28.6 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | L298 K453 | L298-T455 WeakPolarHBondContact CD1-O 3.39Å; K453-T455 PolarHBondContact O-N 2.9Å | ||
| 456 | D | 68.4 | Low | 76.9 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | trans | -83.1 | 146.7 | -176.4 | 60.6 | -47.4 | 0 | 0 | 0 | 113.5 | R446 T458 H461 | R446-D456 PolarHBondContact NH1-O 2.65Å; R446-D456 PolarHBondContact NH2-O 3.09Å; D456-T458 HydrophobicContact CB-CG2 4.18Å; D456-T458 PolarHBondContact OD2-OG1 3.16Å; D456-H461 IonicContact OD1-CG 3.39Å; D456-H461 IonicContact OD1-ND1 3.71Å; D456-H461 PolarHBondContact OD1-ND1 3.5Å; D456-H461 IonicContact OD2-CE1 3.78Å; D456-H461 IonicContact OD2-CG 2.82Å; D456-H461 IonicContact OD2-ND1 2.78Å; D456-H461 PolarHBondContact OD2-ND1 2.94Å | ||
| 457 | Y | 73.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | trans | -113.6 | 85.3 | 175.6 | -55.7 | -86.7 | 0 | 0 | 0 | 108.6 | P289 L298 F302 L463 | P289-Y457 WeakPolarHBondContact CB-OH 3.43Å; P289-Y457 WeakPolarHBondContact CG-OH 3.42Å; L298-Y457 HydrophobicContact CD2-CD2 4.05Å; L298-Y457 HydrophobicContact CD2-CE2 3.76Å; F302-Y457 WeakPolarHBondContact CD2-OH 3.49Å; Y457-L463 HydrophobicContact CD1-CB 4.23Å; Y457-L463 HydrophobicContact CE1-CD1 4.11Å | ||
| 458 | T | 72.5 | Confident | 78.2 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -119 | 173.5 | -176.1 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | D456 E460 H461 P462 | D456-T458 HydrophobicContact CB-CG2 4.18Å; D456-T458 PolarHBondContact OD2-OG1 3.16Å; T458-E460 PolarHBondContact O-N 3.24Å; T458-E460 PolarHBondContact OG1-N 2.92Å; T458-H461 PolarHBondContact N-O 3.19Å; T458-H461 CarbonylContact O-C 3.56Å; T458-H461 PolarHBondContact O-N 2.78Å; T458-H461 PolarHBondContact OG1-N 2.74Å; T458-P462 WeakPolarHBondContact O-CA 3.33Å |
| 459 | E | 68.9 | Low | 79 | Confident | 130 Ų | 130 | 51.6 Ų | 51.6 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -61.9 | -29.3 | 167.4 | -101.2 | 175.5 | -167.1 | 0 | 0 | 112.7 | W293 | W293-E459 HydrophobicContact CZ2-CG 3.95Š|
| 460 | E | 71.5 | Confident | 80 | Confident | 164 Ų | 164 | 47.4 Ų | 47.4 | 77% | 0.766 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -75.6 | -35.7 | 177.9 | -145 | 174.6 | -169.4 | 0 | 0 | 111.5 | T458 | T458-E460 PolarHBondContact O-N 3.24Å; T458-E460 PolarHBondContact OG1-N 2.92Å |
| 461 | H | 79.6 | Confident | 81 | Confident | 35 Ų | 35 | 47 Ų | 47 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -125.5 | 72.7 | 176.1 | -52.3 | 119 | 0 | 0 | 0 | 110.7 | R446 Y454 D456 T458 | R446-H461 PolarHBondContact NH2-O 3.21Å; Y454-H461 AromaticContact CD1-CD2 3.73Å; Y454-H461 AromaticContact CD1-NE2 3.79Å; Y454-H461 AromaticContact CD2-CD2 3.97Å; Y454-H461 AromaticContact CE1-CD2 3.57Å; Y454-H461 AromaticContact CE1-NE2 3.38Å; Y454-H461 WeakPolarHBondContact CE1-NE2 3.28Å; Y454-H461 AromaticContact CE2-CD2 3.8Å; Y454-H461 HydrophobicContact CG-CB 4.38Å; Y454-H461 AromaticContact CG-CD2 3.95Å; Y454-H461 AromaticContact CZ-CD2 3.61Å; Y454-H461 AromaticContact CZ-NE2 3.71Å; D456-H461 IonicContact OD1-CG 3.39Å; D456-H461 IonicContact OD1-ND1 3.71Å; D456-H461 PolarHBondContact OD1-ND1 3.5Å; D456-H461 IonicContact OD2-CE1 3.78Å; D456-H461 IonicContact OD2-CG 2.82Å; D456-H461 IonicContact OD2-ND1 2.78Å; D456-H461 PolarHBondContact OD2-ND1 2.94Å; T458-H461 PolarHBondContact N-O 3.19Å; T458-H461 CarbonylContact O-C 3.56Å; T458-H461 PolarHBondContact O-N 2.78Å; T458-H461 PolarHBondContact OG1-N 2.74Å |
| 462 | P | 84.7 | Confident | 81.7 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -66.8 | 161.1 | 178.6 | 29.6 | -35.1 | 0 | 0 | 0 | 110.9 | R446 T458 L464 | R446-P462 PolarHBondContact NH2-O 3.38Å; T458-P462 WeakPolarHBondContact O-CA 3.33Å; P462-L464 WeakPolarHBondContact CB-O 3.43Å; P462-L464 WeakPolarHBondContact CG-O 3.14Å | ||
| 463 | L | 86 | Confident | 82.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -66.7 | -47.6 | 174.9 | 173.5 | 63 | 0 | 0 | 0 | 110.6 | V278 F302 L317 V442 Y457 | V278-L463 HydrophobicContact CB-CD2 4.07Å; V278-L463 HydrophobicContact CG1-CD2 3.9Å; V278-L463 HydrophobicContact CG2-CD2 4.13Å; F302-L463 HydrophobicContact CE2-CD1 4.27Å; L317-L463 HydrophobicContact CD1-CD2 4.24Å; V442-L463 HydrophobicContact CG1-CD1 4.03Å; V442-L463 HydrophobicContact CG2-CD1 4.12Å; V442-L463 WeakPolarHBondContact CG2-O 3.42Å; Y457-L463 HydrophobicContact CD1-CB 4.23Å; Y457-L463 HydrophobicContact CE1-CD1 4.11Å |
| 464 | L | 90 | Very high | 82.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -111.2 | 143.9 | 176.3 | -57.1 | 177.9 | 0 | 0 | 0 | 109.3 | L271 F274 S275 L321 L438 V442 P462 | L271-L464 HydrophobicContact CB-CD1 3.91Å; L271-L464 HydrophobicContact CD2-CD1 3.78Å; L271-L464 HydrophobicContact CG-CD1 4.3Å; F274-L464 HydrophobicContact CD1-CD1 3.98Å; S275-L464 WeakPolarHBondContact OG-CB 3.44Å; S275-L464 PolarHBondContact OG-N 3.31Å; L321-L464 HydrophobicContact CD2-CD1 4.3Å; L438-L464 HydrophobicContact CB-CD2 4.24Å; L438-L464 HydrophobicContact CD2-CD2 4.31Å; V442-L464 HydrophobicContact CG2-CD2 3.75Å; P462-L464 WeakPolarHBondContact CB-O 3.43Å; P462-L464 WeakPolarHBondContact CG-O 3.14Å |
| 465 | P | 87.7 | Confident | 82.6 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | trans | -66.1 | 148.7 | -178.7 | 27.7 | -33.5 | 0 | 0 | 0 | 111.2 | L438 Y467 | L438-P465 HydrophobicContact CD2-CG 4.03Å; P465-Y467 HydrophobicContact CB-CE2 4.42Å; P465-Y467 HydrophobicContact CG-CE2 3.82Å | ||
| 466 | L | 90 | Very high | 83.6 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.335 | 27% | 0.266 | S | S | . | . | trans | -90.8 | 135.6 | 168.6 | -59.7 | 177 | 0 | 0 | 0 | 108.8 | D268 A272 L495 C519 | D268-L466 WeakPolarHBondContact OD1-CA 3.4Å; A272-L466 HydrophobicContact CB-CD2 3.68Å; L466-L495 WeakPolarHBondContact O-CD1 3.41Å; L466-C519 PolarHBondContact O-SG 3.01Å | ||
| 467 | Y | 92.6 | Very high | 84.7 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | trans | -106.5 | -16 | -180 | -66.6 | -83.9 | 0 | 0 | 0 | 112.9 | D268 L438 P465 L495 L517 C519 | D268-Y467 PolarHBondContact OD1-N 3.09Å; L438-Y467 HydrophobicContact CD2-CE2 4.34Å; P465-Y467 HydrophobicContact CB-CE2 4.42Å; P465-Y467 HydrophobicContact CG-CE2 3.82Å; Y467-L495 WeakPolarHBondContact O-CB 3.46Å; Y467-L495 PolarHBondContact O-N 3.31Å; Y467-L517 HydrophobicContact CD1-CB 4.47Å; Y467-L517 HydrophobicContact CD1-CD2 4.12Å; Y467-L517 HydrophobicContact CE1-CB 4.04Å; Y467-L517 HydrophobicContact CE1-CD2 4.44Å; Y467-L517 HydrophobicContact CE1-CG 4.49Å; Y467-L517 WeakPolarHBondContact CE1-O 3.42Å; Y467-L517 PolarHBondContact OH-O 3.34Å; Y467-C519 HydrophobicContact CD1-CB 3.98Å; Y467-C519 HydrophobicContact CE1-CB 3.94Å | ||
| 468 | F | 93.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.6 | 177.5 | -64.3 | -93.1 | 0 | 0 | 0 | 111.9 | L255 L261 A264 F265 D268 R269 Y470 I492 L493 A494 | L255-F468 HydrophobicContact CD2-CE1 4.03Å; L261-F468 HydrophobicContact CB-CE1 4.18Å; L261-F468 HydrophobicContact CB-CZ 4.08Å; L261-F468 HydrophobicContact CD1-CE1 4.43Å; A264-F468 HydrophobicContact CB-CE2 4.16Å; A264-F468 HydrophobicContact CB-CZ 4.16Å; F265-F468 HydrophobicContact CB-CD2 4.27Å; F265-F468 HydrophobicContact CB-CE1 4.4Å; F265-F468 HydrophobicContact CB-CE2 4.04Å; F265-F468 HydrophobicContact CB-CZ 4.1Å; F265-F468 HydrophobicContact CD2-CB 4.15Å; F265-F468 HydrophobicContact CD2-CD1 4.43Å; F265-F468 HydrophobicContact CD2-CD2 4.17Å; F265-F468 AromaticContact CD2-CG 3.99Å; F265-F468 HydrophobicContact CD2-CG 3.99Å; D268-F468 HydrophobicContact CB-CD2 3.76Å; D268-F468 HydrophobicContact CB-CE2 4.18Å; R269-F468 PolarHBondContact NH2-O 3Å; F468-Y470 PolarHBondContact O-N 3.39Å; F468-I492 HydrophobicContact CB-CG2 4.13Å; F468-I492 HydrophobicContact CD1-CG2 4.13Å; F468-I492 HydrophobicContact CG-CG2 4.43Å; F468-L493 CarbonylContact C-O 3.54Å; F468-L493 WeakPolarHBondContact CA-O 3.46Å; F468-A494 HydrophobicContact CD1-CB 4.32Å; F468-A494 HydrophobicContact CE1-CB 4.12Å |
| 469 | L | 92.3 | Very high | 86.3 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 101.7 | 167.3 | -176.4 | 61.1 | 0 | 0 | 0 | 109.4 | K240 R471 L493 L495 V524 | K240-L469 HydrophobicContact CB-CD1 4.21Å; K240-L469 HydrophobicContact CB-CD2 3.83Å; K240-L469 HydrophobicContact CD-CD1 4.35Å; K240-L469 WeakPolarHBondContact O-CD2 3.08Å; L469-R471 HydrophobicContact CD1-CG 4.41Å; L469-R471 HydrophobicContact CG-CG 4.21Å; L469-L493 HydrophobicContact CB-CB 4.35Å; L469-L493 HydrophobicContact CD2-CD1 4.5Å; L469-L493 PolarHBondContact N-O 3.44Å; L469-L493 PolarHBondContact O-N 3.08Å; L469-L495 HydrophobicContact CB-CD2 4.08Å; L469-V524 HydrophobicContact CD2-CG2 3.92Å |
| 470 | Y | 91.4 | Very high | 87.4 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | trans | -111.6 | 113.5 | 174.9 | -177.3 | -112.6 | 0 | 0 | 0 | 108.8 | F265 F468 Q472 E480 V483 Y488 I492 | F265-Y470 HydrophobicContact CE2-CD2 4.32Å; F265-Y470 HydrophobicContact CZ-CD2 4.27Å; F265-Y470 HydrophobicContact CZ-CE2 4.46Å; F468-Y470 PolarHBondContact O-N 3.39Å; Y470-Q472 HydrophobicContact CE1-CB 3.81Å; Y470-Q472 HydrophobicContact CE2-CB 4.27Å; Y470-Q472 HydrophobicContact CE2-CG 4.22Å; Y470-Q472 PolarHBondContact OH-OE1 3.1Å; Y470-E480 HydrophobicContact CE1-CG 4.17Å; Y470-V483 HydrophobicContact CE2-CG1 4.38Å; Y470-Y488 HydrophobicContact CD2-CE1 4.12Å; Y470-Y488 HydrophobicContact CE2-CD1 4.42Å; Y470-Y488 AromaticContact CE2-CE1 3.9Å; Y470-Y488 HydrophobicContact CE2-CE1 3.9Å; Y470-I492 HydrophobicContact CD2-CD1 4.05Å; Y470-I492 HydrophobicContact CD2-CG1 4.1Å; Y470-I492 HydrophobicContact CE2-CD1 4.19Å | ||
| 471 | R | 86.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 50 Ų | 50 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | trans | -94.5 | 2.4 | -170.9 | -59.4 | -176.9 | 176.4 | 91.6 | -8.9 | 114.4 | K240 L469 Y488 | K240-R471 PolarHBondContact O-NH2 2.9Å; L469-R471 HydrophobicContact CD1-CG 4.41Å; L469-R471 HydrophobicContact CG-CG 4.21Å; R471-Y488 WeakPolarHBondContact CB-OH 3.48Å; R471-Y488 PolarHBondContact N-OH 3.07Å | ||
| 472 | Q | 87.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -88.2 | 159.5 | 173.2 | -53.2 | -165.1 | -3.7 | 0 | 0 | 110.6 | Y470 Y488 | Y470-Q472 HydrophobicContact CE1-CB 3.81Å; Y470-Q472 HydrophobicContact CE2-CB 4.27Å; Y470-Q472 HydrophobicContact CE2-CG 4.22Å; Y470-Q472 PolarHBondContact OH-OE1 3.1Å; Q472-Y488 HydrophobicContact CG-CD1 4.47Å; Q472-Y488 HydrophobicContact CG-CE1 3.73Å; Q472-Y488 HydrophobicContact CG-CE2 3.99Å; Q472-Y488 VanDerWaalsContact CG-CZ 3.45Å; Q472-Y488 WeakPolarHBondContact CG-OH 3.38Å; Q472-Y488 PolarHBondContact N-OH 3.19Å |
| 473 | D | 83.5 | Confident | 89.1 | Confident | 140 Ų | 140 | 50.6 Ų | 50.6 | 75% | 0.749 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 134.4 | 174.7 | -68.4 | -34.9 | 0 | 0 | 0 | 110.4 | T475 | D473-T475 PolarHBondContact O-N 2.9Š|
| 474 | P | 79 | Confident | 89.3 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 129.3 | -177.9 | 18.7 | -27 | 0 | 0 | 0 | 111.6 | E480 | P474-E480 WeakPolarHBondContact CA-OE1 3.32Š|
| 475 | T | 85 | Confident | 89.1 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | trans | -122.1 | -161.6 | 175.7 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | R276 D473 E480 | R276-T475 PolarHBondContact NH2-O 2.87Å; R276-T475 VanDerWaalsContact NH2-O 3.17Å; D473-T475 PolarHBondContact O-N 2.9Å; T475-E480 PolarHBondContact N-OE1 3.3Å; T475-E480 WeakPolarHBondContact OG1-CG 3.34Å | ||
| 476 | D | 90.5 | Very high | 89.3 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | trans | -72 | 136.3 | 170.9 | -176 | -94.8 | 0 | 0 | 0 | 109.5 | Q273 R478 K479 E480 | Q273-D476 PolarHBondContact NE2-OD2 2.97Å; Q273-D476 VanDerWaalsContact NE2-OD2 3.12Å; Q273-D476 PolarHBondContact OE1-OD2 2.89Å; D476-R478 PolarHBondContact O-N 2.85Å; D476-R478 VanDerWaalsContact OD1-CB 3.26Å; D476-R478 WeakPolarHBondContact OD1-CB 3.27Å; D476-R478 WeakPolarHBondContact OD1-CG 3.3Å; D476-R478 PolarHBondContact OD1-N 3.16Å; D476-R478 IonicContact OD1-NH1 2.86Å; D476-R478 IonicContact OD2-NH1 2.78Å; D476-K479 WeakPolarHBondContact O-CB 3.48Å; D476-K479 PolarHBondContact O-N 3.13Å; D476-E480 PolarHBondContact O-N 2.96Å | ||
| 477 | W | 92.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.7 | -26.3 | -174.6 | 70.5 | -100.7 | 0 | 0 | 0 | 113 | V266 R269 V270 A329 E480 E481 | V266-W477 HydrophobicContact CG1-CE3 4.09Å; V266-W477 HydrophobicContact CG1-CZ3 4.04Å; R269-W477 HydrophobicContact CB-CB 4.08Å; V270-W477 HydrophobicContact CG2-CB 4.23Å; V270-W477 HydrophobicContact CG2-CD2 3.55Å; V270-W477 HydrophobicContact CG2-CE3 3.79Å; V270-W477 HydrophobicContact CG2-CG 3.74Å; V270-W477 HydrophobicContact CG2-CZ3 4.38Å; A329-W477 HydrophobicContact CB-CH2 4.37Å; W477-E480 PolarHBondContact O-N 2.82Å; W477-E481 WeakPolarHBondContact CZ3-OE2 3.14Å; W477-E481 WeakPolarHBondContact O-CB 3.48Å; W477-E481 PolarHBondContact O-N 2.86Å |
| 478 | R | 90.9 | Very high | 89.2 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.1 | -33 | 176.3 | -62.2 | 178.9 | -178.9 | 79.7 | 0.2 | 112.6 | D476 | D476-R478 PolarHBondContact O-N 2.85Å; D476-R478 VanDerWaalsContact OD1-CB 3.26Å; D476-R478 WeakPolarHBondContact OD1-CB 3.27Å; D476-R478 WeakPolarHBondContact OD1-CG 3.3Å; D476-R478 PolarHBondContact OD1-N 3.16Å; D476-R478 IonicContact OD1-NH1 2.86Å; D476-R478 IonicContact OD2-NH1 2.78Å |
| 479 | K | 89.5 | Confident | 89.2 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.4 | -39 | 172.8 | -66.9 | -175.2 | 179.4 | -179.1 | 0 | 110.3 | D476 A482 | D476-K479 WeakPolarHBondContact O-CB 3.48Å; D476-K479 PolarHBondContact O-N 3.13Å; K479-A482 WeakPolarHBondContact O-CB 3.35Å; K479-A482 PolarHBondContact O-N 3.39Å |
| 480 | E | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 177.4 | -59.9 | 178.8 | 168.3 | 0 | 0 | 111.9 | R269 Y470 P474 T475 D476 W477 A482 V483 | R269-E480 WeakPolarHBondContact CB-OE2 3.3Å; R269-E480 WeakPolarHBondContact CD-OE2 3.35Å; R269-E480 HydrophobicContact CG-CB 4.17Å; R269-E480 WeakPolarHBondContact CG-OE2 3.33Å; Y470-E480 HydrophobicContact CE1-CG 4.17Å; P474-E480 WeakPolarHBondContact CA-OE1 3.32Å; T475-E480 PolarHBondContact N-OE1 3.3Å; T475-E480 WeakPolarHBondContact OG1-CG 3.34Å; D476-E480 PolarHBondContact O-N 2.96Å; W477-E480 PolarHBondContact O-N 2.82Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 2.81Å; E480-V483 VanDerWaalsContact O-CB 3.26Å; E480-V483 WeakPolarHBondContact O-CB 3.34Å; E480-V483 PolarHBondContact O-N 2.66Å |
| 481 | E | 92.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.5 | -45.1 | 171.3 | 177.1 | 175.4 | 175.2 | 0 | 0 | 111 | V266 M334 R377 W477 V483 M484 | V266-E481 HydrophobicContact CG2-CB 4.12Å; V266-E481 HydrophobicContact CG2-CG 3.73Å; M334-E481 WeakPolarHBondContact CE-OE1 3.26Å; R377-E481 IonicContact CZ-OE1 2.61Å; R377-E481 IonicContact CZ-OE2 2.81Å; R377-E481 IonicContact NE-OE1 3.82Å; R377-E481 PolarHBondContact NE-OE1 3.11Å; R377-E481 IonicContact NE-OE2 3.18Å; R377-E481 IonicContact NH2-OE1 2.8Å; R377-E481 PolarHBondContact NH2-OE1 2.9Å; R377-E481 VanDerWaalsContact NH2-OE1 3.16Å; R377-E481 IonicContact NH2-OE2 3.02Å; R377-E481 PolarHBondContact NH2-OE2 3.38Å; W477-E481 WeakPolarHBondContact CZ3-OE2 3.14Å; W477-E481 WeakPolarHBondContact O-CB 3.48Å; W477-E481 PolarHBondContact O-N 2.86Å; E481-V483 PolarHBondContact O-N 2.76Å; E481-V483 VanDerWaalsContact O-N 3.13Å; E481-M484 HydrophobicContact CG-CE 3.51Å; E481-M484 HydrophobicContact CG-SD 4.06Å; E481-M484 WeakPolarHBondContact O-CB 3.19Å; E481-M484 WeakPolarHBondContact O-CG 3.27Å; E481-M484 PolarHBondContact O-N 2.89Å |
| 482 | A | 89 | Confident | 89.6 | Confident | 60 Ų | 60 | 61 Ų | 61 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -27 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K479 E480 M484 H485 | K479-A482 WeakPolarHBondContact O-CB 3.35Å; K479-A482 PolarHBondContact O-N 3.39Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 2.81Å; A482-M484 PolarHBondContact O-N 2.98Å; A482-H485 PolarHBondContact O-N 2.89Å |
| 483 | V | 90.3 | Very high | 90 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -28.1 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | Y470 E480 E481 H485 T486 Y488 I492 | Y470-V483 HydrophobicContact CE2-CG1 4.38Å; E480-V483 VanDerWaalsContact O-CB 3.26Å; E480-V483 WeakPolarHBondContact O-CB 3.34Å; E480-V483 PolarHBondContact O-N 2.66Å; E481-V483 PolarHBondContact O-N 2.76Å; E481-V483 VanDerWaalsContact O-N 3.13Å; V483-H485 PolarHBondContact O-N 2.83Å; V483-H485 VanDerWaalsContact O-N 3.07Å; V483-T486 PolarHBondContact O-N 2.9Å; V483-T486 PolarHBondContact O-OG1 3.28Å; V483-Y488 HydrophobicContact CG1-CD1 3.53Å; V483-Y488 HydrophobicContact CG1-CE1 4.48Å; V483-Y488 HydrophobicContact CG1-CG 4.09Å; V483-I492 HydrophobicContact CG1-CD1 4.17Å |
| 484 | M | 89.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.3 | -178.9 | 84.3 | -165 | 168.4 | 0 | 0 | 113.9 | L255 R262 F265 V266 M334 E481 A482 A489 | L255-M484 HydrophobicContact CD1-CB 3.71Å; R262-M484 HydrophobicContact CB-SD 4.04Å; R262-M484 HydrophobicContact CG-CG 4.44Å; R262-M484 HydrophobicContact CG-SD 4.29Å; F265-M484 HydrophobicContact CD1-CB 4.15Å; F265-M484 HydrophobicContact CE1-CB 4.25Å; V266-M484 HydrophobicContact CG2-CE 4.3Å; V266-M484 HydrophobicContact CG2-SD 3.82Å; M334-M484 HydrophobicContact CE-CE 3.8Å; E481-M484 HydrophobicContact CG-CE 3.51Å; E481-M484 HydrophobicContact CG-SD 4.06Å; E481-M484 WeakPolarHBondContact O-CB 3.19Å; E481-M484 WeakPolarHBondContact O-CG 3.27Å; E481-M484 PolarHBondContact O-N 2.89Å; A482-M484 PolarHBondContact O-N 2.98Å; M484-A489 WeakPolarHBondContact O-CB 3.47Å |
| 485 | H | 86.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 14.1 | 176.6 | -60.1 | -51.4 | 0 | 0 | 0 | 113.3 | R262 A482 V483 | R262-H485 PolarHBondContact NH1-ND1 2.86Å; A482-H485 PolarHBondContact O-N 2.89Å; V483-H485 PolarHBondContact O-N 2.83Å; V483-H485 VanDerWaalsContact O-N 3.07Å |
| 486 | T | 90.8 | Very high | 91.5 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -109.3 | 168.6 | 176.7 | 71 | 0 | 0 | 0 | 0 | 111.2 | V483 Y488 A489 | V483-T486 PolarHBondContact O-N 2.9Å; V483-T486 PolarHBondContact O-OG1 3.28Å; T486-Y488 PolarHBondContact O-N 3.49Å; T486-Y488 PolarHBondContact OG1-N 3.44Å; T486-A489 WeakPolarHBondContact O-CB 3.26Å; T486-A489 PolarHBondContact O-N 2.87Å |
| 487 | D | 89 | Confident | 91.4 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 78% | 0.775 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -58.3 | -19.8 | 173.9 | -76.1 | -13.5 | 0 | 0 | 0 | 113.8 | A489 K490 | D487-A489 PolarHBondContact O-N 3.23Å; D487-K490 WeakPolarHBondContact O-CG 3.45Å |
| 488 | Y | 91.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -69.1 | -19.6 | 175.5 | -169.3 | -93.7 | 0 | 0 | 0 | 112.7 | Y470 R471 Q472 V483 T486 K490 N491 I492 | Y470-Y488 HydrophobicContact CD2-CE1 4.12Å; Y470-Y488 HydrophobicContact CE2-CD1 4.42Å; Y470-Y488 AromaticContact CE2-CE1 3.9Å; Y470-Y488 HydrophobicContact CE2-CE1 3.9Å; R471-Y488 WeakPolarHBondContact CB-OH 3.48Å; R471-Y488 PolarHBondContact N-OH 3.07Å; Q472-Y488 HydrophobicContact CG-CD1 4.47Å; Q472-Y488 HydrophobicContact CG-CE1 3.73Å; Q472-Y488 HydrophobicContact CG-CE2 3.99Å; Q472-Y488 VanDerWaalsContact CG-CZ 3.45Å; Q472-Y488 WeakPolarHBondContact CG-OH 3.38Å; Q472-Y488 PolarHBondContact N-OH 3.19Å; V483-Y488 HydrophobicContact CG1-CD1 3.53Å; V483-Y488 HydrophobicContact CG1-CE1 4.48Å; V483-Y488 HydrophobicContact CG1-CG 4.09Å; T486-Y488 PolarHBondContact O-N 3.49Å; T486-Y488 PolarHBondContact OG1-N 3.44Å; Y488-K490 PolarHBondContact O-N 3.24Å; Y488-K490 VanDerWaalsContact O-N 3.08Å; Y488-N491 HydrophobicContact CD2-CB 4.49Å; Y488-N491 HydrophobicContact CE2-CB 4.28Å; Y488-N491 WeakPolarHBondContact O-CB 3.49Å; Y488-N491 PolarHBondContact O-N 3.05Å; Y488-I492 HydrophobicContact CD1-CD1 4.17Å; Y488-I492 HydrophobicContact CD1-CG1 3.97Å; Y488-I492 HydrophobicContact CE1-CD1 4.45Å; Y488-I492 HydrophobicContact CE1-CG1 3.96Å |
| 489 | A | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -54.7 | -30 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L255 V256 M484 T486 D487 N491 I492 | L255-A489 HydrophobicContact CB-CB 4.13Å; L255-A489 PolarHBondContact N-O 2.94Å; V256-A489 HydrophobicContact CG2-CB 3.81Å; M484-A489 WeakPolarHBondContact O-CB 3.47Å; T486-A489 WeakPolarHBondContact O-CB 3.26Å; T486-A489 PolarHBondContact O-N 2.87Å; D487-A489 PolarHBondContact O-N 3.23Å; A489-N491 PolarHBondContact O-N 3.22Å; A489-I492 PolarHBondContact O-N 3Å |
| 490 | K | 92.9 | Very high | 89.5 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64.3 | -26.8 | 175.2 | 72.4 | -167.8 | 175.7 | 177.7 | 0 | 113.1 | P249 N254 V256 D487 Y488 L493 | P249-K490 WeakPolarHBondContact CB-O 3.47Å; P249-K490 HydrophobicContact CG-CB 4.45Å; P249-K490 HydrophobicContact CG-CD 4.34Å; P249-K490 HydrophobicContact CG-CG 4.14Å; N254-K490 WeakPolarHBondContact CB-O 3.26Å; N254-K490 PolarHBondContact ND2-O 2.71Å; V256-K490 HydrophobicContact CG2-CB 4.04Å; D487-K490 WeakPolarHBondContact O-CG 3.45Å; Y488-K490 PolarHBondContact O-N 3.24Å; Y488-K490 VanDerWaalsContact O-N 3.08Å; K490-L493 VanDerWaalsContact O-CD2 3.27Å; K490-L493 WeakPolarHBondContact O-CD2 3.43Å |
| 491 | N | 93 | Very high | 88.6 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -90.7 | 0.8 | -178.8 | -63.9 | -49.4 | 0 | 0 | 0 | 113.6 | Y488 A489 | Y488-N491 HydrophobicContact CD2-CB 4.49Å; Y488-N491 HydrophobicContact CE2-CB 4.28Å; Y488-N491 WeakPolarHBondContact O-CB 3.49Å; Y488-N491 PolarHBondContact O-N 3.05Å; A489-N491 PolarHBondContact O-N 3.22Å |
| 492 | I | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -93 | 103.7 | 174.9 | -55.7 | 180 | 0 | 0 | 0 | 107.5 | N254 L255 F265 F468 Y470 V483 Y488 A489 | N254-I492 VanDerWaalsContact CA-O 3.28Å; N254-I492 WeakPolarHBondContact CA-O 3.32Å; N254-I492 VanDerWaalsContact CB-O 3.31Å; N254-I492 WeakPolarHBondContact CB-O 3.42Å; L255-I492 HydrophobicContact CD1-CB 4.09Å; L255-I492 HydrophobicContact CD1-CD1 3.89Å; L255-I492 HydrophobicContact CD1-CG2 3.93Å; L255-I492 HydrophobicContact CG-CB 4.15Å; L255-I492 HydrophobicContact CG-CG2 4.14Å; F265-I492 HydrophobicContact CD2-CG2 3.66Å; F265-I492 HydrophobicContact CE1-CD1 4.2Å; F265-I492 HydrophobicContact CE2-CD1 4.06Å; F265-I492 HydrophobicContact CE2-CG2 3.56Å; F265-I492 HydrophobicContact CG-CG2 4.47Å; F265-I492 HydrophobicContact CZ-CD1 3.74Å; F265-I492 HydrophobicContact CZ-CG2 4.32Å; F468-I492 HydrophobicContact CB-CG2 4.13Å; F468-I492 HydrophobicContact CD1-CG2 4.13Å; F468-I492 HydrophobicContact CG-CG2 4.43Å; Y470-I492 HydrophobicContact CD2-CD1 4.05Å; Y470-I492 HydrophobicContact CD2-CG1 4.1Å; Y470-I492 HydrophobicContact CE2-CD1 4.19Å; V483-I492 HydrophobicContact CG1-CD1 4.17Å; Y488-I492 HydrophobicContact CD1-CD1 4.17Å; Y488-I492 HydrophobicContact CD1-CG1 3.97Å; Y488-I492 HydrophobicContact CE1-CD1 4.45Å; Y488-I492 HydrophobicContact CE1-CG1 3.96Å; A489-I492 PolarHBondContact O-N 3Å | ||
| 493 | L | 95.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.4 | -166.1 | -46.6 | -177.7 | 0 | 0 | 0 | 111.1 | L245 P249 A252 F253 N254 F468 L469 K490 V524 | L245-L493 HydrophobicContact CD1-CD1 4.27Å; L245-L493 HydrophobicContact CD2-CD1 3.41Å; L245-L493 VanDerWaalsContact CD2-CD1 3.41Å; L245-L493 HydrophobicContact CG-CD1 3.64Å; P249-L493 HydrophobicContact CB-CD2 4.43Å; A252-L493 HydrophobicContact CB-CB 4.22Å; A252-L493 HydrophobicContact CB-CD1 4.23Å; A252-L493 HydrophobicContact CB-CD2 4.09Å; A252-L493 HydrophobicContact CB-CG 4.4Å; F253-L493 CarbonylContact O-C 3.47Å; F253-L493 WeakPolarHBondContact O-CA 3.43Å; N254-L493 HydrophobicContact CB-CD2 3.88Å; F468-L493 CarbonylContact C-O 3.54Å; F468-L493 WeakPolarHBondContact CA-O 3.46Å; L469-L493 HydrophobicContact CB-CB 4.35Å; L469-L493 HydrophobicContact CD2-CD1 4.5Å; L469-L493 PolarHBondContact N-O 3.44Å; L469-L493 PolarHBondContact O-N 3.08Å; K490-L493 VanDerWaalsContact O-CD2 3.27Å; K490-L493 WeakPolarHBondContact O-CD2 3.43Å; L493-V524 HydrophobicContact CB-CG1 3.88Å; L493-V524 HydrophobicContact CB-CG2 4.47Å; L493-V524 HydrophobicContact CD1-CG1 4.19Å |
| 494 | A | 94 | Very high | 87.1 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F253 L261 F468 K525 | F253-A494 HydrophobicContact CB-CB 3.84Å; F253-A494 PolarHBondContact O-N 3.38Å; L261-A494 HydrophobicContact CD1-CB 4.25Å; F468-A494 HydrophobicContact CD1-CB 4.32Å; F468-A494 HydrophobicContact CE1-CB 4.12Å; A494-K525 PolarHBondContact O-N 3.31Å |
| 495 | L | 93.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 150.5 | 176 | -62.4 | 173.4 | 0 | 0 | 0 | 110.5 | L466 Y467 L469 C519 S523 V524 | L466-L495 WeakPolarHBondContact O-CD1 3.41Å; Y467-L495 WeakPolarHBondContact O-CB 3.46Å; Y467-L495 PolarHBondContact O-N 3.31Å; L469-L495 HydrophobicContact CB-CD2 4.08Å; L495-C519 WeakPolarHBondContact CB-SG 3.24Å; L495-S523 CarbonylContact C-O 3.58Å; L495-S523 WeakPolarHBondContact CA-O 3.27Å; L495-S523 WeakPolarHBondContact CD2-O 3.43Å; L495-V524 HydrophobicContact CD2-CG2 4.01Å |
| 496 | S | 90.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 169.5 | -179.1 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | W520 S523 K525 | S496-W520 PolarHBondContact O-N 3.04Å; S496-W520 WeakPolarHBondContact OG-CZ3 3.48Å; S496-S523 PolarHBondContact N-O 3.32Å; S496-K525 WeakPolarHBondContact OG-CD 3.35Å |
| 497 | G | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -157.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | F508 V518 | G497-F508 VanDerWaalsContact O-CZ 3.29Å; G497-F508 WeakPolarHBondContact O-CZ 3.32Å; G497-V518 WeakPolarHBondContact CA-O 3.42Å |
| 498 | W | 80 | Confident | 86 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 156.1 | 173 | 61.9 | -83.1 | 0 | 0 | 0 | 111.2 | M500 V518 W520 | W498-M500 HydrophobicContact CE3-CB 4.35Å; W498-M500 HydrophobicContact CH2-CB 4.45Å; W498-M500 HydrophobicContact CH2-CE 3.41Å; W498-M500 VanDerWaalsContact CH2-CE 3.41Å; W498-M500 HydrophobicContact CZ3-CB 3.65Å; W498-M500 HydrophobicContact CZ3-CE 3.72Å; W498-M500 HydrophobicContact CZ3-CG 4.07Å; W498-V518 HydrophobicContact CD2-CB 4.19Å; W498-V518 HydrophobicContact CD2-CG2 4.39Å; W498-V518 HydrophobicContact CG-CB 4.4Å; W498-V518 HydrophobicContact CH2-CG2 4.34Å; W498-V518 HydrophobicContact CZ2-CB 4.15Å; W498-V518 HydrophobicContact CZ2-CG1 4.17Å; W498-V518 HydrophobicContact CZ2-CG2 3.93Å; W498-V518 PolarHBondContact N-O 3.48Å; W498-V518 VanDerWaalsContact N-O 3.17Å; W498-V518 PolarHBondContact O-N 3.32Å; W498-W520 HydrophobicContact CB-CZ2 4.49Å; W498-W520 AromaticContact CD1-CE2 3.98Å; W498-W520 AromaticContact CD1-CZ2 3.77Å; W498-W520 AromaticContact CD1-NE1 3.83Å |
| 499 | V | 79.7 | Confident | 85.6 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.6 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | N501 D502 F508 K516 L517 | V499-N501 PolarHBondContact O-N 2.8Å; V499-D502 HydrophobicContact CB-CB 3.77Å; V499-D502 HydrophobicContact CG1-CB 3.77Å; V499-F508 HydrophobicContact CG2-CB 3.83Å; V499-F508 HydrophobicContact CG2-CD1 4.45Å; V499-F508 HydrophobicContact CG2-CD2 4.21Å; V499-F508 HydrophobicContact CG2-CG 3.93Å; V499-K516 HydrophobicContact CG1-CB 4.03Å; V499-L517 HydrophobicContact CG2-CD1 3.96Å |
| 500 | M | 74 | Confident | 85.3 | Confident | 123 Ų | 123 | 47.2 Ų | 47.2 | 61% | 0.606 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 129.8 | 179.9 | -169.7 | 174 | -74.8 | 0 | 0 | 110.7 | W498 D502 | W498-M500 HydrophobicContact CE3-CB 4.35Å; W498-M500 HydrophobicContact CH2-CB 4.45Å; W498-M500 HydrophobicContact CH2-CE 3.41Å; W498-M500 VanDerWaalsContact CH2-CE 3.41Å; W498-M500 HydrophobicContact CZ3-CB 3.65Å; W498-M500 HydrophobicContact CZ3-CE 3.72Å; W498-M500 HydrophobicContact CZ3-CG 4.07Å; M500-D502 VanDerWaalsContact C-N 3.27Å; M500-D502 PolarHBondContact O-N 3.04Å |
| 501 | N | 72.7 | Confident | 84.7 | Confident | 158 Ų | 158 | 46.7 Ų | 46.7 | 85% | 0.845 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.9 | -180 | -63.4 | -18.7 | 0 | 0 | 0 | 114.5 | V499 | V499-N501 PolarHBondContact O-N 2.8Š|
| 502 | D | 76.2 | Confident | 83.6 | Confident | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | trans | -83.4 | 164.7 | 173.5 | -154.5 | -0.7 | 0 | 0 | 0 | 111.9 | V499 M500 P504 F508 | V499-D502 HydrophobicContact CB-CB 3.77Å; V499-D502 HydrophobicContact CG1-CB 3.77Å; M500-D502 VanDerWaalsContact C-N 3.27Å; M500-D502 PolarHBondContact O-N 3.04Å; D502-P504 WeakPolarHBondContact O-CD 3.36Å; D502-F508 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 503 | N | 82.1 | Confident | 82.5 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | trans | -71.7 | 109.3 | 170.3 | 178.2 | 7.1 | 0 | 0 | 0 | 109.4 | L505 A506 | N503-L505 PolarHBondContact O-N 3.13Å; N503-L505 VanDerWaalsContact O-N 3.1Å; N503-L505 WeakPolarHBondContact OD1-CB 3.36Å; N503-L505 PolarHBondContact OD1-N 3.34Å; N503-A506 HydrophobicContact CB-CB 4.21Å; N503-A506 PolarHBondContact O-N 3.15Å | ||
| 504 | P | 81.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.6 | -177.4 | 31.6 | -38.5 | 0 | 0 | 0 | 112.8 | D502 A506 H562 T591 V596 F600 | D502-P504 WeakPolarHBondContact O-CD 3.36Å; P504-A506 VanDerWaalsContact C-N 3.31Å; P504-H562 HydrophobicContact CB-CB 3.82Å; P504-T591 HydrophobicContact CB-CG2 4.08Å; P504-T591 HydrophobicContact CG-CG2 3.69Å; P504-V596 HydrophobicContact CG-CG1 3.67Å; P504-F600 HydrophobicContact CB-CE2 4.18Å; P504-F600 HydrophobicContact CB-CZ 4.3Å; P504-F600 HydrophobicContact CG-CE2 4.38Å; P504-F600 WeakPolarHBondContact O-CZ 3.44Å |
| 505 | L | 84.5 | Confident | 79.6 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 40% | 0.398 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -12.7 | 175.6 | -60.6 | 172.2 | 0 | 0 | 0 | 112.6 | N503 I566 V596 I599 F600 | N503-L505 PolarHBondContact O-N 3.13Å; N503-L505 VanDerWaalsContact O-N 3.1Å; N503-L505 WeakPolarHBondContact OD1-CB 3.36Å; N503-L505 PolarHBondContact OD1-N 3.34Å; L505-I566 HydrophobicContact CD2-CD1 4.41Å; L505-V596 HydrophobicContact CD1-CG1 4.38Å; L505-V596 HydrophobicContact CG-CG1 4.23Å; L505-I599 HydrophobicContact CD1-CD1 4.27Å; L505-I599 HydrophobicContact CD2-CG2 4.18Å; L505-F600 HydrophobicContact CD2-CD2 4.18Å; L505-F600 HydrophobicContact CD2-CE2 3.51Å; L505-F600 HydrophobicContact CD2-CZ 4.13Å; L505-F600 HydrophobicContact CG-CE2 4.33Å |
| 506 | A | 83.3 | Confident | 78.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -103.7 | 142 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N503 P504 F508 | N503-A506 HydrophobicContact CB-CB 4.21Å; N503-A506 PolarHBondContact O-N 3.15Å; P504-A506 VanDerWaalsContact C-N 3.31Å; A506-F508 PolarHBondContact O-N 3.46Å |
| 507 | N | 83.3 | Confident | 78.4 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | trans | -79.8 | 112.3 | 172.6 | -176.3 | -3.1 | 0 | 0 | 0 | 109.4 | A509 E510 P565 | N507-A509 PolarHBondContact O-N 3.04Å; N507-A509 PolarHBondContact OD1-N 2.9Å; N507-A509 VanDerWaalsContact OD1-N 3.15Å; N507-E510 HydrophobicContact CB-CB 4.42Å; N507-E510 HydrophobicContact CB-CG 4.3Å; N507-E510 PolarHBondContact O-N 3.24Å; N507-P565 HydrophobicContact CB-CG 4.44Å | ||
| 508 | F | 81.8 | Confident | 78.3 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.2 | -179 | 65.9 | -102.8 | 0 | 0 | 0 | 114.5 | G497 V499 D502 A506 S513 L517 K525 | G497-F508 VanDerWaalsContact O-CZ 3.29Å; G497-F508 WeakPolarHBondContact O-CZ 3.32Å; V499-F508 HydrophobicContact CG2-CB 3.83Å; V499-F508 HydrophobicContact CG2-CD1 4.45Å; V499-F508 HydrophobicContact CG2-CD2 4.21Å; V499-F508 HydrophobicContact CG2-CG 3.93Å; D502-F508 WeakPolarHBondContact OD2-CB 3.38Å; A506-F508 PolarHBondContact O-N 3.46Å; F508-S513 WeakPolarHBondContact O-CB 3.38Å; F508-S513 PolarHBondContact O-OG 3.42Å; F508-L517 HydrophobicContact CD2-CD1 3.96Å; F508-L517 HydrophobicContact CE2-CD1 3.56Å; F508-L517 HydrophobicContact CE2-CD2 4.48Å; F508-L517 HydrophobicContact CZ-CD1 4.06Å; F508-K525 HydrophobicContact CE2-CD 4.47Å; F508-K525 HydrophobicContact CZ-CD 3.99Å |
| 509 | A | 84.3 | Confident | 78.7 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -14.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | F253 H260 N507 | F253-A509 HydrophobicContact CD1-CB 3.91Å; F253-A509 HydrophobicContact CD2-CB 4.02Å; F253-A509 HydrophobicContact CE1-CB 3.64Å; F253-A509 HydrophobicContact CE2-CB 3.74Å; F253-A509 HydrophobicContact CG-CB 4.11Å; F253-A509 HydrophobicContact CZ-CB 3.56Å; H260-A509 PolarHBondContact CE1-O 3.04Å; H260-A509 PolarHBondContact NE2-O 2.93Å; N507-A509 PolarHBondContact O-N 3.04Å; N507-A509 PolarHBondContact OD1-N 2.9Å; N507-A509 VanDerWaalsContact OD1-N 3.15Å |
| 510 | E | 84.9 | Confident | 79 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -100.2 | 153.1 | -179.7 | -67.8 | -178.3 | -169 | 0 | 0 | 111.8 | F253 N507 S513 | F253-E510 HydrophobicContact CE1-CG 4.22Å; F253-E510 HydrophobicContact CZ-CG 4.49Å; N507-E510 HydrophobicContact CB-CB 4.42Å; N507-E510 HydrophobicContact CB-CG 4.3Å; N507-E510 PolarHBondContact O-N 3.24Å; E510-S513 VanDerWaalsContact O-CB 3.26Å; E510-S513 WeakPolarHBondContact O-CB 3.48Å |
| 511 | P | 79.9 | Confident | 79.5 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -64.8 | 146.9 | 174.6 | -21.1 | 33.5 | 0 | 0 | 0 | 112.9 | H260 | H260-P511 HydrophobicContact CB-CG 4.46Š|
| 512 | P | 71.7 | Confident | 80.3 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 92% | 0.922 | 34% | 0.342 | S | S | * | . | S | Bend | cis | -85.5 | 114.4 | -5.6 | 32.4 | -30.7 | 0 | 0 | 0 | 111.5 | ||
| 513 | S | 70.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | trans | -121.4 | 146.5 | 179.3 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | F508 E510 | F508-S513 WeakPolarHBondContact O-CB 3.38Å; F508-S513 PolarHBondContact O-OG 3.42Å; E510-S513 VanDerWaalsContact O-CB 3.26Å; E510-S513 WeakPolarHBondContact O-CB 3.48Å | ||
| 514 | Q | 67.7 | Low | 81.7 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | trans | -112.5 | 153.6 | 178.6 | -66.5 | -174.4 | -5.3 | 0 | 0 | 112 | K516 | Q514-K516 VanDerWaalsContact C-N 3.27Å; Q514-K516 PolarHBondContact O-N 2.93Å | ||
| 515 | A | 60.9 | Low | 82.3 | Confident | 56 Ų | 56 | 50 Ų | 50 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -74.9 | 58.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | A434 | A434-A515 HydrophobicContact CB-CB 4.17Š|
| 516 | K | 75.8 | Confident | 82.8 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | trans | -112.9 | 19.1 | 179.4 | -65.4 | 179 | -173.9 | 165.5 | 0 | 114.1 | V433 V499 Q514 | V433-K516 HydrophobicContact CG1-CD 4.18Å; V433-K516 HydrophobicContact CG1-CG 3.84Å; V499-K516 HydrophobicContact CG1-CB 4.03Å; Q514-K516 VanDerWaalsContact C-N 3.27Å; Q514-K516 PolarHBondContact O-N 2.93Å | ||
| 517 | L | 85 | Confident | 83.4 | Confident | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.2 | -173.7 | -173.8 | 69 | 0 | 0 | 0 | 112.7 | Y467 V499 F508 | Y467-L517 HydrophobicContact CD1-CB 4.47Å; Y467-L517 HydrophobicContact CD1-CD2 4.12Å; Y467-L517 HydrophobicContact CE1-CB 4.04Å; Y467-L517 HydrophobicContact CE1-CD2 4.44Å; Y467-L517 HydrophobicContact CE1-CG 4.49Å; Y467-L517 WeakPolarHBondContact CE1-O 3.42Å; Y467-L517 PolarHBondContact OH-O 3.34Å; V499-L517 HydrophobicContact CG2-CD1 3.96Å; F508-L517 HydrophobicContact CD2-CD1 3.96Å; F508-L517 HydrophobicContact CE2-CD1 3.56Å; F508-L517 HydrophobicContact CE2-CD2 4.48Å; F508-L517 HydrophobicContact CZ-CD1 4.06Å |
| 518 | V | 85.5 | Confident | 83.9 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 35% | 0.352 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 101.1 | 162.8 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | G497 W498 | G497-V518 WeakPolarHBondContact CA-O 3.42Å; W498-V518 HydrophobicContact CD2-CB 4.19Å; W498-V518 HydrophobicContact CD2-CG2 4.39Å; W498-V518 HydrophobicContact CG-CB 4.4Å; W498-V518 HydrophobicContact CH2-CG2 4.34Å; W498-V518 HydrophobicContact CZ2-CB 4.15Å; W498-V518 HydrophobicContact CZ2-CG1 4.17Å; W498-V518 HydrophobicContact CZ2-CG2 3.93Å; W498-V518 PolarHBondContact N-O 3.48Å; W498-V518 VanDerWaalsContact N-O 3.17Å; W498-V518 PolarHBondContact O-N 3.32Å |
| 519 | C | 86.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 140.4 | -168.4 | -165.6 | 0 | 0 | 0 | 0 | 113.7 | L466 Y467 L495 | L466-C519 PolarHBondContact O-SG 3.01Å; Y467-C519 HydrophobicContact CD1-CB 3.98Å; Y467-C519 HydrophobicContact CE1-CB 3.94Å; L495-C519 WeakPolarHBondContact CB-SG 3.24Å |
| 520 | W | 86.3 | Confident | 84.6 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 101.5 | 167.5 | -54.6 | -39.5 | 0 | 0 | 0 | 109.8 | H237 S496 W498 D522 S523 N560 | H237-W520 AromaticContact CE1-CZ3 3.92Å; H237-W520 AromaticContact ND1-CZ3 3.7Å; S496-W520 PolarHBondContact O-N 3.04Å; S496-W520 WeakPolarHBondContact OG-CZ3 3.48Å; W498-W520 HydrophobicContact CB-CZ2 4.49Å; W498-W520 AromaticContact CD1-CE2 3.98Å; W498-W520 AromaticContact CD1-CZ2 3.77Å; W498-W520 AromaticContact CD1-NE1 3.83Å; W520-D522 PolarHBondContact O-N 2.89Å; W520-S523 PolarHBondContact O-N 3.29Å; W520-N560 VanDerWaalsContact CH2-ND2 3.31Å; W520-N560 WeakPolarHBondContact CH2-ND2 3.49Å |
| 521 | G | 85.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -3.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K240 | K240-G521 WeakPolarHBondContact CD-O 3.4Å; K240-G521 PolarHBondContact NZ-O 3.43Å |
| 522 | D | 88.1 | Confident | 85.5 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -10.8 | 178.1 | 62.9 | -29.1 | 0 | 0 | 0 | 114 | S186 S188 S191 K240 W520 | S186-D522 WeakPolarHBondContact CB-OD2 3.49Å; S186-D522 PolarHBondContact OG-OD2 3.5Å; S188-D522 WeakPolarHBondContact CB-OD2 3.41Å; S191-D522 WeakPolarHBondContact CB-OD2 3.27Å; S191-D522 PolarHBondContact OG-O 3.01Å; K240-D522 PolarHBondContact N-O 3.17Å; W520-D522 PolarHBondContact O-N 2.89Å |
| 523 | S | 93.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.5 | -169.6 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | S191 H237 T238 L495 S496 W520 | S191-S523 PolarHBondContact OG-OG 3.23Å; H237-S523 WeakPolarHBondContact CD2-CB 3.4Å; H237-S523 PolarHBondContact CD2-OG 3.2Å; H237-S523 PolarHBondContact NE2-OG 3.42Å; T238-S523 CarbonylContact O-C 3.51Å; T238-S523 VanDerWaalsContact O-CA 3.31Å; T238-S523 WeakPolarHBondContact O-CA 3.48Å; L495-S523 CarbonylContact C-O 3.58Å; L495-S523 WeakPolarHBondContact CA-O 3.27Å; L495-S523 WeakPolarHBondContact CD2-O 3.43Å; S496-S523 PolarHBondContact N-O 3.32Å; W520-S523 PolarHBondContact O-N 3.29Å |
| 524 | V | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.3 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | H237 T238 K240 L245 A252 L469 L493 L495 | H237-V524 CarbonylContact C-O 3.56Å; H237-V524 WeakPolarHBondContact CA-O 3.07Å; H237-V524 VanDerWaalsContact CB-O 3.24Å; H237-V524 WeakPolarHBondContact CB-O 3.48Å; T238-V524 HydrophobicContact CG2-CB 4.49Å; T238-V524 PolarHBondContact N-O 3.44Å; T238-V524 PolarHBondContact O-N 3Å; K240-V524 HydrophobicContact CB-CG2 4.16Å; L245-V524 HydrophobicContact CD2-CB 4.1Å; L245-V524 HydrophobicContact CD2-CG1 3.99Å; L245-V524 HydrophobicContact CD2-CG2 4.09Å; A252-V524 HydrophobicContact CB-CG1 3.47Å; A252-V524 VanDerWaalsContact CB-CG1 3.47Å; L469-V524 HydrophobicContact CD2-CG2 3.92Å; L493-V524 HydrophobicContact CB-CG1 3.88Å; L493-V524 HydrophobicContact CB-CG2 4.47Å; L493-V524 HydrophobicContact CD1-CG1 4.19Å; L495-V524 HydrophobicContact CD2-CG2 4.01Å |
| 525 | K | 94.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.3 | 179.2 | -172.6 | 74.9 | 177.2 | 122.9 | 0 | 110.7 | N236 A252 F253 A494 S496 F508 S563 | N236-K525 WeakPolarHBondContact O-CD 3.36Å; N236-K525 PolarHBondContact O-NZ 2.87Å; A252-K525 WeakPolarHBondContact CA-O 3.4Å; F253-K525 HydrophobicContact CD2-CB 4.13Å; F253-K525 HydrophobicContact CD2-CG 3.71Å; F253-K525 HydrophobicContact CE2-CG 3.85Å; A494-K525 PolarHBondContact O-N 3.31Å; S496-K525 WeakPolarHBondContact OG-CD 3.35Å; F508-K525 HydrophobicContact CE2-CD 4.47Å; F508-K525 HydrophobicContact CZ-CD 3.99Å; K525-S563 PolarHBondContact NZ-O 3.36Å |
| 526 | L | 95.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 139.1 | 179.9 | -64.4 | 171.6 | 0 | 0 | 0 | 112.2 | W235 N236 T238 W244 C251 F253 Y528 L538 M542 | W235-L526 WeakPolarHBondContact O-CD1 3.5Å; N236-L526 PolarHBondContact O-N 3.43Å; N236-L526 VanDerWaalsContact O-N 3.16Å; T238-L526 HydrophobicContact CG2-CD2 3.86Å; W244-L526 HydrophobicContact CH2-CD2 3.7Å; W244-L526 HydrophobicContact CZ2-CD2 4.45Å; C251-L526 WeakPolarHBondContact O-CA 3.41Å; F253-L526 WeakPolarHBondContact CE2-O 3.4Å; L526-Y528 HydrophobicContact CB-CD2 4.48Å; L526-Y528 HydrophobicContact CB-CE2 3.95Å; L526-L538 HydrophobicContact CB-CD1 4.47Å; L526-L538 HydrophobicContact CB-CD2 4.07Å; L526-L538 HydrophobicContact CD1-CD1 4.2Å; L526-L538 HydrophobicContact CD2-CD1 3.94Å; L526-L538 HydrophobicContact CG-CD1 4.42Å; L526-M542 HydrophobicContact CD1-CE 3.61Å |
| 527 | R | 95.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | trans | -113.6 | 91.8 | -175.9 | -172.6 | -160.7 | 71.3 | 85.7 | 5.3 | 111 | E250 C251 F253 N257 D534 C535 L538 | E250-R527 PolarHBondContact O-NE 3.05Å; E250-R527 PolarHBondContact O-NH2 3.4Å; E250-R527 VanDerWaalsContact O-NH2 3.13Å; C251-R527 PolarHBondContact O-N 3.17Å; F253-R527 HydrophobicContact CD1-CB 4.4Å; F253-R527 HydrophobicContact CD1-CG 4.07Å; F253-R527 HydrophobicContact CD2-CB 3.76Å; F253-R527 HydrophobicContact CD2-CG 4.27Å; F253-R527 HydrophobicContact CE1-CB 4.36Å; F253-R527 HydrophobicContact CE1-CG 3.8Å; F253-R527 HydrophobicContact CE2-CB 3.73Å; F253-R527 HydrophobicContact CE2-CG 4.02Å; F253-R527 HydrophobicContact CG-CB 4.11Å; F253-R527 HydrophobicContact CG-CG 4.28Å; F253-R527 HydrophobicContact CZ-CB 4.02Å; F253-R527 HydrophobicContact CZ-CG 3.76Å; N257-R527 WeakPolarHBondContact ND2-CD 3.42Å; N257-R527 PolarHBondContact ND2-NE 3.39Å; N257-R527 VanDerWaalsContact ND2-NE 3.11Å; R527-D534 PolarHBondContact NH2-O 2.98Å; R527-C535 WeakPolarHBondContact O-CB 3.43Å; R527-L538 WeakPolarHBondContact O-CD2 3.37Å | ||
| 528 | Y | 94.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | trans | -74.7 | -38.7 | 178.6 | -69 | -92.6 | 0 | 0 | 0 | 113.7 | W235 L526 L538 W539 M542 V568 | W235-Y528 WeakPolarHBondContact O-CE2 3.26Å; W235-Y528 PolarHBondContact O-OH 3.02Å; L526-Y528 HydrophobicContact CB-CD2 4.48Å; L526-Y528 HydrophobicContact CB-CE2 3.95Å; Y528-L538 HydrophobicContact CD1-CD2 3.86Å; Y528-L538 HydrophobicContact CD1-CG 3.99Å; Y528-L538 HydrophobicContact CD2-CD2 4.05Å; Y528-L538 HydrophobicContact CE1-CD1 4.45Å; Y528-L538 HydrophobicContact CE1-CD2 4.03Å; Y528-L538 HydrophobicContact CE1-CG 3.84Å; Y528-L538 HydrophobicContact CE2-CD2 4.19Å; Y528-L538 HydrophobicContact CG-CD2 3.89Å; Y528-W539 HydrophobicContact CD1-CD2 4.1Å; Y528-W539 AromaticContact CD1-CE2 3.93Å; Y528-W539 HydrophobicContact CD1-CG 4.32Å; Y528-W539 HydrophobicContact CD1-CZ2 4.39Å; Y528-W539 AromaticContact CD1-NE1 3.99Å; Y528-W539 PolarHBondContact O-NE1 2.82Å; Y528-M542 HydrophobicContact CE1-CB 4.23Å; Y528-M542 HydrophobicContact CE1-CG 4.08Å; Y528-M542 WeakPolarHBondContact OH-CG 3.44Å; Y528-V568 HydrophobicContact CD1-CG1 3.64Å; Y528-V568 HydrophobicContact CD1-CG2 4.19Å; Y528-V568 HydrophobicContact CD2-CG1 3.93Å; Y528-V568 HydrophobicContact CD2-CG2 4.09Å; Y528-V568 HydrophobicContact CE1-CG1 3.62Å; Y528-V568 HydrophobicContact CE2-CG1 3.92Å; Y528-V568 HydrophobicContact CG-CB 4.42Å; Y528-V568 HydrophobicContact CG-CG1 3.78Å; Y528-V568 HydrophobicContact CG-CG2 3.7Å | ||
| 529 | G | 91.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | 84.1 | -166 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H567 | G529-H567 PolarHBondContact O-NE2 2.97Š| ||
| 530 | K | 89.3 | Confident | 93.3 | Very high | 172 Ų | 172 | 44.8 Ų | 44.8 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -83.3 | -31.8 | -179.9 | -65.2 | -178.9 | -179.5 | 178.1 | 0 | 111.9 | D534 H567 | K530-D534 WeakPolarHBondContact CA-OD2 3.4Å; K530-D534 PolarHBondContact N-OD2 3.45Å; K530-H567 PolarHBondContact O-CD2 3.28Å; K530-H567 PolarHBondContact O-NE2 2.88Å |
| 531 | E | 90.7 | Very high | 93.8 | Very high | 109 Ų | 109 | 42.4 Ų | 42.4 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -144.3 | 166.1 | -178 | 57 | 173.1 | -143.1 | 0 | 0 | 112.2 | S533 D534 W539 | E531-S533 WeakPolarHBondContact CG-OG 3.06Å; E531-S533 PolarHBondContact O-N 3.42Å; E531-S533 PolarHBondContact OE1-OG 3.37Å; E531-D534 PolarHBondContact N-OD2 3.27Å; E531-D534 WeakPolarHBondContact O-CB 3.46Å; E531-D534 PolarHBondContact O-N 2.97Å; E531-D534 VanDerWaalsContact O-N 3.1Å; E531-W539 PolarHBondContact O-NE1 2.92Å |
| 532 | P | 92.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -54.7 | -27.6 | -179 | -29.4 | 36.5 | 0 | 0 | 0 | 115.6 | D534 C535 P536 W539 | P532-D534 VanDerWaalsContact C-N 3.27Å; P532-D534 PolarHBondContact O-N 3.32Å; P532-C535 CarbonylContact O-C 3.56Å; P532-C535 PolarHBondContact O-N 2.77Å; P532-P536 VanDerWaalsContact O-CA 3.27Å; P532-P536 WeakPolarHBondContact O-CA 3.41Å; P532-W539 HydrophobicContact CB-CB 4.21Å; P532-W539 HydrophobicContact CB-CD2 4.07Å; P532-W539 HydrophobicContact CB-CE3 4.43Å; P532-W539 HydrophobicContact CB-CG 3.99Å; P532-W539 HydrophobicContact CG-CD2 3.92Å; P532-W539 HydrophobicContact CG-CE3 3.86Å; P532-W539 HydrophobicContact CG-CG 4.37Å; P532-W539 HydrophobicContact CG-CZ3 4.19Å |
| 533 | S | 92.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -67.8 | -24.6 | -179.4 | 74.7 | 0 | 0 | 0 | 0 | 113.3 | E531 C535 P536 | E531-S533 WeakPolarHBondContact CG-OG 3.06Å; E531-S533 PolarHBondContact O-N 3.42Å; E531-S533 PolarHBondContact OE1-OG 3.37Å; S533-C535 VanDerWaalsContact C-N 3.31Å; S533-C535 PolarHBondContact O-N 3.32Å; S533-P536 WeakPolarHBondContact O-CD 3.41Å |
| 534 | D | 93.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -72.1 | -24.4 | -177.9 | -68.9 | -47.1 | 0 | 0 | 0 | 113.2 | R527 K530 E531 P532 | R527-D534 PolarHBondContact NH2-O 2.98Å; K530-D534 WeakPolarHBondContact CA-OD2 3.4Å; K530-D534 PolarHBondContact N-OD2 3.45Å; E531-D534 PolarHBondContact N-OD2 3.27Å; E531-D534 WeakPolarHBondContact O-CB 3.46Å; E531-D534 PolarHBondContact O-N 2.97Å; E531-D534 VanDerWaalsContact O-N 3.1Å; P532-D534 VanDerWaalsContact C-N 3.27Å; P532-D534 PolarHBondContact O-N 3.32Å |
| 535 | C | 95.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -156.5 | 67.9 | 176.9 | -162.7 | 0 | 0 | 0 | 0 | 112.5 | C251 R527 P532 S533 Y537 L538 W539 | C251-C535 VanDerWaalsContact SG-SG 3.64Å; R527-C535 WeakPolarHBondContact O-CB 3.43Å; P532-C535 CarbonylContact O-C 3.56Å; P532-C535 PolarHBondContact O-N 2.77Å; S533-C535 VanDerWaalsContact C-N 3.31Å; S533-C535 PolarHBondContact O-N 3.32Å; C535-Y537 VanDerWaalsContact C-N 3.34Å; C535-Y537 PolarHBondContact O-N 3.12Å; C535-Y537 VanDerWaalsContact O-N 3.17Å; C535-L538 HydrophobicContact CB-CB 4.28Å; C535-L538 PolarHBondContact O-N 3.29Å; C535-L538 VanDerWaalsContact O-N 3.09Å; C535-L538 VanDerWaalsContact SG-CB 3.6Å; C535-W539 PolarHBondContact O-N 3.28Å |
| 536 | P | 96.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 44 Ų | 44 | 55% | 0.545 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.4 | -42.9 | -165.4 | -27.4 | 35.6 | 0 | 0 | 0 | 114.6 | P532 S533 L538 W539 E540 | P532-P536 VanDerWaalsContact O-CA 3.27Å; P532-P536 WeakPolarHBondContact O-CA 3.41Å; S533-P536 WeakPolarHBondContact O-CD 3.41Å; P536-L538 PolarHBondContact O-N 3.04Å; P536-W539 PolarHBondContact O-N 2.64Å; P536-E540 PolarHBondContact O-N 3.27Å |
| 537 | Y | 97.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 26% | 0.263 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 179.5 | -179.1 | -89.7 | 0 | 0 | 0 | 112.2 | W244 H248 C535 W539 E540 H541 | W244-Y537 HydrophobicContact CD2-CE1 4.38Å; W244-Y537 HydrophobicContact CE3-CD1 4.46Å; W244-Y537 AromaticContact CE3-CE1 3.75Å; W244-Y537 HydrophobicContact CE3-CE1 3.75Å; W244-Y537 HydrophobicContact CZ3-CE1 4.31Å; H248-Y537 HydrophobicContact CB-CD1 3.98Å; H248-Y537 HydrophobicContact CB-CE1 4.24Å; H248-Y537 HydrophobicContact CB-CG 4.44Å; H248-Y537 AromaticContact CD2-CD1 3.85Å; H248-Y537 AromaticContact CD2-CD2 3.72Å; H248-Y537 AromaticContact CD2-CE1 3.68Å; H248-Y537 AromaticContact CD2-CE2 3.52Å; H248-Y537 AromaticContact CD2-CG 3.86Å; H248-Y537 AromaticContact CD2-CZ 3.5Å; H248-Y537 AromaticContact CE1-CD2 3.69Å; H248-Y537 AromaticContact CE1-CG 3.94Å; H248-Y537 AromaticContact CG-CD1 3.75Å; H248-Y537 AromaticContact CG-CE1 3.99Å; H248-Y537 AromaticContact CG-CG 3.79Å; H248-Y537 AromaticContact ND1-CG 3.85Å; H248-Y537 AromaticContact NE2-CD2 3.44Å; H248-Y537 WeakPolarHBondContact NE2-CD2 3.47Å; H248-Y537 AromaticContact NE2-CE2 3.4Å; H248-Y537 WeakPolarHBondContact NE2-CE2 3.43Å; H248-Y537 AromaticContact NE2-CG 3.95Å; H248-Y537 AromaticContact NE2-CZ 3.91Å; C535-Y537 VanDerWaalsContact C-N 3.34Å; C535-Y537 PolarHBondContact O-N 3.12Å; C535-Y537 VanDerWaalsContact O-N 3.17Å; Y537-W539 PolarHBondContact O-N 3.13Å; Y537-E540 PolarHBondContact O-N 3.25Å; Y537-H541 HydrophobicContact CE1-CB 4.3Å; Y537-H541 VanDerWaalsContact O-CB 3.26Å; Y537-H541 WeakPolarHBondContact O-CB 3.47Å; Y537-H541 PolarHBondContact O-N 3.07Å |
| 538 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | -179.1 | 178.9 | 60.1 | 0 | 0 | 0 | 111.4 | W244 C251 L526 R527 Y528 C535 P536 H541 M542 | W244-L538 HydrophobicContact CH2-CD1 4.23Å; C251-L538 HydrophobicContact CB-CB 4.17Å; C251-L538 HydrophobicContact CB-CD1 4.45Å; C251-L538 HydrophobicContact CB-CD2 4.45Å; L526-L538 HydrophobicContact CB-CD1 4.47Å; L526-L538 HydrophobicContact CB-CD2 4.07Å; L526-L538 HydrophobicContact CD1-CD1 4.2Å; L526-L538 HydrophobicContact CD2-CD1 3.94Å; L526-L538 HydrophobicContact CG-CD1 4.42Å; R527-L538 WeakPolarHBondContact O-CD2 3.37Å; Y528-L538 HydrophobicContact CD1-CD2 3.86Å; Y528-L538 HydrophobicContact CD1-CG 3.99Å; Y528-L538 HydrophobicContact CD2-CD2 4.05Å; Y528-L538 HydrophobicContact CE1-CD1 4.45Å; Y528-L538 HydrophobicContact CE1-CD2 4.03Å; Y528-L538 HydrophobicContact CE1-CG 3.84Å; Y528-L538 HydrophobicContact CE2-CD2 4.19Å; Y528-L538 HydrophobicContact CG-CD2 3.89Å; C535-L538 HydrophobicContact CB-CB 4.28Å; C535-L538 PolarHBondContact O-N 3.29Å; C535-L538 VanDerWaalsContact O-N 3.09Å; C535-L538 VanDerWaalsContact SG-CB 3.6Å; P536-L538 PolarHBondContact O-N 3.04Å; L538-H541 PolarHBondContact O-N 2.7Å; L538-M542 HydrophobicContact CD1-CE 3.77Å; L538-M542 HydrophobicContact CD1-CG 3.78Å; L538-M542 HydrophobicContact CG-CG 4.42Å; L538-M542 WeakPolarHBondContact O-CB 3.34Å; L538-M542 VanDerWaalsContact O-CG 3.22Å; L538-M542 WeakPolarHBondContact O-CG 3.16Å; L538-M542 PolarHBondContact O-N 3.44Å |
| 539 | W | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 178.4 | -78.1 | 87.6 | 0 | 0 | 0 | 111.5 | Y528 E531 P532 C535 P536 Y537 T543 V568 Y571 | Y528-W539 HydrophobicContact CD1-CD2 4.1Å; Y528-W539 AromaticContact CD1-CE2 3.93Å; Y528-W539 HydrophobicContact CD1-CG 4.32Å; Y528-W539 HydrophobicContact CD1-CZ2 4.39Å; Y528-W539 AromaticContact CD1-NE1 3.99Å; Y528-W539 PolarHBondContact O-NE1 2.82Å; E531-W539 PolarHBondContact O-NE1 2.92Å; P532-W539 HydrophobicContact CB-CB 4.21Å; P532-W539 HydrophobicContact CB-CD2 4.07Å; P532-W539 HydrophobicContact CB-CE3 4.43Å; P532-W539 HydrophobicContact CB-CG 3.99Å; P532-W539 HydrophobicContact CG-CD2 3.92Å; P532-W539 HydrophobicContact CG-CE3 3.86Å; P532-W539 HydrophobicContact CG-CG 4.37Å; P532-W539 HydrophobicContact CG-CZ3 4.19Å; C535-W539 PolarHBondContact O-N 3.28Å; P536-W539 PolarHBondContact O-N 2.64Å; Y537-W539 PolarHBondContact O-N 3.13Å; W539-T543 VanDerWaalsContact O-CB 3.28Å; W539-T543 WeakPolarHBondContact O-CB 3.25Å; W539-T543 PolarHBondContact O-N 2.93Å; W539-T543 PolarHBondContact O-OG1 2.77Å; W539-V568 HydrophobicContact CH2-CB 4.47Å; W539-V568 HydrophobicContact CH2-CG2 3.98Å; W539-V568 HydrophobicContact CZ2-CG2 4.04Å; W539-Y571 AromaticContact CE3-CD1 3.64Å; W539-Y571 HydrophobicContact CE3-CD1 3.64Å; W539-Y571 AromaticContact CE3-CE1 3.78Å; W539-Y571 HydrophobicContact CE3-CE1 3.78Å; W539-Y571 HydrophobicContact CE3-CG 4.11Å; W539-Y571 AromaticContact CZ3-CD1 3.45Å; W539-Y571 HydrophobicContact CZ3-CD1 3.45Å; W539-Y571 VanDerWaalsContact CZ3-CD1 3.45Å; W539-Y571 HydrophobicContact CZ3-CD2 4.1Å; W539-Y571 HydrophobicContact CZ3-CE1 4.04Å; W539-Y571 AromaticContact CZ3-CG 3.49Å; W539-Y571 HydrophobicContact CZ3-CG 3.49Å; W539-Y571 VanDerWaalsContact CZ3-CG 3.49Å |
| 540 | E | 97.4 | Very high | 96 | Very high | 105 Ų | 105 | 45.8 Ų | 45.8 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 177.2 | -171 | -175.1 | 168.1 | 0 | 0 | 111.9 | P536 Y537 M542 T543 K544 | P536-E540 PolarHBondContact O-N 3.27Å; Y537-E540 PolarHBondContact O-N 3.25Å; E540-M542 PolarHBondContact O-N 3.27Å; E540-T543 WeakPolarHBondContact O-CB 3.31Å; E540-T543 PolarHBondContact O-N 3.18Å; E540-K544 WeakPolarHBondContact O-CG 3.43Å; E540-K544 PolarHBondContact O-N 3.35Å; E540-K544 WeakPolarHBondContact OE1-CE 3.36Å; E540-K544 IonicContact OE1-NZ 2.89Å; E540-K544 PolarHBondContact OE1-NZ 2.77Å |
| 541 | H | 97.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 179.3 | -173.8 | 89.7 | 0 | 0 | 0 | 111.6 | Q195 L196 W244 Y537 L538 K544 Y545 | Q195-H541 PolarHBondContact OE1-NE2 3.37Å; L196-H541 WeakPolarHBondContact CD1-ND1 3.22Å; W244-H541 AromaticContact NE1-NE2 4Å; Y537-H541 HydrophobicContact CE1-CB 4.3Å; Y537-H541 VanDerWaalsContact O-CB 3.26Å; Y537-H541 WeakPolarHBondContact O-CB 3.47Å; Y537-H541 PolarHBondContact O-N 3.07Å; L538-H541 PolarHBondContact O-N 2.7Å; H541-K544 PolarHBondContact O-N 3.27Å; H541-Y545 PolarHBondContact O-N 3.4Å |
| 542 | M | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.8 | -29.2 | 179.9 | -64.4 | -63.9 | 165.6 | 0 | 0 | 112.8 | Q195 W244 L526 Y528 L538 E540 Y545 T546 L572 | Q195-M542 HydrophobicContact CG-CE 4.13Å; Q195-M542 HydrophobicContact CG-SD 4.29Å; W244-M542 HydrophobicContact CH2-CE 4.41Å; W244-M542 HydrophobicContact CZ2-CE 4.3Å; L526-M542 HydrophobicContact CD1-CE 3.61Å; Y528-M542 HydrophobicContact CE1-CB 4.23Å; Y528-M542 HydrophobicContact CE1-CG 4.08Å; Y528-M542 WeakPolarHBondContact OH-CG 3.44Å; L538-M542 HydrophobicContact CD1-CE 3.77Å; L538-M542 HydrophobicContact CD1-CG 3.78Å; L538-M542 HydrophobicContact CG-CG 4.42Å; L538-M542 WeakPolarHBondContact O-CB 3.34Å; L538-M542 VanDerWaalsContact O-CG 3.22Å; L538-M542 WeakPolarHBondContact O-CG 3.16Å; L538-M542 PolarHBondContact O-N 3.44Å; E540-M542 PolarHBondContact O-N 3.27Å; M542-Y545 HydrophobicContact SD-CD1 3.99Å; M542-T546 VanDerWaalsContact O-CB 3.24Å; M542-T546 WeakPolarHBondContact O-CB 3.22Å; M542-T546 PolarHBondContact O-N 3.28Å; M542-T546 PolarHBondContact O-OG1 2.99Å; M542-L572 HydrophobicContact CB-CD1 4.43Å; M542-L572 HydrophobicContact CB-CD2 4.2Å |
| 543 | T | 98 | Very high | 96.9 | Very high | 14 Ų | 14 | 35 Ų | 35 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 170.4 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | W539 E540 Y545 T546 Q547 Y571 E575 | W539-T543 VanDerWaalsContact O-CB 3.28Å; W539-T543 WeakPolarHBondContact O-CB 3.25Å; W539-T543 PolarHBondContact O-N 2.93Å; W539-T543 PolarHBondContact O-OG1 2.77Å; E540-T543 WeakPolarHBondContact O-CB 3.31Å; E540-T543 PolarHBondContact O-N 3.18Å; T543-Y545 PolarHBondContact O-N 3.2Å; T543-T546 PolarHBondContact O-N 2.95Å; T543-Q547 HydrophobicContact CG2-CG 4.3Å; T543-Q547 WeakPolarHBondContact O-CB 3.4Å; T543-Q547 VanDerWaalsContact O-CG 3.31Å; T543-Q547 WeakPolarHBondContact O-CG 3.42Å; T543-Q547 PolarHBondContact O-N 2.79Å; T543-Y571 WeakPolarHBondContact OG1-CE1 3.4Å; T543-E575 HydrophobicContact CG2-CB 4.25Å; T543-E575 HydrophobicContact CG2-CG 3.95Å |
| 544 | K | 98 | Very high | 97.1 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 43% | 0.426 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 177.7 | -72.8 | 175.3 | -174.6 | 166.2 | 0 | 111.8 | L196 E540 H541 Q548 | L196-K544 HydrophobicContact CD1-CB 4.39Å; L196-K544 HydrophobicContact CD1-CD 4.48Å; L196-K544 HydrophobicContact CD2-CB 3.85Å; E540-K544 WeakPolarHBondContact O-CG 3.43Å; E540-K544 PolarHBondContact O-N 3.35Å; E540-K544 WeakPolarHBondContact OE1-CE 3.36Å; E540-K544 IonicContact OE1-NZ 2.89Å; E540-K544 PolarHBondContact OE1-NZ 2.77Å; H541-K544 PolarHBondContact O-N 3.27Å; K544-Q548 VanDerWaalsContact O-CB 3.3Å; K544-Q548 WeakPolarHBondContact O-CB 3.08Å; K544-Q548 PolarHBondContact O-N 2.57Å |
| 545 | Y | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.7 | -53.2 | 174.8 | 166.5 | -140.3 | 0 | 0 | 0 | 110.8 | Q181 Q195 V233 V234 H541 M542 T543 Q547 Q548 T549 | Q181-Y545 HydrophobicContact CG-CE2 4.2Å; Q195-Y545 HydrophobicContact CB-CD1 3.92Å; Q195-Y545 HydrophobicContact CB-CD2 4.01Å; Q195-Y545 HydrophobicContact CB-CE1 4.44Å; Q195-Y545 HydrophobicContact CB-CG 3.69Å; Q195-Y545 HydrophobicContact CG-CD1 3.93Å; Q195-Y545 HydrophobicContact CG-CE1 4.17Å; Q195-Y545 HydrophobicContact CG-CG 4.24Å; V233-Y545 WeakPolarHBondContact CA-OH 3.47Å; V234-Y545 PolarHBondContact N-OH 3.12Å; H541-Y545 PolarHBondContact O-N 3.4Å; M542-Y545 HydrophobicContact SD-CD1 3.99Å; T543-Y545 PolarHBondContact O-N 3.2Å; Y545-Q547 PolarHBondContact O-N 2.8Å; Y545-Q548 PolarHBondContact O-N 3.32Å; Y545-T549 WeakPolarHBondContact CD2-OG1 3.45Å; Y545-T549 VanDerWaalsContact CE2-OG1 3.24Å; Y545-T549 WeakPolarHBondContact CE2-OG1 3.13Å; Y545-T549 PolarHBondContact O-N 2.95Å; Y545-T549 PolarHBondContact O-OG1 3.38Å |
| 546 | T | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | -177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | W235 M542 T543 Q548 T549 A550 F556 L572 A576 | W235-T546 HydrophobicContact CZ2-CG2 3.97Å; W235-T546 PolarHBondContact NE1-OG1 3.46Å; M542-T546 VanDerWaalsContact O-CB 3.24Å; M542-T546 WeakPolarHBondContact O-CB 3.22Å; M542-T546 PolarHBondContact O-N 3.28Å; M542-T546 PolarHBondContact O-OG1 2.99Å; T543-T546 PolarHBondContact O-N 2.95Å; T546-Q548 PolarHBondContact O-N 3.41Å; T546-T549 PolarHBondContact O-N 2.73Å; T546-A550 WeakPolarHBondContact O-CB 3.26Å; T546-A550 PolarHBondContact O-N 3.08Å; T546-F556 HydrophobicContact CG2-CE2 3.84Å; T546-F556 HydrophobicContact CG2-CZ 4.13Å; T546-L572 HydrophobicContact CG2-CB 4.3Å; T546-L572 VanDerWaalsContact CG2-O 3.3Å; T546-L572 WeakPolarHBondContact CG2-O 3.24Å; T546-A576 HydrophobicContact CG2-CB 3.8Å |
| 547 | Q | 98.1 | Very high | 97.5 | Very high | 43 Ų | 43 | 25.2 Ų | 25.2 | 20% | 0.201 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 176.6 | -72.6 | 179.8 | -4 | 0 | 0 | 111.8 | T543 Y545 A550 R551 E575 V579 | T543-Q547 HydrophobicContact CG2-CG 4.3Å; T543-Q547 WeakPolarHBondContact O-CB 3.4Å; T543-Q547 VanDerWaalsContact O-CG 3.31Å; T543-Q547 WeakPolarHBondContact O-CG 3.42Å; T543-Q547 PolarHBondContact O-N 2.79Å; Y545-Q547 PolarHBondContact O-N 2.8Å; Q547-A550 PolarHBondContact O-N 3.41Å; Q547-R551 WeakPolarHBondContact O-CG 3.49Å; Q547-R551 PolarHBondContact O-N 2.82Å; Q547-E575 HydrophobicContact CG-CB 4.45Å; Q547-E575 PolarHBondContact NE2-OE2 3.2Å; Q547-E575 VanDerWaalsContact NE2-OE2 3.09Å; Q547-V579 HydrophobicContact CB-CG2 3.92Å; Q547-V579 HydrophobicContact CG-CG2 3.83Å |
| 548 | Q | 96.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 22.2 Ų | 22.2 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 177 | -176.3 | 57.1 | 26.7 | 0 | 0 | 111.6 | K544 Y545 T546 A550 R551 T552 | K544-Q548 VanDerWaalsContact O-CB 3.3Å; K544-Q548 WeakPolarHBondContact O-CB 3.08Å; K544-Q548 PolarHBondContact O-N 2.57Å; Y545-Q548 PolarHBondContact O-N 3.32Å; T546-Q548 PolarHBondContact O-N 3.41Å; Q548-A550 PolarHBondContact O-N 3.02Å; Q548-R551 PolarHBondContact O-N 3.33Å; Q548-T552 PolarHBondContact O-N 3.46Å; Q548-T552 VanDerWaalsContact O-N 3.17Å; Q548-T552 PolarHBondContact O-OG1 2.89Å |
| 549 | T | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 175.9 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | V233 Y545 T546 R551 T552 F553 F556 | V233-T549 HydrophobicContact CG1-CG2 4.01Å; Y545-T549 WeakPolarHBondContact CD2-OG1 3.45Å; Y545-T549 VanDerWaalsContact CE2-OG1 3.24Å; Y545-T549 WeakPolarHBondContact CE2-OG1 3.13Å; Y545-T549 PolarHBondContact O-N 2.95Å; Y545-T549 PolarHBondContact O-OG1 3.38Å; T546-T549 PolarHBondContact O-N 2.73Å; T549-R551 VanDerWaalsContact C-N 3.32Å; T549-R551 PolarHBondContact O-N 3.43Å; T549-T552 PolarHBondContact O-N 2.8Å; T549-F553 HydrophobicContact CG2-CD2 3.6Å; T549-F553 HydrophobicContact CG2-CE2 4.12Å; T549-F553 WeakPolarHBondContact O-CD2 3.15Å; T549-F553 PolarHBondContact O-N 2.83Å; T549-F556 HydrophobicContact CG2-CD1 4.09Å; T549-F556 HydrophobicContact CG2-CE1 3.56Å; T549-F556 HydrophobicContact CG2-CZ 4.37Å |
| 550 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66 | -30.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T546 Q547 Q548 F553 F556 A576 V579 R580 | T546-A550 WeakPolarHBondContact O-CB 3.26Å; T546-A550 PolarHBondContact O-N 3.08Å; Q547-A550 PolarHBondContact O-N 3.41Å; Q548-A550 PolarHBondContact O-N 3.02Å; A550-F553 VanDerWaalsContact O-O 3.07Å; A550-F556 HydrophobicContact CB-CE1 4.3Å; A550-F556 HydrophobicContact CB-CZ 3.8Å; A550-A576 HydrophobicContact CB-CB 4.05Å; A550-V579 HydrophobicContact CB-CB 4.07Å; A550-V579 HydrophobicContact CB-CG1 4.02Å; A550-R580 PolarHBondContact O-NE 2.87Å; A550-R580 VanDerWaalsContact O-NE 3.17Å |
| 551 | R | 97.1 | Very high | 96 | Very high | 105 Ų | 105 | 18.4 Ų | 18.4 | 40% | 0.396 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 172.8 | -71.9 | -179.5 | -164.9 | 112.8 | 8.2 | 110.9 | Q547 Q548 T549 V579 | Q547-R551 WeakPolarHBondContact O-CG 3.49Å; Q547-R551 PolarHBondContact O-N 2.82Å; Q548-R551 PolarHBondContact O-N 3.33Å; T549-R551 VanDerWaalsContact C-N 3.32Å; T549-R551 PolarHBondContact O-N 3.43Å; R551-V579 HydrophobicContact CB-CG1 4.3Å; R551-V579 HydrophobicContact CG-CG1 3.39Å |
| 552 | T | 96.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.9 | -40.8 | -175.8 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | V214 Q215 V218 Q548 T549 | V214-T552 HydrophobicContact CB-CG2 4.35Å; V214-T552 HydrophobicContact CG1-CG2 3.93Å; Q215-T552 HydrophobicContact CB-CG2 4.25Å; V218-T552 WeakPolarHBondContact CG1-O 3.21Å; Q548-T552 PolarHBondContact O-N 3.46Å; Q548-T552 VanDerWaalsContact O-N 3.17Å; Q548-T552 PolarHBondContact O-OG1 2.89Å; T549-T552 PolarHBondContact O-N 2.8Å |
| 553 | F | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | trans | -112.7 | 158.4 | -171.2 | -60.4 | -76.5 | 0 | 0 | 0 | 112.8 | I180 V214 V218 T229 T549 A550 G555 R580 | I180-F553 HydrophobicContact CD1-CE2 4.13Å; I180-F553 HydrophobicContact CD1-CZ 3.99Å; I180-F553 HydrophobicContact CG1-CZ 4.45Å; I180-F553 HydrophobicContact CG2-CZ 4.44Å; V214-F553 HydrophobicContact CG1-CZ 4.43Å; V218-F553 HydrophobicContact CG2-CD1 4.21Å; V218-F553 HydrophobicContact CG2-CE1 4.09Å; T229-F553 HydrophobicContact CG2-CD1 3.63Å; T229-F553 HydrophobicContact CG2-CE1 3.72Å; T549-F553 HydrophobicContact CG2-CD2 3.6Å; T549-F553 HydrophobicContact CG2-CE2 4.12Å; T549-F553 WeakPolarHBondContact O-CD2 3.15Å; T549-F553 PolarHBondContact O-N 2.83Å; A550-F553 VanDerWaalsContact O-O 3.07Å; F553-G555 VanDerWaalsContact C-N 3.34Å; F553-R580 PolarHBondContact O-NE 2.73Å | ||
| 554 | H | 97.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 20 Ų | 20 | 5% | 0.051 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -80.9 | -17.8 | 180 | -59.4 | 88.9 | 0 | 0 | 0 | 112.9 | V218 H222 F228 T229 Y584 | V218-H554 VanDerWaalsContact CG1-CE1 3.44Å; V218-H554 WeakPolarHBondContact CG1-CE1 3.19Å; H222-H554 AromaticContact CE1-CD2 3.98Å; H222-H554 AromaticContact CE1-NE2 3.59Å; H222-H554 AromaticContact CG-CE1 3.9Å; H222-H554 AromaticContact CG-NE2 3.49Å; H222-H554 AromaticContact ND1-CD2 3.77Å; H222-H554 AromaticContact ND1-CE1 3.64Å; H222-H554 AromaticContact ND1-NE2 3.11Å; H222-H554 PolarHBondContact ND1-NE2 2.99Å; H222-H554 VanDerWaalsContact ND1-NE2 3.11Å; F228-H554 HydrophobicContact CB-CB 4.31Å; F228-H554 HydrophobicContact CD1-CB 4.04Å; F228-H554 AromaticContact CD1-CD2 3.8Å; F228-H554 AromaticContact CD1-CG 3.79Å; T229-H554 PolarHBondContact N-ND1 2.84Å; T229-H554 PolarHBondContact O-N 3.43Å; T229-H554 PolarHBondContact O-ND1 2.77Å; H554-Y584 PolarHBondContact O-N 2.97Å |
| 555 | G | 97 | Very high | 94 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I230 S231 F553 Y584 | I230-G555 VanDerWaalsContact CA-O 3.26Å; I230-G555 WeakPolarHBondContact CA-O 3.21Å; I230-G555 WeakPolarHBondContact CB-O 3.49Å; S231-G555 PolarHBondContact N-O 2.63Å; S231-G555 VanDerWaalsContact N-O 3.13Å; F553-G555 VanDerWaalsContact C-N 3.34Å; G555-Y584 CarbonylContact C-O 3.57Å; G555-Y584 WeakPolarHBondContact CA-O 2.97Å |
| 556 | F | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.9 | -180 | -62.4 | -20.9 | 0 | 0 | 0 | 112.2 | S231 V233 W235 T546 T549 A550 L558 L573 A576 L583 Y584 V585 C586 | S231-F556 VanDerWaalsContact O-CA 3.27Å; S231-F556 WeakPolarHBondContact O-CA 3.46Å; V233-F556 HydrophobicContact CG1-CB 4.44Å; V233-F556 HydrophobicContact CG1-CD1 3.77Å; V233-F556 HydrophobicContact CG1-CD2 3.94Å; V233-F556 HydrophobicContact CG1-CE1 3.94Å; V233-F556 HydrophobicContact CG1-CE2 4.05Å; V233-F556 HydrophobicContact CG1-CG 3.8Å; V233-F556 HydrophobicContact CG1-CZ 4.05Å; V233-F556 HydrophobicContact CG2-CB 4.12Å; V233-F556 HydrophobicContact CG2-CD2 4.08Å; V233-F556 HydrophobicContact CG2-CG 4.15Å; W235-F556 HydrophobicContact CZ2-CD2 4.49Å; W235-F556 HydrophobicContact CZ2-CE2 4.44Å; T546-F556 HydrophobicContact CG2-CE2 3.84Å; T546-F556 HydrophobicContact CG2-CZ 4.13Å; T549-F556 HydrophobicContact CG2-CD1 4.09Å; T549-F556 HydrophobicContact CG2-CE1 3.56Å; T549-F556 HydrophobicContact CG2-CZ 4.37Å; A550-F556 HydrophobicContact CB-CE1 4.3Å; A550-F556 HydrophobicContact CB-CZ 3.8Å; F556-L558 HydrophobicContact CB-CD2 4.28Å; F556-L573 HydrophobicContact CD2-CD2 3.96Å; F556-L573 HydrophobicContact CE2-CD2 4.47Å; F556-A576 HydrophobicContact CE2-CB 3.5Å; F556-A576 HydrophobicContact CZ-CB 3.93Å; F556-L583 HydrophobicContact CD1-CD1 4.47Å; F556-L583 HydrophobicContact CD2-CD2 3.99Å; F556-L583 HydrophobicContact CE1-CD1 4.34Å; F556-L583 HydrophobicContact CE2-CD2 3.98Å; F556-L583 HydrophobicContact CZ-CD1 4.44Å; F556-Y584 PolarHBondContact N-O 2.86Å; F556-V585 WeakPolarHBondContact O-CA 3.45Å; F556-C586 PolarHBondContact O-N 3.27Å |
| 557 | R | 97.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.3 | 153.1 | 179.7 | -174.2 | 174 | -89.9 | 5.8 | 107.9 | H176 S231 D232 V233 D559 C586 E588 | H176-R557 WeakPolarHBondContact CE1-CD 3.24Å; S231-R557 PolarHBondContact O-N 3.22Å; D232-R557 WeakPolarHBondContact CA-O 3.27Å; D232-R557 VanDerWaalsContact OD1-CB 3.29Å; D232-R557 WeakPolarHBondContact OD1-CB 3.35Å; D232-R557 WeakPolarHBondContact OD1-CD 3.39Å; D232-R557 WeakPolarHBondContact OD1-CG 3.32Å; D232-R557 IonicContact OD1-CZ 3.67Å; D232-R557 IonicContact OD1-NE 2.69Å; D232-R557 IonicContact OD1-NH1 2.9Å; D232-R557 PolarHBondContact OD1-NH1 3.25Å; D232-R557 IonicContact OD2-NH1 3.71Å; V233-R557 PolarHBondContact N-O 2.86Å; V233-R557 VanDerWaalsContact N-O 3.12Å; R557-D559 IonicContact CZ-OD1 3.64Å; R557-D559 IonicContact NH1-OD1 3.82Å; R557-D559 PolarHBondContact NH1-OD1 2.83Å; R557-D559 IonicContact NH2-OD1 2.72Å; R557-D559 PolarHBondContact O-N 3.29Å; R557-C586 CarbonylContact C-O 3.06Å; R557-C586 WeakPolarHBondContact CA-O 3.36Å; R557-E588 IonicContact CZ-OE2 2.72Å; R557-E588 IonicContact NH1-OE2 3.64Å; R557-E588 IonicContact NH2-OE2 2.77Å; R557-E588 PolarHBondContact NH2-OE2 2.86Å |
| 558 | L | 95.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 96.7 | 173.9 | -54.8 | -175.1 | 0 | 0 | 0 | 108.7 | V233 W235 F556 N560 C561 L573 V585 C586 A587 E588 L604 I606 | V233-L558 HydrophobicContact CG2-CD2 3.39Å; W235-L558 HydrophobicContact CH2-CD2 3.71Å; W235-L558 HydrophobicContact CZ3-CD2 3.73Å; F556-L558 HydrophobicContact CB-CD2 4.28Å; L558-N560 PolarHBondContact O-N 3.32Å; L558-C561 HydrophobicContact CB-CB 3.93Å; L558-L573 HydrophobicContact CD1-CD1 4.14Å; L558-L573 HydrophobicContact CD2-CD2 4.4Å; L558-V585 HydrophobicContact CD1-CG1 3.82Å; L558-V585 HydrophobicContact CD2-CG1 4.4Å; L558-V585 HydrophobicContact CG-CG1 3.88Å; L558-C586 PolarHBondContact N-O 3.42Å; L558-A587 HydrophobicContact CB-CB 3.92Å; L558-A587 HydrophobicContact CD1-CB 4.21Å; L558-A587 HydrophobicContact CG-CB 4.33Å; L558-E588 PolarHBondContact O-N 2.93Å; L558-L604 HydrophobicContact CD1-CD1 4.47Å; L558-I606 HydrophobicContact CD1-CD1 4.45Å; L558-I606 HydrophobicContact CD1-CG1 4.29Å |
| 559 | D | 87.4 | Confident | 93.2 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 10% | 0.096 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 129.4 | 172.6 | -172.8 | 61.9 | 0 | 0 | 0 | 110.3 | Y190 R557 C561 | Y190-D559 HydrophobicContact CD1-CB 4.42Å; Y190-D559 HydrophobicContact CE1-CB 4.2Å; R557-D559 IonicContact CZ-OD1 3.64Å; R557-D559 IonicContact NH1-OD1 3.82Å; R557-D559 PolarHBondContact NH1-OD1 2.83Å; R557-D559 IonicContact NH2-OD1 2.72Å; R557-D559 PolarHBondContact O-N 3.29Å; D559-C561 VanDerWaalsContact C-N 3.29Å; D559-C561 PolarHBondContact O-N 2.81Å |
| 560 | N | 85.2 | Confident | 93 | Very high | 12 Ų | 12 | 17.8 Ų | 17.8 | 6% | 0.064 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 52.8 | 176.7 | -157.7 | -30.5 | 0 | 0 | 0 | 113.2 | W520 L558 H562 S563 | W520-N560 VanDerWaalsContact CH2-ND2 3.31Å; W520-N560 WeakPolarHBondContact CH2-ND2 3.49Å; L558-N560 PolarHBondContact O-N 3.32Å; N560-H562 PolarHBondContact O-N 3.29Å; N560-H562 VanDerWaalsContact O-N 3.13Å; N560-H562 PolarHBondContact OD1-CE1 3.45Å; N560-H562 PolarHBondContact OD1-ND1 2.82Å; N560-H562 PolarHBondContact OD1-NE2 2.86Å; N560-S563 WeakPolarHBondContact O-CB 3.46Å; N560-S563 PolarHBondContact O-N 2.89Å; N560-S563 VanDerWaalsContact OD1-CB 3.29Å; N560-S563 WeakPolarHBondContact OD1-CB 3.46Å; N560-S563 PolarHBondContact OD1-OG 2.66Å |
| 561 | C | 90.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -55.6 | -37.3 | -169 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | L558 D559 S563 T564 A587 E588 L589 | L558-C561 HydrophobicContact CB-CB 3.93Å; D559-C561 VanDerWaalsContact C-N 3.29Å; D559-C561 PolarHBondContact O-N 2.81Å; C561-S563 PolarHBondContact O-N 2.9Å; C561-T564 PolarHBondContact O-N 2.62Å; C561-T564 VanDerWaalsContact O-N 3.15Å; C561-A587 HydrophobicContact CB-CB 4.04Å; C561-E588 WeakPolarHBondContact CB-O 3.47Å; C561-E588 PolarHBondContact N-O 2.71Å; C561-E588 VanDerWaalsContact N-O 3.08Å; C561-L589 HydrophobicContact CB-CD1 4.17Å |
| 562 | H | 85.2 | Confident | 92.9 | Very high | 42 Ų | 42 | 16.5 Ų | 16.5 | 19% | 0.194 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -65.4 | -17.1 | 178.2 | 57.6 | -80.7 | 0 | 0 | 0 | 114.4 | P504 N560 L589 | P504-H562 HydrophobicContact CB-CB 3.82Å; N560-H562 PolarHBondContact O-N 3.29Å; N560-H562 VanDerWaalsContact O-N 3.13Å; N560-H562 PolarHBondContact OD1-CE1 3.45Å; N560-H562 PolarHBondContact OD1-ND1 2.82Å; N560-H562 PolarHBondContact OD1-NE2 2.86Å; H562-L589 HydrophobicContact CB-CD1 3.82Å |
| 563 | S | 84 | Confident | 93 | Very high | 10 Ų | 10 | 16.3 Ų | 16.3 | 7% | 0.07 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -90.4 | -5.5 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | K525 N560 C561 | K525-S563 PolarHBondContact NZ-O 3.36Å; N560-S563 WeakPolarHBondContact O-CB 3.46Å; N560-S563 PolarHBondContact O-N 2.89Å; N560-S563 VanDerWaalsContact OD1-CB 3.29Å; N560-S563 WeakPolarHBondContact OD1-CB 3.46Å; N560-S563 PolarHBondContact OD1-OG 2.66Å; C561-S563 PolarHBondContact O-N 2.9Å |
| 564 | T | 89.3 | Confident | 92.8 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -97.7 | 125 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | W235 C561 I566 V568 A569 | W235-T564 HydrophobicContact CB-CG2 4.08Å; W235-T564 HydrophobicContact CE3-CG2 4.23Å; C561-T564 PolarHBondContact O-N 2.62Å; C561-T564 VanDerWaalsContact O-N 3.15Å; T564-I566 PolarHBondContact O-N 2.9Å; T564-V568 HydrophobicContact CG2-CB 4.32Å; T564-V568 HydrophobicContact CG2-CG1 4.28Å; T564-A569 HydrophobicContact CG2-CB 4.03Å |
| 565 | P | 90.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 20 Ų | 20 | 16% | 0.156 | 10% | 0.098 | C | C | . | . | trans | -52.7 | 130.2 | 175.9 | -26.2 | 34.5 | 0 | 0 | 0 | 111.1 | N507 H567 V568 A569 | N507-P565 HydrophobicContact CB-CG 4.44Å; P565-H567 VanDerWaalsContact CB-CE1 3.48Å; P565-H567 WeakPolarHBondContact CB-CE1 3.31Å; P565-H567 PolarHBondContact O-N 3.11Å; P565-H567 VanDerWaalsContact O-N 3.16Å; P565-V568 HydrophobicContact CB-CB 4.47Å; P565-V568 HydrophobicContact CB-CG2 4.04Å; P565-V568 HydrophobicContact CG-CG2 4.44Å; P565-V568 WeakPolarHBondContact O-CB 3.46Å; P565-V568 PolarHBondContact O-N 2.85Å; P565-A569 PolarHBondContact O-N 3.13Å; P565-A569 VanDerWaalsContact O-N 3.1Å | ||
| 566 | I | 92 | Very high | 92.7 | Very high | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.097 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -33.8 | -168 | -165.6 | 166.9 | 0 | 0 | 0 | 113.1 | L505 T564 V568 A569 Q570 I599 F600 R603 L604 | L505-I566 HydrophobicContact CD2-CD1 4.41Å; T564-I566 PolarHBondContact O-N 2.9Å; I566-V568 VanDerWaalsContact C-N 3.35Å; I566-A569 PolarHBondContact O-N 2.82Å; I566-Q570 VanDerWaalsContact O-CB 3.23Å; I566-Q570 WeakPolarHBondContact O-CB 3.23Å; I566-Q570 PolarHBondContact O-N 2.98Å; I566-I599 HydrophobicContact CD1-CG2 4.05Å; I566-F600 HydrophobicContact CB-CE1 4.28Å; I566-F600 HydrophobicContact CD1-CD1 4.07Å; I566-F600 HydrophobicContact CD1-CD2 4.29Å; I566-F600 HydrophobicContact CD1-CE1 4.25Å; I566-F600 HydrophobicContact CD1-CE2 4.48Å; I566-F600 HydrophobicContact CD1-CG 4.08Å; I566-F600 HydrophobicContact CD1-CZ 4.44Å; I566-F600 HydrophobicContact CG1-CD1 4.27Å; I566-F600 HydrophobicContact CG1-CE1 4.28Å; I566-R603 HydrophobicContact CD1-CB 4.06Å; I566-R603 HydrophobicContact CD1-CG 4.42Å; I566-R603 HydrophobicContact CG1-CB 4.4Å; I566-L604 HydrophobicContact CG1-CD2 3.99Å; I566-L604 HydrophobicContact CG1-CG 4.27Å |
| 567 | H | 91.6 | Very high | 92.6 | Very high | 72 Ų | 72 | 21.5 Ų | 21.5 | 33% | 0.333 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 177.6 | 67.3 | -72.1 | 0 | 0 | 0 | 112.4 | G529 K530 P565 Y571 | G529-H567 PolarHBondContact O-NE2 2.97Å; K530-H567 PolarHBondContact O-CD2 3.28Å; K530-H567 PolarHBondContact O-NE2 2.88Å; P565-H567 VanDerWaalsContact CB-CE1 3.48Å; P565-H567 WeakPolarHBondContact CB-CE1 3.31Å; P565-H567 PolarHBondContact O-N 3.11Å; P565-H567 VanDerWaalsContact O-N 3.16Å; H567-Y571 WeakPolarHBondContact O-CB 3.03Å; H567-Y571 PolarHBondContact O-N 3.41Å |
| 568 | V | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68 | -51.4 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | Y528 W539 T564 P565 I566 Q570 Y571 L572 | Y528-V568 HydrophobicContact CD1-CG1 3.64Å; Y528-V568 HydrophobicContact CD1-CG2 4.19Å; Y528-V568 HydrophobicContact CD2-CG1 3.93Å; Y528-V568 HydrophobicContact CD2-CG2 4.09Å; Y528-V568 HydrophobicContact CE1-CG1 3.62Å; Y528-V568 HydrophobicContact CE2-CG1 3.92Å; Y528-V568 HydrophobicContact CG-CB 4.42Å; Y528-V568 HydrophobicContact CG-CG1 3.78Å; Y528-V568 HydrophobicContact CG-CG2 3.7Å; W539-V568 HydrophobicContact CH2-CB 4.47Å; W539-V568 HydrophobicContact CH2-CG2 3.98Å; W539-V568 HydrophobicContact CZ2-CG2 4.04Å; T564-V568 HydrophobicContact CG2-CB 4.32Å; T564-V568 HydrophobicContact CG2-CG1 4.28Å; P565-V568 HydrophobicContact CB-CB 4.47Å; P565-V568 HydrophobicContact CB-CG2 4.04Å; P565-V568 HydrophobicContact CG-CG2 4.44Å; P565-V568 WeakPolarHBondContact O-CB 3.46Å; P565-V568 PolarHBondContact O-N 2.85Å; I566-V568 VanDerWaalsContact C-N 3.35Å; V568-Q570 VanDerWaalsContact C-N 3.26Å; V568-Q570 PolarHBondContact O-N 3.22Å; V568-Y571 PolarHBondContact O-N 3.32Å; V568-L572 HydrophobicContact CG1-CD1 3.78Å; V568-L572 HydrophobicContact CG1-CG 4.41Å; V568-L572 WeakPolarHBondContact O-CG 3.23Å; V568-L572 PolarHBondContact O-N 2.85Å |
| 569 | A | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W235 T564 P565 I566 L572 L573 L604 | W235-A569 HydrophobicContact CE3-CB 4.12Å; W235-A569 HydrophobicContact CZ3-CB 3.87Å; T564-A569 HydrophobicContact CG2-CB 4.03Å; P565-A569 PolarHBondContact O-N 3.13Å; P565-A569 VanDerWaalsContact O-N 3.1Å; I566-A569 PolarHBondContact O-N 2.82Å; A569-L572 PolarHBondContact O-N 3.19Å; A569-L573 WeakPolarHBondContact O-CB 3.44Å; A569-L573 VanDerWaalsContact O-CG 3.31Å; A569-L573 WeakPolarHBondContact O-CG 3.48Å; A569-L573 PolarHBondContact O-N 2.79Å; A569-L604 HydrophobicContact CB-CD1 3.98Å; A569-L604 HydrophobicContact CB-CD2 3.65Å; A569-L604 HydrophobicContact CB-CG 4.5Å |
| 570 | Q | 94.6 | Very high | 92.9 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 16% | 0.159 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 177.2 | -176.5 | 167 | 47.3 | 0 | 0 | 111.8 | I566 V568 N574 R603 L604 | I566-Q570 VanDerWaalsContact O-CB 3.23Å; I566-Q570 WeakPolarHBondContact O-CB 3.23Å; I566-Q570 PolarHBondContact O-N 2.98Å; V568-Q570 VanDerWaalsContact C-N 3.26Å; V568-Q570 PolarHBondContact O-N 3.22Å; Q570-N574 WeakPolarHBondContact O-CB 3.38Å; Q570-N574 PolarHBondContact O-N 2.92Å; Q570-N574 PolarHBondContact O-ND2 2.86Å; Q570-N574 PolarHBondContact O-OD1 2.79Å; Q570-R603 PolarHBondContact NE2-O 3.5Å; Q570-L604 HydrophobicContact CB-CD2 3.81Å; Q570-L604 VanDerWaalsContact N-CD2 3.28Å |
| 571 | Y | 95 | Very high | 93.3 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 31% | 0.306 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 177.3 | 174.7 | -86.7 | 0 | 0 | 0 | 111.8 | W539 T543 H567 V568 L573 N574 E575 | W539-Y571 AromaticContact CE3-CD1 3.64Å; W539-Y571 HydrophobicContact CE3-CD1 3.64Å; W539-Y571 AromaticContact CE3-CE1 3.78Å; W539-Y571 HydrophobicContact CE3-CE1 3.78Å; W539-Y571 HydrophobicContact CE3-CG 4.11Å; W539-Y571 AromaticContact CZ3-CD1 3.45Å; W539-Y571 HydrophobicContact CZ3-CD1 3.45Å; W539-Y571 VanDerWaalsContact CZ3-CD1 3.45Å; W539-Y571 HydrophobicContact CZ3-CD2 4.1Å; W539-Y571 HydrophobicContact CZ3-CE1 4.04Å; W539-Y571 AromaticContact CZ3-CG 3.49Å; W539-Y571 HydrophobicContact CZ3-CG 3.49Å; W539-Y571 VanDerWaalsContact CZ3-CG 3.49Å; T543-Y571 WeakPolarHBondContact OG1-CE1 3.4Å; H567-Y571 WeakPolarHBondContact O-CB 3.03Å; H567-Y571 PolarHBondContact O-N 3.41Å; V568-Y571 PolarHBondContact O-N 3.32Å; Y571-L573 PolarHBondContact O-N 3.29Å; Y571-N574 WeakPolarHBondContact O-CB 3.31Å; Y571-N574 PolarHBondContact O-N 2.9Å; Y571-N574 VanDerWaalsContact O-N 3.11Å; Y571-E575 HydrophobicContact CD1-CG 4.19Å; Y571-E575 HydrophobicContact CE1-CG 3.72Å; Y571-E575 PolarHBondContact O-N 3.11Å |
| 572 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -38.8 | -176.7 | -66.5 | 173.3 | 0 | 0 | 0 | 111.8 | W235 M542 T546 V568 A569 N574 E575 A576 | W235-L572 HydrophobicContact CB-CD1 4.16Å; W235-L572 HydrophobicContact CD2-CB 4.29Å; W235-L572 HydrophobicContact CD2-CD1 3.54Å; W235-L572 HydrophobicContact CE3-CD1 4.15Å; W235-L572 HydrophobicContact CG-CD1 3.53Å; W235-L572 HydrophobicContact CH2-CB 4Å; W235-L572 HydrophobicContact CZ2-CB 3.7Å; W235-L572 HydrophobicContact CZ2-CD1 4.39Å; W235-L572 HydrophobicContact CZ3-CB 4.39Å; M542-L572 HydrophobicContact CB-CD1 4.43Å; M542-L572 HydrophobicContact CB-CD2 4.2Å; T546-L572 HydrophobicContact CG2-CB 4.3Å; T546-L572 VanDerWaalsContact CG2-O 3.3Å; T546-L572 WeakPolarHBondContact CG2-O 3.24Å; V568-L572 HydrophobicContact CG1-CD1 3.78Å; V568-L572 HydrophobicContact CG1-CG 4.41Å; V568-L572 WeakPolarHBondContact O-CG 3.23Å; V568-L572 PolarHBondContact O-N 2.85Å; A569-L572 PolarHBondContact O-N 3.19Å; L572-N574 VanDerWaalsContact C-N 3.32Å; L572-N574 PolarHBondContact O-N 2.77Å; L572-E575 PolarHBondContact O-N 3.48Å; L572-A576 PolarHBondContact O-N 2.97Å |
| 573 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 172.6 | -74.2 | 172.8 | 0 | 0 | 0 | 112.8 | W235 F556 L558 A569 Y571 A576 R577 L583 V585 L604 | W235-L573 HydrophobicContact CH2-CD2 3.78Å; W235-L573 HydrophobicContact CH2-CG 3.71Å; W235-L573 HydrophobicContact CZ3-CG 4.22Å; F556-L573 HydrophobicContact CD2-CD2 3.96Å; F556-L573 HydrophobicContact CE2-CD2 4.47Å; L558-L573 HydrophobicContact CD1-CD1 4.14Å; L558-L573 HydrophobicContact CD2-CD2 4.4Å; A569-L573 WeakPolarHBondContact O-CB 3.44Å; A569-L573 VanDerWaalsContact O-CG 3.31Å; A569-L573 WeakPolarHBondContact O-CG 3.48Å; A569-L573 PolarHBondContact O-N 2.79Å; Y571-L573 PolarHBondContact O-N 3.29Å; L573-A576 WeakPolarHBondContact O-CB 3.49Å; L573-A576 PolarHBondContact O-N 3.16Å; L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.36Å; L573-L583 HydrophobicContact CD2-CD2 4.32Å; L573-V585 HydrophobicContact CD2-CG1 4.27Å; L573-V585 HydrophobicContact CD2-CG2 3.92Å; L573-L604 HydrophobicContact CD1-CB 3.71Å; L573-L604 HydrophobicContact CD1-CD2 4.32Å; L573-L604 HydrophobicContact CD1-CG 4.45Å; L573-L604 VanDerWaalsContact CD1-O 3.26Å; L573-L604 WeakPolarHBondContact CD1-O 3.36Å |
| 574 | N | 94 | Very high | 94.6 | Very high | 68 Ų | 68 | 36 Ų | 36 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 174.3 | -69.6 | -14.5 | 0 | 0 | 0 | 111.2 | Q570 Y571 L572 A576 R577 K578 | Q570-N574 WeakPolarHBondContact O-CB 3.38Å; Q570-N574 PolarHBondContact O-N 2.92Å; Q570-N574 PolarHBondContact O-ND2 2.86Å; Q570-N574 PolarHBondContact O-OD1 2.79Å; Y571-N574 WeakPolarHBondContact O-CB 3.31Å; Y571-N574 PolarHBondContact O-N 2.9Å; Y571-N574 VanDerWaalsContact O-N 3.11Å; L572-N574 VanDerWaalsContact C-N 3.32Å; L572-N574 PolarHBondContact O-N 2.77Å; N574-A576 VanDerWaalsContact C-N 3.31Å; N574-A576 PolarHBondContact O-N 3.18Å; N574-R577 PolarHBondContact O-N 3.22Å; N574-K578 WeakPolarHBondContact O-CG 2.87Å; N574-K578 PolarHBondContact O-N 2.85Å |
| 575 | E | 95.8 | Very high | 95 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 172.3 | -68.9 | -56.2 | 130.2 | 0 | 0 | 112.5 | T543 Q547 Y571 L572 K578 | T543-E575 HydrophobicContact CG2-CB 4.25Å; T543-E575 HydrophobicContact CG2-CG 3.95Å; Q547-E575 HydrophobicContact CG-CB 4.45Å; Q547-E575 PolarHBondContact NE2-OE2 3.2Å; Q547-E575 VanDerWaalsContact NE2-OE2 3.09Å; Y571-E575 HydrophobicContact CD1-CG 4.19Å; Y571-E575 HydrophobicContact CE1-CG 3.72Å; Y571-E575 PolarHBondContact O-N 3.11Å; L572-E575 PolarHBondContact O-N 3.48Å; E575-K578 PolarHBondContact O-N 3.37Å; E575-K578 WeakPolarHBondContact OE1-CE 3.32Å; E575-K578 IonicContact OE1-NZ 3.37Å; E575-K578 PolarHBondContact OE1-NZ 3.41Å; E575-K578 IonicContact OE2-NZ 2.74Å |
| 576 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | T546 A550 F556 L572 L573 N574 K578 V579 R580 L583 | T546-A576 HydrophobicContact CG2-CB 3.8Å; A550-A576 HydrophobicContact CB-CB 4.05Å; F556-A576 HydrophobicContact CE2-CB 3.5Å; F556-A576 HydrophobicContact CZ-CB 3.93Å; L572-A576 PolarHBondContact O-N 2.97Å; L573-A576 WeakPolarHBondContact O-CB 3.49Å; L573-A576 PolarHBondContact O-N 3.16Å; N574-A576 VanDerWaalsContact C-N 3.31Å; N574-A576 PolarHBondContact O-N 3.18Å; A576-K578 VanDerWaalsContact C-N 3.31Å; A576-K578 PolarHBondContact O-N 3.09Å; A576-V579 WeakPolarHBondContact O-CB 3.36Å; A576-V579 PolarHBondContact O-N 3.28Å; A576-R580 PolarHBondContact O-N 3.24Å; A576-L583 HydrophobicContact CB-CD2 3.53Å |
| 577 | R | 95.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 12% | 0.121 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.7 | -26.5 | 179.3 | -73.6 | 178.1 | -172 | 112.7 | 5.5 | 113.8 | L573 N574 V579 R580 S581 L583 L604 G605 | L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.36Å; N574-R577 PolarHBondContact O-N 3.22Å; R577-V579 PolarHBondContact O-N 2.93Å; R577-R580 WeakPolarHBondContact CA-O 3.44Å; R577-R580 CarbonylContact O-C 3.38Å; R577-R580 VanDerWaalsContact O-C 3.25Å; R577-R580 PolarHBondContact O-N 3.11Å; R577-S581 WeakPolarHBondContact O-CA 3.45Å; R577-S581 PolarHBondContact O-N 3.35Å; R577-L583 HydrophobicContact CG-CB 4.24Å; R577-L583 HydrophobicContact CG-CD2 4.37Å; R577-L604 VanDerWaalsContact CZ-O 3.31Å; R577-L604 PolarHBondContact NH1-O 3.4Å; R577-L604 PolarHBondContact NH2-O 3Å; R577-G605 PolarHBondContact NH2-O 3.3Å |
| 578 | K | 94.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 31.4 Ų | 31.4 | 67% | 0.665 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -62.7 | -31.3 | 168.9 | -71.3 | 174.5 | -175.3 | 176.3 | 0 | 112.3 | N574 E575 A576 | N574-K578 WeakPolarHBondContact O-CG 2.87Å; N574-K578 PolarHBondContact O-N 2.85Å; E575-K578 PolarHBondContact O-N 3.37Å; E575-K578 WeakPolarHBondContact OE1-CE 3.32Å; E575-K578 IonicContact OE1-NZ 3.37Å; E575-K578 PolarHBondContact OE1-NZ 3.41Å; E575-K578 IonicContact OE2-NZ 2.74Å; A576-K578 VanDerWaalsContact C-N 3.31Å; A576-K578 PolarHBondContact O-N 3.09Å |
| 579 | V | 96.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 31% | 0.309 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -82.8 | -43.2 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | Q547 A550 R551 A576 R577 | Q547-V579 HydrophobicContact CB-CG2 3.92Å; Q547-V579 HydrophobicContact CG-CG2 3.83Å; A550-V579 HydrophobicContact CB-CB 4.07Å; A550-V579 HydrophobicContact CB-CG1 4.02Å; R551-V579 HydrophobicContact CB-CG1 4.3Å; R551-V579 HydrophobicContact CG-CG1 3.39Å; A576-V579 WeakPolarHBondContact O-CB 3.36Å; A576-V579 PolarHBondContact O-N 3.28Å; R577-V579 PolarHBondContact O-N 2.93Å |
| 580 | R | 94.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | trans | -136.3 | 103 | -178.4 | -177 | 176.2 | -69.1 | -86.3 | 3 | 110.2 | A550 F553 A576 R577 E582 L583 | A550-R580 PolarHBondContact O-NE 2.87Å; A550-R580 VanDerWaalsContact O-NE 3.17Å; F553-R580 PolarHBondContact O-NE 2.73Å; A576-R580 PolarHBondContact O-N 3.24Å; R577-R580 WeakPolarHBondContact CA-O 3.44Å; R577-R580 CarbonylContact O-C 3.38Å; R577-R580 VanDerWaalsContact O-C 3.25Å; R577-R580 PolarHBondContact O-N 3.11Å; R580-E582 VanDerWaalsContact C-N 3.31Å; R580-E582 PolarHBondContact O-N 3.39Å; R580-L583 WeakPolarHBondContact O-CB 3.42Å; R580-L583 PolarHBondContact O-N 2.96Å | ||
| 581 | S | 93.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 54% | 0.538 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -36.1 | -177.3 | 62 | 0 | 0 | 0 | 0 | 113.1 | R577 L583 | R577-S581 WeakPolarHBondContact O-CA 3.45Å; R577-S581 PolarHBondContact O-N 3.35Å; S581-L583 PolarHBondContact O-N 2.88Å |
| 582 | E | 94.7 | Very high | 92.9 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 32.3 | 177.8 | -52.8 | -51.5 | 117.7 | 0 | 0 | 112.9 | K34 P128 M129 L130 R580 Y584 | K34-E582 WeakPolarHBondContact CE-OE2 3.33Å; K34-E582 IonicContact NZ-OE1 3.37Å; K34-E582 PolarHBondContact NZ-OE1 3.49Å; K34-E582 IonicContact NZ-OE2 3.89Å; K34-E582 PolarHBondContact NZ-OE2 3.2Å; P128-E582 WeakPolarHBondContact CA-OE2 3.44Å; P128-E582 HydrophobicContact CB-CB 4.24Å; M129-E582 PolarHBondContact N-OE2 2.87Å; L130-E582 HydrophobicContact CD2-CB 4.15Å; L130-E582 VanDerWaalsContact CD2-O 3.25Å; L130-E582 WeakPolarHBondContact CD2-O 3.08Å; R580-E582 VanDerWaalsContact C-N 3.31Å; R580-E582 PolarHBondContact O-N 3.39Å; E582-Y584 PolarHBondContact O-N 3.46Å |
| 583 | L | 96.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -62.3 | 120.2 | -178.6 | -173.6 | 75.3 | 0 | 0 | 0 | 110.7 | F556 L573 A576 R577 R580 S581 V585 | F556-L583 HydrophobicContact CD1-CD1 4.47Å; F556-L583 HydrophobicContact CD2-CD2 3.99Å; F556-L583 HydrophobicContact CE1-CD1 4.34Å; F556-L583 HydrophobicContact CE2-CD2 3.98Å; F556-L583 HydrophobicContact CZ-CD1 4.44Å; L573-L583 HydrophobicContact CD2-CD2 4.32Å; A576-L583 HydrophobicContact CB-CD2 3.53Å; R577-L583 HydrophobicContact CG-CB 4.24Å; R577-L583 HydrophobicContact CG-CD2 4.37Å; R580-L583 WeakPolarHBondContact O-CB 3.42Å; R580-L583 PolarHBondContact O-N 2.96Å; S581-L583 PolarHBondContact O-N 2.88Å; L583-V585 HydrophobicContact CD2-CG2 3.97Å; L583-V585 HydrophobicContact CG-CG2 4.13Å | ||
| 584 | Y | 97.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.3 | 169.6 | -179.2 | -101.6 | 0 | 0 | 0 | 110.6 | L130 L141 M144 I230 H554 G555 F556 E582 C586 N607 A608 M653 | L130-Y584 HydrophobicContact CD1-CD2 4.2Å; L130-Y584 HydrophobicContact CD1-CG 4.39Å; L141-Y584 HydrophobicContact CD2-CD2 3.92Å; L141-Y584 HydrophobicContact CD2-CE2 4.04Å; M144-Y584 HydrophobicContact CE-CD1 4.43Å; M144-Y584 HydrophobicContact CE-CD2 3.64Å; M144-Y584 HydrophobicContact CE-CE2 3.72Å; M144-Y584 HydrophobicContact CE-CG 4Å; M144-Y584 HydrophobicContact SD-CD1 4.36Å; M144-Y584 HydrophobicContact SD-CD2 3.97Å; M144-Y584 HydrophobicContact SD-CE1 3.88Å; M144-Y584 HydrophobicContact SD-CE2 3.43Å; M144-Y584 WeakPolarHBondContact SD-CE2 3.46Å; M144-Y584 HydrophobicContact SD-CG 4.38Å; I230-Y584 HydrophobicContact CG2-CD1 4.22Å; H554-Y584 PolarHBondContact O-N 2.97Å; G555-Y584 CarbonylContact C-O 3.57Å; G555-Y584 WeakPolarHBondContact CA-O 2.97Å; F556-Y584 PolarHBondContact N-O 2.86Å; E582-Y584 PolarHBondContact O-N 3.46Å; Y584-C586 HydrophobicContact CE1-CB 3.9Å; Y584-N607 WeakPolarHBondContact CA-OD1 3.09Å; Y584-N607 HydrophobicContact CD2-CB 3.94Å; Y584-N607 HydrophobicContact CE2-CB 3.74Å; Y584-A608 WeakPolarHBondContact OH-CB 3.48Å; Y584-M653 HydrophobicContact CE1-CE 3.91Å; Y584-M653 WeakPolarHBondContact OH-CE 3.39Å |
| 585 | V | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.2 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | F556 L558 L573 L583 I606 N607 A608 | F556-V585 WeakPolarHBondContact O-CA 3.45Å; L558-V585 HydrophobicContact CD1-CG1 3.82Å; L558-V585 HydrophobicContact CD2-CG1 4.4Å; L558-V585 HydrophobicContact CG-CG1 3.88Å; L573-V585 HydrophobicContact CD2-CG1 4.27Å; L573-V585 HydrophobicContact CD2-CG2 3.92Å; L583-V585 HydrophobicContact CD2-CG2 3.97Å; L583-V585 HydrophobicContact CG-CG2 4.13Å; V585-I606 HydrophobicContact CG1-CG1 4.14Å; V585-N607 PolarHBondContact N-OD1 2.86Å; V585-N607 WeakPolarHBondContact O-CA 3.28Å; V585-N607 WeakPolarHBondContact O-CB 3.48Å; V585-N607 PolarHBondContact O-N 2.84Å; V585-A608 PolarHBondContact O-N 3.36Å |
| 586 | C | 96.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 152.5 | 163.5 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | F556 R557 L558 Y584 A608 | F556-C586 PolarHBondContact O-N 3.27Å; R557-C586 CarbonylContact C-O 3.06Å; R557-C586 WeakPolarHBondContact CA-O 3.36Å; L558-C586 PolarHBondContact N-O 3.42Å; Y584-C586 HydrophobicContact CE1-CB 3.9Å; C586-A608 CarbonylContact C-O 3.58Å; C586-A608 WeakPolarHBondContact CA-O 3.39Å; C586-A608 HydrophobicContact CB-CB 4.37Å |
| 587 | A | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L558 C561 L589 I606 A608 L609 V610 | L558-A587 HydrophobicContact CB-CB 3.92Å; L558-A587 HydrophobicContact CD1-CB 4.21Å; L558-A587 HydrophobicContact CG-CB 4.33Å; C561-A587 HydrophobicContact CB-CB 4.04Å; A587-L589 PolarHBondContact O-N 2.78Å; A587-I606 HydrophobicContact CB-CD1 3.64Å; A587-I606 HydrophobicContact CB-CG1 4.06Å; A587-I606 HydrophobicContact CB-CG2 3.89Å; A587-A608 PolarHBondContact N-O 2.94Å; A587-L609 HydrophobicContact CB-CD2 4.2Å; A587-L609 WeakPolarHBondContact O-CA 2.96Å; A587-V610 PolarHBondContact O-N 3Å |
| 588 | E | 91.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 11% | 0.112 | 23% | 0.233 | C | C | . | . | trans | -82.1 | 103.8 | 161.9 | -174.5 | -167.8 | 154.5 | 0 | 0 | 108.7 | R557 L558 C561 F590 | R557-E588 IonicContact CZ-OE2 2.72Å; R557-E588 IonicContact NH1-OE2 3.64Å; R557-E588 IonicContact NH2-OE2 2.77Å; R557-E588 PolarHBondContact NH2-OE2 2.86Å; L558-E588 PolarHBondContact O-N 2.93Å; C561-E588 WeakPolarHBondContact CB-O 3.47Å; C561-E588 PolarHBondContact N-O 2.71Å; C561-E588 VanDerWaalsContact N-O 3.08Å; E588-F590 HydrophobicContact CG-CD2 3.9Å; E588-F590 HydrophobicContact CG-CE2 3.23Å; E588-F590 HydrophobicContact CG-CZ 3.76Å; E588-F590 VanDerWaalsContact OE1-CE2 3.24Å; E588-F590 WeakPolarHBondContact OE1-CE2 3.34Å | ||
| 589 | L | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -134.2 | 112.3 | -175.8 | -169.5 | 71 | 0 | 0 | 0 | 110.1 | C561 H562 A587 T591 D597 F600 L609 R611 | C561-L589 HydrophobicContact CB-CD1 4.17Å; H562-L589 HydrophobicContact CB-CD1 3.82Å; A587-L589 PolarHBondContact O-N 2.78Å; L589-T591 HydrophobicContact CD1-CG2 4.1Å; L589-T591 HydrophobicContact CG-CG2 4.1Å; L589-D597 HydrophobicContact CD2-CB 4.1Å; L589-F600 HydrophobicContact CD1-CB 4.34Å; L589-F600 HydrophobicContact CD1-CD1 4.05Å; L589-F600 HydrophobicContact CD1-CD2 4.32Å; L589-F600 HydrophobicContact CD1-CE1 4.45Å; L589-F600 HydrophobicContact CD1-CG 3.99Å; L589-F600 HydrophobicContact CD2-CB 3.59Å; L589-F600 HydrophobicContact CD2-CG 4.09Å; L589-L609 HydrophobicContact CB-CD2 3.86Å; L589-L609 HydrophobicContact CD2-CD2 4.07Å; L589-R611 PolarHBondContact O-NH1 3.31Å | ||
| 590 | F | 77.3 | Confident | 91.3 | Very high | 95 Ų | 95 | 33.6 Ų | 33.6 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | trans | -122.6 | 81.3 | -178.7 | -56.9 | -61 | 0 | 0 | 0 | 109.4 | E588 | E588-F590 HydrophobicContact CG-CD2 3.9Å; E588-F590 HydrophobicContact CG-CE2 3.23Å; E588-F590 HydrophobicContact CG-CZ 3.76Å; E588-F590 VanDerWaalsContact OE1-CE2 3.24Å; E588-F590 WeakPolarHBondContact OE1-CE2 3.34Å | ||
| 591 | T | 78.9 | Confident | 91.3 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 17% | 0.172 | 18% | 0.178 | C | C | . | . | trans | -97.9 | 167.8 | 171.4 | 81.9 | 0 | 0 | 0 | 0 | 110.6 | P504 L589 S593 V596 D597 | P504-T591 HydrophobicContact CB-CG2 4.08Å; P504-T591 HydrophobicContact CG-CG2 3.69Å; L589-T591 HydrophobicContact CD1-CG2 4.1Å; L589-T591 HydrophobicContact CG-CG2 4.1Å; T591-S593 PolarHBondContact O-N 2.89Å; T591-S593 PolarHBondContact OG1-N 3.28Å; T591-S593 PolarHBondContact OG1-O 2.66Å; T591-V596 HydrophobicContact CG2-CG1 4.05Å; T591-D597 VanDerWaalsContact CB-OD1 3.24Å; T591-D597 WeakPolarHBondContact CB-OD1 3.49Å; T591-D597 WeakPolarHBondContact CG2-OD1 3.02Å; T591-D597 PolarHBondContact N-OD1 3.47Å; T591-D597 PolarHBondContact OG1-OD1 3.32Å | ||
| 592 | S | 77.2 | Confident | 91.4 | Very high | 119 Ų | 119 | 26.5 Ų | 26.5 | 83% | 0.832 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -81.5 | 3.7 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 593 | S | 86.1 | Confident | 91.4 | Very high | 47 Ų | 47 | 28.1 Ų | 28.1 | 33% | 0.329 | 16% | 0.157 | S | C | . | . | trans | -153.2 | 126.5 | -172.7 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | T591 A595 V596 D597 | T591-S593 PolarHBondContact O-N 2.89Å; T591-S593 PolarHBondContact OG1-N 3.28Å; T591-S593 PolarHBondContact OG1-O 2.66Å; S593-A595 PolarHBondContact O-N 3.5Å; S593-A595 PolarHBondContact OG-N 3.14Å; S593-V596 WeakPolarHBondContact O-CA 3.22Å; S593-V596 PolarHBondContact O-N 3.17Å; S593-D597 PolarHBondContact O-N 3.22Å | ||
| 594 | E | 88.4 | Confident | 91.4 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 38% | 0.379 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.4 | -31.9 | 172.7 | -177.5 | 164.2 | -150.8 | 0 | 0 | 112.3 | V596 D597 N598 R628 | E594-V596 VanDerWaalsContact C-N 3.29Å; E594-V596 PolarHBondContact O-N 2.86Å; E594-D597 PolarHBondContact O-N 3.03Å; E594-N598 WeakPolarHBondContact O-CB 3.27Å; E594-N598 PolarHBondContact O-N 2.89Å; E594-N598 PolarHBondContact O-ND2 3.31Å; E594-R628 IonicContact OE1-NH2 3.75Å; E594-R628 PolarHBondContact OE1-NH2 2.65Å; E594-R628 IonicContact OE2-CZ 3.73Å; E594-R628 IonicContact OE2-NH2 3.97Å; E594-R628 PolarHBondContact OE2-NH2 2.79Å |
| 595 | A | 91.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 31% | 0.306 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | T27 S593 I599 | T27-A595 HydrophobicContact CG2-CB 4.23Å; S593-A595 PolarHBondContact O-N 3.5Å; S593-A595 PolarHBondContact OG-N 3.14Å; A595-I599 WeakPolarHBondContact O-CG1 3.31Å; A595-I599 PolarHBondContact O-N 3.3Å |
| 596 | V | 91.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.4 | -39.8 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | P504 L505 T591 S593 E594 N598 I599 F600 | P504-V596 HydrophobicContact CG-CG1 3.67Å; L505-V596 HydrophobicContact CD1-CG1 4.38Å; L505-V596 HydrophobicContact CG-CG1 4.23Å; T591-V596 HydrophobicContact CG2-CG1 4.05Å; S593-V596 WeakPolarHBondContact O-CA 3.22Å; S593-V596 PolarHBondContact O-N 3.17Å; E594-V596 VanDerWaalsContact C-N 3.29Å; E594-V596 PolarHBondContact O-N 2.86Å; V596-N598 PolarHBondContact O-N 2.66Å; V596-I599 WeakPolarHBondContact O-CB 3.41Å; V596-I599 PolarHBondContact O-N 3.07Å; V596-I599 VanDerWaalsContact O-N 3.09Å; V596-F600 HydrophobicContact CG1-CD2 4.45Å; V596-F600 HydrophobicContact CG1-CE2 4.36Å; V596-F600 PolarHBondContact O-N 3.42Å |
| 597 | D | 92.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 28 Ų | 28 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.8 | -46.6 | 170.2 | -78.6 | 2.3 | 0 | 0 | 0 | 110.5 | L589 T591 S593 E594 I599 F600 V601 L609 R611 | L589-D597 HydrophobicContact CD2-CB 4.1Å; T591-D597 VanDerWaalsContact CB-OD1 3.24Å; T591-D597 WeakPolarHBondContact CB-OD1 3.49Å; T591-D597 WeakPolarHBondContact CG2-OD1 3.02Å; T591-D597 PolarHBondContact N-OD1 3.47Å; T591-D597 PolarHBondContact OG1-OD1 3.32Å; S593-D597 PolarHBondContact O-N 3.22Å; E594-D597 PolarHBondContact O-N 3.03Å; D597-I599 VanDerWaalsContact C-N 3.3Å; D597-I599 PolarHBondContact O-N 3.32Å; D597-F600 WeakPolarHBondContact O-CB 3.47Å; D597-F600 PolarHBondContact O-N 2.98Å; D597-F600 VanDerWaalsContact O-N 3.13Å; D597-V601 WeakPolarHBondContact O-CB 3.44Å; D597-V601 VanDerWaalsContact O-CG2 3.26Å; D597-V601 WeakPolarHBondContact O-CG2 3.46Å; D597-V601 PolarHBondContact O-N 2.75Å; D597-L609 HydrophobicContact CB-CD1 4.32Å; D597-R611 IonicContact OD2-NH2 3.92Å; D597-R611 PolarHBondContact OD2-NH2 3.29Å; D597-R611 VanDerWaalsContact OD2-NH2 3.08Å |
| 598 | N | 94.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -32.3 | 179.5 | -72.8 | -13.8 | 0 | 0 | 0 | 113.1 | T27 L29 E594 V596 V601 N602 | T27-N598 VanDerWaalsContact O-CB 3.31Å; T27-N598 WeakPolarHBondContact O-CB 3.29Å; T27-N598 PolarHBondContact O-ND2 2.95Å; L29-N598 HydrophobicContact CB-CB 4.42Å; E594-N598 WeakPolarHBondContact O-CB 3.27Å; E594-N598 PolarHBondContact O-N 2.89Å; E594-N598 PolarHBondContact O-ND2 3.31Å; V596-N598 PolarHBondContact O-N 2.66Å; N598-V601 PolarHBondContact O-N 3.4Å; N598-N602 WeakPolarHBondContact O-CB 3.47Å; N598-N602 VanDerWaalsContact O-CG 3.26Å; N598-N602 PolarHBondContact O-N 3.48Å; N598-N602 PolarHBondContact O-ND2 3.28Å |
| 599 | I | 94.7 | Very high | 91.4 | Very high | 20 Ų | 20 | 27 Ų | 27 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 174 | -65.7 | 169.7 | 0 | 0 | 0 | 110.1 | E26 T27 L505 I566 A595 V596 D597 R603 | E26-I599 HydrophobicContact CG-CG1 4.27Å; T27-I599 HydrophobicContact CG2-CD1 4.3Å; T27-I599 HydrophobicContact CG2-CG1 4.31Å; L505-I599 HydrophobicContact CD1-CD1 4.27Å; L505-I599 HydrophobicContact CD2-CG2 4.18Å; I566-I599 HydrophobicContact CD1-CG2 4.05Å; A595-I599 WeakPolarHBondContact O-CG1 3.31Å; A595-I599 PolarHBondContact O-N 3.3Å; V596-I599 WeakPolarHBondContact O-CB 3.41Å; V596-I599 PolarHBondContact O-N 3.07Å; V596-I599 VanDerWaalsContact O-N 3.09Å; D597-I599 VanDerWaalsContact C-N 3.3Å; D597-I599 PolarHBondContact O-N 3.32Å; I599-R603 WeakPolarHBondContact O-CB 3.33Å; I599-R603 WeakPolarHBondContact O-CG 3.4Å; I599-R603 PolarHBondContact O-N 3.06Å |
| 600 | F | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 176.2 | -84 | -97.6 | 0 | 0 | 0 | 110.9 | P504 L505 I566 L589 V596 D597 N602 R603 L604 I606 | P504-F600 HydrophobicContact CB-CE2 4.18Å; P504-F600 HydrophobicContact CB-CZ 4.3Å; P504-F600 HydrophobicContact CG-CE2 4.38Å; P504-F600 WeakPolarHBondContact O-CZ 3.44Å; L505-F600 HydrophobicContact CD2-CD2 4.18Å; L505-F600 HydrophobicContact CD2-CE2 3.51Å; L505-F600 HydrophobicContact CD2-CZ 4.13Å; L505-F600 HydrophobicContact CG-CE2 4.33Å; I566-F600 HydrophobicContact CB-CE1 4.28Å; I566-F600 HydrophobicContact CD1-CD1 4.07Å; I566-F600 HydrophobicContact CD1-CD2 4.29Å; I566-F600 HydrophobicContact CD1-CE1 4.25Å; I566-F600 HydrophobicContact CD1-CE2 4.48Å; I566-F600 HydrophobicContact CD1-CG 4.08Å; I566-F600 HydrophobicContact CD1-CZ 4.44Å; I566-F600 HydrophobicContact CG1-CD1 4.27Å; I566-F600 HydrophobicContact CG1-CE1 4.28Å; L589-F600 HydrophobicContact CD1-CB 4.34Å; L589-F600 HydrophobicContact CD1-CD1 4.05Å; L589-F600 HydrophobicContact CD1-CD2 4.32Å; L589-F600 HydrophobicContact CD1-CE1 4.45Å; L589-F600 HydrophobicContact CD1-CG 3.99Å; L589-F600 HydrophobicContact CD2-CB 3.59Å; L589-F600 HydrophobicContact CD2-CG 4.09Å; V596-F600 HydrophobicContact CG1-CD2 4.45Å; V596-F600 HydrophobicContact CG1-CE2 4.36Å; V596-F600 PolarHBondContact O-N 3.42Å; D597-F600 WeakPolarHBondContact O-CB 3.47Å; D597-F600 PolarHBondContact O-N 2.98Å; D597-F600 VanDerWaalsContact O-N 3.13Å; F600-N602 VanDerWaalsContact C-N 3.34Å; F600-N602 PolarHBondContact O-N 3.41Å; F600-R603 PolarHBondContact O-N 3.32Å; F600-L604 HydrophobicContact CD1-CD1 3.82Å; F600-L604 WeakPolarHBondContact O-CB 3.26Å; F600-L604 VanDerWaalsContact O-CG 3.26Å; F600-L604 WeakPolarHBondContact O-CG 3.23Å; F600-L604 PolarHBondContact O-N 3.45Å; F600-I606 HydrophobicContact CB-CD1 4.48Å |
| 601 | V | 96 | Very high | 92.5 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | -178.9 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L29 Q125 D597 N598 G605 I606 L609 A650 | L29-V601 HydrophobicContact CD1-CG1 3.68Å; L29-V601 HydrophobicContact CD2-CG1 3.9Å; L29-V601 HydrophobicContact CG-CG1 4.45Å; Q125-V601 PolarHBondContact NE2-O 3.34Å; D597-V601 WeakPolarHBondContact O-CB 3.44Å; D597-V601 VanDerWaalsContact O-CG2 3.26Å; D597-V601 WeakPolarHBondContact O-CG2 3.46Å; D597-V601 PolarHBondContact O-N 2.75Å; N598-V601 PolarHBondContact O-N 3.4Å; V601-G605 VanDerWaalsContact O-CA 3.31Å; V601-G605 WeakPolarHBondContact O-CA 3.42Å; V601-G605 PolarHBondContact O-N 3.42Å; V601-I606 HydrophobicContact CG1-CB 4.46Å; V601-I606 HydrophobicContact CG2-CB 4.3Å; V601-I606 HydrophobicContact CG2-CD1 4.44Å; V601-I606 PolarHBondContact O-N 3.13Å; V601-I606 VanDerWaalsContact O-N 3.13Å; V601-L609 HydrophobicContact CG2-CD1 3.96Å; V601-L609 HydrophobicContact CG2-CD2 3.83Å; V601-L609 HydrophobicContact CG2-CG 4.07Å; V601-A650 HydrophobicContact CG2-CB 4.39Å |
| 602 | N | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 178.3 | -79.6 | -26.3 | 0 | 0 | 0 | 113.8 | E26 Q28 L29 P102 Y123 Q125 N598 F600 | E26-N602 PolarHBondContact O-ND2 3.44Å; Q28-N602 PolarHBondContact O-ND2 3.46Å; L29-N602 VanDerWaalsContact CD1-OD1 3.22Å; L29-N602 WeakPolarHBondContact CD1-OD1 3.45Å; P102-N602 WeakPolarHBondContact CB-O 3.24Å; Y123-N602 HydrophobicContact CD1-CB 4.14Å; Y123-N602 HydrophobicContact CD2-CB 4.24Å; Y123-N602 HydrophobicContact CG-CB 3.81Å; Q125-N602 PolarHBondContact NE2-OD1 3.29Å; N598-N602 WeakPolarHBondContact O-CB 3.47Å; N598-N602 VanDerWaalsContact O-CG 3.26Å; N598-N602 PolarHBondContact O-N 3.48Å; N598-N602 PolarHBondContact O-ND2 3.28Å; F600-N602 VanDerWaalsContact C-N 3.34Å; F600-N602 PolarHBondContact O-N 3.41Å |
| 603 | R | 94.7 | Very high | 94 | Very high | 74 Ų | 74 | 19.4 Ų | 19.4 | 28% | 0.279 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -72.3 | -35.5 | -175 | -73.1 | -177 | 172.1 | -157.9 | 5.2 | 112.6 | E26 Y123 I566 Q570 I599 F600 | E26-R603 IonicContact OE1-CZ 3.16Å; E26-R603 IonicContact OE1-NE 2.76Å; E26-R603 PolarHBondContact OE1-NE 3.07Å; E26-R603 IonicContact OE1-NH2 2.69Å; E26-R603 PolarHBondContact OE1-NH2 3.48Å; E26-R603 IonicContact OE2-NH2 3.64Å; Y123-R603 HydrophobicContact CE1-CG 4.03Å; Y123-R603 HydrophobicContact CE2-CG 4.4Å; I566-R603 HydrophobicContact CD1-CB 4.06Å; I566-R603 HydrophobicContact CD1-CG 4.42Å; I566-R603 HydrophobicContact CG1-CB 4.4Å; Q570-R603 PolarHBondContact NE2-O 3.5Å; I599-R603 WeakPolarHBondContact O-CB 3.33Å; I599-R603 WeakPolarHBondContact O-CG 3.4Å; I599-R603 PolarHBondContact O-N 3.06Å; F600-R603 PolarHBondContact O-N 3.32Å |
| 604 | L | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -89.2 | -20.6 | -176.9 | -58.5 | -173.3 | 0 | 0 | 0 | 112.3 | L558 I566 A569 Q570 L573 R577 F600 I606 | L558-L604 HydrophobicContact CD1-CD1 4.47Å; I566-L604 HydrophobicContact CG1-CD2 3.99Å; I566-L604 HydrophobicContact CG1-CG 4.27Å; A569-L604 HydrophobicContact CB-CD1 3.98Å; A569-L604 HydrophobicContact CB-CD2 3.65Å; A569-L604 HydrophobicContact CB-CG 4.5Å; Q570-L604 HydrophobicContact CB-CD2 3.81Å; Q570-L604 VanDerWaalsContact N-CD2 3.28Å; L573-L604 HydrophobicContact CD1-CB 3.71Å; L573-L604 HydrophobicContact CD1-CD2 4.32Å; L573-L604 HydrophobicContact CD1-CG 4.45Å; L573-L604 VanDerWaalsContact CD1-O 3.26Å; L573-L604 WeakPolarHBondContact CD1-O 3.36Å; R577-L604 VanDerWaalsContact CZ-O 3.31Å; R577-L604 PolarHBondContact NH1-O 3.4Å; R577-L604 PolarHBondContact NH2-O 3Å; F600-L604 HydrophobicContact CD1-CD1 3.82Å; F600-L604 WeakPolarHBondContact O-CB 3.26Å; F600-L604 VanDerWaalsContact O-CG 3.26Å; F600-L604 WeakPolarHBondContact O-CG 3.23Å; F600-L604 PolarHBondContact O-N 3.45Å; L604-I606 HydrophobicContact CB-CD1 4.09Å; L604-I606 HydrophobicContact CB-CG1 3.95Å; L604-I606 HydrophobicContact CD1-CD1 4.03Å |
| 605 | G | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 45.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R577 V601 | R577-G605 PolarHBondContact NH2-O 3.3Å; V601-G605 VanDerWaalsContact O-CA 3.31Å; V601-G605 WeakPolarHBondContact O-CA 3.42Å; V601-G605 PolarHBondContact O-N 3.42Å |
| 606 | I | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | trans | -75.6 | 128.4 | 177.2 | -65.2 | 160.4 | 0 | 0 | 0 | 108.6 | Q125 L558 V585 A587 F600 V601 L604 A608 L609 | Q125-I606 PolarHBondContact OE1-O 2.89Å; L558-I606 HydrophobicContact CD1-CD1 4.45Å; L558-I606 HydrophobicContact CD1-CG1 4.29Å; V585-I606 HydrophobicContact CG1-CG1 4.14Å; A587-I606 HydrophobicContact CB-CD1 3.64Å; A587-I606 HydrophobicContact CB-CG1 4.06Å; A587-I606 HydrophobicContact CB-CG2 3.89Å; F600-I606 HydrophobicContact CB-CD1 4.48Å; V601-I606 HydrophobicContact CG1-CB 4.46Å; V601-I606 HydrophobicContact CG2-CB 4.3Å; V601-I606 HydrophobicContact CG2-CD1 4.44Å; V601-I606 PolarHBondContact O-N 3.13Å; V601-I606 VanDerWaalsContact O-N 3.13Å; L604-I606 HydrophobicContact CB-CD1 4.09Å; L604-I606 HydrophobicContact CB-CG1 3.95Å; L604-I606 HydrophobicContact CD1-CD1 4.03Å; I606-A608 WeakPolarHBondContact CG2-O 3.07Å; I606-L609 HydrophobicContact CG2-CD2 3.92Å | ||
| 607 | N | 96 | Very high | 94.5 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -82.5 | -38.9 | 180 | -54.5 | 119.3 | 0 | 0 | 0 | 112.2 | P128 L141 Y584 V585 M651 | P128-N607 WeakPolarHBondContact CD-ND2 3.37Å; L141-N607 HydrophobicContact CD1-CB 4.38Å; Y584-N607 WeakPolarHBondContact CA-OD1 3.09Å; Y584-N607 HydrophobicContact CD2-CB 3.94Å; Y584-N607 HydrophobicContact CE2-CB 3.74Å; V585-N607 PolarHBondContact N-OD1 2.86Å; V585-N607 WeakPolarHBondContact O-CA 3.28Å; V585-N607 WeakPolarHBondContact O-CB 3.48Å; V585-N607 PolarHBondContact O-N 2.84Å; N607-M651 WeakPolarHBondContact O-CB 3.43Å |
| 608 | A | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 145.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y584 V585 C586 A587 I606 M651 M653 | Y584-A608 WeakPolarHBondContact OH-CB 3.48Å; V585-A608 PolarHBondContact O-N 3.36Å; C586-A608 CarbonylContact C-O 3.58Å; C586-A608 WeakPolarHBondContact CA-O 3.39Å; C586-A608 HydrophobicContact CB-CB 4.37Å; A587-A608 PolarHBondContact N-O 2.94Å; I606-A608 WeakPolarHBondContact CG2-O 3.07Å; A608-M651 CarbonylContact C-O 3.52Å; A608-M651 WeakPolarHBondContact CA-O 3.41Å; A608-M651 HydrophobicContact CB-CB 4.47Å; A608-M651 HydrophobicContact CB-CG 4.44Å; A608-M653 HydrophobicContact CB-CB 4.24Å |
| 609 | L | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.6 | 172 | -63.4 | -176.6 | 0 | 0 | 0 | 110.4 | A587 L589 D597 V601 I606 R611 A650 M651 A652 M653 | A587-L609 HydrophobicContact CB-CD2 4.2Å; A587-L609 WeakPolarHBondContact O-CA 2.96Å; L589-L609 HydrophobicContact CB-CD2 3.86Å; L589-L609 HydrophobicContact CD2-CD2 4.07Å; D597-L609 HydrophobicContact CB-CD1 4.32Å; V601-L609 HydrophobicContact CG2-CD1 3.96Å; V601-L609 HydrophobicContact CG2-CD2 3.83Å; V601-L609 HydrophobicContact CG2-CG 4.07Å; I606-L609 HydrophobicContact CG2-CD2 3.92Å; L609-R611 PolarHBondContact O-N 3.38Å; L609-A650 HydrophobicContact CD1-CB 3.76Å; L609-A650 HydrophobicContact CG-CB 4.11Å; L609-M651 PolarHBondContact N-O 2.8Å; L609-A652 CarbonylContact O-C 3.57Å; L609-A652 WeakPolarHBondContact O-CA 3.47Å; L609-M653 PolarHBondContact O-N 2.86Å |
| 610 | V | 95.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 129.5 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | A587 F655 T658 | A587-V610 PolarHBondContact O-N 3Å; V610-F655 HydrophobicContact CG1-CD2 3.86Å; V610-F655 HydrophobicContact CG1-CE2 4.15Å; V610-F655 HydrophobicContact CG2-CE2 4.39Å; V610-T658 HydrophobicContact CG1-CG2 4.15Å |
| 611 | R | 94.3 | Very high | 94.4 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.2 | 175.6 | -59.9 | -64 | 177.1 | -134.3 | 17.4 | 108.3 | L589 D597 L609 F629 A652 M653 F654 F655 | L589-R611 PolarHBondContact O-NH1 3.31Å; D597-R611 IonicContact OD2-NH2 3.92Å; D597-R611 PolarHBondContact OD2-NH2 3.29Å; D597-R611 VanDerWaalsContact OD2-NH2 3.08Å; L609-R611 PolarHBondContact O-N 3.38Å; R611-F629 HydrophobicContact CB-CE2 4.06Å; R611-F629 HydrophobicContact CB-CZ 4.32Å; R611-F629 HydrophobicContact CG-CE1 4.38Å; R611-F629 HydrophobicContact CG-CE2 3.92Å; R611-F629 HydrophobicContact CG-CZ 3.68Å; R611-A652 HydrophobicContact CB-CB 4.32Å; R611-A652 HydrophobicContact CG-CB 3.81Å; R611-M653 PolarHBondContact N-O 2.7Å; R611-F654 HydrophobicContact CB-CD2 3.99Å; R611-F654 CarbonylContact O-C 3.55Å; R611-F655 PolarHBondContact O-N 2.85Å |
| 612 | E | 94 | Very high | 94.4 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 15% | 0.154 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.8 | -168.5 | -51.2 | -170.4 | 152.8 | 0 | 0 | 111.6 | M614 S615 T658 N661 | E612-M614 PolarHBondContact O-N 3.28Å; E612-S615 WeakPolarHBondContact O-CB 3.37Å; E612-S615 PolarHBondContact O-N 3.28Å; E612-S615 PolarHBondContact O-OG 3.27Å; E612-T658 HydrophobicContact CG-CG2 3.71Å; E612-T658 WeakPolarHBondContact OE1-CB 3.32Å; E612-T658 WeakPolarHBondContact OE1-CG2 3.22Å; E612-T658 PolarHBondContact OE1-OG1 3.28Å; E612-N661 PolarHBondContact OE2-ND2 2.68Å |
| 613 | A | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -65.4 | -28.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S615 A616 F654 F655 R668 T676 V680 | A613-S615 PolarHBondContact O-N 3.18Å; A613-A616 WeakPolarHBondContact O-CB 3.31Å; A613-A616 PolarHBondContact O-N 2.99Å; A613-A616 VanDerWaalsContact O-N 3.13Å; A613-F654 HydrophobicContact CB-CE2 3.99Å; A613-F654 HydrophobicContact CB-CZ 4.15Å; A613-F655 WeakPolarHBondContact CB-O 3.3Å; A613-F655 PolarHBondContact N-O 2.88Å; A613-R668 PolarHBondContact O-NH2 3.45Å; A613-T676 HydrophobicContact CB-CG2 4.39Å; A613-V680 HydrophobicContact CB-CG2 3.81Å |
| 614 | M | 93.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 31 Ų | 31 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -65.8 | -16 | 175.6 | -70.8 | -60.8 | -67.1 | 0 | 0 | 113.9 | E612 A616 D656 V657 N661 P662 P664 V667 | E612-M614 PolarHBondContact O-N 3.28Å; M614-A616 VanDerWaalsContact C-N 3.28Å; M614-D656 WeakPolarHBondContact CG-O 3.5Å; M614-V657 HydrophobicContact CG-CG2 4.28Å; M614-N661 HydrophobicContact CB-CB 4.3Å; M614-N661 WeakPolarHBondContact CB-OD1 3.38Å; M614-N661 HydrophobicContact CG-CB 4.1Å; M614-N661 WeakPolarHBondContact CG-OD1 3.47Å; M614-P662 HydrophobicContact CE-CG 4.26Å; M614-P664 HydrophobicContact CE-CB 4.27Å; M614-P664 HydrophobicContact CE-CG 4.2Å; M614-P664 HydrophobicContact SD-CB 3.97Å; M614-P664 HydrophobicContact SD-CG 3.9Å; M614-V667 HydrophobicContact CE-CB 4.18Å; M614-V667 HydrophobicContact CE-CG1 4.31Å; M614-V667 HydrophobicContact CE-CG2 4.49Å |
| 615 | S | 90.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 31.8 Ų | 31.8 | 59% | 0.587 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -73.6 | -20.8 | 173.4 | 70.6 | 0 | 0 | 0 | 0 | 112.9 | E612 A613 S617 | E612-S615 WeakPolarHBondContact O-CB 3.37Å; E612-S615 PolarHBondContact O-N 3.28Å; E612-S615 PolarHBondContact O-OG 3.27Å; A613-S615 PolarHBondContact O-N 3.18Å; S615-S617 PolarHBondContact O-N 3.36Å |
| 616 | A | 92.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | trans | -71.4 | 125.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A613 M614 D618 E621 Q622 R668 | A613-A616 WeakPolarHBondContact O-CB 3.31Å; A613-A616 PolarHBondContact O-N 2.99Å; A613-A616 VanDerWaalsContact O-N 3.13Å; M614-A616 VanDerWaalsContact C-N 3.28Å; A616-D618 VanDerWaalsContact C-N 3.33Å; A616-E621 HydrophobicContact CB-CB 4.09Å; A616-E621 HydrophobicContact CB-CG 4.06Å; A616-Q622 HydrophobicContact CB-CB 3.81Å; A616-R668 PolarHBondContact O-NH2 3.38Å | ||
| 617 | S | 90.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 69% | 0.685 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -72.5 | -27 | 178 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | S615 | S615-S617 PolarHBondContact O-N 3.36Š|
| 618 | D | 92.4 | Very high | 94 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -149.5 | 177.1 | -177.6 | 56.8 | 55.1 | 0 | 0 | 0 | 111 | A616 H620 E621 Q622 F783 | A616-D618 VanDerWaalsContact C-N 3.33Å; D618-H620 VanDerWaalsContact C-N 3.31Å; D618-H620 PolarHBondContact O-N 3.46Å; D618-H620 WeakPolarHBondContact OD1-CA 3.25Å; D618-H620 WeakPolarHBondContact OD1-CB 3.07Å; D618-H620 PolarHBondContact OD1-N 2.82Å; D618-E621 PolarHBondContact OD1-N 2.86Å; D618-Q622 PolarHBondContact O-N 3.22Å; D618-F783 VanDerWaalsContact CA-CE1 3.41Å; D618-F783 WeakPolarHBondContact O-CE1 3.26Å |
| 619 | V | 93 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -32.2 | -177.8 | -176 | 0 | 0 | 0 | 0 | 111.8 | Q622 G623 T762 N781 F783 | V619-Q622 PolarHBondContact O-N 3.04Å; V619-G623 PolarHBondContact O-N 2.83Å; V619-T762 VanDerWaalsContact CG1-OG1 3.3Å; V619-T762 WeakPolarHBondContact CG1-OG1 3.2Å; V619-N781 HydrophobicContact CG1-CB 4.08Å; V619-N781 HydrophobicContact CG2-CB 3.55Å; V619-F783 HydrophobicContact CG2-CD2 3.57Å; V619-F783 HydrophobicContact CG2-CE2 3.76Å; V619-F783 HydrophobicContact CG2-CG 4.06Å; V619-F783 HydrophobicContact CG2-CZ 4.39Å |
| 620 | H | 94.8 | Very high | 93.3 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -48.2 | 179.6 | -178.5 | 77.6 | 0 | 0 | 0 | 110.7 | D618 Q622 G623 R624 Q756 | D618-H620 VanDerWaalsContact C-N 3.31Å; D618-H620 PolarHBondContact O-N 3.46Å; D618-H620 WeakPolarHBondContact OD1-CA 3.25Å; D618-H620 WeakPolarHBondContact OD1-CB 3.07Å; D618-H620 PolarHBondContact OD1-N 2.82Å; H620-Q622 VanDerWaalsContact C-N 3.3Å; H620-Q622 PolarHBondContact O-N 3.02Å; H620-G623 CarbonylContact O-C 3.52Å; H620-G623 WeakPolarHBondContact O-CA 3.45Å; H620-G623 PolarHBondContact O-N 2.76Å; H620-R624 PolarHBondContact O-N 3.1Å; H620-Q756 PolarHBondContact ND1-OE1 2.98Å |
| 621 | E | 95.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 179.3 | -176.2 | 58.4 | -166.9 | 0 | 0 | 111.7 | A616 D618 G623 R624 L625 | A616-E621 HydrophobicContact CB-CB 4.09Å; A616-E621 HydrophobicContact CB-CG 4.06Å; D618-E621 PolarHBondContact OD1-N 2.86Å; E621-G623 VanDerWaalsContact C-N 3.34Å; E621-G623 PolarHBondContact O-N 3.22Å; E621-R624 VanDerWaalsContact CD-NE 3.31Å; E621-R624 WeakPolarHBondContact O-CB 3.22Å; E621-R624 PolarHBondContact O-N 3.42Å; E621-R624 IonicContact OE1-CZ 3.58Å; E621-R624 VanDerWaalsContact OE1-CZ 3.27Å; E621-R624 IonicContact OE1-NE 2.73Å; E621-R624 PolarHBondContact OE1-NE 3.1Å; E621-R624 VanDerWaalsContact OE1-NE 3.07Å; E621-R624 IonicContact OE1-NH2 3.51Å; E621-R624 PolarHBondContact OE1-NH2 2.88Å; E621-R624 IonicContact OE2-CZ 2.83Å; E621-R624 IonicContact OE2-NE 3.41Å; E621-R624 PolarHBondContact OE2-NE 2.96Å; E621-R624 IonicContact OE2-NH2 3.68Å; E621-L625 WeakPolarHBondContact O-CG 3.44Å; E621-L625 PolarHBondContact O-N 3.48Å; E621-L625 VanDerWaalsContact O-N 3.13Å |
| 622 | Q | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 171.9 | -169.1 | 171.1 | -13.5 | 0 | 0 | 111.5 | A616 D618 V619 H620 R624 L625 V626 T676 M679 F783 | A616-Q622 HydrophobicContact CB-CB 3.81Å; D618-Q622 PolarHBondContact O-N 3.22Å; V619-Q622 PolarHBondContact O-N 3.04Å; H620-Q622 VanDerWaalsContact C-N 3.3Å; H620-Q622 PolarHBondContact O-N 3.02Å; Q622-R624 VanDerWaalsContact C-N 3.34Å; Q622-R624 PolarHBondContact O-N 3.03Å; Q622-L625 PolarHBondContact O-N 3.14Å; Q622-V626 WeakPolarHBondContact O-CG2 3.5Å; Q622-V626 PolarHBondContact O-N 3.03Å; Q622-V626 VanDerWaalsContact O-N 3.07Å; Q622-T676 PolarHBondContact OE1-OG1 3.48Å; Q622-M679 HydrophobicContact CB-CE 4.2Å; Q622-M679 HydrophobicContact CB-SD 4.28Å; Q622-M679 HydrophobicContact CG-CE 4.12Å; Q622-M679 HydrophobicContact CG-CG 4.38Å; Q622-M679 HydrophobicContact CG-SD 3.79Å; Q622-F783 HydrophobicContact CB-CZ 4.38Å |
| 623 | G | 95.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V619 H620 E621 L625 V626 Y627 | V619-G623 PolarHBondContact O-N 2.83Å; H620-G623 CarbonylContact O-C 3.52Å; H620-G623 WeakPolarHBondContact O-CA 3.45Å; H620-G623 PolarHBondContact O-N 2.76Å; E621-G623 VanDerWaalsContact C-N 3.34Å; E621-G623 PolarHBondContact O-N 3.22Å; G623-L625 VanDerWaalsContact C-N 3.34Å; G623-L625 PolarHBondContact O-N 3.37Å; G623-V626 PolarHBondContact O-N 2.74Å; G623-Y627 PolarHBondContact O-N 2.9Å |
| 624 | R | 95.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.6 | -166.6 | -170.1 | 68.9 | 74 | 1 | 112.1 | H620 E621 Q622 Y627 R628 | H620-R624 PolarHBondContact O-N 3.1Å; E621-R624 VanDerWaalsContact CD-NE 3.31Å; E621-R624 WeakPolarHBondContact O-CB 3.22Å; E621-R624 PolarHBondContact O-N 3.42Å; E621-R624 IonicContact OE1-CZ 3.58Å; E621-R624 VanDerWaalsContact OE1-CZ 3.27Å; E621-R624 IonicContact OE1-NE 2.73Å; E621-R624 PolarHBondContact OE1-NE 3.1Å; E621-R624 VanDerWaalsContact OE1-NE 3.07Å; E621-R624 IonicContact OE1-NH2 3.51Å; E621-R624 PolarHBondContact OE1-NH2 2.88Å; E621-R624 IonicContact OE2-CZ 2.83Å; E621-R624 IonicContact OE2-NE 3.41Å; E621-R624 PolarHBondContact OE2-NE 2.96Å; E621-R624 IonicContact OE2-NH2 3.68Å; Q622-R624 VanDerWaalsContact C-N 3.34Å; Q622-R624 PolarHBondContact O-N 3.03Å; R624-Y627 PolarHBondContact O-N 3.38Å; R624-R628 WeakPolarHBondContact O-CB 3.22Å; R624-R628 PolarHBondContact O-N 2.95Å |
| 625 | L | 94.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.1 | -65.2 | 175.3 | 0 | 0 | 0 | 111.5 | E621 Q622 G623 Y627 R628 F629 F654 | E621-L625 WeakPolarHBondContact O-CG 3.44Å; E621-L625 PolarHBondContact O-N 3.48Å; E621-L625 VanDerWaalsContact O-N 3.13Å; Q622-L625 PolarHBondContact O-N 3.14Å; G623-L625 VanDerWaalsContact C-N 3.34Å; G623-L625 PolarHBondContact O-N 3.37Å; L625-Y627 VanDerWaalsContact C-N 3.34Å; L625-Y627 PolarHBondContact O-N 3.02Å; L625-R628 PolarHBondContact O-N 2.83Å; L625-F629 HydrophobicContact CB-CD2 4.41Å; L625-F629 HydrophobicContact CB-CE2 4.2Å; L625-F629 HydrophobicContact CD2-CE2 4.01Å; L625-F629 WeakPolarHBondContact O-CD2 3.34Å; L625-F629 PolarHBondContact O-N 2.91Å; L625-F654 HydrophobicContact CB-CE1 4.12Å; L625-F654 HydrophobicContact CB-CE2 4.28Å; L625-F654 HydrophobicContact CB-CZ 3.59Å; L625-F654 HydrophobicContact CD1-CE2 4.03Å; L625-F654 HydrophobicContact CD1-CZ 3.94Å; L625-F654 HydrophobicContact CG-CZ 4.43Å |
| 626 | V | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | Q622 G623 G630 F654 M679 A683 V754 I764 | Q622-V626 WeakPolarHBondContact O-CG2 3.5Å; Q622-V626 PolarHBondContact O-N 3.03Å; Q622-V626 VanDerWaalsContact O-N 3.07Å; G623-V626 PolarHBondContact O-N 2.74Å; V626-G630 WeakPolarHBondContact O-CA 3.33Å; V626-G630 PolarHBondContact O-N 2.79Å; V626-F654 HydrophobicContact CG2-CE1 4.05Å; V626-M679 HydrophobicContact CG2-CE 4.18Å; V626-M679 HydrophobicContact CG2-CG 3.7Å; V626-M679 WeakPolarHBondContact CG2-O 3.31Å; V626-A683 HydrophobicContact CB-CB 4.38Å; V626-A683 HydrophobicContact CG1-CB 4.13Å; V626-A683 HydrophobicContact CG2-CB 4.32Å; V626-V754 HydrophobicContact CB-CG2 4.42Å; V626-V754 HydrophobicContact CG1-CG2 3.98Å; V626-I764 HydrophobicContact CG1-CD1 4.18Å; V626-I764 HydrophobicContact CG1-CG2 4.23Å |
| 627 | Y | 94.7 | Very high | 92.3 | Very high | 106 Ų | 106 | 43 Ų | 43 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 177 | 178.9 | -102.1 | 0 | 0 | 0 | 111.6 | G623 R624 L625 F629 G630 V752 V754 | G623-Y627 PolarHBondContact O-N 2.9Å; R624-Y627 PolarHBondContact O-N 3.38Å; L625-Y627 VanDerWaalsContact C-N 3.34Å; L625-Y627 PolarHBondContact O-N 3.02Å; Y627-F629 VanDerWaalsContact C-N 3.34Å; Y627-F629 PolarHBondContact O-N 3.46Å; Y627-G630 PolarHBondContact O-N 3.09Å; Y627-V752 HydrophobicContact CD2-CG1 4.15Å; Y627-V752 HydrophobicContact CE2-CG1 4.41Å; Y627-V754 HydrophobicContact CD2-CG2 4.38Å |
| 628 | R | 91.9 | Very high | 91.9 | Very high | 106 Ų | 106 | 39.5 Ų | 39.5 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | -178.6 | -177.1 | 172.7 | -179.3 | 110.3 | -1.1 | 112.8 | E594 R624 L625 | E594-R628 IonicContact OE1-NH2 3.75Å; E594-R628 PolarHBondContact OE1-NH2 2.65Å; E594-R628 IonicContact OE2-CZ 3.73Å; E594-R628 IonicContact OE2-NH2 3.97Å; E594-R628 PolarHBondContact OE2-NH2 2.79Å; R624-R628 WeakPolarHBondContact O-CB 3.22Å; R624-R628 PolarHBondContact O-N 2.95Å; L625-R628 PolarHBondContact O-N 2.83Å |
| 629 | F | 91 | Very high | 90.8 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 10% | 0.101 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -94.8 | -9.2 | -179.2 | -53.7 | -51.7 | 0 | 0 | 0 | 113.2 | R611 L625 Y627 G631 A652 F654 A683 C685 | R611-F629 HydrophobicContact CB-CE2 4.06Å; R611-F629 HydrophobicContact CB-CZ 4.32Å; R611-F629 HydrophobicContact CG-CE1 4.38Å; R611-F629 HydrophobicContact CG-CE2 3.92Å; R611-F629 HydrophobicContact CG-CZ 3.68Å; L625-F629 HydrophobicContact CB-CD2 4.41Å; L625-F629 HydrophobicContact CB-CE2 4.2Å; L625-F629 HydrophobicContact CD2-CE2 4.01Å; L625-F629 WeakPolarHBondContact O-CD2 3.34Å; L625-F629 PolarHBondContact O-N 2.91Å; Y627-F629 VanDerWaalsContact C-N 3.34Å; Y627-F629 PolarHBondContact O-N 3.46Å; F629-G631 VanDerWaalsContact C-N 3.25Å; F629-G631 PolarHBondContact O-N 3.09Å; F629-A652 HydrophobicContact CB-CB 4.17Å; F629-A652 HydrophobicContact CD1-CB 3.56Å; F629-A652 HydrophobicContact CD2-CB 3.9Å; F629-A652 HydrophobicContact CE1-CB 3.87Å; F629-A652 HydrophobicContact CE2-CB 4.19Å; F629-A652 HydrophobicContact CG-CB 3.59Å; F629-A652 HydrophobicContact CZ-CB 4.19Å; F629-F654 HydrophobicContact CD2-CD1 4.46Å; F629-A683 CarbonylContact C-O 3.55Å; F629-C685 HydrophobicContact CB-CB 4.2Å |
| 630 | G | 86.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -58.5 | -26.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V626 Y627 A683 R766 | V626-G630 WeakPolarHBondContact O-CA 3.33Å; V626-G630 PolarHBondContact O-N 2.79Å; Y627-G630 PolarHBondContact O-N 3.09Å; G630-A683 WeakPolarHBondContact CA-O 3.49Å; G630-A683 PolarHBondContact N-O 3.19Å; G630-A683 VanDerWaalsContact N-O 3.13Å; G630-R766 PolarHBondContact O-NH1 3.38Å; G630-R766 PolarHBondContact O-NH2 3.03Å |
| 631 | G | 86.1 | Confident | 88.9 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | trans | 109 | -144.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F629 | F629-G631 VanDerWaalsContact C-N 3.25Å; F629-G631 PolarHBondContact O-N 3.09Å | ||
| 632 | N | 89.5 | Confident | 88.2 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 149.9 | -173.4 | -67.1 | -40 | 0 | 0 | 0 | 111.2 | S636 N750 E751 V752 | N632-S636 WeakPolarHBondContact CB-OG 3.23Å; N632-N750 PolarHBondContact N-O 2.91Å; N632-E751 HydrophobicContact CB-CG 4.38Å; N632-E751 CarbonylContact O-C 3.57Å; N632-E751 WeakPolarHBondContact O-CA 3.5Å; N632-V752 PolarHBondContact O-N 3.46Å |
| 633 | P | 92.9 | Very high | 87.7 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 150 | 170.8 | -24.5 | 34.4 | 0 | 0 | 0 | 112.8 | G635 S636 L996 | P633-G635 PolarHBondContact O-N 3.38Å; P633-S636 WeakPolarHBondContact CD-OG 3.26Å; P633-S636 WeakPolarHBondContact O-CB 3.46Å; P633-S636 PolarHBondContact O-N 3.3Å; P633-S636 PolarHBondContact O-OG 3.21Å; P633-L996 HydrophobicContact CB-CD1 3.89Å |
| 634 | V | 91.9 | Very high | 87.3 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | E751 V752 F753 F767 F1044 | V634-E751 VanDerWaalsContact CA-OE2 3.27Å; V634-E751 WeakPolarHBondContact CA-OE2 3.1Å; V634-E751 HydrophobicContact CG2-CB 4.07Å; V634-V752 PolarHBondContact N-O 2.91Å; V634-F753 HydrophobicContact CB-CB 4.3Å; V634-F753 HydrophobicContact CG2-CB 3.82Å; V634-F767 HydrophobicContact CG2-CB 4.16Å; V634-F1044 HydrophobicContact CG1-CD2 3.45Å; V634-F1044 VanDerWaalsContact CG1-CD2 3.45Å; V634-F1044 HydrophobicContact CG1-CE2 3.76Å; V634-F1044 HydrophobicContact CG1-CG 4.23Å |
| 635 | G | 90.8 | Very high | 87 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 20.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P633 E751 L996 F1044 | P633-G635 PolarHBondContact O-N 3.38Å; G635-E751 PolarHBondContact N-OE2 3.31Å; G635-L996 VanDerWaalsContact O-CD2 3.27Å; G635-L996 WeakPolarHBondContact O-CD2 2.92Å; G635-F1044 WeakPolarHBondContact CA-O 3.35Å |
| 636 | S | 92.7 | Very high | 86.6 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 154.9 | -179.3 | -74 | 0 | 0 | 0 | 0 | 112.2 | N632 P633 E751 N994 S1048 | N632-S636 WeakPolarHBondContact CB-OG 3.23Å; P633-S636 WeakPolarHBondContact CD-OG 3.26Å; P633-S636 WeakPolarHBondContact O-CB 3.46Å; P633-S636 PolarHBondContact O-N 3.3Å; P633-S636 PolarHBondContact O-OG 3.21Å; S636-E751 PolarHBondContact N-OE1 3.3Å; S636-E751 VanDerWaalsContact N-OE1 3.11Å; S636-N994 PolarHBondContact OG-ND2 2.83Å; S636-S1048 WeakPolarHBondContact O-CB 3.46Å |
| 637 | F | 90.3 | Very high | 86.4 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 139.7 | 176.2 | -66.1 | -87.3 | 0 | 0 | 0 | 110.8 | I990 R991 N994 L996 P1047 E1051 | F637-I990 HydrophobicContact CE1-CG2 4.31Å; F637-I990 HydrophobicContact CE2-CG2 3.47Å; F637-I990 VanDerWaalsContact CE2-CG2 3.47Å; F637-I990 HydrophobicContact CZ-CG2 3.33Å; F637-R991 HydrophobicContact CB-CB 4.41Å; F637-R991 HydrophobicContact CB-CG 3.88Å; F637-R991 HydrophobicContact CD1-CB 4.31Å; F637-R991 HydrophobicContact CD1-CG 4.48Å; F637-R991 HydrophobicContact CG-CB 4.2Å; F637-R991 HydrophobicContact CG-CG 4.2Å; F637-N994 WeakPolarHBondContact CD2-OD1 3.33Å; F637-N994 PolarHBondContact N-OD1 3.24Å; F637-L996 HydrophobicContact CD2-CD2 4.28Å; F637-L996 HydrophobicContact CE2-CD2 3.69Å; F637-L996 HydrophobicContact CE2-CG 4.43Å; F637-L996 HydrophobicContact CZ-CD2 4.21Å; F637-P1047 HydrophobicContact CZ-CB 4.36Å; F637-E1051 HydrophobicContact CD1-CB 3.89Å; F637-E1051 HydrophobicContact CD1-CG 4.14Å; F637-E1051 HydrophobicContact CE1-CB 3.67Å; F637-E1051 HydrophobicContact CE1-CG 4.14Å |
| 638 | L | 80.5 | Confident | 86 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 129.9 | -176.4 | -67.5 | 167 | 0 | 0 | 0 | 110.4 | S640 Y914 M915 Y1049 L1052 | L638-S640 PolarHBondContact O-N 2.96Å; L638-Y914 HydrophobicContact CB-CE1 3.89Å; L638-M915 HydrophobicContact CD1-CE 4.11Å; L638-Y1049 HydrophobicContact CD1-CE1 4.25Å; L638-Y1049 HydrophobicContact CD1-CE2 4.18Å; L638-L1052 HydrophobicContact CD1-CD2 3.94Å |
| 639 | P | 70.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | trans | -77.4 | 112.5 | -170.9 | 29.5 | -34.7 | 0 | 0 | 0 | 111.7 | Y914 | P639-Y914 WeakPolarHBondContact CD-OH 3.14Å; P639-Y914 WeakPolarHBondContact O-CE2 3.36Å; P639-Y914 PolarHBondContact O-OH 2.91Å | ||
| 640 | S | 73.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 30% | 0.301 | 25% | 0.25 | S | C | . | . | trans | -62.7 | 147 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | L638 F642 R643 | L638-S640 PolarHBondContact O-N 2.96Å; S640-F642 WeakPolarHBondContact CB-O 3.42Å; S640-F642 PolarHBondContact O-N 3.49Å; S640-F642 PolarHBondContact OG-N 2.79Å; S640-F642 PolarHBondContact OG-O 2.87Å; S640-R643 WeakPolarHBondContact O-CD 3.42Å; S640-R643 WeakPolarHBondContact O-CG 3.2Å; S640-R643 PolarHBondContact O-NH1 3.49Å | ||
| 641 | P | 73.5 | Confident | 86.1 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -62.8 | -29.7 | 173.1 | -18.9 | 34.4 | 0 | 0 | 0 | 111 | Y13 T14 Y914 | Y13-P641 CarbonylContact C-O 3.25Å; Y13-P641 WeakPolarHBondContact CA-O 3.27Å; Y13-P641 HydrophobicContact CD1-CB 4.38Å; T14-P641 PolarHBondContact N-O 2.98Å; P641-Y914 HydrophobicContact CG-CD2 3.49Å; P641-Y914 VanDerWaalsContact CG-CD2 3.49Å; P641-Y914 HydrophobicContact CG-CE2 4.02Å; P641-Y914 HydrophobicContact CG-CG 4.48Å |
| 642 | F | 80.5 | Confident | 86.5 | Confident | 98 Ų | 98 | 42 Ų | 42 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.4 | 174.2 | -170.4 | -91.1 | 0 | 0 | 0 | 109.2 | T14 V16 S640 | T14-F642 HydrophobicContact CG2-CD2 3.96Å; T14-F642 HydrophobicContact CG2-CE2 3.95Å; T14-F642 WeakPolarHBondContact O-CA 3.49Å; V16-F642 HydrophobicContact CG2-CD1 4.2Å; V16-F642 HydrophobicContact CG2-CD2 4.42Å; V16-F642 HydrophobicContact CG2-CE1 3.49Å; V16-F642 VanDerWaalsContact CG2-CE1 3.49Å; V16-F642 HydrophobicContact CG2-CE2 3.74Å; V16-F642 HydrophobicContact CG2-CZ 3.23Å; S640-F642 WeakPolarHBondContact CB-O 3.42Å; S640-F642 PolarHBondContact O-N 3.49Å; S640-F642 PolarHBondContact OG-N 2.79Å; S640-F642 PolarHBondContact OG-O 2.87Å |
| 643 | R | 84.1 | Confident | 86.8 | Confident | 70 Ų | 70 | 38.2 Ų | 38.2 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.3 | -174.8 | 62.2 | -179.6 | -179.7 | -105.9 | 8.4 | 112.5 | T14 F15 V16 S640 | T14-R643 PolarHBondContact O-N 2.81Å; T14-R643 VanDerWaalsContact O-N 3.1Å; F15-R643 CarbonylContact C-O 3.56Å; F15-R643 VanDerWaalsContact CA-O 3.23Å; F15-R643 WeakPolarHBondContact CA-O 3.45Å; F15-R643 HydrophobicContact CD1-CG 4.02Å; F15-R643 HydrophobicContact CE1-CG 4.16Å; V16-R643 PolarHBondContact N-O 2.94Å; S640-R643 WeakPolarHBondContact O-CD 3.42Å; S640-R643 WeakPolarHBondContact O-CG 3.2Å; S640-R643 PolarHBondContact O-NH1 3.49Å |
| 644 | Y | 86.9 | Confident | 87 | Confident | 110 Ų | 110 | 36.6 Ų | 36.6 | 43% | 0.431 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 140.4 | 174.3 | -71.3 | -76.9 | 0 | 0 | 0 | 111.1 | V16 T646 R992 | V16-Y644 HydrophobicContact CB-CD1 4.25Å; V16-Y644 HydrophobicContact CG1-CD1 4.38Å; V16-Y644 HydrophobicContact CG1-CE1 4.39Å; Y644-T646 PolarHBondContact O-N 3.41Å; Y644-R992 HydrophobicContact CD2-CG 4.3Å |
| 645 | L | 90.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | trans | -76.1 | 99.9 | 170.5 | -172.1 | 51.8 | 0 | 0 | 0 | 108.8 | F15 V16 L17 Y30 L32 V38 | F15-L645 HydrophobicContact CB-CB 3.89Å; F15-L645 HydrophobicContact CB-CD1 3.86Å; F15-L645 HydrophobicContact CB-CG 4.28Å; F15-L645 HydrophobicContact CD1-CD1 3.96Å; F15-L645 HydrophobicContact CG-CD1 4.13Å; V16-L645 PolarHBondContact O-N 2.85Å; L17-L645 HydrophobicContact CB-CB 4.42Å; L17-L645 HydrophobicContact CB-CD2 4.24Å; Y30-L645 HydrophobicContact CD1-CD1 3.95Å; Y30-L645 HydrophobicContact CD1-CD2 3.99Å; Y30-L645 HydrophobicContact CD1-CG 3.47Å; Y30-L645 VanDerWaalsContact CD1-CG 3.47Å; Y30-L645 HydrophobicContact CD2-CD2 4.4Å; Y30-L645 HydrophobicContact CE1-CD2 4.49Å; Y30-L645 HydrophobicContact CE1-CG 3.87Å; Y30-L645 WeakPolarHBondContact CE1-O 3.44Å; Y30-L645 HydrophobicContact CG-CD1 4.39Å; Y30-L645 HydrophobicContact CG-CD2 3.89Å; Y30-L645 HydrophobicContact CG-CG 3.91Å; L32-L645 HydrophobicContact CD2-CD1 3.92Å; L32-L645 HydrophobicContact CG-CD1 4.47Å; V38-L645 HydrophobicContact CG2-CD2 3.92Å | ||
| 646 | T | 86.3 | Confident | 87.5 | Confident | 72 Ų | 72 | 35.7 Ų | 35.7 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -92.9 | 146.3 | 179 | 53.9 | 0 | 0 | 0 | 0 | 111 | Y644 A648 | Y644-T646 PolarHBondContact O-N 3.41Å; T646-A648 PolarHBondContact O-N 2.99Å |
| 647 | P | 89.2 | Confident | 87.6 | Confident | 76 Ų | 76 | 35.9 Ų | 35.9 | 49% | 0.494 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 131.7 | 174.5 | -24.2 | 34.6 | 0 | 0 | 0 | 111.5 | Q28 L29 Y30 | Q28-P647 HydrophobicContact CB-CB 4.41Å; Q28-P647 HydrophobicContact CB-CG 4.24Å; Q28-P647 HydrophobicContact CG-CG 4.31Å; L29-P647 CarbonylContact O-C 3.52Å; L29-P647 WeakPolarHBondContact O-CA 3.15Å; Y30-P647 HydrophobicContact CE1-CB 4.48Å; Y30-P647 HydrophobicContact CE1-CG 4.03Å |
| 648 | A | 86.8 | Confident | 87.9 | Confident | 35 Ų | 35 | 35.4 Ų | 35.4 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -94.4 | 156.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | L29 T646 | L29-A648 PolarHBondContact O-N 2.71Å; T646-A648 PolarHBondContact O-N 2.99Å |
| 649 | V | 88.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 34.9 Ų | 34.9 | 42% | 0.424 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 134.5 | 164.4 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | M651 | V649-M651 PolarHBondContact O-N 3.33Š|
| 650 | A | 91.3 | Very high | 89.3 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 127 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L29 V601 L609 A652 | L29-A650 VanDerWaalsContact CD2-CA 3.47Å; L29-A650 HydrophobicContact CD2-CB 3.72Å; V601-A650 HydrophobicContact CG2-CB 4.39Å; L609-A650 HydrophobicContact CD1-CB 3.76Å; L609-A650 HydrophobicContact CG-CB 4.11Å; A650-A652 PolarHBondContact O-N 2.77Å |
| 651 | M | 91.9 | Very high | 90.2 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 11% | 0.108 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 135.5 | 177.9 | -173.9 | -179.8 | -61.4 | 0 | 0 | 110.1 | L141 Q142 N607 A608 L609 V649 | L141-M651 HydrophobicContact CB-CE 3.95Å; L141-M651 HydrophobicContact CB-SD 3.76Å; Q142-M651 HydrophobicContact CG-CE 3.95Å; Q142-M651 HydrophobicContact CG-SD 4.38Å; N607-M651 WeakPolarHBondContact O-CB 3.43Å; A608-M651 CarbonylContact C-O 3.52Å; A608-M651 WeakPolarHBondContact CA-O 3.41Å; A608-M651 HydrophobicContact CB-CB 4.47Å; A608-M651 HydrophobicContact CB-CG 4.44Å; L609-M651 PolarHBondContact N-O 2.8Å; V649-M651 PolarHBondContact O-N 3.33Å |
| 652 | A | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 142.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | L609 R611 F629 A650 C685 S686 | L609-A652 CarbonylContact O-C 3.57Å; L609-A652 WeakPolarHBondContact O-CA 3.47Å; R611-A652 HydrophobicContact CB-CB 4.32Å; R611-A652 HydrophobicContact CG-CB 3.81Å; F629-A652 HydrophobicContact CB-CB 4.17Å; F629-A652 HydrophobicContact CD1-CB 3.56Å; F629-A652 HydrophobicContact CD2-CB 3.9Å; F629-A652 HydrophobicContact CE1-CB 3.87Å; F629-A652 HydrophobicContact CE2-CB 4.19Å; F629-A652 HydrophobicContact CG-CB 3.59Å; F629-A652 HydrophobicContact CZ-CB 4.19Å; A650-A652 PolarHBondContact O-N 2.77Å; A652-C685 HydrophobicContact CB-CB 4.49Å; A652-S686 PolarHBondContact O-N 2.9Å |
| 653 | M | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 96.6 | 150.9 | -174.8 | 175.1 | -82.7 | 0 | 0 | 106.8 | C146 Y584 A608 L609 R611 F655 S686 | C146-M653 HydrophobicContact CB-CE 4.11Å; C146-M653 HydrophobicContact CB-SD 3.94Å; Y584-M653 HydrophobicContact CE1-CE 3.91Å; Y584-M653 WeakPolarHBondContact OH-CE 3.39Å; A608-M653 HydrophobicContact CB-CB 4.24Å; L609-M653 PolarHBondContact O-N 2.86Å; R611-M653 PolarHBondContact N-O 2.7Å; M653-F655 HydrophobicContact CB-CE2 4.33Å; M653-F655 HydrophobicContact CG-CD2 4.07Å; M653-F655 HydrophobicContact CG-CE2 3.49Å; M653-F655 VanDerWaalsContact CG-CE2 3.49Å; M653-F655 HydrophobicContact CG-CZ 4.26Å; M653-F655 WeakPolarHBondContact O-CD2 3.26Å; M653-F655 PolarHBondContact O-N 2.81Å; M653-F655 HydrophobicContact SD-CE2 3.53Å; M653-F655 VanDerWaalsContact SD-CE2 3.53Å; M653-F655 HydrophobicContact SD-CZ 3.86Å; M653-S686 CarbonylContact C-O 3.56Å; M653-S686 WeakPolarHBondContact CA-O 3.33Å |
| 654 | F | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.2 | -169.7 | -166.1 | -162.3 | 0 | 0 | 0 | 110.4 | R611 A613 L625 V626 F629 V680 A683 S686 V687 G688 | R611-F654 HydrophobicContact CB-CD2 3.99Å; R611-F654 CarbonylContact O-C 3.55Å; A613-F654 HydrophobicContact CB-CE2 3.99Å; A613-F654 HydrophobicContact CB-CZ 4.15Å; L625-F654 HydrophobicContact CB-CE1 4.12Å; L625-F654 HydrophobicContact CB-CE2 4.28Å; L625-F654 HydrophobicContact CB-CZ 3.59Å; L625-F654 HydrophobicContact CD1-CE2 4.03Å; L625-F654 HydrophobicContact CD1-CZ 3.94Å; L625-F654 HydrophobicContact CG-CZ 4.43Å; V626-F654 HydrophobicContact CG2-CE1 4.05Å; F629-F654 HydrophobicContact CD2-CD1 4.46Å; F654-V680 HydrophobicContact CB-CG1 4.23Å; F654-V680 HydrophobicContact CD1-CB 4.4Å; F654-V680 HydrophobicContact CD1-CG1 4.03Å; F654-V680 HydrophobicContact CD1-CG2 4.18Å; F654-V680 HydrophobicContact CE1-CG2 4.06Å; F654-V680 HydrophobicContact CG-CG1 4.12Å; F654-V680 HydrophobicContact CZ-CG2 4.33Å; F654-V680 WeakPolarHBondContact O-CG1 3.45Å; F654-A683 HydrophobicContact CD1-CB 3.82Å; F654-A683 HydrophobicContact CE1-CB 4.32Å; F654-S686 PolarHBondContact N-O 3.45Å; F654-V687 CarbonylContact O-C 3.54Å; F654-V687 WeakPolarHBondContact O-CA 3.08Å; F654-G688 PolarHBondContact O-N 3Å |
| 655 | F | 97.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.8 | 179.8 | -81.6 | -99.6 | 0 | 0 | 0 | 111.6 | C146 V610 R611 A613 M653 V657 T658 G688 | C146-F655 HydrophobicContact CB-CZ 4.46Å; V610-F655 HydrophobicContact CG1-CD2 3.86Å; V610-F655 HydrophobicContact CG1-CE2 4.15Å; V610-F655 HydrophobicContact CG2-CE2 4.39Å; R611-F655 PolarHBondContact O-N 2.85Å; A613-F655 WeakPolarHBondContact CB-O 3.3Å; A613-F655 PolarHBondContact N-O 2.88Å; M653-F655 HydrophobicContact CB-CE2 4.33Å; M653-F655 HydrophobicContact CG-CD2 4.07Å; M653-F655 HydrophobicContact CG-CE2 3.49Å; M653-F655 VanDerWaalsContact CG-CE2 3.49Å; M653-F655 HydrophobicContact CG-CZ 4.26Å; M653-F655 WeakPolarHBondContact O-CD2 3.26Å; M653-F655 PolarHBondContact O-N 2.81Å; M653-F655 HydrophobicContact SD-CE2 3.53Å; M653-F655 VanDerWaalsContact SD-CE2 3.53Å; M653-F655 HydrophobicContact SD-CZ 3.86Å; F655-V657 WeakPolarHBondContact CD1-O 3.44Å; F655-T658 HydrophobicContact CB-CG2 3.64Å; F655-T658 HydrophobicContact CD1-CG2 4.1Å; F655-T658 HydrophobicContact CD2-CG2 4.2Å; F655-T658 HydrophobicContact CG-CG2 3.72Å; F655-G688 CarbonylContact C-O 3.54Å; F655-G688 VanDerWaalsContact CA-O 3.22Å; F655-G688 WeakPolarHBondContact CA-O 3.44Å |
| 656 | D | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -67.4 | -42.6 | 162.5 | 51.6 | 35.3 | 0 | 0 | 0 | 111 | M614 T676 V680 G688 S689 R734 | M614-D656 WeakPolarHBondContact CG-O 3.5Å; D656-T676 HydrophobicContact CB-CG2 4.1Å; D656-V680 HydrophobicContact CB-CG2 4.17Å; D656-G688 PolarHBondContact N-O 2.87Å; D656-S689 VanDerWaalsContact OD1-CA 3.26Å; D656-S689 WeakPolarHBondContact OD1-CA 3.08Å; D656-S689 WeakPolarHBondContact OD1-CB 3.36Å; D656-S689 PolarHBondContact OD1-OG 3.17Å; D656-S689 PolarHBondContact OD2-OG 2.81Å; D656-R734 IonicContact OD2-CZ 2.8Å; D656-R734 IonicContact OD2-NH1 3.29Å; D656-R734 PolarHBondContact OD2-NH1 2.86Å; D656-R734 IonicContact OD2-NH2 2.73Å; D656-R734 PolarHBondContact OD2-NH2 2.84Å |
| 657 | V | 96.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | trans | -146.2 | 129 | 171.9 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | M614 F655 N661 P664 S689 S690 Y693 | M614-V657 HydrophobicContact CG-CG2 4.28Å; F655-V657 WeakPolarHBondContact CD1-O 3.44Å; V657-N661 HydrophobicContact CG2-CB 3.61Å; V657-P664 HydrophobicContact CB-CG 4.11Å; V657-P664 HydrophobicContact CG2-CG 3.67Å; V657-S689 CarbonylContact O-C 3.59Å; V657-S690 PolarHBondContact O-N 2.99Å; V657-S690 PolarHBondContact O-OG 2.93Å; V657-Y693 HydrophobicContact CB-CD2 3.92Å; V657-Y693 HydrophobicContact CB-CE2 4.35Å; V657-Y693 HydrophobicContact CG1-CD2 3.45Å; V657-Y693 VanDerWaalsContact CG1-CD2 3.45Å; V657-Y693 HydrophobicContact CG1-CE2 4.31Å; V657-Y693 HydrophobicContact CG1-CG 3.82Å | ||
| 658 | T | 95.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -86.8 | 165.6 | 166.9 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | V610 E612 F655 D660 N661 S690 | V610-T658 HydrophobicContact CG1-CG2 4.15Å; E612-T658 HydrophobicContact CG-CG2 3.71Å; E612-T658 WeakPolarHBondContact OE1-CB 3.32Å; E612-T658 WeakPolarHBondContact OE1-CG2 3.22Å; E612-T658 PolarHBondContact OE1-OG1 3.28Å; F655-T658 HydrophobicContact CB-CG2 3.64Å; F655-T658 HydrophobicContact CD1-CG2 4.1Å; F655-T658 HydrophobicContact CD2-CG2 4.2Å; F655-T658 HydrophobicContact CG-CG2 3.72Å; T658-D660 PolarHBondContact O-N 3.35Å; T658-N661 PolarHBondContact N-OD1 3.42Å; T658-N661 WeakPolarHBondContact O-CB 3.23Å; T658-N661 PolarHBondContact O-N 3.13Å; T658-N661 PolarHBondContact OG1-ND2 2.92Å; T658-N661 PolarHBondContact OG1-OD1 3.14Å; T658-S690 WeakPolarHBondContact CA-OG 3.3Å | ||
| 659 | H | 92.9 | Very high | 92 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.069 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.2 | -178.9 | 57 | -92.1 | 0 | 0 | 0 | 112.8 | T148 L150 Y190 S690 | T148-H659 HydrophobicContact CG2-CB 4.28Å; L150-H659 HydrophobicContact CD2-CB 4.34Å; Y190-H659 AromaticContact CE2-NE2 3.62Å; Y190-H659 AromaticContact CZ-NE2 3.53Å; Y190-H659 PolarHBondContact OH-CE1 3.11Å; Y190-H659 PolarHBondContact OH-NE2 3.17Å; H659-S690 PolarHBondContact N-OG 2.9Å; H659-S690 VanDerWaalsContact N-OG 3.07Å |
| 660 | D | 88.1 | Confident | 92.2 | Very high | 71 Ų | 71 | 25 Ų | 25 | 38% | 0.38 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -13.8 | 176 | -64.6 | -41.6 | 0 | 0 | 0 | 113.4 | T658 Q700 | T658-D660 PolarHBondContact O-N 3.35Å; D660-Q700 PolarHBondContact O-NE2 2.7Å |
| 661 | N | 91.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -69.2 | 148.6 | -179.6 | -71.9 | 162.9 | 0 | 0 | 0 | 112.3 | E612 M614 V657 T658 Q700 | E612-N661 PolarHBondContact OE2-ND2 2.68Å; M614-N661 HydrophobicContact CB-CB 4.3Å; M614-N661 WeakPolarHBondContact CB-OD1 3.38Å; M614-N661 HydrophobicContact CG-CB 4.1Å; M614-N661 WeakPolarHBondContact CG-OD1 3.47Å; V657-N661 HydrophobicContact CG2-CB 3.61Å; T658-N661 PolarHBondContact N-OD1 3.42Å; T658-N661 WeakPolarHBondContact O-CB 3.23Å; T658-N661 PolarHBondContact O-N 3.13Å; T658-N661 PolarHBondContact OG1-ND2 2.92Å; T658-N661 PolarHBondContact OG1-OD1 3.14Å; N661-Q700 PolarHBondContact O-NE2 3.21Å |
| 662 | P | 88.7 | Confident | 92.5 | Very high | 61 Ų | 61 | 25.3 Ų | 25.3 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | P | Polyproline II helix | trans | -65 | 158.3 | 170.6 | 29.8 | -36 | 0 | 0 | 0 | 111 | M614 P664 V667 | M614-P662 HydrophobicContact CE-CG 4.26Å; P662-P664 WeakPolarHBondContact O-CD 3.21Å; P662-P664 VanDerWaalsContact O-N 3.12Å; P662-V667 HydrophobicContact CB-CG2 3.78Å; P662-V667 HydrophobicContact CG-CG2 3.77Å |
| 663 | C | 90.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 116.4 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | I665 K666 V667 Y699 | C663-I665 VanDerWaalsContact C-N 3.26Å; C663-I665 PolarHBondContact O-N 2.79Å; C663-K666 HydrophobicContact CB-CB 4.27Å; C663-K666 HydrophobicContact CB-CD 4.26Å; C663-K666 HydrophobicContact CB-CG 4.15Å; C663-K666 PolarHBondContact O-N 3.4Å; C663-V667 PolarHBondContact O-N 3.46Å; C663-V667 VanDerWaalsContact O-N 3.13Å; C663-Y699 PolarHBondContact SG-N 3.03Å; C663-Y699 VanDerWaalsContact SG-N 3.39Å |
| 664 | P | 91.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | -176.9 | -27.8 | 37.3 | 0 | 0 | 0 | 113.1 | M614 V657 P662 K666 V667 R668 Y693 | M614-P664 HydrophobicContact CE-CB 4.27Å; M614-P664 HydrophobicContact CE-CG 4.2Å; M614-P664 HydrophobicContact SD-CB 3.97Å; M614-P664 HydrophobicContact SD-CG 3.9Å; V657-P664 HydrophobicContact CB-CG 4.11Å; V657-P664 HydrophobicContact CG2-CG 3.67Å; P662-P664 WeakPolarHBondContact O-CD 3.21Å; P662-P664 VanDerWaalsContact O-N 3.12Å; P664-K666 PolarHBondContact O-N 3.32Å; P664-V667 PolarHBondContact O-N 2.58Å; P664-R668 WeakPolarHBondContact O-CA 3.2Å; P664-R668 WeakPolarHBondContact O-CB 3.36Å; P664-R668 PolarHBondContact O-N 2.75Å; P664-Y693 HydrophobicContact CB-CD2 4.5Å; P664-Y693 HydrophobicContact CB-CE2 4.03Å; P664-Y693 HydrophobicContact CG-CD2 3.9Å; P664-Y693 HydrophobicContact CG-CE2 3.81Å |
| 665 | I | 91.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -32.3 | 177.9 | -63.7 | 175.4 | 0 | 0 | 0 | 111.9 | C663 V670 L696 L844 | C663-I665 VanDerWaalsContact C-N 3.26Å; C663-I665 PolarHBondContact O-N 2.79Å; I665-V670 HydrophobicContact CD1-CG2 4.25Å; I665-V670 HydrophobicContact CG1-CB 4.36Å; I665-V670 HydrophobicContact CG1-CG2 4.45Å; I665-V670 HydrophobicContact CG2-CB 4.14Å; I665-L696 HydrophobicContact CD1-CB 4.18Å; I665-L844 HydrophobicContact CD1-CD1 4.03Å |
| 666 | K | 86.9 | Confident | 92.5 | Very high | 149 Ų | 149 | 25.2 Ų | 25.2 | 65% | 0.648 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -84.8 | -36.9 | 179.7 | -69.4 | -172.4 | -179.2 | 177.6 | 0 | 113 | C663 P664 P698 | C663-K666 HydrophobicContact CB-CB 4.27Å; C663-K666 HydrophobicContact CB-CD 4.26Å; C663-K666 HydrophobicContact CB-CG 4.15Å; C663-K666 PolarHBondContact O-N 3.4Å; P664-K666 PolarHBondContact O-N 3.32Å; K666-P698 WeakPolarHBondContact CE-O 3.19Å |
| 667 | V | 87 | Confident | 92.5 | Very high | 83 Ų | 83 | 25.2 Ų | 25.2 | 50% | 0.503 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -80.3 | -37.9 | -177.2 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | M614 P662 C663 P664 | M614-V667 HydrophobicContact CE-CB 4.18Å; M614-V667 HydrophobicContact CE-CG1 4.31Å; M614-V667 HydrophobicContact CE-CG2 4.49Å; P662-V667 HydrophobicContact CB-CG2 3.78Å; P662-V667 HydrophobicContact CG-CG2 3.77Å; C663-V667 PolarHBondContact O-N 3.46Å; C663-V667 VanDerWaalsContact O-N 3.13Å; P664-V667 PolarHBondContact O-N 2.58Å |
| 668 | R | 90.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -111.7 | -108.8 | 178.4 | -59.8 | -178 | -175.9 | -179.5 | -3.1 | 109.6 | A613 A616 P664 D672 T676 F783 P785 | A613-R668 PolarHBondContact O-NH2 3.45Å; A616-R668 PolarHBondContact O-NH2 3.38Å; P664-R668 WeakPolarHBondContact O-CA 3.2Å; P664-R668 WeakPolarHBondContact O-CB 3.36Å; P664-R668 PolarHBondContact O-N 2.75Å; R668-D672 HydrophobicContact CB-CB 4.11Å; R668-D672 WeakPolarHBondContact CD-OD2 3.42Å; R668-D672 IonicContact CZ-OD2 3.58Å; R668-D672 IonicContact NE-OD2 3.14Å; R668-D672 IonicContact NH1-OD2 2.76Å; R668-D672 PolarHBondContact NH1-OD2 3.37Å; R668-T676 PolarHBondContact NH1-OG1 3.42Å; R668-F783 VanDerWaalsContact CA-O 3.24Å; R668-F783 WeakPolarHBondContact CA-O 3.13Å; R668-F783 HydrophobicContact CG-CD1 4.49Å; R668-F783 HydrophobicContact CG-CG 4.45Å; R668-F783 VanDerWaalsContact CZ-CE1 3.42Å; R668-P785 WeakPolarHBondContact O-CD 3.22Å; R668-P785 WeakPolarHBondContact O-CG 3.42Å |
| 669 | S | 91.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | trans | -155.9 | 164.8 | 170.5 | 75.3 | 0 | 0 | 0 | 0 | 110.1 | Y671 D672 C782 | S669-Y671 PolarHBondContact O-N 2.94Å; S669-Y671 PolarHBondContact OG-N 3.34Å; S669-D672 PolarHBondContact O-N 2.83Å; S669-D672 VanDerWaalsContact O-N 3.12Å; S669-D672 PolarHBondContact OG-N 3.08Å; S669-C782 WeakPolarHBondContact CB-O 3.44Å; S669-C782 WeakPolarHBondContact OG-CB 3.44Å; S669-C782 PolarHBondContact OG-O 2.94Å; S669-C782 PolarHBondContact OG-SG 2.98Å | ||
| 670 | V | 92.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -61.1 | -28.1 | 171.2 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | I665 D672 S673 L696 L812 L844 Y847 | I665-V670 HydrophobicContact CD1-CG2 4.25Å; I665-V670 HydrophobicContact CG1-CB 4.36Å; I665-V670 HydrophobicContact CG1-CG2 4.45Å; I665-V670 HydrophobicContact CG2-CB 4.14Å; V670-D672 PolarHBondContact O-N 3.29Å; V670-S673 PolarHBondContact O-N 2.94Å; V670-L696 HydrophobicContact CG2-CD1 4.26Å; V670-L696 HydrophobicContact CG2-CD2 4.36Å; V670-L812 HydrophobicContact CG2-CD2 3.81Å; V670-L844 HydrophobicContact CG2-CD1 4Å; V670-Y847 HydrophobicContact CG1-CD1 4.08Å; V670-Y847 HydrophobicContact CG1-CE1 3.43Å; V670-Y847 VanDerWaalsContact CG1-CE1 3.43Å; V670-Y847 HydrophobicContact CG1-CE2 4.29Å; V670-Y847 HydrophobicContact CG2-CD1 4.31Å; V670-Y847 HydrophobicContact CG2-CD2 4.27Å; V670-Y847 HydrophobicContact CG2-CE1 4.38Å; V670-Y847 HydrophobicContact CG2-CE2 4.35Å; V670-Y847 HydrophobicContact CG2-CG 4.25Å |
| 671 | Y | 93.9 | Very high | 93 | Very high | 38 Ų | 38 | 20.6 Ų | 20.6 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -76 | -12.2 | 178.3 | -65.5 | -79.3 | 0 | 0 | 0 | 112.7 | S669 P675 M788 L812 Y847 P883 S884 | S669-Y671 PolarHBondContact O-N 2.94Å; S669-Y671 PolarHBondContact OG-N 3.34Å; Y671-P675 VanDerWaalsContact O-CD 3.27Å; Y671-P675 WeakPolarHBondContact O-CD 3.42Å; Y671-P675 WeakPolarHBondContact O-CG 3.4Å; Y671-M788 HydrophobicContact CD2-CE 4.43Å; Y671-M788 HydrophobicContact CD2-CG 3.65Å; Y671-M788 HydrophobicContact CD2-SD 3.41Å; Y671-M788 WeakPolarHBondContact CD2-SD 3.34Å; Y671-M788 HydrophobicContact CE2-CG 3.95Å; Y671-M788 HydrophobicContact CE2-SD 3.27Å; Y671-M788 WeakPolarHBondContact CE2-SD 3.5Å; Y671-L812 HydrophobicContact CD1-CB 4.28Å; Y671-L812 WeakPolarHBondContact CE1-O 3.3Å; Y671-Y847 HydrophobicContact CE2-CE1 4.18Å; Y671-Y847 AromaticContact CZ-CE1 3.93Å; Y671-P883 HydrophobicContact CG-CB 4.33Å; Y671-S884 VanDerWaalsContact O-CA 3.29Å; Y671-S884 WeakPolarHBondContact O-CA 3.25Å; Y671-S884 WeakPolarHBondContact O-CB 3.49Å |
| 672 | D | 94.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -83.9 | -21 | 174 | -163.7 | 63.6 | 0 | 0 | 0 | 112.9 | R668 S669 V670 L674 P675 T676 N781 C782 F783 | R668-D672 HydrophobicContact CB-CB 4.11Å; R668-D672 WeakPolarHBondContact CD-OD2 3.42Å; R668-D672 IonicContact CZ-OD2 3.58Å; R668-D672 IonicContact NE-OD2 3.14Å; R668-D672 IonicContact NH1-OD2 2.76Å; R668-D672 PolarHBondContact NH1-OD2 3.37Å; S669-D672 PolarHBondContact O-N 2.83Å; S669-D672 VanDerWaalsContact O-N 3.12Å; S669-D672 PolarHBondContact OG-N 3.08Å; V670-D672 PolarHBondContact O-N 3.29Å; D672-L674 PolarHBondContact O-N 3.18Å; D672-P675 VanDerWaalsContact O-CD 3.26Å; D672-P675 WeakPolarHBondContact O-CD 3.44Å; D672-P675 WeakPolarHBondContact O-CG 3.25Å; D672-T676 VanDerWaalsContact O-CB 3.24Å; D672-T676 WeakPolarHBondContact O-CB 3.33Å; D672-T676 PolarHBondContact O-N 3.13Å; D672-T676 PolarHBondContact O-OG1 2.63Å; D672-T676 PolarHBondContact OD2-OG1 3.39Å; D672-N781 WeakPolarHBondContact OD1-CB 3.43Å; D672-N781 PolarHBondContact OD1-ND2 2.84Å; D672-C782 HydrophobicContact CB-CB 4.48Å; D672-C782 PolarHBondContact OD1-N 3.26Å; D672-F783 VanDerWaalsContact OD1-CD2 3.31Å; D672-F783 WeakPolarHBondContact OD1-CD2 3.45Å |
| 673 | S | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | -172.3 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | V670 A677 Y693 | V670-S673 PolarHBondContact O-N 2.94Å; S673-A677 WeakPolarHBondContact O-CB 3.39Å; S673-A677 PolarHBondContact O-N 2.9Å; S673-Y693 VanDerWaalsContact CA-OH 3.23Å; S673-Y693 WeakPolarHBondContact CA-OH 3.34Å; S673-Y693 WeakPolarHBondContact O-CE1 3.42Å; S673-Y693 PolarHBondContact O-OH 3.39Å |
| 674 | L | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.7 | -56.5 | 178.4 | 178.4 | 62.3 | 0 | 0 | 0 | 113.2 | D672 T676 A677 V678 I730 A733 F737 C810 L849 V886 | D672-L674 PolarHBondContact O-N 3.18Å; L674-T676 VanDerWaalsContact C-N 3.35Å; L674-T676 PolarHBondContact O-N 3.36Å; L674-A677 PolarHBondContact O-N 3.05Å; L674-V678 HydrophobicContact CD1-CG2 4.4Å; L674-V678 WeakPolarHBondContact O-CG2 3.17Å; L674-V678 PolarHBondContact O-N 2.74Å; L674-I730 HydrophobicContact CB-CG2 4.43Å; L674-I730 HydrophobicContact CD1-CG2 4.48Å; L674-A733 HydrophobicContact CD1-CB 3.75Å; L674-F737 HydrophobicContact CD1-CE1 4.3Å; L674-C810 HydrophobicContact CD2-CB 4.27Å; L674-L849 HydrophobicContact CD1-CD1 4.42Å; L674-L849 HydrophobicContact CD2-CD1 3.81Å; L674-V886 HydrophobicContact CD2-CG2 4.5Å; L674-V886 HydrophobicContact CG-CG2 4.11Å |
| 675 | P | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | -178.7 | 25.2 | -35.9 | 0 | 0 | 0 | 112.5 | Y671 D672 A677 V678 M679 L779 R780 V886 | Y671-P675 VanDerWaalsContact O-CD 3.27Å; Y671-P675 WeakPolarHBondContact O-CD 3.42Å; Y671-P675 WeakPolarHBondContact O-CG 3.4Å; D672-P675 VanDerWaalsContact O-CD 3.26Å; D672-P675 WeakPolarHBondContact O-CD 3.44Å; D672-P675 WeakPolarHBondContact O-CG 3.25Å; P675-A677 PolarHBondContact O-N 2.73Å; P675-V678 PolarHBondContact O-N 3.34Å; P675-M679 WeakPolarHBondContact O-CB 3.29Å; P675-M679 PolarHBondContact O-N 3.31Å; P675-L779 HydrophobicContact CB-CB 4.38Å; P675-R780 WeakPolarHBondContact CG-O 3.44Å; P675-V886 HydrophobicContact CB-CG2 4.15Å |
| 676 | T | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 175.7 | -79.3 | 0 | 0 | 0 | 0 | 112.3 | A613 Q622 D656 R668 D672 L674 M679 V680 N781 | A613-T676 HydrophobicContact CB-CG2 4.39Å; Q622-T676 PolarHBondContact OE1-OG1 3.48Å; D656-T676 HydrophobicContact CB-CG2 4.1Å; R668-T676 PolarHBondContact NH1-OG1 3.42Å; D672-T676 VanDerWaalsContact O-CB 3.24Å; D672-T676 WeakPolarHBondContact O-CB 3.33Å; D672-T676 PolarHBondContact O-N 3.13Å; D672-T676 PolarHBondContact O-OG1 2.63Å; D672-T676 PolarHBondContact OD2-OG1 3.39Å; L674-T676 VanDerWaalsContact C-N 3.35Å; L674-T676 PolarHBondContact O-N 3.36Å; T676-M679 WeakPolarHBondContact O-CB 3.48Å; T676-M679 PolarHBondContact O-N 3.12Å; T676-V680 WeakPolarHBondContact O-CG2 3.34Å; T676-V680 PolarHBondContact O-N 3.43Å; T676-N781 PolarHBondContact OG1-ND2 3.43Å |
| 677 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S673 L674 P675 M679 V680 N681 Y693 I730 F737 | S673-A677 WeakPolarHBondContact O-CB 3.39Å; S673-A677 PolarHBondContact O-N 2.9Å; L674-A677 PolarHBondContact O-N 3.05Å; P675-A677 PolarHBondContact O-N 2.73Å; A677-M679 VanDerWaalsContact C-N 3.33Å; A677-M679 PolarHBondContact O-N 2.89Å; A677-V680 PolarHBondContact O-N 3.18Å; A677-N681 PolarHBondContact O-N 3.07Å; A677-N681 PolarHBondContact O-OD1 3.02Å; A677-N681 VanDerWaalsContact O-OD1 3.11Å; A677-Y693 HydrophobicContact CB-CE1 4.14Å; A677-I730 HydrophobicContact CB-CD1 4.45Å; A677-F737 HydrophobicContact CB-CE1 4.39Å; A677-F737 HydrophobicContact CB-CE2 3.91Å; A677-F737 HydrophobicContact CB-CZ 3.51Å |
| 678 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L674 P675 N681 S682 F737 Y777 L779 V886 | L674-V678 HydrophobicContact CD1-CG2 4.4Å; L674-V678 WeakPolarHBondContact O-CG2 3.17Å; L674-V678 PolarHBondContact O-N 2.74Å; P675-V678 PolarHBondContact O-N 3.34Å; V678-N681 PolarHBondContact O-N 2.84Å; V678-S682 PolarHBondContact O-N 3.43Å; V678-F737 HydrophobicContact CG2-CB 4.49Å; V678-F737 HydrophobicContact CG2-CD1 3.61Å; V678-F737 HydrophobicContact CG2-CE1 3.87Å; V678-F737 HydrophobicContact CG2-CG 4.07Å; V678-F737 HydrophobicContact CG2-CZ 4.47Å; V678-Y777 HydrophobicContact CG1-CD1 3.66Å; V678-Y777 HydrophobicContact CG1-CE1 4.18Å; V678-L779 HydrophobicContact CB-CD2 4.04Å; V678-L779 HydrophobicContact CG1-CD2 3.69Å; V678-V886 HydrophobicContact CB-CG1 4.33Å; V678-V886 HydrophobicContact CB-CG2 4.46Å; V678-V886 HydrophobicContact CG1-CG1 3.91Å; V678-V886 HydrophobicContact CG2-CG1 4.12Å; V678-V886 HydrophobicContact CG2-CG2 4.27Å |
| 679 | M | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 175.6 | -169.6 | 162.1 | -169.8 | 0 | 0 | 111.6 | Q622 V626 P675 T676 A677 S682 T762 I764 L779 | Q622-M679 HydrophobicContact CB-CE 4.2Å; Q622-M679 HydrophobicContact CB-SD 4.28Å; Q622-M679 HydrophobicContact CG-CE 4.12Å; Q622-M679 HydrophobicContact CG-CG 4.38Å; Q622-M679 HydrophobicContact CG-SD 3.79Å; V626-M679 HydrophobicContact CG2-CE 4.18Å; V626-M679 HydrophobicContact CG2-CG 3.7Å; V626-M679 WeakPolarHBondContact CG2-O 3.31Å; P675-M679 WeakPolarHBondContact O-CB 3.29Å; P675-M679 PolarHBondContact O-N 3.31Å; T676-M679 WeakPolarHBondContact O-CB 3.48Å; T676-M679 PolarHBondContact O-N 3.12Å; A677-M679 VanDerWaalsContact C-N 3.33Å; A677-M679 PolarHBondContact O-N 2.89Å; M679-S682 PolarHBondContact O-N 2.89Å; M679-S682 PolarHBondContact O-OG 3.49Å; M679-T762 HydrophobicContact CE-CG2 4.02Å; M679-I764 HydrophobicContact CE-CD1 4.37Å; M679-I764 HydrophobicContact CG-CD1 3.89Å; M679-L779 HydrophobicContact CB-CD1 3.59Å; M679-L779 HydrophobicContact CG-CD1 4.01Å |
| 680 | V | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 176.2 | 169 | 0 | 0 | 0 | 0 | 111 | A613 F654 D656 T676 A677 S682 A683 V687 | A613-V680 HydrophobicContact CB-CG2 3.81Å; F654-V680 HydrophobicContact CB-CG1 4.23Å; F654-V680 HydrophobicContact CD1-CB 4.4Å; F654-V680 HydrophobicContact CD1-CG1 4.03Å; F654-V680 HydrophobicContact CD1-CG2 4.18Å; F654-V680 HydrophobicContact CE1-CG2 4.06Å; F654-V680 HydrophobicContact CG-CG1 4.12Å; F654-V680 HydrophobicContact CZ-CG2 4.33Å; F654-V680 WeakPolarHBondContact O-CG1 3.45Å; D656-V680 HydrophobicContact CB-CG2 4.17Å; T676-V680 WeakPolarHBondContact O-CG2 3.34Å; T676-V680 PolarHBondContact O-N 3.43Å; A677-V680 PolarHBondContact O-N 3.18Å; V680-S682 PolarHBondContact O-N 3.5Å; V680-S682 VanDerWaalsContact O-N 3.12Å; V680-A683 VanDerWaalsContact O-CB 3.22Å; V680-A683 WeakPolarHBondContact O-CB 3.22Å; V680-A683 PolarHBondContact O-N 2.83Å; V680-V687 HydrophobicContact CG1-CB 4.05Å; V680-V687 HydrophobicContact CG1-CG1 3.84Å; V680-V687 WeakPolarHBondContact O-CG1 3.49Å |
| 681 | N | 94.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 4.2 Ų | 4.2 | 2% | 0.021 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.7 | -18.3 | 175.7 | -82.9 | 67.5 | 0 | 0 | 0 | 114.5 | A677 V678 A683 R734 F737 N738 H741 | A677-N681 PolarHBondContact O-N 3.07Å; A677-N681 PolarHBondContact O-OD1 3.02Å; A677-N681 VanDerWaalsContact O-OD1 3.11Å; V678-N681 PolarHBondContact O-N 2.84Å; N681-A683 VanDerWaalsContact C-N 3.35Å; N681-R734 PolarHBondContact OD1-NH1 3.25Å; N681-F737 HydrophobicContact CB-CD2 4.07Å; N681-F737 WeakPolarHBondContact ND2-CD2 3.14Å; N681-F737 PolarHBondContact ND2-O 3.48Å; N681-N738 PolarHBondContact ND2-OD1 3.12Å; N681-H741 HydrophobicContact CB-CB 4.37Å; N681-H741 PolarHBondContact O-ND1 3.36Å |
| 682 | S | 94.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.007 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.6 | 174.9 | 77.6 | 0 | 0 | 0 | 0 | 114 | V678 M679 V680 G684 I764 R766 | V678-S682 PolarHBondContact O-N 3.43Å; M679-S682 PolarHBondContact O-N 2.89Å; M679-S682 PolarHBondContact O-OG 3.49Å; V680-S682 PolarHBondContact O-N 3.5Å; V680-S682 VanDerWaalsContact O-N 3.12Å; S682-G684 PolarHBondContact O-N 3.09Å; S682-G684 VanDerWaalsContact O-N 3.15Å; S682-I764 WeakPolarHBondContact OG-CD1 3.38Å; S682-R766 WeakPolarHBondContact O-CD 3.25Å; S682-R766 PolarHBondContact O-NH1 3.28Å |
| 683 | A | 90.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -76.1 | 5.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | V626 F629 G630 F654 V680 N681 C685 | V626-A683 HydrophobicContact CB-CB 4.38Å; V626-A683 HydrophobicContact CG1-CB 4.13Å; V626-A683 HydrophobicContact CG2-CB 4.32Å; F629-A683 CarbonylContact C-O 3.55Å; G630-A683 WeakPolarHBondContact CA-O 3.49Å; G630-A683 PolarHBondContact N-O 3.19Å; G630-A683 VanDerWaalsContact N-O 3.13Å; F654-A683 HydrophobicContact CD1-CB 3.82Å; F654-A683 HydrophobicContact CE1-CB 4.32Å; V680-A683 VanDerWaalsContact O-CB 3.22Å; V680-A683 WeakPolarHBondContact O-CB 3.22Å; V680-A683 PolarHBondContact O-N 2.83Å; N681-A683 VanDerWaalsContact C-N 3.35Å; A683-C685 PolarHBondContact O-N 3.41Å |
| 684 | G | 87.4 | Confident | 95.3 | Very high | 14 Ų | 14 | 3.2 Ų | 3.2 | 14% | 0.144 | 2% | 0.022 | C | C | . | . | S | Bend | trans | 59.9 | 16.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S682 R766 | S682-G684 PolarHBondContact O-N 3.09Å; S682-G684 VanDerWaalsContact O-N 3.15Å; G684-R766 VanDerWaalsContact CA-NH1 3.27Å; G684-R766 VanDerWaalsContact CA-NH2 3.35Å |
| 685 | C | 93.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 3.7 Ų | 3.7 | 3% | 0.034 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -128.6 | 173.2 | 177.9 | 67.3 | 0 | 0 | 0 | 0 | 109.2 | Q142 F629 A652 A683 V687 H741 | Q142-C685 CarbonylContact O-C 3.51Å; F629-C685 HydrophobicContact CB-CB 4.2Å; A652-C685 HydrophobicContact CB-CB 4.49Å; A683-C685 PolarHBondContact O-N 3.41Å; C685-V687 WeakPolarHBondContact O-CG1 3.28Å; C685-V687 PolarHBondContact O-N 2.71Å; C685-H741 PolarHBondContact O-CE1 3.21Å; C685-H741 PolarHBondContact O-NE2 3.42Å |
| 686 | S | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 142.5 | 171.9 | -42.2 | 0 | 0 | 0 | 0 | 109.9 | L141 Q142 M144 A652 M653 F654 | L141-S686 PolarHBondContact O-OG 3.26Å; Q142-S686 PolarHBondContact O-N 2.92Å; M144-S686 CarbonylContact O-C 3.58Å; M144-S686 VanDerWaalsContact O-CA 3.31Å; M144-S686 WeakPolarHBondContact O-CA 3.27Å; A652-S686 PolarHBondContact O-N 2.9Å; M653-S686 CarbonylContact C-O 3.56Å; M653-S686 WeakPolarHBondContact CA-O 3.33Å; F654-S686 PolarHBondContact N-O 3.45Å |
| 687 | V | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 4.1 Ų | 4.1 | 1% | 0.012 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.6 | -179.1 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | M144 E145 C146 F654 V680 C685 | M144-V687 PolarHBondContact O-N 2.95Å; E145-V687 HydrophobicContact CB-CG2 3.92Å; E145-V687 HydrophobicContact CG-CG2 3.72Å; C146-V687 PolarHBondContact N-O 2.84Å; F654-V687 CarbonylContact O-C 3.54Å; F654-V687 WeakPolarHBondContact O-CA 3.08Å; V680-V687 HydrophobicContact CG1-CB 4.05Å; V680-V687 HydrophobicContact CG1-CG1 3.84Å; V680-V687 WeakPolarHBondContact O-CG1 3.49Å; C685-V687 WeakPolarHBondContact O-CG1 3.28Å; C685-V687 PolarHBondContact O-N 2.71Å |
| 688 | G | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C146 F654 F655 D656 | C146-G688 CarbonylContact O-C 3.56Å; C146-G688 VanDerWaalsContact O-CA 3.22Å; C146-G688 WeakPolarHBondContact O-CA 2.9Å; F654-G688 PolarHBondContact O-N 3Å; F655-G688 CarbonylContact C-O 3.54Å; F655-G688 VanDerWaalsContact CA-O 3.22Å; F655-G688 WeakPolarHBondContact CA-O 3.44Å; D656-G688 PolarHBondContact N-O 2.87Å |
| 689 | S | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 170.1 | 165.7 | -163.2 | 0 | 0 | 0 | 0 | 110.9 | C146 Q147 T148 Y172 D656 V657 | C146-S689 PolarHBondContact O-N 3.35Å; Q147-S689 CarbonylContact C-O 3.6Å; Q147-S689 WeakPolarHBondContact CA-O 3.41Å; T148-S689 PolarHBondContact N-O 3.47Å; Y172-S689 WeakPolarHBondContact OH-CB 3.4Å; D656-S689 VanDerWaalsContact OD1-CA 3.26Å; D656-S689 WeakPolarHBondContact OD1-CA 3.08Å; D656-S689 WeakPolarHBondContact OD1-CB 3.36Å; D656-S689 PolarHBondContact OD1-OG 3.17Å; D656-S689 PolarHBondContact OD2-OG 2.81Å; V657-S689 CarbonylContact O-C 3.59Å |
| 690 | S | 97 | Very high | 94.3 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 8% | 0.077 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.7 | 171.9 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | V657 T658 H659 G692 Y693 | V657-S690 PolarHBondContact O-N 2.99Å; V657-S690 PolarHBondContact O-OG 2.93Å; T658-S690 WeakPolarHBondContact CA-OG 3.3Å; H659-S690 PolarHBondContact N-OG 2.9Å; H659-S690 VanDerWaalsContact N-OG 3.07Å; S690-G692 PolarHBondContact O-N 3.41Å; S690-Y693 WeakPolarHBondContact O-CB 3.46Å; S690-Y693 PolarHBondContact O-N 2.81Å; S690-Y693 VanDerWaalsContact O-N 3.1Å |
| 691 | R | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 127.7 | 179.2 | -166 | 78.5 | -175.4 | 126.2 | 26.1 | 110.7 | Q147 T148 V149 V166 E695 I701 Y710 | Q147-R691 VanDerWaalsContact OE1-CD 3.28Å; T148-R691 WeakPolarHBondContact O-CB 3.41Å; T148-R691 PolarHBondContact O-N 3.46Å; V149-R691 HydrophobicContact CG1-CB 3.87Å; V149-R691 HydrophobicContact CG1-CG 4.07Å; V166-R691 VanDerWaalsContact CB-CZ 3.41Å; R691-E695 IonicContact CZ-OE1 2.88Å; R691-E695 IonicContact NE-OE1 3.68Å; R691-E695 IonicContact NH1-OE1 3.46Å; R691-E695 PolarHBondContact NH1-OE1 2.63Å; R691-E695 IonicContact NH2-OE1 3.36Å; R691-E695 PolarHBondContact NH2-OE1 3.12Å; R691-I701 WeakPolarHBondContact O-CD1 3.17Å; R691-Y710 HydrophobicContact CB-CD1 4.22Å; R691-Y710 HydrophobicContact CB-CE1 3.64Å; R691-Y710 HydrophobicContact CB-CE2 4.33Å; R691-Y710 HydrophobicContact CG-CD1 3.46Å; R691-Y710 VanDerWaalsContact CG-CD1 3.46Å; R691-Y710 HydrophobicContact CG-CD2 4.27Å; R691-Y710 HydrophobicContact CG-CE1 3.42Å; R691-Y710 VanDerWaalsContact CG-CE1 3.42Å; R691-Y710 HydrophobicContact CG-CE2 4.24Å; R691-Y710 HydrophobicContact CG-CG 3.91Å |
| 692 | G | 94.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 16 Ų | 16 | 6% | 0.062 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.6 | -24.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S690 E695 L696 V697 | S690-G692 PolarHBondContact O-N 3.41Å; G692-E695 WeakPolarHBondContact CA-OE2 3.48Å; G692-E695 PolarHBondContact N-OE2 3.42Å; G692-L696 PolarHBondContact O-N 3.29Å; G692-V697 VanDerWaalsContact O-CB 3.28Å; G692-V697 WeakPolarHBondContact O-CB 3.42Å; G692-V697 VanDerWaalsContact O-CG2 3.24Å; G692-V697 WeakPolarHBondContact O-CG2 3.46Å; G692-V697 PolarHBondContact O-N 3.33Å |
| 693 | Y | 96.5 | Very high | 93.6 | Very high | 16 Ų | 16 | 17 Ų | 17 | 6% | 0.063 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -51.9 | 175.4 | -174.2 | -90.8 | 0 | 0 | 0 | 111.5 | V657 P664 S673 A677 S690 E695 L696 I730 | V657-Y693 HydrophobicContact CB-CD2 3.92Å; V657-Y693 HydrophobicContact CB-CE2 4.35Å; V657-Y693 HydrophobicContact CG1-CD2 3.45Å; V657-Y693 VanDerWaalsContact CG1-CD2 3.45Å; V657-Y693 HydrophobicContact CG1-CE2 4.31Å; V657-Y693 HydrophobicContact CG1-CG 3.82Å; P664-Y693 HydrophobicContact CB-CD2 4.5Å; P664-Y693 HydrophobicContact CB-CE2 4.03Å; P664-Y693 HydrophobicContact CG-CD2 3.9Å; P664-Y693 HydrophobicContact CG-CE2 3.81Å; S673-Y693 VanDerWaalsContact CA-OH 3.23Å; S673-Y693 WeakPolarHBondContact CA-OH 3.34Å; S673-Y693 WeakPolarHBondContact O-CE1 3.42Å; S673-Y693 PolarHBondContact O-OH 3.39Å; A677-Y693 HydrophobicContact CB-CE1 4.14Å; S690-Y693 WeakPolarHBondContact O-CB 3.46Å; S690-Y693 PolarHBondContact O-N 2.81Å; S690-Y693 VanDerWaalsContact O-N 3.1Å; Y693-E695 PolarHBondContact O-N 3.13Å; Y693-L696 PolarHBondContact O-N 3.17Å; Y693-I730 HydrophobicContact CD1-CD1 4.32Å; Y693-I730 HydrophobicContact CE1-CD1 4.05Å |
| 694 | D | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.1 | -177.6 | -60.5 | -53.7 | 0 | 0 | 0 | 112.1 | Q147 Y172 L696 G729 I730 I731 R734 | Q147-D694 PolarHBondContact NE2-OD2 3.27Å; Y172-D694 WeakPolarHBondContact CE2-OD2 3.28Å; Y172-D694 PolarHBondContact OH-OD2 3.01Å; D694-L696 VanDerWaalsContact C-N 3.27Å; D694-L696 PolarHBondContact O-N 3.07Å; D694-G729 CarbonylContact O-C 3.57Å; D694-G729 WeakPolarHBondContact O-CA 3.21Å; D694-I730 HydrophobicContact CB-CG1 4.28Å; D694-I730 WeakPolarHBondContact O-CG1 3.32Å; D694-I730 PolarHBondContact O-N 3.03Å; D694-I731 HydrophobicContact CB-CG1 3.96Å; D694-R734 IonicContact OD1-CZ 2.79Å; D694-R734 VanDerWaalsContact OD1-CZ 3.24Å; D694-R734 IonicContact OD1-NE 3.68Å; D694-R734 PolarHBondContact OD1-NE 3.2Å; D694-R734 IonicContact OD1-NH2 3.4Å; D694-R734 PolarHBondContact OD1-NH2 2.82Å; D694-R734 IonicContact OD2-NE 3.5Å |
| 695 | E | 95.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.6 | 174.3 | -64.9 | 74.3 | -162.8 | 0 | 0 | 113.8 | R691 G692 Y693 V697 V724 T728 I731 G843 | R691-E695 IonicContact CZ-OE1 2.88Å; R691-E695 IonicContact NE-OE1 3.68Å; R691-E695 IonicContact NH1-OE1 3.46Å; R691-E695 PolarHBondContact NH1-OE1 2.63Å; R691-E695 IonicContact NH2-OE1 3.36Å; R691-E695 PolarHBondContact NH2-OE1 3.12Å; G692-E695 WeakPolarHBondContact CA-OE2 3.48Å; G692-E695 PolarHBondContact N-OE2 3.42Å; Y693-E695 PolarHBondContact O-N 3.13Å; E695-V697 HydrophobicContact CB-CG2 4.19Å; E695-V724 HydrophobicContact CG-CG1 4.43Å; E695-T728 HydrophobicContact CG-CG2 4.35Å; E695-I731 HydrophobicContact CG-CD1 4.33Å; E695-G843 WeakPolarHBondContact O-CA 3.35Å |
| 696 | L | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 48.9 | -173.5 | -53.6 | 176.4 | 0 | 0 | 0 | 113.4 | I665 V670 G692 Y693 D694 P698 I730 L812 G843 L844 | I665-L696 HydrophobicContact CD1-CB 4.18Å; V670-L696 HydrophobicContact CG2-CD1 4.26Å; V670-L696 HydrophobicContact CG2-CD2 4.36Å; G692-L696 PolarHBondContact O-N 3.29Å; Y693-L696 PolarHBondContact O-N 3.17Å; D694-L696 VanDerWaalsContact C-N 3.27Å; D694-L696 PolarHBondContact O-N 3.07Å; L696-P698 WeakPolarHBondContact O-CD 3.49Å; L696-I730 HydrophobicContact CD2-CG2 4.27Å; L696-L812 HydrophobicContact CD1-CD1 4.32Å; L696-L812 HydrophobicContact CD1-CD2 3.94Å; L696-G843 WeakPolarHBondContact O-CA 3.14Å; L696-L844 HydrophobicContact CB-CB 4.43Å; L696-L844 PolarHBondContact O-N 3.17Å |
| 697 | V | 94.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | trans | -68.5 | 119.9 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 111 | G692 E695 Y699 I701 I841 | G692-V697 VanDerWaalsContact O-CB 3.28Å; G692-V697 WeakPolarHBondContact O-CB 3.42Å; G692-V697 VanDerWaalsContact O-CG2 3.24Å; G692-V697 WeakPolarHBondContact O-CG2 3.46Å; G692-V697 PolarHBondContact O-N 3.33Å; E695-V697 HydrophobicContact CB-CG2 4.19Å; V697-Y699 HydrophobicContact CG1-CD1 4.08Å; V697-Y699 HydrophobicContact CG1-CD2 3.65Å; V697-Y699 HydrophobicContact CG1-CE1 3.8Å; V697-Y699 HydrophobicContact CG1-CE2 3.34Å; V697-Y699 HydrophobicContact CG1-CG 3.99Å; V697-Y699 VanDerWaalsContact CG1-CZ 3.42Å; V697-Y699 PolarHBondContact O-N 3.36Å; V697-Y699 VanDerWaalsContact O-N 3.12Å; V697-I701 HydrophobicContact CG1-CD1 4.38Å; V697-I701 HydrophobicContact CG1-CG1 4.34Å; V697-I841 HydrophobicContact CG1-CG2 4.07Å; V697-I841 HydrophobicContact CG2-CG2 3.71Å | ||
| 698 | P | 92.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 25% | 0.253 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -85.7 | 22.3 | -170.8 | 35.2 | -36.6 | 0 | 0 | 0 | 114.1 | K666 L696 L844 | K666-P698 WeakPolarHBondContact CE-O 3.19Å; L696-P698 WeakPolarHBondContact O-CD 3.49Å; P698-L844 HydrophobicContact CB-CD1 4.26Å; P698-L844 HydrophobicContact CB-CD2 3.97Å; P698-L844 HydrophobicContact CB-CG 4.05Å; P698-L844 HydrophobicContact CG-CD2 3.87Å; P698-L844 HydrophobicContact CG-CG 4.11Å |
| 699 | Y | 90.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 37.5 Ų | 37.5 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -149.1 | 160.2 | 178.5 | 46.8 | -93.5 | 0 | 0 | 0 | 110.3 | C663 V697 R708 I841 I842 | C663-Y699 PolarHBondContact SG-N 3.03Å; C663-Y699 VanDerWaalsContact SG-N 3.39Å; V697-Y699 HydrophobicContact CG1-CD1 4.08Å; V697-Y699 HydrophobicContact CG1-CD2 3.65Å; V697-Y699 HydrophobicContact CG1-CE1 3.8Å; V697-Y699 HydrophobicContact CG1-CE2 3.34Å; V697-Y699 HydrophobicContact CG1-CG 3.99Å; V697-Y699 VanDerWaalsContact CG1-CZ 3.42Å; V697-Y699 PolarHBondContact O-N 3.36Å; V697-Y699 VanDerWaalsContact O-N 3.12Å; Y699-R708 VanDerWaalsContact CZ-NH2 3.34Å; Y699-R708 PolarHBondContact OH-NH1 2.88Å; Y699-R708 VanDerWaalsContact OH-NH1 3.14Å; Y699-I841 HydrophobicContact CE2-CG2 4.36Å; Y699-I842 PolarHBondContact OH-N 3.47Å; Y699-I842 PolarHBondContact OH-O 3.46Å |
| 700 | Q | 88.6 | Confident | 93.3 | Very high | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 18% | 0.183 | S | C | . | . | trans | -73.9 | 134.3 | 174.2 | -175.6 | 178 | 10.6 | 0 | 0 | 108.7 | D660 N661 D702 | D660-Q700 PolarHBondContact O-NE2 2.7Å; N661-Q700 PolarHBondContact O-NE2 3.21Å; Q700-D702 PolarHBondContact O-N 3.11Å | ||
| 701 | I | 92.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | trans | -86.2 | 97.3 | 174.7 | -65.5 | 165.6 | 0 | 0 | 0 | 106.4 | L150 L153 R691 V697 V703 E706 Y710 I841 | L150-I701 HydrophobicContact CD1-CG2 3.99Å; L153-I701 HydrophobicContact CD1-CG2 3.62Å; R691-I701 WeakPolarHBondContact O-CD1 3.17Å; V697-I701 HydrophobicContact CG1-CD1 4.38Å; V697-I701 HydrophobicContact CG1-CG1 4.34Å; I701-V703 PolarHBondContact O-N 3.23Å; I701-E706 HydrophobicContact CG2-CB 4.47Å; I701-E706 HydrophobicContact CG2-CG 4.2Å; I701-Y710 HydrophobicContact CD1-CE1 4.11Å; I701-I841 HydrophobicContact CD1-CD1 4.41Å; I701-I841 HydrophobicContact CD1-CG2 3.9Å; I701-I841 HydrophobicContact CG1-CD1 4.4Å; I701-I841 HydrophobicContact CG1-CG2 4.27Å; I701-I841 HydrophobicContact CG2-CD1 4.11Å | ||
| 702 | D | 89.2 | Confident | 93.1 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | trans | -73.6 | 124.3 | -170 | -173.5 | -61.9 | 0 | 0 | 0 | 111.6 | Q700 V704 K705 E706 | Q700-D702 PolarHBondContact O-N 3.11Å; D702-V704 PolarHBondContact O-N 3.19Å; D702-V704 VanDerWaalsContact O-N 3.08Å; D702-V704 WeakPolarHBondContact OD1-CA 3.24Å; D702-V704 WeakPolarHBondContact OD1-CB 3.44Å; D702-V704 PolarHBondContact OD1-N 3.07Å; D702-K705 HydrophobicContact CB-CB 4.26Å; D702-K705 PolarHBondContact OD1-N 3.46Å; D702-E706 VanDerWaalsContact O-CB 3.23Å; D702-E706 WeakPolarHBondContact O-CB 3.18Å; D702-E706 PolarHBondContact O-N 2.8Å | ||
| 703 | V | 89.9 | Confident | 93.2 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15 | -178.6 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | L150 K152 S189 I701 | L150-V703 HydrophobicContact CD1-CG1 4.19Å; L150-V703 HydrophobicContact CD2-CG1 4.17Å; K152-V703 VanDerWaalsContact CE-O 3.26Å; K152-V703 WeakPolarHBondContact CE-O 3.42Å; K152-V703 VanDerWaalsContact NZ-C 3.34Å; K152-V703 PolarHBondContact NZ-O 3.19Å; S189-V703 PolarHBondContact N-O 2.95Å; I701-V703 PolarHBondContact O-N 3.23Å |
| 704 | V | 88.4 | Confident | 93.1 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -56.3 | 178.4 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | K152 S186 D702 | K152-V704 PolarHBondContact NZ-O 3.29Å; S186-V704 WeakPolarHBondContact O-CG1 3.45Å; D702-V704 PolarHBondContact O-N 3.19Å; D702-V704 VanDerWaalsContact O-N 3.08Å; D702-V704 WeakPolarHBondContact OD1-CA 3.24Å; D702-V704 WeakPolarHBondContact OD1-CB 3.44Å; D702-V704 PolarHBondContact OD1-N 3.07Å |
| 705 | K | 87.9 | Confident | 92.8 | Very high | 125 Ų | 125 | 45.8 Ų | 45.8 | 54% | 0.543 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -22.1 | -164.9 | -64.2 | 179.5 | -177.2 | 174.3 | 0 | 114.7 | Y454 D702 | Y454-K705 PolarHBondContact OH-NZ 2.54Å; D702-K705 HydrophobicContact CB-CB 4.26Å; D702-K705 PolarHBondContact OD1-N 3.46Å |
| 706 | E | 92.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | trans | -69.5 | 137.2 | -178.7 | -171.2 | 57.1 | -97.1 | 0 | 0 | 111.2 | L153 I701 D702 R708 I841 | L153-E706 HydrophobicContact CD1-CB 4.22Å; L153-E706 HydrophobicContact CD1-CG 3.77Å; L153-E706 HydrophobicContact CD2-CB 4.29Å; L153-E706 HydrophobicContact CD2-CG 3.99Å; L153-E706 WeakPolarHBondContact CD2-O 3.22Å; I701-E706 HydrophobicContact CG2-CB 4.47Å; I701-E706 HydrophobicContact CG2-CG 4.2Å; D702-E706 VanDerWaalsContact O-CB 3.23Å; D702-E706 WeakPolarHBondContact O-CB 3.18Å; D702-E706 PolarHBondContact O-N 2.8Å; E706-R708 VanDerWaalsContact OE1-CB 3.28Å; E706-R708 WeakPolarHBondContact OE1-CB 3.49Å; E706-R708 WeakPolarHBondContact OE1-CG 3.27Å; E706-R708 IonicContact OE1-CZ 3.8Å; E706-R708 PolarHBondContact OE1-N 2.85Å; E706-R708 IonicContact OE1-NE 3.5Å; E706-R708 PolarHBondContact OE1-NE 3.28Å; E706-R708 IonicContact OE1-NH2 3.68Å; E706-R708 IonicContact OE2-CZ 3.55Å; E706-R708 IonicContact OE2-NE 3.25Å; E706-R708 PolarHBondContact OE2-NE 2.87Å; E706-R708 IonicContact OE2-NH2 2.87Å; E706-R708 PolarHBondContact OE2-NH2 2.94Å; E706-I841 HydrophobicContact CG-CD1 3.92Å; E706-I841 HydrophobicContact CG-CG1 4.48Å | ||
| 707 | K | 92.6 | Very high | 92.1 | Very high | 167 Ų | 167 | 51.4 Ų | 51.4 | 73% | 0.726 | 27% | 0.269 | S | S | * | . | trans | -133.1 | -10.8 | 179.7 | -66.5 | -174 | 178.7 | -173.9 | 0 | 113 | ||||
| 708 | R | 94.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -72 | 145.2 | 178.7 | -66 | 173.3 | -70.1 | 166.8 | 1.7 | 109.9 | L153 Y699 E706 S837 D838 R839 I841 | L153-R708 WeakPolarHBondContact CD2-O 3.37Å; Y699-R708 VanDerWaalsContact CZ-NH2 3.34Å; Y699-R708 PolarHBondContact OH-NH1 2.88Å; Y699-R708 VanDerWaalsContact OH-NH1 3.14Å; E706-R708 VanDerWaalsContact OE1-CB 3.28Å; E706-R708 WeakPolarHBondContact OE1-CB 3.49Å; E706-R708 WeakPolarHBondContact OE1-CG 3.27Å; E706-R708 IonicContact OE1-CZ 3.8Å; E706-R708 PolarHBondContact OE1-N 2.85Å; E706-R708 IonicContact OE1-NE 3.5Å; E706-R708 PolarHBondContact OE1-NE 3.28Å; E706-R708 IonicContact OE1-NH2 3.68Å; E706-R708 IonicContact OE2-CZ 3.55Å; E706-R708 IonicContact OE2-NE 3.25Å; E706-R708 PolarHBondContact OE2-NE 2.87Å; E706-R708 IonicContact OE2-NH2 2.87Å; E706-R708 PolarHBondContact OE2-NH2 2.94Å; R708-S837 WeakPolarHBondContact CD-O 3.43Å; R708-S837 PolarHBondContact NH1-O 3.36Å; R708-S837 VanDerWaalsContact NH1-O 3.15Å; R708-D838 WeakPolarHBondContact CG-O 3.31Å; R708-R839 CarbonylContact C-O 3.49Å; R708-R839 WeakPolarHBondContact CA-O 3.46Å; R708-R839 WeakPolarHBondContact CB-O 3.44Å; R708-I841 HydrophobicContact CB-CG1 3.81Å; R708-I841 WeakPolarHBondContact O-CD1 3.32Å |
| 709 | L | 95.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 146.6 | -177.3 | -57.1 | -178.7 | 0 | 0 | 0 | 111.2 | L153 R839 F840 I841 | L153-L709 CarbonylContact O-C 3.58Å; L153-L709 VanDerWaalsContact O-CA 3.29Å; L153-L709 WeakPolarHBondContact O-CA 3.36Å; L709-R839 PolarHBondContact N-O 2.89Å; L709-F840 HydrophobicContact CB-CD1 3.96Å; L709-F840 HydrophobicContact CB-CE1 4.15Å; L709-F840 HydrophobicContact CD1-CE1 4.45Å; L709-F840 CarbonylContact O-C 3.58Å; L709-F840 VanDerWaalsContact O-CA 3.27Å; L709-F840 WeakPolarHBondContact O-CA 3.21Å; L709-I841 PolarHBondContact O-N 3.22Å |
| 710 | Y | 97.1 | Very high | 90.9 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 144.7 | 164.7 | -71.1 | -56.7 | 0 | 0 | 0 | 110.3 | V149 L150 L153 L154 R163 R691 I701 I841 | V149-Y710 HydrophobicContact CB-CE2 4.24Å; L150-Y710 HydrophobicContact CB-CE2 4.42Å; L153-Y710 HydrophobicContact CB-CD2 3.69Å; L153-Y710 HydrophobicContact CB-CE2 3.61Å; L153-Y710 HydrophobicContact CB-CG 4.39Å; L153-Y710 HydrophobicContact CD1-CE2 4.15Å; L153-Y710 HydrophobicContact CG-CE2 4.41Å; L153-Y710 PolarHBondContact O-N 3.36Å; L154-Y710 HydrophobicContact CD2-CD2 4.25Å; R163-Y710 VanDerWaalsContact CD-O 3.26Å; R163-Y710 WeakPolarHBondContact CD-O 3.35Å; R163-Y710 VanDerWaalsContact CZ-O 3.23Å; R163-Y710 PolarHBondContact NE-O 2.93Å; R163-Y710 PolarHBondContact NH1-O 3.3Å; R691-Y710 HydrophobicContact CB-CD1 4.22Å; R691-Y710 HydrophobicContact CB-CE1 3.64Å; R691-Y710 HydrophobicContact CB-CE2 4.33Å; R691-Y710 HydrophobicContact CG-CD1 3.46Å; R691-Y710 VanDerWaalsContact CG-CD1 3.46Å; R691-Y710 HydrophobicContact CG-CD2 4.27Å; R691-Y710 HydrophobicContact CG-CE1 3.42Å; R691-Y710 VanDerWaalsContact CG-CE1 3.42Å; R691-Y710 HydrophobicContact CG-CE2 4.24Å; R691-Y710 HydrophobicContact CG-CG 3.91Å; I701-Y710 HydrophobicContact CD1-CE1 4.11Å; Y710-I841 HydrophobicContact CD1-CB 4.46Å; Y710-I841 HydrophobicContact CD1-CD1 3.88Å; Y710-I841 HydrophobicContact CE1-CD1 3.81Å |
| 711 | C | 95.4 | Very high | 90.6 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68 | 149.2 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | G722 V724 I841 | C711-G722 CarbonylContact C-O 3.49Å; C711-G722 WeakPolarHBondContact CA-O 3.35Å; C711-G722 WeakPolarHBondContact CB-O 3.44Å; C711-V724 HydrophobicContact CB-CB 4.28Å; C711-V724 HydrophobicContact CB-CG1 3.55Å; C711-V724 HydrophobicContact CB-CG2 3.95Å; C711-I841 PolarHBondContact SG-O 3.41Å; C711-I841 VanDerWaalsContact SG-O 3.36Å |
| 712 | S | 95.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 155 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | R163 G722 Q723 V724 | R163-S712 PolarHBondContact NH1-OG 3.38Å; S712-G722 PolarHBondContact N-O 3.27Å; S712-Q723 CarbonylContact O-C 3.57Å; S712-Q723 WeakPolarHBondContact O-CA 3.28Å; S712-V724 PolarHBondContact O-N 3.15Å |
| 713 | W | 95.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 150.9 | 171.7 | -171.3 | -106 | 0 | 0 | 0 | 112 | E162 K165 V166 E169 D715 V724 I726 I731 | E162-W713 PolarHBondContact O-N 3.29Å; K165-W713 HydrophobicContact CB-CB 4.17Å; K165-W713 HydrophobicContact CD-CB 4.28Å; K165-W713 HydrophobicContact CD-CG 4.29Å; K165-W713 HydrophobicContact CG-CB 4.12Å; K165-W713 HydrophobicContact CG-CG 4.18Å; V166-W713 HydrophobicContact CB-CE3 4.15Å; V166-W713 HydrophobicContact CG1-CE3 3.65Å; V166-W713 HydrophobicContact CG1-CZ3 3.96Å; V166-W713 HydrophobicContact CG2-CB 3.77Å; V166-W713 HydrophobicContact CG2-CE3 4.13Å; E169-W713 HydrophobicContact CB-CD2 3.84Å; E169-W713 HydrophobicContact CB-CE3 3.96Å; E169-W713 HydrophobicContact CB-CH2 3.55Å; E169-W713 HydrophobicContact CB-CZ2 3.48Å; E169-W713 VanDerWaalsContact CB-CZ2 3.48Å; E169-W713 HydrophobicContact CB-CZ3 3.81Å; E169-W713 HydrophobicContact CG-CD2 3.84Å; E169-W713 HydrophobicContact CG-CE3 4.45Å; E169-W713 HydrophobicContact CG-CG 4.16Å; E169-W713 HydrophobicContact CG-CH2 4.36Å; E169-W713 HydrophobicContact CG-CZ2 3.8Å; W713-D715 PolarHBondContact NE1-OD1 3.3Å; W713-V724 CarbonylContact C-O 3.6Å; W713-V724 WeakPolarHBondContact CA-O 2.81Å; W713-I726 HydrophobicContact CH2-CB 3.95Å; W713-I726 HydrophobicContact CH2-CD1 4.29Å; W713-I726 VanDerWaalsContact CH2-N 3.29Å; W713-I726 HydrophobicContact CZ2-CB 4.47Å; W713-I731 HydrophobicContact CZ3-CG2 4.27Å |
| 714 | V | 94.9 | Very high | 90.8 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | trans | -145.6 | 134.9 | 164.4 | 66 | 0 | 0 | 0 | 0 | 109.2 | G716 V718 Q723 V724 N725 | V714-G716 VanDerWaalsContact C-N 3.26Å; V714-G716 PolarHBondContact O-N 3.24Å; V714-V718 HydrophobicContact CG1-CG2 4.26Å; V714-Q723 HydrophobicContact CG1-CB 4.08Å; V714-V724 PolarHBondContact N-O 2.56Å; V714-N725 HydrophobicContact CG1-CB 4.15Å; V714-N725 VanDerWaalsContact O-CB 3.26Å; V714-N725 WeakPolarHBondContact O-CB 3.37Å | ||
| 715 | D | 89.7 | Confident | 91.1 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 68% | 0.684 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -72.4 | -23 | -179.1 | -61.2 | -47.4 | 0 | 0 | 0 | 112.7 | K165 W713 | K165-D715 IonicContact NZ-OD1 2.96Å; K165-D715 IonicContact NZ-OD2 2.88Å; W713-D715 PolarHBondContact NE1-OD1 3.3Å |
| 716 | G | 89.8 | Confident | 91.4 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -96.6 | -166 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V714 N725 | V714-G716 VanDerWaalsContact C-N 3.26Å; V714-G716 PolarHBondContact O-N 3.24Å; G716-N725 PolarHBondContact O-ND2 2.87Å |
| 717 | P | 86 | Confident | 91.4 | Very high | 99 Ų | 99 | 60.3 Ų | 60.3 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | trans | -63.7 | 142.2 | 170.8 | 26.8 | -32.6 | 0 | 0 | 0 | 110.7 | T719 | P717-T719 PolarHBondContact O-N 2.94Å; P717-T719 VanDerWaalsContact O-N 3.11Å | ||
| 718 | V | 85.9 | Confident | 91.5 | Very high | 68 Ų | 68 | 54 Ų | 54 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | trans | -65 | 110.8 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | V714 Q723 N725 | V714-V718 HydrophobicContact CG1-CG2 4.26Å; V718-Q723 HydrophobicContact CG1-CB 4.14Å; V718-Q723 WeakPolarHBondContact CG1-O 3.5Å; V718-N725 HydrophobicContact CG2-CB 4.21Å | ||
| 719 | T | 83.6 | Confident | 91.5 | Very high | 111 Ų | 111 | 52.2 Ų | 52.2 | 68% | 0.681 | 30% | 0.295 | S | S | * | . | trans | -109.4 | -18.2 | -177.5 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | P717 | P717-T719 PolarHBondContact O-N 2.94Å; P717-T719 VanDerWaalsContact O-N 3.11Å | ||
| 720 | R | 83.7 | Confident | 91.5 | Very high | 181 Ų | 181 | 50.3 Ų | 50.3 | 68% | 0.683 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -128.9 | 150.3 | -178.1 | -59.6 | 179.9 | -175.4 | 177.7 | 1.6 | 111.2 | ||
| 721 | P | 81.7 | Confident | 91.5 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141.5 | 167.5 | -23.9 | 34.2 | 0 | 0 | 0 | 111.6 | D835 | P721-D835 WeakPolarHBondContact CB-O 3.42Š|
| 722 | G | 88.7 | Confident | 91.5 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C711 S712 F840 | C711-G722 CarbonylContact C-O 3.49Å; C711-G722 WeakPolarHBondContact CA-O 3.35Å; C711-G722 WeakPolarHBondContact CB-O 3.44Å; S712-G722 PolarHBondContact N-O 3.27Å; G722-F840 VanDerWaalsContact CA-CG 3.41Å |
| 723 | Q | 92.7 | Very high | 91.5 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.6 | 174.1 | -66.7 | 179.1 | -39.5 | 0 | 0 | 111.1 | S712 V714 V718 | S712-Q723 CarbonylContact O-C 3.57Å; S712-Q723 WeakPolarHBondContact O-CA 3.28Å; V714-Q723 HydrophobicContact CG1-CB 4.08Å; V718-Q723 HydrophobicContact CG1-CB 4.14Å; V718-Q723 WeakPolarHBondContact CG1-O 3.5Å |
| 724 | V | 94.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 155.1 | 171.8 | -69.1 | 0 | 0 | 0 | 0 | 109.8 | V166 E695 C711 S712 W713 V714 T728 | V166-V724 HydrophobicContact CB-CG2 4.43Å; V166-V724 HydrophobicContact CG1-CG2 3.86Å; V166-V724 HydrophobicContact CG2-CG2 3.68Å; E695-V724 HydrophobicContact CG-CG1 4.43Å; C711-V724 HydrophobicContact CB-CB 4.28Å; C711-V724 HydrophobicContact CB-CG1 3.55Å; C711-V724 HydrophobicContact CB-CG2 3.95Å; S712-V724 PolarHBondContact O-N 3.15Å; W713-V724 CarbonylContact C-O 3.6Å; W713-V724 WeakPolarHBondContact CA-O 2.81Å; V714-V724 PolarHBondContact N-O 2.56Å; V724-T728 HydrophobicContact CB-CG2 4.31Å; V724-T728 HydrophobicContact CG1-CG2 3.85Å |
| 725 | N | 94.7 | Very high | 91.6 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | trans | -140.2 | -176.2 | 176.3 | 71.2 | 7.8 | 0 | 0 | 0 | 110.1 | V714 G716 V718 N727 T728 | V714-N725 HydrophobicContact CG1-CB 4.15Å; V714-N725 VanDerWaalsContact O-CB 3.26Å; V714-N725 WeakPolarHBondContact O-CB 3.37Å; G716-N725 PolarHBondContact O-ND2 2.87Å; V718-N725 HydrophobicContact CG2-CB 4.21Å; N725-N727 PolarHBondContact O-N 2.72Å; N725-N727 PolarHBondContact OD1-N 3.35Å; N725-T728 PolarHBondContact N-OG1 3.36Å; N725-T728 WeakPolarHBondContact O-CB 3.44Å; N725-T728 PolarHBondContact O-N 2.82Å; N725-T728 PolarHBondContact O-OG1 2.8Å | ||
| 726 | I | 94.9 | Very high | 91.9 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 17% | 0.174 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.5 | -177.7 | -165.2 | 59 | 0 | 0 | 0 | 114.6 | W713 I731 R732 R735 | W713-I726 HydrophobicContact CH2-CB 3.95Å; W713-I726 HydrophobicContact CH2-CD1 4.29Å; W713-I726 VanDerWaalsContact CH2-N 3.29Å; W713-I726 HydrophobicContact CZ2-CB 4.47Å; I726-I731 HydrophobicContact CD1-CG2 4.11Å; I726-R732 HydrophobicContact CD1-CB 4.32Å; I726-R732 HydrophobicContact CG1-CB 4.12Å; I726-R732 HydrophobicContact CG1-CG 4.37Å; I726-R732 VanDerWaalsContact O-CB 3.31Å; I726-R732 WeakPolarHBondContact O-CB 3.34Å; I726-R732 PolarHBondContact O-N 3.17Å; I726-R735 HydrophobicContact CD1-CB 4.39Å |
| 727 | N | 92.7 | Very high | 92.1 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 61% | 0.61 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6.2 | -177.3 | -63.7 | -38 | 0 | 0 | 0 | 113.5 | N725 | N725-N727 PolarHBondContact O-N 2.72Å; N725-N727 PolarHBondContact OD1-N 3.35Å |
| 728 | T | 93.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -82.2 | 128.3 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | E695 V724 N725 I730 I731 | E695-T728 HydrophobicContact CG-CG2 4.35Å; V724-T728 HydrophobicContact CB-CG2 4.31Å; V724-T728 HydrophobicContact CG1-CG2 3.85Å; N725-T728 PolarHBondContact N-OG1 3.36Å; N725-T728 WeakPolarHBondContact O-CB 3.44Å; N725-T728 PolarHBondContact O-N 2.82Å; N725-T728 PolarHBondContact O-OG1 2.8Å; T728-I730 PolarHBondContact O-N 3.03Å; T728-I731 WeakPolarHBondContact O-CB 3.35Å; T728-I731 VanDerWaalsContact O-CG1 3.25Å; T728-I731 WeakPolarHBondContact O-CG1 3.32Å; T728-I731 PolarHBondContact O-N 3.46Å; T728-I731 VanDerWaalsContact O-N 3.1Å |
| 729 | G | 94.1 | Very high | 93 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -122.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D694 | D694-G729 CarbonylContact O-C 3.57Å; D694-G729 WeakPolarHBondContact O-CA 3.21Å |
| 730 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 13.2 | 175.8 | 63.5 | 166.8 | 0 | 0 | 0 | 113.2 | L674 A677 Y693 D694 L696 T728 R732 A733 R734 L812 | L674-I730 HydrophobicContact CB-CG2 4.43Å; L674-I730 HydrophobicContact CD1-CG2 4.48Å; A677-I730 HydrophobicContact CB-CD1 4.45Å; Y693-I730 HydrophobicContact CD1-CD1 4.32Å; Y693-I730 HydrophobicContact CE1-CD1 4.05Å; D694-I730 HydrophobicContact CB-CG1 4.28Å; D694-I730 WeakPolarHBondContact O-CG1 3.32Å; D694-I730 PolarHBondContact O-N 3.03Å; L696-I730 HydrophobicContact CD2-CG2 4.27Å; T728-I730 PolarHBondContact O-N 3.03Å; I730-R732 VanDerWaalsContact C-N 3.29Å; I730-R732 PolarHBondContact O-N 3.26Å; I730-A733 WeakPolarHBondContact O-CA 3.45Å; I730-A733 WeakPolarHBondContact O-CB 3.38Å; I730-A733 PolarHBondContact O-N 3.29Å; I730-R734 PolarHBondContact O-N 2.93Å; I730-L812 HydrophobicContact CG2-CD1 3.46Å; I730-L812 VanDerWaalsContact CG2-CD1 3.46Å |
| 731 | I | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.8 | -42.8 | -175.2 | -66.3 | 177.7 | 0 | 0 | 0 | 112 | V166 S170 D694 E695 W713 I726 T728 A733 R734 R735 | V166-I731 HydrophobicContact CG1-CD1 4.22Å; S170-I731 WeakPolarHBondContact OG-CG2 3.36Å; D694-I731 HydrophobicContact CB-CG1 3.96Å; E695-I731 HydrophobicContact CG-CD1 4.33Å; W713-I731 HydrophobicContact CZ3-CG2 4.27Å; I726-I731 HydrophobicContact CD1-CG2 4.11Å; T728-I731 WeakPolarHBondContact O-CB 3.35Å; T728-I731 VanDerWaalsContact O-CG1 3.25Å; T728-I731 WeakPolarHBondContact O-CG1 3.32Å; T728-I731 PolarHBondContact O-N 3.46Å; T728-I731 VanDerWaalsContact O-N 3.1Å; I731-A733 VanDerWaalsContact C-N 3.34Å; I731-A733 PolarHBondContact O-N 3.39Å; I731-R734 WeakPolarHBondContact O-CB 3.39Å; I731-R734 PolarHBondContact O-N 2.92Å; I731-R735 PolarHBondContact O-N 3.18Å |
| 732 | R | 95.9 | Very high | 94.5 | Very high | 87 Ų | 87 | 30.5 Ų | 30.5 | 33% | 0.328 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 175 | -178.1 | 176 | 174.4 | 177.5 | -3 | 112.1 | I726 I730 T736 L849 M851 E853 | I726-R732 HydrophobicContact CD1-CB 4.32Å; I726-R732 HydrophobicContact CG1-CB 4.12Å; I726-R732 HydrophobicContact CG1-CG 4.37Å; I726-R732 VanDerWaalsContact O-CB 3.31Å; I726-R732 WeakPolarHBondContact O-CB 3.34Å; I726-R732 PolarHBondContact O-N 3.17Å; I730-R732 VanDerWaalsContact C-N 3.29Å; I730-R732 PolarHBondContact O-N 3.26Å; R732-T736 PolarHBondContact O-N 3.44Å; R732-T736 PolarHBondContact O-OG1 3.37Å; R732-L849 HydrophobicContact CB-CD2 4.1Å; R732-M851 HydrophobicContact CG-SD 4.3Å; R732-E853 IonicContact CZ-OE1 3.85Å; R732-E853 IonicContact NE-OE1 3.12Å; R732-E853 IonicContact NH2-OE1 2.71Å; R732-E853 PolarHBondContact NH2-OE1 2.78Å |
| 733 | A | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | L674 I730 I731 R735 T736 F737 L849 M851 | L674-A733 HydrophobicContact CD1-CB 3.75Å; I730-A733 WeakPolarHBondContact O-CA 3.45Å; I730-A733 WeakPolarHBondContact O-CB 3.38Å; I730-A733 PolarHBondContact O-N 3.29Å; I731-A733 VanDerWaalsContact C-N 3.34Å; I731-A733 PolarHBondContact O-N 3.39Å; A733-R735 VanDerWaalsContact C-N 3.29Å; A733-R735 PolarHBondContact O-N 3.4Å; A733-T736 WeakPolarHBondContact O-CA 3.45Å; A733-T736 WeakPolarHBondContact O-CB 3.35Å; A733-T736 PolarHBondContact O-N 2.84Å; A733-F737 HydrophobicContact CB-CD1 4.03Å; A733-F737 HydrophobicContact CB-CE1 3.67Å; A733-F737 WeakPolarHBondContact O-CD1 3.42Å; A733-F737 VanDerWaalsContact O-CE1 3.27Å; A733-F737 WeakPolarHBondContact O-CE1 3.4Å; A733-F737 WeakPolarHBondContact O-CG 3.38Å; A733-F737 PolarHBondContact O-N 3.46Å; A733-L849 HydrophobicContact CB-CD1 4.28Å; A733-L849 HydrophobicContact CB-CD2 3.7Å; A733-M851 HydrophobicContact CB-SD 4.29Å |
| 734 | R | 96.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50.5 | -48.5 | 178.5 | -178.4 | 63.4 | 62.6 | 166.6 | 13.8 | 112.5 | S170 Y172 D656 N681 D694 I730 I731 T736 F737 N738 | S170-R734 CarbonylContact O-C 3.47Å; Y172-R734 HydrophobicContact CE2-CG 3.67Å; Y172-R734 WeakPolarHBondContact OH-CD 3.41Å; Y172-R734 VanDerWaalsContact OH-CZ 3.31Å; Y172-R734 PolarHBondContact OH-NE 2.83Å; Y172-R734 VanDerWaalsContact OH-NE 3.1Å; D656-R734 IonicContact OD2-CZ 2.8Å; D656-R734 IonicContact OD2-NH1 3.29Å; D656-R734 PolarHBondContact OD2-NH1 2.86Å; D656-R734 IonicContact OD2-NH2 2.73Å; D656-R734 PolarHBondContact OD2-NH2 2.84Å; N681-R734 PolarHBondContact OD1-NH1 3.25Å; D694-R734 IonicContact OD1-CZ 2.79Å; D694-R734 VanDerWaalsContact OD1-CZ 3.24Å; D694-R734 IonicContact OD1-NE 3.68Å; D694-R734 PolarHBondContact OD1-NE 3.2Å; D694-R734 IonicContact OD1-NH2 3.4Å; D694-R734 PolarHBondContact OD1-NH2 2.82Å; D694-R734 IonicContact OD2-NE 3.5Å; I730-R734 PolarHBondContact O-N 2.93Å; I731-R734 WeakPolarHBondContact O-CB 3.39Å; I731-R734 PolarHBondContact O-N 2.92Å; R734-T736 VanDerWaalsContact C-N 3.3Å; R734-T736 PolarHBondContact O-N 2.92Å; R734-F737 HydrophobicContact CB-CE1 4.32Å; R734-F737 HydrophobicContact CB-CE2 4.24Å; R734-F737 HydrophobicContact CB-CZ 3.85Å; R734-F737 HydrophobicContact CG-CE2 4.27Å; R734-F737 HydrophobicContact CG-CZ 4.32Å; R734-F737 VanDerWaalsContact CZ-CE2 3.48Å; R734-F737 VanDerWaalsContact NE-CE2 3.29Å; R734-F737 VanDerWaalsContact NE-CZ 3.31Å; R734-F737 PolarHBondContact O-N 3.35Å; R734-N738 WeakPolarHBondContact CD-OD1 3.24Å; R734-N738 WeakPolarHBondContact O-CB 3.19Å; R734-N738 PolarHBondContact O-N 2.96Å |
| 735 | R | 96.5 | Very high | 94.3 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 23% | 0.234 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.6 | -171.7 | 179.5 | 69.7 | -177.2 | -2.6 | 112.2 | E169 S170 I726 I731 A733 R739 | E169-R735 VanDerWaalsContact O-CD 3.23Å; E169-R735 WeakPolarHBondContact O-CD 3.34Å; S170-R735 WeakPolarHBondContact O-CA 3.26Å; S170-R735 PolarHBondContact O-N 2.81Å; S170-R735 VanDerWaalsContact O-N 3.15Å; I726-R735 HydrophobicContact CD1-CB 4.39Å; I731-R735 PolarHBondContact O-N 3.18Å; A733-R735 VanDerWaalsContact C-N 3.29Å; A733-R735 PolarHBondContact O-N 3.4Å; R735-R739 WeakPolarHBondContact O-CB 3.45Å; R735-R739 VanDerWaalsContact O-CG 3.24Å; R735-R739 WeakPolarHBondContact O-CG 3.5Å; R735-R739 PolarHBondContact O-N 3.4Å |
| 736 | T | 95.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | R732 A733 R734 R739 L740 F808 M851 | R732-T736 PolarHBondContact O-N 3.44Å; R732-T736 PolarHBondContact O-OG1 3.37Å; A733-T736 WeakPolarHBondContact O-CA 3.45Å; A733-T736 WeakPolarHBondContact O-CB 3.35Å; A733-T736 PolarHBondContact O-N 2.84Å; R734-T736 VanDerWaalsContact C-N 3.3Å; R734-T736 PolarHBondContact O-N 2.92Å; T736-R739 PolarHBondContact O-N 2.86Å; T736-L740 PolarHBondContact O-N 2.83Å; T736-F808 HydrophobicContact CG2-CD1 3.72Å; T736-F808 HydrophobicContact CG2-CE1 3.83Å; T736-F808 HydrophobicContact CG2-CG 4.39Å; T736-M851 HydrophobicContact CG2-CE 3.55Å; T736-M851 WeakPolarHBondContact OG1-CE 3.42Å |
| 737 | F | 94.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -81.9 | -21.3 | -176.5 | 58.2 | -112.4 | 0 | 0 | 0 | 114.4 | L674 A677 V678 N681 A733 R734 H741 F808 | L674-F737 HydrophobicContact CD1-CE1 4.3Å; A677-F737 HydrophobicContact CB-CE1 4.39Å; A677-F737 HydrophobicContact CB-CE2 3.91Å; A677-F737 HydrophobicContact CB-CZ 3.51Å; V678-F737 HydrophobicContact CG2-CB 4.49Å; V678-F737 HydrophobicContact CG2-CD1 3.61Å; V678-F737 HydrophobicContact CG2-CE1 3.87Å; V678-F737 HydrophobicContact CG2-CG 4.07Å; V678-F737 HydrophobicContact CG2-CZ 4.47Å; N681-F737 HydrophobicContact CB-CD2 4.07Å; N681-F737 WeakPolarHBondContact ND2-CD2 3.14Å; N681-F737 PolarHBondContact ND2-O 3.48Å; A733-F737 HydrophobicContact CB-CD1 4.03Å; A733-F737 HydrophobicContact CB-CE1 3.67Å; A733-F737 WeakPolarHBondContact O-CD1 3.42Å; A733-F737 VanDerWaalsContact O-CE1 3.27Å; A733-F737 WeakPolarHBondContact O-CE1 3.4Å; A733-F737 WeakPolarHBondContact O-CG 3.38Å; A733-F737 PolarHBondContact O-N 3.46Å; R734-F737 HydrophobicContact CB-CE1 4.32Å; R734-F737 HydrophobicContact CB-CE2 4.24Å; R734-F737 HydrophobicContact CB-CZ 3.85Å; R734-F737 HydrophobicContact CG-CE2 4.27Å; R734-F737 HydrophobicContact CG-CZ 4.32Å; R734-F737 VanDerWaalsContact CZ-CE2 3.48Å; R734-F737 VanDerWaalsContact NE-CE2 3.29Å; R734-F737 VanDerWaalsContact NE-CZ 3.31Å; R734-F737 PolarHBondContact O-N 3.35Å; F737-H741 VanDerWaalsContact O-CB 3.28Å; F737-H741 WeakPolarHBondContact O-CB 3.2Å; F737-H741 PolarHBondContact O-N 2.8Å; F737-F808 HydrophobicContact CB-CZ 4.19Å |
| 738 | N | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 164.4 | -75.8 | 2.6 | 0 | 0 | 0 | 110.8 | E145 G171 Y172 N681 R734 L740 H741 N742 | E145-N738 HydrophobicContact CG-CB 4.17Å; G171-N738 WeakPolarHBondContact O-CB 3.2Å; G171-N738 PolarHBondContact O-ND2 3.25Å; G171-N738 VanDerWaalsContact O-ND2 3.09Å; Y172-N738 WeakPolarHBondContact CD1-ND2 3.37Å; N681-N738 PolarHBondContact ND2-OD1 3.12Å; R734-N738 WeakPolarHBondContact CD-OD1 3.24Å; R734-N738 WeakPolarHBondContact O-CB 3.19Å; R734-N738 PolarHBondContact O-N 2.96Å; N738-L740 VanDerWaalsContact C-N 3.3Å; N738-L740 PolarHBondContact O-N 3.16Å; N738-H741 WeakPolarHBondContact O-CB 3.37Å; N738-H741 PolarHBondContact O-N 2.93Å; N738-H741 VanDerWaalsContact O-N 3.15Å; N738-N742 PolarHBondContact O-N 3.22Å |
| 739 | R | 94.2 | Very high | 93 | Very high | 147 Ų | 147 | 27.4 Ų | 27.4 | 56% | 0.555 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -59.9 | -41.1 | 174.1 | -74.4 | 173.6 | 178.3 | 179.2 | -1.6 | 112.3 | R735 T736 N742 Y743 | R735-R739 WeakPolarHBondContact O-CB 3.45Å; R735-R739 VanDerWaalsContact O-CG 3.24Å; R735-R739 WeakPolarHBondContact O-CG 3.5Å; R735-R739 PolarHBondContact O-N 3.4Å; T736-R739 PolarHBondContact O-N 2.86Å; R739-N742 PolarHBondContact O-N 3.43Å; R739-Y743 WeakPolarHBondContact O-CB 3.24Å; R739-Y743 PolarHBondContact O-N 2.9Å |
| 740 | L | 94.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 174.3 | -179.7 | 63.4 | 0 | 0 | 0 | 111.3 | T736 N738 N742 Y743 V744 I775 Y777 L807 F808 V888 | T736-L740 PolarHBondContact O-N 2.83Å; N738-L740 VanDerWaalsContact C-N 3.3Å; N738-L740 PolarHBondContact O-N 3.16Å; L740-N742 VanDerWaalsContact C-N 3.32Å; L740-N742 PolarHBondContact O-N 3Å; L740-Y743 HydrophobicContact CD1-CD1 4.2Å; L740-Y743 PolarHBondContact O-N 3.23Å; L740-V744 HydrophobicContact CD1-CG2 3.82Å; L740-V744 HydrophobicContact CG-CG2 4.02Å; L740-V744 VanDerWaalsContact O-CB 3.32Å; L740-V744 WeakPolarHBondContact O-CB 3.37Å; L740-V744 WeakPolarHBondContact O-CG2 3.18Å; L740-V744 PolarHBondContact O-N 3.41Å; L740-I775 HydrophobicContact CD2-CG2 4.29Å; L740-Y777 HydrophobicContact CD2-CE1 3.85Å; L740-Y777 WeakPolarHBondContact CD2-OH 3.28Å; L740-L807 HydrophobicContact CD1-CD1 3.88Å; L740-L807 HydrophobicContact CD2-CD1 4.4Å; L740-F808 HydrophobicContact CD2-CE1 3.68Å; L740-F808 HydrophobicContact CD2-CZ 3.76Å; L740-V888 HydrophobicContact CD2-CG1 3.86Å |
| 741 | H | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 177.5 | 175.3 | 75.9 | 0 | 0 | 0 | 111.9 | Q142 E145 N681 C685 F737 N738 V744 T745 | Q142-H741 PolarHBondContact O-NE2 2.88Å; E145-H741 IonicContact OE1-CD2 2.65Å; E145-H741 PolarHBondContact OE1-CD2 3.01Å; N681-H741 HydrophobicContact CB-CB 4.37Å; N681-H741 PolarHBondContact O-ND1 3.36Å; C685-H741 PolarHBondContact O-CE1 3.21Å; C685-H741 PolarHBondContact O-NE2 3.42Å; F737-H741 VanDerWaalsContact O-CB 3.28Å; F737-H741 WeakPolarHBondContact O-CB 3.2Å; F737-H741 PolarHBondContact O-N 2.8Å; N738-H741 WeakPolarHBondContact O-CB 3.37Å; N738-H741 PolarHBondContact O-N 2.93Å; N738-H741 VanDerWaalsContact O-N 3.15Å; H741-V744 PolarHBondContact O-N 2.99Å; H741-T745 WeakPolarHBondContact O-CB 3.38Å; H741-T745 PolarHBondContact O-N 3.03Å; H741-T745 PolarHBondContact O-OG1 2.82Å |
| 742 | N | 91.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 174.6 | -163.8 | -82.4 | 0 | 0 | 0 | 111.6 | N738 R739 L740 T745 L746 | N738-N742 PolarHBondContact O-N 3.22Å; R739-N742 PolarHBondContact O-N 3.43Å; L740-N742 VanDerWaalsContact C-N 3.32Å; L740-N742 PolarHBondContact O-N 3Å; N742-T745 PolarHBondContact O-N 3.04Å; N742-L746 WeakPolarHBondContact O-CB 3.24Å; N742-L746 WeakPolarHBondContact O-CG 3.46Å; N742-L746 PolarHBondContact O-N 3.37Å; N742-L746 WeakPolarHBondContact OD1-CD1 3.31Å |
| 743 | Y | 92.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 177.2 | 169.5 | -102.5 | 0 | 0 | 0 | 112.8 | M1 R739 L740 T745 L746 S747 F749 | M1-Y743 HydrophobicContact CE-CD1 3.71Å; M1-Y743 HydrophobicContact CE-CD2 4.14Å; M1-Y743 HydrophobicContact CE-CE1 4.11Å; M1-Y743 HydrophobicContact CE-CG 3.71Å; M1-Y743 HydrophobicContact SD-CD2 4.35Å; M1-Y743 HydrophobicContact SD-CG 4.17Å; R739-Y743 WeakPolarHBondContact O-CB 3.24Å; R739-Y743 PolarHBondContact O-N 2.9Å; L740-Y743 HydrophobicContact CD1-CD1 4.2Å; L740-Y743 PolarHBondContact O-N 3.23Å; Y743-T745 VanDerWaalsContact C-N 3.26Å; Y743-T745 PolarHBondContact O-N 3.12Å; Y743-L746 PolarHBondContact O-N 3.18Å; Y743-S747 WeakPolarHBondContact CD2-OG 3.28Å; Y743-S747 WeakPolarHBondContact CE2-OG 3.21Å; Y743-S747 WeakPolarHBondContact O-CB 3.4Å; Y743-S747 PolarHBondContact O-N 2.78Å; Y743-S747 PolarHBondContact O-OG 2.83Å; Y743-F749 HydrophobicContact CE1-CE2 4.08Å |
| 744 | V | 92.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 178.6 | 165.8 | 0 | 0 | 0 | 0 | 110.3 | L740 H741 E748 F749 R766 I775 | L740-V744 HydrophobicContact CD1-CG2 3.82Å; L740-V744 HydrophobicContact CG-CG2 4.02Å; L740-V744 VanDerWaalsContact O-CB 3.32Å; L740-V744 WeakPolarHBondContact O-CB 3.37Å; L740-V744 WeakPolarHBondContact O-CG2 3.18Å; L740-V744 PolarHBondContact O-N 3.41Å; H741-V744 PolarHBondContact O-N 2.99Å; V744-E748 PolarHBondContact O-N 2.93Å; V744-F749 HydrophobicContact CB-CB 4.39Å; V744-F749 HydrophobicContact CB-CD2 4.45Å; V744-F749 HydrophobicContact CG1-CB 3.53Å; V744-F749 HydrophobicContact CG1-CD2 4.45Å; V744-F749 HydrophobicContact CG1-CG 4.11Å; V744-F749 WeakPolarHBondContact O-CB 3.45Å; V744-F749 WeakPolarHBondContact O-CD2 3.4Å; V744-F749 PolarHBondContact O-N 3.01Å; V744-R766 HydrophobicContact CG1-CB 4.28Å; V744-R766 HydrophobicContact CG1-CG 4.24Å; V744-I775 HydrophobicContact CG2-CG1 4.09Å |
| 745 | T | 88.4 | Confident | 92.2 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.8 | -45.4 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | R140 Q142 H741 N742 Y743 S747 E748 | R140-T745 HydrophobicContact CB-CG2 4.47Å; Q142-T745 HydrophobicContact CB-CG2 3.67Å; H741-T745 WeakPolarHBondContact O-CB 3.38Å; H741-T745 PolarHBondContact O-N 3.03Å; H741-T745 PolarHBondContact O-OG1 2.82Å; N742-T745 PolarHBondContact O-N 3.04Å; Y743-T745 VanDerWaalsContact C-N 3.26Å; Y743-T745 PolarHBondContact O-N 3.12Å; T745-S747 VanDerWaalsContact C-N 3.33Å; T745-E748 PolarHBondContact O-N 2.89Å |
| 746 | L | 86.4 | Confident | 92 | Very high | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.9 | -29.8 | 179.4 | -68.9 | 179.4 | 0 | 0 | 0 | 112.7 | R140 N742 Y743 E748 | R140-L746 HydrophobicContact CB-CD2 4.48Å; R140-L746 HydrophobicContact CG-CD2 4.2Å; N742-L746 WeakPolarHBondContact O-CB 3.24Å; N742-L746 WeakPolarHBondContact O-CG 3.46Å; N742-L746 PolarHBondContact O-N 3.37Å; N742-L746 WeakPolarHBondContact OD1-CD1 3.31Å; Y743-L746 PolarHBondContact O-N 3.18Å; L746-E748 VanDerWaalsContact C-N 3.25Å; L746-E748 PolarHBondContact O-N 2.72Å |
| 747 | S | 86.9 | Confident | 91.9 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 15.1 | 178 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | Y743 T745 F749 C768 | Y743-S747 WeakPolarHBondContact CD2-OG 3.28Å; Y743-S747 WeakPolarHBondContact CE2-OG 3.21Å; Y743-S747 WeakPolarHBondContact O-CB 3.4Å; Y743-S747 PolarHBondContact O-N 2.78Å; Y743-S747 PolarHBondContact O-OG 2.83Å; T745-S747 VanDerWaalsContact C-N 3.33Å; S747-F749 PolarHBondContact O-N 3.32Å; S747-C768 PolarHBondContact O-SG 2.93Å |
| 748 | E | 82.5 | Confident | 91.7 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 35.4 | 171.5 | -44.1 | -155.3 | 131.2 | 0 | 0 | 115.5 | R140 V744 T745 L746 N750 | R140-E748 IonicContact CZ-OE1 3.85Å; R140-E748 IonicContact NH1-OE1 3.17Å; R140-E748 PolarHBondContact NH1-OE1 3.37Å; R140-E748 IonicContact NH2-OE1 3.68Å; R140-E748 PolarHBondContact NH2-OE1 3.22Å; V744-E748 PolarHBondContact O-N 2.93Å; T745-E748 PolarHBondContact O-N 2.89Å; L746-E748 VanDerWaalsContact C-N 3.25Å; L746-E748 PolarHBondContact O-N 2.72Å; E748-N750 PolarHBondContact O-N 3.4Å; E748-N750 PolarHBondContact O-OD1 3.49Å |
| 749 | F | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | trans | -73.6 | 66.1 | 166.5 | -70.6 | -101.9 | 0 | 0 | 0 | 110 | Y743 V744 S747 R766 F767 C768 M771 E773 I775 | Y743-F749 HydrophobicContact CE1-CE2 4.08Å; V744-F749 HydrophobicContact CB-CB 4.39Å; V744-F749 HydrophobicContact CB-CD2 4.45Å; V744-F749 HydrophobicContact CG1-CB 3.53Å; V744-F749 HydrophobicContact CG1-CD2 4.45Å; V744-F749 HydrophobicContact CG1-CG 4.11Å; V744-F749 WeakPolarHBondContact O-CB 3.45Å; V744-F749 WeakPolarHBondContact O-CD2 3.4Å; V744-F749 PolarHBondContact O-N 3.01Å; S747-F749 PolarHBondContact O-N 3.32Å; F749-R766 HydrophobicContact CB-CB 4.18Å; F749-R766 HydrophobicContact CD1-CB 4.35Å; F749-R766 VanDerWaalsContact O-CZ 3.3Å; F749-R766 PolarHBondContact O-NE 3.35Å; F749-R766 VanDerWaalsContact O-NE 3.17Å; F749-R766 PolarHBondContact O-NH2 2.83Å; F749-F767 CarbonylContact C-O 3.26Å; F749-F767 WeakPolarHBondContact CA-O 3.41Å; F749-C768 HydrophobicContact CB-CB 4.34Å; F749-C768 HydrophobicContact CD1-CB 3.64Å; F749-C768 HydrophobicContact CD2-CB 3.83Å; F749-C768 HydrophobicContact CE1-CB 3.79Å; F749-C768 HydrophobicContact CE2-CB 3.98Å; F749-C768 HydrophobicContact CG-CB 3.66Å; F749-C768 HydrophobicContact CZ-CB 3.96Å; F749-M771 HydrophobicContact CE2-SD 4.37Å; F749-E773 HydrophobicContact CE1-CB 4.04Å; F749-E773 HydrophobicContact CE1-CG 4.16Å; F749-E773 VanDerWaalsContact CE1-O 3.28Å; F749-E773 WeakPolarHBondContact CE1-O 3.02Å; F749-E773 HydrophobicContact CZ-CB 4.02Å; F749-E773 HydrophobicContact CZ-CG 4.12Å; F749-I775 HydrophobicContact CD1-CG1 4.21Å; F749-I775 HydrophobicContact CE1-CD1 4.35Å; F749-I775 HydrophobicContact CE1-CG1 3.79Å; F749-I775 HydrophobicContact CZ-CD1 4.45Å; F749-I775 HydrophobicContact CZ-CG1 4.13Å | ||
| 750 | N | 88.7 | Confident | 91.4 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | trans | -88.9 | -5.5 | -171 | 62.2 | 0.8 | 0 | 0 | 0 | 113.7 | N632 E748 F767 | N632-N750 PolarHBondContact N-O 2.91Å; E748-N750 PolarHBondContact O-N 3.4Å; E748-N750 PolarHBondContact O-OD1 3.49Å; N750-F767 PolarHBondContact N-O 3.37Å | ||
| 751 | E | 93 | Very high | 91.3 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138 | 176.1 | -68.3 | -170.1 | 174.9 | 0 | 0 | 112.4 | N632 V634 G635 S636 R766 F767 P769 | N632-E751 HydrophobicContact CB-CG 4.38Å; N632-E751 CarbonylContact O-C 3.57Å; N632-E751 WeakPolarHBondContact O-CA 3.5Å; V634-E751 VanDerWaalsContact CA-OE2 3.27Å; V634-E751 WeakPolarHBondContact CA-OE2 3.1Å; V634-E751 HydrophobicContact CG2-CB 4.07Å; G635-E751 PolarHBondContact N-OE2 3.31Å; S636-E751 PolarHBondContact N-OE1 3.3Å; S636-E751 VanDerWaalsContact N-OE1 3.11Å; E751-R766 CarbonylContact O-C 3.54Å; E751-R766 VanDerWaalsContact O-CA 3.29Å; E751-R766 WeakPolarHBondContact O-CA 3.39Å; E751-F767 HydrophobicContact CB-CB 4.13Å; E751-F767 HydrophobicContact CB-CD1 4.46Å; E751-F767 PolarHBondContact N-O 3.34Å; E751-F767 PolarHBondContact O-N 3.36Å; E751-F767 VanDerWaalsContact OE2-CD1 3.26Å; E751-F767 WeakPolarHBondContact OE2-CD1 3.44Å; E751-P769 HydrophobicContact CG-CG 4.18Å |
| 752 | V | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.3 | -175.6 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | Y627 N632 V634 V754 I764 R765 | Y627-V752 HydrophobicContact CD2-CG1 4.15Å; Y627-V752 HydrophobicContact CE2-CG1 4.41Å; N632-V752 PolarHBondContact O-N 3.46Å; V634-V752 PolarHBondContact N-O 2.91Å; V752-V754 HydrophobicContact CG2-CG2 4.08Å; V752-I764 HydrophobicContact CG2-CG2 4.35Å; V752-R765 CarbonylContact C-O 3.59Å; V752-R765 VanDerWaalsContact CA-O 3.29Å; V752-R765 WeakPolarHBondContact CA-O 3.22Å |
| 753 | F | 94.3 | Very high | 91.5 | Very high | 105 Ų | 105 | 35.9 Ų | 35.9 | 46% | 0.461 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 131 | 164.9 | 179.4 | -108.7 | 0 | 0 | 0 | 108.8 | V634 D755 I764 R765 | V634-F753 HydrophobicContact CB-CB 4.3Å; V634-F753 HydrophobicContact CG2-CB 3.82Å; F753-D755 HydrophobicContact CD1-CB 4.35Å; F753-D755 HydrophobicContact CE1-CB 3.7Å; F753-D755 HydrophobicContact CZ-CB 4.22Å; F753-I764 CarbonylContact O-C 3.57Å; F753-I764 WeakPolarHBondContact O-CA 3.43Å; F753-R765 HydrophobicContact CB-CB 4.28Å; F753-R765 PolarHBondContact N-O 3.39Å; F753-R765 PolarHBondContact O-N 2.78Å |
| 754 | V | 95.4 | Very high | 91.7 | Very high | 30 Ų | 30 | 33.5 Ų | 33.5 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.7 | -179.9 | -177.9 | 0 | 0 | 0 | 0 | 108 | V626 Y627 V752 T762 I764 | V626-V754 HydrophobicContact CB-CG2 4.42Å; V626-V754 HydrophobicContact CG1-CG2 3.98Å; Y627-V754 HydrophobicContact CD2-CG2 4.38Å; V752-V754 HydrophobicContact CG2-CG2 4.08Å; V754-T762 HydrophobicContact CG1-CG2 3.76Å; V754-I764 HydrophobicContact CG1-CG1 4.21Å; V754-I764 HydrophobicContact CG2-CG1 4.31Å; V754-I764 HydrophobicContact CG2-CG2 4.22Å |
| 755 | D | 94 | Very high | 91.9 | Very high | 48 Ų | 48 | 34.6 Ų | 34.6 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.1 | -177.2 | -171.5 | 11.7 | 0 | 0 | 0 | 110.5 | F753 K757 V763 | F753-D755 HydrophobicContact CD1-CB 4.35Å; F753-D755 HydrophobicContact CE1-CB 3.7Å; F753-D755 HydrophobicContact CZ-CB 4.22Å; D755-K757 WeakPolarHBondContact OD2-CE 3.32Å; D755-K757 IonicContact OD2-NZ 3.3Å; D755-K757 PolarHBondContact OD2-NZ 2.79Å; D755-V763 PolarHBondContact N-O 2.69Å; D755-V763 PolarHBondContact O-N 3.48Å |
| 756 | Q | 92.6 | Very high | 92.2 | Very high | 69 Ų | 69 | 34.3 Ų | 34.3 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108 | 177.8 | -173.7 | 178.3 | 21.4 | 0 | 0 | 109.4 | H620 T758 E759 | H620-Q756 PolarHBondContact ND1-OE1 2.98Å; Q756-T758 WeakPolarHBondContact CG-O 3.27Å; Q756-T758 PolarHBondContact NE2-O 2.93Å; Q756-E759 PolarHBondContact NE2-O 3.38Å |
| 757 | K | 92.2 | Very high | 92.5 | Very high | 49 Ų | 49 | 31.9 Ų | 31.9 | 21% | 0.213 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -34.7 | -177.5 | -64.7 | -57 | -168.9 | -174 | 0 | 112.9 | D755 V761 V763 V794 F797 | D755-K757 WeakPolarHBondContact OD2-CE 3.32Å; D755-K757 IonicContact OD2-NZ 3.3Å; D755-K757 PolarHBondContact OD2-NZ 2.79Å; K757-V761 HydrophobicContact CB-CG1 4.35Å; K757-V761 PolarHBondContact N-O 2.86Å; K757-V763 HydrophobicContact CG-CB 4.48Å; K757-V763 HydrophobicContact CG-CG2 3.65Å; K757-V794 HydrophobicContact CB-CG1 4.04Å; K757-V794 HydrophobicContact CG-CG1 4.42Å; K757-F797 VanDerWaalsContact CE-CB 3.45Å; K757-F797 VanDerWaalsContact NZ-CB 3.3Å |
| 758 | T | 91 | Very high | 92.7 | Very high | 32 Ų | 32 | 31 Ų | 31 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 175.7 | 173.3 | 73.2 | 0 | 0 | 0 | 0 | 109.4 | Q756 D760 V761 V792 | Q756-T758 WeakPolarHBondContact CG-O 3.27Å; Q756-T758 PolarHBondContact NE2-O 2.93Å; T758-D760 PolarHBondContact O-N 2.91Å; T758-D760 VanDerWaalsContact O-N 3.13Å; T758-D760 PolarHBondContact OG1-N 3.33Å; T758-V761 PolarHBondContact N-O 3.32Å; T758-V761 PolarHBondContact O-N 2.87Å; T758-V761 VanDerWaalsContact OG1-CB 3.31Å; T758-V761 WeakPolarHBondContact OG1-CB 3.28Å; T758-V761 WeakPolarHBondContact OG1-CG2 3.49Å; T758-V761 PolarHBondContact OG1-N 3.1Å; T758-V761 VanDerWaalsContact OG1-N 3.12Å; T758-V792 HydrophobicContact CG2-CG1 3.85Å |
| 759 | E | 90.2 | Very high | 92.6 | Very high | 127 Ų | 127 | 29 Ų | 29 | 59% | 0.593 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -38.4 | 175.1 | -171.4 | 177.9 | -170.3 | 0 | 0 | 112.9 | Q756 R790 | Q756-E759 PolarHBondContact NE2-O 3.38Å; E759-R790 IonicContact OE2-NH1 2.8Å; E759-R790 PolarHBondContact OE2-NH1 2.91Å |
| 760 | D | 91.6 | Very high | 92 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -5.6 | -175.1 | -65.3 | -44.3 | 0 | 0 | 0 | 114.1 | T758 R780 N781 | T758-D760 PolarHBondContact O-N 2.91Å; T758-D760 VanDerWaalsContact O-N 3.13Å; T758-D760 PolarHBondContact OG1-N 3.33Å; D760-R780 CarbonylContact O-C 3.55Å; D760-R780 WeakPolarHBondContact O-CA 3.49Å; D760-N781 PolarHBondContact O-N 3.13Å |
| 761 | V | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.7 | -173.1 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | K757 T758 V778 L779 R780 V792 V794 | K757-V761 HydrophobicContact CB-CG1 4.35Å; K757-V761 PolarHBondContact N-O 2.86Å; T758-V761 PolarHBondContact N-O 3.32Å; T758-V761 PolarHBondContact O-N 2.87Å; T758-V761 VanDerWaalsContact OG1-CB 3.31Å; T758-V761 WeakPolarHBondContact OG1-CB 3.28Å; T758-V761 WeakPolarHBondContact OG1-CG2 3.49Å; T758-V761 PolarHBondContact OG1-N 3.1Å; T758-V761 VanDerWaalsContact OG1-N 3.12Å; V761-V778 HydrophobicContact CG1-CG1 4.35Å; V761-L779 VanDerWaalsContact CA-O 3.28Å; V761-L779 WeakPolarHBondContact CA-O 3.23Å; V761-R780 HydrophobicContact CG2-CB 4.18Å; V761-R780 HydrophobicContact CG2-CG 4.11Å; V761-V792 HydrophobicContact CG2-CG1 3.92Å; V761-V794 HydrophobicContact CB-CG2 4.28Å; V761-V794 HydrophobicContact CG1-CG1 4.26Å; V761-V794 HydrophobicContact CG1-CG2 4.05Å; V761-V794 HydrophobicContact CG2-CG2 3.9Å |
| 762 | T | 95.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.7 | 178.4 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | V619 M679 V754 I764 L779 | V619-T762 VanDerWaalsContact CG1-OG1 3.3Å; V619-T762 WeakPolarHBondContact CG1-OG1 3.2Å; M679-T762 HydrophobicContact CE-CG2 4.02Å; V754-T762 HydrophobicContact CG1-CG2 3.76Å; T762-I764 HydrophobicContact CG2-CD1 4.39Å; T762-I764 HydrophobicContact CG2-CG1 4.01Å; T762-L779 PolarHBondContact N-O 2.91Å; T762-L779 PolarHBondContact O-N 3.4Å |
| 763 | V | 95.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.7 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | D755 K757 I776 Y777 V778 F797 | D755-V763 PolarHBondContact N-O 2.69Å; D755-V763 PolarHBondContact O-N 3.48Å; K757-V763 HydrophobicContact CG-CB 4.48Å; K757-V763 HydrophobicContact CG-CG2 3.65Å; V763-I776 HydrophobicContact CG1-CG2 3.64Å; V763-Y777 CarbonylContact C-O 3.54Å; V763-Y777 VanDerWaalsContact CA-O 3.22Å; V763-Y777 WeakPolarHBondContact CA-O 3.43Å; V763-V778 HydrophobicContact CG2-CG1 4.34Å; V763-V778 HydrophobicContact CG2-CG2 4.29Å; V763-F797 HydrophobicContact CG1-CE2 4.1Å; V763-F797 HydrophobicContact CG1-CZ 4.5Å; V763-F797 HydrophobicContact CG2-CE1 4.27Å; V763-F797 HydrophobicContact CG2-CE2 4.29Å; V763-F797 HydrophobicContact CG2-CZ 3.98Å |
| 764 | I | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.3 | -178.2 | -56 | 158.6 | 0 | 0 | 0 | 107.6 | V626 M679 S682 V752 F753 V754 T762 I776 Y777 L779 | V626-I764 HydrophobicContact CG1-CD1 4.18Å; V626-I764 HydrophobicContact CG1-CG2 4.23Å; M679-I764 HydrophobicContact CE-CD1 4.37Å; M679-I764 HydrophobicContact CG-CD1 3.89Å; S682-I764 WeakPolarHBondContact OG-CD1 3.38Å; V752-I764 HydrophobicContact CG2-CG2 4.35Å; F753-I764 CarbonylContact O-C 3.57Å; F753-I764 WeakPolarHBondContact O-CA 3.43Å; V754-I764 HydrophobicContact CG1-CG1 4.21Å; V754-I764 HydrophobicContact CG2-CG1 4.31Å; V754-I764 HydrophobicContact CG2-CG2 4.22Å; T762-I764 HydrophobicContact CG2-CD1 4.39Å; T762-I764 HydrophobicContact CG2-CG1 4.01Å; I764-I776 CarbonylContact O-C 3.58Å; I764-I776 VanDerWaalsContact O-CA 3.3Å; I764-I776 WeakPolarHBondContact O-CA 3.29Å; I764-Y777 HydrophobicContact CB-CD2 4.29Å; I764-Y777 HydrophobicContact CG2-CD2 4.43Å; I764-Y777 PolarHBondContact N-O 3.4Å; I764-Y777 WeakPolarHBondContact O-CD2 3.39Å; I764-Y777 PolarHBondContact O-N 3.15Å; I764-L779 HydrophobicContact CD1-CD1 3.75Å |
| 765 | R | 95.3 | Very high | 91.2 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126 | 176.6 | 177.4 | 177.1 | -174.4 | -172 | 0.3 | 109.2 | V752 F753 S774 I776 F1044 | V752-R765 CarbonylContact C-O 3.59Å; V752-R765 VanDerWaalsContact CA-O 3.29Å; V752-R765 WeakPolarHBondContact CA-O 3.22Å; F753-R765 HydrophobicContact CB-CB 4.28Å; F753-R765 PolarHBondContact N-O 3.39Å; F753-R765 PolarHBondContact O-N 2.78Å; R765-S774 PolarHBondContact NE-OG 3.23Å; R765-S774 PolarHBondContact NH2-OG 2.67Å; R765-I776 HydrophobicContact CB-CG1 4.22Å; R765-I776 HydrophobicContact CG-CD1 4.47Å; R765-I776 HydrophobicContact CG-CG1 4.06Å; R765-F1044 VanDerWaalsContact NH2-CZ 3.3Å |
| 766 | R | 95.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.3 | 165.7 | -61.1 | -62.2 | -66.4 | -165.1 | 13.3 | 108.1 | G630 S682 G684 V744 F749 E751 S774 I775 Y777 | G630-R766 PolarHBondContact O-NH1 3.38Å; G630-R766 PolarHBondContact O-NH2 3.03Å; S682-R766 WeakPolarHBondContact O-CD 3.25Å; S682-R766 PolarHBondContact O-NH1 3.28Å; G684-R766 VanDerWaalsContact CA-NH1 3.27Å; G684-R766 VanDerWaalsContact CA-NH2 3.35Å; V744-R766 HydrophobicContact CG1-CB 4.28Å; V744-R766 HydrophobicContact CG1-CG 4.24Å; F749-R766 HydrophobicContact CB-CB 4.18Å; F749-R766 HydrophobicContact CD1-CB 4.35Å; F749-R766 VanDerWaalsContact O-CZ 3.3Å; F749-R766 PolarHBondContact O-NE 3.35Å; F749-R766 VanDerWaalsContact O-NE 3.17Å; F749-R766 PolarHBondContact O-NH2 2.83Å; E751-R766 CarbonylContact O-C 3.54Å; E751-R766 VanDerWaalsContact O-CA 3.29Å; E751-R766 WeakPolarHBondContact O-CA 3.39Å; R766-S774 CarbonylContact O-C 3.43Å; R766-S774 WeakPolarHBondContact O-CA 3.16Å; R766-I775 HydrophobicContact CB-CB 4.36Å; R766-I775 PolarHBondContact N-O 3.02Å; R766-I775 PolarHBondContact O-N 3.15Å; R766-Y777 HydrophobicContact CG-CD2 4.49Å; R766-Y777 HydrophobicContact CG-CE2 3.72Å |
| 767 | F | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.7 | 179.8 | 179.2 | -108.4 | 0 | 0 | 0 | 110.8 | V634 F749 N750 E751 P769 E773 S774 F1044 M1045 | V634-F767 HydrophobicContact CG2-CB 4.16Å; F749-F767 CarbonylContact C-O 3.26Å; F749-F767 WeakPolarHBondContact CA-O 3.41Å; N750-F767 PolarHBondContact N-O 3.37Å; E751-F767 HydrophobicContact CB-CB 4.13Å; E751-F767 HydrophobicContact CB-CD1 4.46Å; E751-F767 PolarHBondContact N-O 3.34Å; E751-F767 PolarHBondContact O-N 3.36Å; E751-F767 VanDerWaalsContact OE2-CD1 3.26Å; E751-F767 WeakPolarHBondContact OE2-CD1 3.44Å; F767-P769 HydrophobicContact CD1-CG 4.18Å; F767-P769 HydrophobicContact CE1-CB 4.25Å; F767-P769 HydrophobicContact CE1-CG 4.16Å; F767-E773 WeakPolarHBondContact CD2-O 3.38Å; F767-S774 VanDerWaalsContact CD2-OG 3.31Å; F767-S774 WeakPolarHBondContact CD2-OG 3.34Å; F767-F1044 HydrophobicContact CD1-CE2 4.5Å; F767-F1044 HydrophobicContact CE1-CE2 4.17Å; F767-F1044 HydrophobicContact CE2-CZ 4.44Å; F767-F1044 HydrophobicContact CZ-CE2 4.18Å; F767-F1044 HydrophobicContact CZ-CZ 4.39Å; F767-M1045 HydrophobicContact CE1-CE 4Å; F767-M1045 HydrophobicContact CE1-SD 4.14Å; F767-M1045 HydrophobicContact CZ-CE 4.06Å; F767-M1045 HydrophobicContact CZ-SD 3.82Å |
| 768 | C | 90.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.4 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | S747 F749 T770 M771 M772 E773 | S747-C768 PolarHBondContact O-SG 2.93Å; F749-C768 HydrophobicContact CB-CB 4.34Å; F749-C768 HydrophobicContact CD1-CB 3.64Å; F749-C768 HydrophobicContact CD2-CB 3.83Å; F749-C768 HydrophobicContact CE1-CB 3.79Å; F749-C768 HydrophobicContact CE2-CB 3.98Å; F749-C768 HydrophobicContact CG-CB 3.66Å; F749-C768 HydrophobicContact CZ-CB 3.96Å; C768-T770 VanDerWaalsContact C-N 3.26Å; C768-T770 PolarHBondContact O-N 3.4Å; C768-M771 HydrophobicContact CB-CB 4.16Å; C768-M771 PolarHBondContact SG-N 3.27Å; C768-M772 WeakPolarHBondContact O-CA 3.19Å; C768-M772 PolarHBondContact O-N 3.46Å; C768-E773 PolarHBondContact N-O 2.94Å |
| 769 | P | 80.8 | Confident | 91.9 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.4 | 178.8 | -25.5 | 35 | 0 | 0 | 0 | 113.7 | E751 F767 | E751-P769 HydrophobicContact CG-CG 4.18Å; F767-P769 HydrophobicContact CD1-CG 4.18Å; F767-P769 HydrophobicContact CE1-CB 4.25Å; F767-P769 HydrophobicContact CE1-CG 4.16Å |
| 770 | T | 77.7 | Confident | 92.1 | Very high | 75 Ų | 75 | 13.8 Ų | 13.8 | 46% | 0.46 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -47.6 | -177.1 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | C768 | C768-T770 VanDerWaalsContact C-N 3.26Å; C768-T770 PolarHBondContact O-N 3.4Å |
| 771 | M | 82.4 | Confident | 92.2 | Very high | 87 Ų | 87 | 13.4 Ų | 13.4 | 43% | 0.429 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15 | 179.5 | -67.3 | -176.9 | 58.4 | 0 | 0 | 113.5 | F749 C768 E773 | F749-M771 HydrophobicContact CE2-SD 4.37Å; C768-M771 HydrophobicContact CB-CB 4.16Å; C768-M771 PolarHBondContact SG-N 3.27Å; M771-E773 HydrophobicContact CB-CB 4.38Å; M771-E773 PolarHBondContact O-N 2.88Å |
| 772 | M | 86.8 | Confident | 92.1 | Very high | 12 Ų | 12 | 13.4 Ų | 13.4 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 34.1 | -177.9 | -51.5 | 174.8 | -172.1 | 0 | 0 | 112.6 | C768 L893 R898 L901 V902 | C768-M772 WeakPolarHBondContact O-CA 3.19Å; C768-M772 PolarHBondContact O-N 3.46Å; M772-L893 HydrophobicContact CB-CB 4.42Å; M772-L893 HydrophobicContact CB-CD1 3.96Å; M772-L893 HydrophobicContact CB-CG 4.2Å; M772-L893 HydrophobicContact CG-CD1 4.46Å; M772-L893 PolarHBondContact O-N 3.48Å; M772-R898 HydrophobicContact CB-CG 4.2Å; M772-R898 HydrophobicContact SD-CB 4.08Å; M772-R898 HydrophobicContact SD-CG 3.81Å; M772-L901 HydrophobicContact CE-CB 3.96Å; M772-L901 HydrophobicContact CE-CD2 3.51Å; M772-L901 HydrophobicContact CE-CG 3.77Å; M772-L901 HydrophobicContact CG-CD2 3.84Å; M772-L901 HydrophobicContact SD-CB 4.18Å; M772-L901 HydrophobicContact SD-CD2 3.68Å; M772-L901 HydrophobicContact SD-CG 4.33Å; M772-V902 HydrophobicContact CE-CG2 3.67Å; M772-V902 HydrophobicContact SD-CG2 4.32Å |
| 773 | E | 91.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 14.3 Ų | 14.3 | 13% | 0.131 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.6 | -177.1 | -172.6 | 178 | 172.6 | 0 | 0 | 110.3 | F749 F767 C768 M771 S890 V891 T892 | F749-E773 HydrophobicContact CE1-CB 4.04Å; F749-E773 HydrophobicContact CE1-CG 4.16Å; F749-E773 VanDerWaalsContact CE1-O 3.28Å; F749-E773 WeakPolarHBondContact CE1-O 3.02Å; F749-E773 HydrophobicContact CZ-CB 4.02Å; F749-E773 HydrophobicContact CZ-CG 4.12Å; F767-E773 WeakPolarHBondContact CD2-O 3.38Å; C768-E773 PolarHBondContact N-O 2.94Å; M771-E773 HydrophobicContact CB-CB 4.38Å; M771-E773 PolarHBondContact O-N 2.88Å; E773-S890 PolarHBondContact OE1-OG 2.93Å; E773-V891 CarbonylContact C-O 3.53Å; E773-T892 HydrophobicContact CG-CG2 4.19Å |
| 774 | S | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.8 | 170.3 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | R765 R766 F767 V891 | R765-S774 PolarHBondContact NE-OG 3.23Å; R765-S774 PolarHBondContact NH2-OG 2.67Å; R766-S774 CarbonylContact O-C 3.43Å; R766-S774 WeakPolarHBondContact O-CA 3.16Å; F767-S774 VanDerWaalsContact CD2-OG 3.31Å; F767-S774 WeakPolarHBondContact CD2-OG 3.34Å; S774-V891 PolarHBondContact N-O 2.7Å; S774-V891 PolarHBondContact O-N 2.95Å |
| 775 | I | 95.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.6 | 162.2 | -55.5 | -50.7 | 0 | 0 | 0 | 108.1 | L740 V744 F749 R766 Y777 L807 V888 L889 | L740-I775 HydrophobicContact CD2-CG2 4.29Å; V744-I775 HydrophobicContact CG2-CG1 4.09Å; F749-I775 HydrophobicContact CD1-CG1 4.21Å; F749-I775 HydrophobicContact CE1-CD1 4.35Å; F749-I775 HydrophobicContact CE1-CG1 3.79Å; F749-I775 HydrophobicContact CZ-CD1 4.45Å; F749-I775 HydrophobicContact CZ-CG1 4.13Å; R766-I775 HydrophobicContact CB-CB 4.36Å; R766-I775 PolarHBondContact N-O 3.02Å; R766-I775 PolarHBondContact O-N 3.15Å; I775-Y777 HydrophobicContact CB-CE2 4.27Å; I775-Y777 HydrophobicContact CG2-CD2 4.35Å; I775-Y777 HydrophobicContact CG2-CE1 4.47Å; I775-Y777 HydrophobicContact CG2-CE2 3.62Å; I775-L807 HydrophobicContact CD1-CD1 3.87Å; I775-L807 HydrophobicContact CG2-CD1 4.32Å; I775-V888 HydrophobicContact CG2-CG1 3.53Å; I775-L889 CarbonylContact C-O 3.47Å; I775-L889 WeakPolarHBondContact CA-O 3.49Å |
| 776 | I | 95.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.6 | -175.6 | -58.3 | 177.4 | 0 | 0 | 0 | 109.8 | V763 I764 R765 L799 V888 L889 V891 | V763-I776 HydrophobicContact CG1-CG2 3.64Å; I764-I776 CarbonylContact O-C 3.58Å; I764-I776 VanDerWaalsContact O-CA 3.3Å; I764-I776 WeakPolarHBondContact O-CA 3.29Å; R765-I776 HydrophobicContact CB-CG1 4.22Å; R765-I776 HydrophobicContact CG-CD1 4.47Å; R765-I776 HydrophobicContact CG-CG1 4.06Å; I776-L799 HydrophobicContact CD1-CD2 3.68Å; I776-V888 CarbonylContact O-C 3.6Å; I776-V888 WeakPolarHBondContact O-CA 3.49Å; I776-L889 HydrophobicContact CB-CB 4.25Å; I776-L889 PolarHBondContact N-O 2.83Å; I776-L889 PolarHBondContact O-N 3.17Å; I776-V891 HydrophobicContact CD1-CB 4.39Å; I776-V891 HydrophobicContact CD1-CG2 3.85Å; I776-V891 HydrophobicContact CG1-CG2 4.48Å |
| 777 | Y | 96.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.9 | 179 | -54 | -103.4 | 0 | 0 | 0 | 108.6 | V678 L740 V763 I764 R766 I775 V888 | V678-Y777 HydrophobicContact CG1-CD1 3.66Å; V678-Y777 HydrophobicContact CG1-CE1 4.18Å; L740-Y777 HydrophobicContact CD2-CE1 3.85Å; L740-Y777 WeakPolarHBondContact CD2-OH 3.28Å; V763-Y777 CarbonylContact C-O 3.54Å; V763-Y777 VanDerWaalsContact CA-O 3.22Å; V763-Y777 WeakPolarHBondContact CA-O 3.43Å; I764-Y777 HydrophobicContact CB-CD2 4.29Å; I764-Y777 HydrophobicContact CG2-CD2 4.43Å; I764-Y777 PolarHBondContact N-O 3.4Å; I764-Y777 WeakPolarHBondContact O-CD2 3.39Å; I764-Y777 PolarHBondContact O-N 3.15Å; R766-Y777 HydrophobicContact CG-CD2 4.49Å; R766-Y777 HydrophobicContact CG-CE2 3.72Å; I775-Y777 HydrophobicContact CB-CE2 4.27Å; I775-Y777 HydrophobicContact CG2-CD2 4.35Å; I775-Y777 HydrophobicContact CG2-CE1 4.47Å; I775-Y777 HydrophobicContact CG2-CE2 3.62Å; Y777-V888 HydrophobicContact CD1-CB 4.46Å; Y777-V888 HydrophobicContact CD1-CG1 4.07Å; Y777-V888 HydrophobicContact CD1-CG2 3.52Å; Y777-V888 HydrophobicContact CE1-CG1 4.03Å; Y777-V888 HydrophobicContact CE1-CG2 4.01Å; Y777-V888 HydrophobicContact CG-CG2 4.3Å |
| 778 | V | 95.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.6 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | V761 V763 F797 L878 L881 V886 I887 | V761-V778 HydrophobicContact CG1-CG1 4.35Å; V763-V778 HydrophobicContact CG2-CG1 4.34Å; V763-V778 HydrophobicContact CG2-CG2 4.29Å; V778-F797 HydrophobicContact CG2-CZ 3.97Å; V778-L878 HydrophobicContact CG1-CD1 3.86Å; V778-L881 HydrophobicContact CG1-CD1 4.13Å; V778-V886 WeakPolarHBondContact O-CA 3.42Å; V778-I887 HydrophobicContact CB-CB 4.29Å; V778-I887 PolarHBondContact N-O 2.95Å; V778-I887 PolarHBondContact O-N 3.16Å |
| 779 | L | 95.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.3 | -168.4 | -51.8 | 176.6 | 0 | 0 | 0 | 110 | P675 V678 M679 V761 T762 I764 V886 | P675-L779 HydrophobicContact CB-CB 4.38Å; V678-L779 HydrophobicContact CB-CD2 4.04Å; V678-L779 HydrophobicContact CG1-CD2 3.69Å; M679-L779 HydrophobicContact CB-CD1 3.59Å; M679-L779 HydrophobicContact CG-CD1 4.01Å; V761-L779 VanDerWaalsContact CA-O 3.28Å; V761-L779 WeakPolarHBondContact CA-O 3.23Å; T762-L779 PolarHBondContact N-O 2.91Å; T762-L779 PolarHBondContact O-N 3.4Å; I764-L779 HydrophobicContact CD1-CD1 3.75Å; L779-V886 HydrophobicContact CD2-CB 4.12Å; L779-V886 HydrophobicContact CD2-CG1 3.71Å; L779-V886 HydrophobicContact CD2-CG2 3.71Å |
| 780 | R | 94.5 | Very high | 86.1 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 99.9 | 167.6 | -175.9 | 176.1 | 169.2 | -170.3 | -0 | 110.5 | P675 D760 V761 S787 R790 L881 P882 S884 S885 | P675-R780 WeakPolarHBondContact CG-O 3.44Å; D760-R780 CarbonylContact O-C 3.55Å; D760-R780 WeakPolarHBondContact O-CA 3.49Å; V761-R780 HydrophobicContact CG2-CB 4.18Å; V761-R780 HydrophobicContact CG2-CG 4.11Å; R780-S787 PolarHBondContact NH2-O 3.17Å; R780-S787 VanDerWaalsContact NH2-O 3.14Å; R780-R790 PolarHBondContact NH1-O 3.2Å; R780-R790 PolarHBondContact NH2-O 2.82Å; R780-L881 WeakPolarHBondContact CD-O 3.49Å; R780-L881 PolarHBondContact NE-O 3.22Å; R780-L881 PolarHBondContact NH1-O 2.98Å; R780-P882 WeakPolarHBondContact CD-O 3.32Å; R780-S884 PolarHBondContact O-N 3.34Å; R780-S885 PolarHBondContact N-O 2.85Å |
| 781 | N | 94 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -74.9 | 164.6 | 175.3 | -74.5 | 83.5 | 0 | 0 | 0 | 112.3 | V619 D672 T676 D760 F783 | V619-N781 HydrophobicContact CG1-CB 4.08Å; V619-N781 HydrophobicContact CG2-CB 3.55Å; D672-N781 WeakPolarHBondContact OD1-CB 3.43Å; D672-N781 PolarHBondContact OD1-ND2 2.84Å; T676-N781 PolarHBondContact OG1-ND2 3.43Å; D760-N781 PolarHBondContact O-N 3.13Å; N781-F783 HydrophobicContact CB-CD2 4.2Å; N781-F783 HydrophobicContact CB-CE2 4.37Å | ||
| 782 | C | 92.2 | Very high | 86 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -144.6 | 62.1 | -178.2 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | S669 D672 V784 S787 P883 | S669-C782 WeakPolarHBondContact CB-O 3.44Å; S669-C782 WeakPolarHBondContact OG-CB 3.44Å; S669-C782 PolarHBondContact OG-O 2.94Å; S669-C782 PolarHBondContact OG-SG 2.98Å; D672-C782 HydrophobicContact CB-CB 4.48Å; D672-C782 PolarHBondContact OD1-N 3.26Å; C782-V784 VanDerWaalsContact C-N 3.26Å; C782-V784 PolarHBondContact O-N 3.3Å; C782-S787 PolarHBondContact SG-OG 3.39Å; C782-P883 HydrophobicContact CB-CB 4.33Å | ||
| 783 | F | 90.7 | Very high | 85.9 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | trans | -63.8 | -30.9 | -178.3 | -91.5 | -128.4 | 0 | 0 | 0 | 113 | D618 V619 Q622 R668 D672 N781 | D618-F783 VanDerWaalsContact CA-CE1 3.41Å; D618-F783 WeakPolarHBondContact O-CE1 3.26Å; V619-F783 HydrophobicContact CG2-CD2 3.57Å; V619-F783 HydrophobicContact CG2-CE2 3.76Å; V619-F783 HydrophobicContact CG2-CG 4.06Å; V619-F783 HydrophobicContact CG2-CZ 4.39Å; Q622-F783 HydrophobicContact CB-CZ 4.38Å; R668-F783 VanDerWaalsContact CA-O 3.24Å; R668-F783 WeakPolarHBondContact CA-O 3.13Å; R668-F783 HydrophobicContact CG-CD1 4.49Å; R668-F783 HydrophobicContact CG-CG 4.45Å; R668-F783 VanDerWaalsContact CZ-CE1 3.42Å; D672-F783 VanDerWaalsContact OD1-CD2 3.31Å; D672-F783 WeakPolarHBondContact OD1-CD2 3.45Å; N781-F783 HydrophobicContact CB-CD2 4.2Å; N781-F783 HydrophobicContact CB-CE2 4.37Å | ||
| 784 | V | 83.7 | Confident | 85.6 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -116.8 | 123.7 | -176.5 | -148.2 | 0 | 0 | 0 | 0 | 108.8 | C782 S786 S787 | C782-V784 VanDerWaalsContact C-N 3.26Å; C782-V784 PolarHBondContact O-N 3.3Å; V784-S786 WeakPolarHBondContact CG1-OG 3.5Å; V784-S786 PolarHBondContact O-N 3.07Å; V784-S787 PolarHBondContact O-N 3.21Å; V784-S787 PolarHBondContact O-OG 2.87Å |
| 785 | P | 73.4 | Confident | 85.4 | Confident | 71 Ų | 71 | 47 Ų | 47 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -53.3 | -27.8 | -179.7 | -29.7 | 35 | 0 | 0 | 0 | 114.6 | R668 S787 M788 | R668-P785 WeakPolarHBondContact O-CD 3.22Å; R668-P785 WeakPolarHBondContact O-CG 3.42Å; P785-S787 PolarHBondContact O-N 3.33Å; P785-M788 HydrophobicContact CB-CE 3.76Å; P785-M788 WeakPolarHBondContact O-CB 3.32Å; P785-M788 WeakPolarHBondContact O-CE 3.44Å; P785-M788 PolarHBondContact O-N 3.19Å |
| 786 | S | 72.8 | Confident | 85 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.9 | -20.1 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | V784 M788 | V784-S786 WeakPolarHBondContact CG1-OG 3.5Å; V784-S786 PolarHBondContact O-N 3.07Å; S786-M788 VanDerWaalsContact C-N 3.31Å; S786-M788 PolarHBondContact O-N 3.42Å |
| 787 | S | 72.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -79.9 | -9.7 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | R780 C782 V784 P785 G789 R790 | R780-S787 PolarHBondContact NH2-O 3.17Å; R780-S787 VanDerWaalsContact NH2-O 3.14Å; C782-S787 PolarHBondContact SG-OG 3.39Å; V784-S787 PolarHBondContact O-N 3.21Å; V784-S787 PolarHBondContact O-OG 2.87Å; P785-S787 PolarHBondContact O-N 3.33Å; S787-G789 VanDerWaalsContact C-N 3.29Å; S787-G789 PolarHBondContact O-N 3.36Å; S787-R790 PolarHBondContact O-N 3.24Å |
| 788 | M | 73.2 | Confident | 84.2 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -56.1 | -36.8 | -179.5 | -88.2 | -175.8 | -103.6 | 0 | 0 | 114.4 | Y671 P785 S786 P883 | Y671-M788 HydrophobicContact CD2-CE 4.43Å; Y671-M788 HydrophobicContact CD2-CG 3.65Å; Y671-M788 HydrophobicContact CD2-SD 3.41Å; Y671-M788 WeakPolarHBondContact CD2-SD 3.34Å; Y671-M788 HydrophobicContact CE2-CG 3.95Å; Y671-M788 HydrophobicContact CE2-SD 3.27Å; Y671-M788 WeakPolarHBondContact CE2-SD 3.5Å; P785-M788 HydrophobicContact CB-CE 3.76Å; P785-M788 WeakPolarHBondContact O-CB 3.32Å; P785-M788 WeakPolarHBondContact O-CE 3.44Å; P785-M788 PolarHBondContact O-N 3.19Å; S786-M788 VanDerWaalsContact C-N 3.31Å; S786-M788 PolarHBondContact O-N 3.42Å; M788-P883 VanDerWaalsContact O-CG 3.22Å; M788-P883 WeakPolarHBondContact O-CG 3.06Å |
| 789 | G | 72.3 | Confident | 83.7 | Confident | 78 Ų | 78 | 56 Ų | 56 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -92 | -5.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S787 | S787-G789 VanDerWaalsContact C-N 3.29Å; S787-G789 PolarHBondContact O-N 3.36Å |
| 790 | R | 77 | Confident | 83.1 | Confident | 143 Ų | 143 | 56.4 Ų | 56.4 | 54% | 0.54 | 31% | 0.314 | S | S | . | . | trans | -82.2 | 127.6 | -172.6 | -170.7 | 178.4 | 179.5 | -174 | 1 | 109.8 | E759 R780 S787 | E759-R790 IonicContact OE2-NH1 2.8Å; E759-R790 PolarHBondContact OE2-NH1 2.91Å; R780-R790 PolarHBondContact NH1-O 3.2Å; R780-R790 PolarHBondContact NH2-O 2.82Å; S787-R790 PolarHBondContact O-N 3.24Å | ||
| 791 | K | 79 | Confident | 82.7 | Confident | 162 Ų | 162 | 56.3 Ų | 56.3 | 70% | 0.704 | 32% | 0.315 | S | S | * | . | trans | -71.6 | 136 | 162.4 | -76.3 | -157 | 169 | -169.5 | 0 | 109.4 | D880 | K791-D880 WeakPolarHBondContact CD-OD2 3.29Å; K791-D880 WeakPolarHBondContact CE-OD2 3.06Å; K791-D880 WeakPolarHBondContact CG-OD2 3.24Å; K791-D880 IonicContact NZ-OD2 3.46Å | ||
| 792 | V | 80.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | trans | -115.4 | 118.5 | 179.6 | -179 | 0 | 0 | 0 | 0 | 107.9 | T758 V761 V794 D880 | T758-V792 HydrophobicContact CG2-CG1 3.85Å; V761-V792 HydrophobicContact CG2-CG1 3.92Å; V792-V794 HydrophobicContact CG1-CG2 4.13Å; V792-D880 PolarHBondContact N-OD1 3.41Å | ||
| 793 | N | 83 | Confident | 82.2 | Confident | 147 Ų | 147 | 60 Ų | 60 | 79% | 0.786 | 34% | 0.336 | S | S | * | . | trans | -90.2 | 105.3 | 175.2 | -155.8 | 6.3 | 0 | 0 | 0 | 108 | ||||
| 794 | V | 86.8 | Confident | 82.1 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 123.7 | -177.7 | -178 | 0 | 0 | 0 | 0 | 108.6 | K757 V761 V792 F797 L878 L881 | K757-V794 HydrophobicContact CB-CG1 4.04Å; K757-V794 HydrophobicContact CG-CG1 4.42Å; V761-V794 HydrophobicContact CB-CG2 4.28Å; V761-V794 HydrophobicContact CG1-CG1 4.26Å; V761-V794 HydrophobicContact CG1-CG2 4.05Å; V761-V794 HydrophobicContact CG2-CG2 3.9Å; V792-V794 HydrophobicContact CG1-CG2 4.13Å; V794-F797 HydrophobicContact CG1-CE1 4.46Å; V794-L878 HydrophobicContact CB-CD1 4.47Å; V794-L878 HydrophobicContact CG1-CD1 4.18Å; V794-L881 HydrophobicContact CG2-CD1 3.9Å |
| 795 | P | 87.8 | Confident | 82.5 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 142.2 | 174.4 | -23.1 | 32.5 | 0 | 0 | 0 | 110.9 | F797 | P795-F797 WeakPolarHBondContact O-CD1 3.38Š|
| 796 | K | 88.8 | Confident | 83.4 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 146.9 | 171.7 | -54.6 | -172.2 | -175.6 | -148 | 0 | 110.3 | E875 L876 E877 | K796-E875 HydrophobicContact CB-CG 4.38Å; K796-E875 HydrophobicContact CD-CG 4.45Å; K796-E875 WeakPolarHBondContact CD-OE1 3.4Å; K796-E875 IonicContact NZ-OE1 3.73Å; K796-L876 WeakPolarHBondContact CA-O 3.49Å; K796-E877 HydrophobicContact CD-CB 4.47Å; K796-E877 HydrophobicContact CD-CG 4.41Å; K796-E877 WeakPolarHBondContact CE-OE1 3.45Å; K796-E877 HydrophobicContact CG-CB 4.4Å; K796-E877 HydrophobicContact CG-CG 4.29Å; K796-E877 IonicContact NZ-OE1 3.1Å; K796-E877 PolarHBondContact NZ-OE1 3.3Å; K796-E877 IonicContact NZ-OE2 2.64Å; K796-E877 PolarHBondContact NZ-OE2 3.38Å |
| 797 | F | 87.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.053 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.8 | 176.6 | 61.6 | -86.3 | 0 | 0 | 0 | 112.5 | K757 V763 V778 V794 P795 L799 L876 L878 | K757-F797 VanDerWaalsContact CE-CB 3.45Å; K757-F797 VanDerWaalsContact NZ-CB 3.3Å; V763-F797 HydrophobicContact CG1-CE2 4.1Å; V763-F797 HydrophobicContact CG1-CZ 4.5Å; V763-F797 HydrophobicContact CG2-CE1 4.27Å; V763-F797 HydrophobicContact CG2-CE2 4.29Å; V763-F797 HydrophobicContact CG2-CZ 3.98Å; V778-F797 HydrophobicContact CG2-CZ 3.97Å; V794-F797 HydrophobicContact CG1-CE1 4.46Å; P795-F797 WeakPolarHBondContact O-CD1 3.38Å; F797-L799 HydrophobicContact CD2-CD2 3.94Å; F797-L799 HydrophobicContact CE2-CD2 3.65Å; F797-L876 HydrophobicContact CE1-CD2 4.13Å; F797-L876 HydrophobicContact CE2-CD2 3.99Å; F797-L876 HydrophobicContact CZ-CD2 3.54Å; F797-L876 PolarHBondContact N-O 2.91Å; F797-L876 PolarHBondContact O-N 3.22Å; F797-L878 HydrophobicContact CE1-CD1 3.81Å; F797-L878 HydrophobicContact CE1-CG 4.38Å; F797-L878 HydrophobicContact CZ-CD1 4.28Å |
| 798 | D | 86.3 | Confident | 85.4 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.2 | -175.8 | -65.2 | -35.8 | 0 | 0 | 0 | 111.8 | L873 | D798-L873 HydrophobicContact CB-CB 4.24Å; D798-L873 HydrophobicContact CB-CD1 4.36Å |
| 799 | L | 86.4 | Confident | 86.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.6 | 168.3 | -49.2 | -178.3 | 0 | 0 | 0 | 108.1 | I776 F797 G801 L803 L873 T874 L876 L889 V891 | I776-L799 HydrophobicContact CD1-CD2 3.68Å; F797-L799 HydrophobicContact CD2-CD2 3.94Å; F797-L799 HydrophobicContact CE2-CD2 3.65Å; L799-G801 PolarHBondContact O-N 3.39Å; L799-L803 HydrophobicContact CD1-CB 4.45Å; L799-L873 WeakPolarHBondContact O-CA 3.41Å; L799-T874 WeakPolarHBondContact CB-O 3.42Å; L799-T874 PolarHBondContact N-O 2.81Å; L799-T874 PolarHBondContact O-N 3.28Å; L799-L876 HydrophobicContact CD1-CB 4.36Å; L799-L876 HydrophobicContact CD1-CD1 4.21Å; L799-L876 HydrophobicContact CG-CB 4.34Å; L799-L889 HydrophobicContact CD1-CD1 4.17Å; L799-V891 HydrophobicContact CB-CG1 4.35Å; L799-V891 HydrophobicContact CD1-CG2 4.01Å |
| 800 | A | 82.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 85.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L873 L893 F1044 | A800-L873 HydrophobicContact CB-CD2 3.99Å; A800-L893 WeakPolarHBondContact O-CD2 3.43Å; A800-F1044 HydrophobicContact CB-CD1 4.14Å; A800-F1044 HydrophobicContact CB-CE1 3.56Å; A800-F1044 HydrophobicContact CB-CZ 4.49Å |
| 801 | G | 85.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 137.8 | -176.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L799 T874 T892 | L799-G801 PolarHBondContact O-N 3.39Å; G801-T874 VanDerWaalsContact O-CB 3.28Å; G801-T874 WeakPolarHBondContact O-CB 3.4Å; G801-T874 PolarHBondContact O-OG1 3.38Å; G801-T892 CarbonylContact C-O 3.59Å; G801-T892 WeakPolarHBondContact CA-O 3.44Å |
| 802 | T | 87.1 | Confident | 89 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 37% | 0.368 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.3 | 177.3 | -55 | 0 | 0 | 0 | 0 | 110.1 | E804 V891 T892 | T802-E804 PolarHBondContact O-N 3.29Å; T802-V891 WeakPolarHBondContact O-CA 3.42Å; T802-T892 PolarHBondContact N-O 3.37Å; T802-T892 PolarHBondContact O-N 2.77Å |
| 803 | L | 89.7 | Confident | 89.5 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 112.5 | 170.2 | 175.7 | 61.2 | 0 | 0 | 0 | 109.7 | L799 P857 I863 V866 L876 L889 V891 | L799-L803 HydrophobicContact CD1-CB 4.45Å; L803-P857 HydrophobicContact CD2-CB 3.88Å; L803-P857 HydrophobicContact CD2-CG 3.61Å; L803-P857 HydrophobicContact CG-CG 3.84Å; L803-I863 HydrophobicContact CD2-CD1 4.24Å; L803-V866 HydrophobicContact CD2-CG1 4.49Å; L803-V866 HydrophobicContact CD2-CG2 4.17Å; L803-L876 HydrophobicContact CD2-CD1 4.23Å; L803-L889 HydrophobicContact CD1-CB 3.76Å; L803-L889 HydrophobicContact CD1-CD1 4.42Å; L803-L889 HydrophobicContact CD1-CD2 3.99Å; L803-L889 HydrophobicContact CD1-CG 4.27Å; L803-V891 HydrophobicContact CD1-CG2 4.18Å |
| 804 | E | 87.7 | Confident | 89.8 | Confident | 90 Ų | 90 | 36.8 Ų | 36.8 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -52.9 | -179.9 | -65.9 | -66.2 | 159.4 | 0 | 0 | 111 | T802 S890 T892 | T802-E804 PolarHBondContact O-N 3.29Å; E804-S890 PolarHBondContact N-O 2.57Å; E804-T892 HydrophobicContact CG-CG2 3.68Å; E804-T892 PolarHBondContact OE1-OG1 2.75Å |
| 805 | T | 91.8 | Very high | 89.6 | Confident | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.172 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.3 | -174.7 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | L807 V855 S890 | T805-L807 HydrophobicContact CG2-CD2 3.99Å; T805-V855 PolarHBondContact OG1-O 3.33Å; T805-S890 PolarHBondContact O-N 3.49Å |
| 806 | I | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 108.9 | 164.8 | -53.1 | 172 | 0 | 0 | 0 | 106.7 | F808 E809 D854 V855 S860 I863 I887 V888 L889 | I806-F808 VanDerWaalsContact C-N 3.26Å; I806-F808 PolarHBondContact O-N 3.43Å; I806-E809 HydrophobicContact CG2-CB 4.44Å; I806-D854 CarbonylContact O-C 3.53Å; I806-D854 WeakPolarHBondContact O-CA 3.34Å; I806-D854 PolarHBondContact O-N 2.96Å; I806-V855 HydrophobicContact CB-CB 4.12Å; I806-V855 VanDerWaalsContact CB-O 3.3Å; I806-V855 WeakPolarHBondContact CB-O 3.02Å; I806-V855 HydrophobicContact CD1-CB 4.42Å; I806-V855 HydrophobicContact CD1-CG1 4.38Å; I806-V855 PolarHBondContact N-O 3.22Å; I806-V855 PolarHBondContact O-N 3.22Å; I806-S860 VanDerWaalsContact CD1-CB 3.47Å; I806-I863 HydrophobicContact CD1-CD1 3.59Å; I806-I863 HydrophobicContact CD1-CG1 4.47Å; I806-I863 HydrophobicContact CG1-CD1 4.12Å; I806-I887 HydrophobicContact CG2-CG2 3.79Å; I806-V888 CarbonylContact C-O 3.53Å; I806-V888 WeakPolarHBondContact CA-O 3.45Å; I806-V888 WeakPolarHBondContact CG2-O 3.45Å; I806-L889 HydrophobicContact CB-CD2 4.44Å; I806-L889 HydrophobicContact CG1-CD2 3.83Å; I806-L889 HydrophobicContact CG2-CD2 4.38Å |
| 807 | L | 94.1 | Very high | 86.5 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -43.1 | 178.9 | -65.5 | -178.5 | 0 | 0 | 0 | 110.9 | L740 I775 T805 E853 D854 V888 | L740-L807 HydrophobicContact CD1-CD1 3.88Å; L740-L807 HydrophobicContact CD2-CD1 4.4Å; I775-L807 HydrophobicContact CD1-CD1 3.87Å; I775-L807 HydrophobicContact CG2-CD1 4.32Å; T805-L807 HydrophobicContact CG2-CD2 3.99Å; L807-E853 WeakPolarHBondContact O-CA 3.36Å; L807-D854 PolarHBondContact O-N 3Å; L807-V888 HydrophobicContact CB-CB 4.48Å; L807-V888 HydrophobicContact CB-CG1 4.37Å; L807-V888 HydrophobicContact CD1-CG1 4.11Å; L807-V888 PolarHBondContact N-O 2.81Å |
| 808 | F | 93.5 | Very high | 83.9 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 147.5 | 167.9 | 45.7 | -91.2 | 0 | 0 | 0 | 112.8 | T736 F737 L740 I806 M851 K852 E853 V886 V888 | T736-F808 HydrophobicContact CG2-CD1 3.72Å; T736-F808 HydrophobicContact CG2-CE1 3.83Å; T736-F808 HydrophobicContact CG2-CG 4.39Å; F737-F808 HydrophobicContact CB-CZ 4.19Å; L740-F808 HydrophobicContact CD2-CE1 3.68Å; L740-F808 HydrophobicContact CD2-CZ 3.76Å; I806-F808 VanDerWaalsContact C-N 3.26Å; I806-F808 PolarHBondContact O-N 3.43Å; F808-M851 HydrophobicContact CB-CE 3.89Å; F808-M851 HydrophobicContact CD2-CE 4.45Å; F808-M851 HydrophobicContact CG-CE 4.09Å; F808-K852 CarbonylContact C-O 3.44Å; F808-K852 WeakPolarHBondContact CA-O 3.47Å; F808-K852 VanDerWaalsContact CB-O 3.29Å; F808-K852 WeakPolarHBondContact CB-O 3.33Å; F808-E853 HydrophobicContact CB-CG 4.29Å; F808-V886 HydrophobicContact CE2-CG1 4.23Å; F808-V888 HydrophobicContact CD2-CB 4.21Å; F808-V888 HydrophobicContact CD2-CG2 3.91Å; F808-V888 HydrophobicContact CE1-CB 4.2Å; F808-V888 HydrophobicContact CE1-CG1 4.49Å; F808-V888 HydrophobicContact CE1-CG2 4.29Å; F808-V888 HydrophobicContact CE2-CB 3.89Å; F808-V888 HydrophobicContact CE2-CG2 3.25Å; F808-V888 HydrophobicContact CZ-CB 3.88Å; F808-V888 HydrophobicContact CZ-CG1 4.32Å; F808-V888 HydrophobicContact CZ-CG2 3.48Å; F808-V888 VanDerWaalsContact CZ-CG2 3.48Å; F808-V888 PolarHBondContact O-N 2.61Å |
| 809 | E | 94.1 | Very high | 81.1 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.7 | 163.7 | 66.4 | 171.9 | -152.9 | 0 | 0 | 109.3 | I806 M851 K852 V855 S860 E861 H862 V886 | I806-E809 HydrophobicContact CG2-CB 4.44Å; E809-M851 WeakPolarHBondContact O-CA 3.32Å; E809-K852 HydrophobicContact CG-CB 3.96Å; E809-K852 HydrophobicContact CG-CD 4.31Å; E809-K852 HydrophobicContact CG-CG 4.35Å; E809-K852 PolarHBondContact N-O 3.48Å; E809-K852 PolarHBondContact O-N 3.45Å; E809-K852 VanDerWaalsContact OE1-CD 3.29Å; E809-K852 WeakPolarHBondContact OE1-CD 3.21Å; E809-K852 WeakPolarHBondContact OE1-CE 3.48Å; E809-K852 IonicContact OE1-NZ 3.88Å; E809-K852 PolarHBondContact OE1-NZ 2.81Å; E809-V855 HydrophobicContact CG-CG2 4.43Å; E809-S860 WeakPolarHBondContact OE2-CA 3.48Å; E809-S860 PolarHBondContact OE2-OG 3.3Å; E809-E861 PolarHBondContact OE2-N 3.41Å; E809-H862 IonicContact OE2-CD2 3.74Å; E809-V886 WeakPolarHBondContact CA-O 3.39Å |
| 810 | C | 94.5 | Very high | 78.3 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L674 L849 I850 M851 S885 V886 | L674-C810 HydrophobicContact CD2-CB 4.27Å; C810-L849 HydrophobicContact CB-CD1 4.12Å; C810-I850 CarbonylContact C-O 3.45Å; C810-I850 WeakPolarHBondContact CA-O 3.43Å; C810-I850 WeakPolarHBondContact CB-O 3.47Å; C810-M851 HydrophobicContact CB-CB 3.96Å; C810-M851 HydrophobicContact CB-CG 4.02Å; C810-S885 WeakPolarHBondContact O-CA 3.32Å; C810-V886 PolarHBondContact N-O 2.94Å; C810-V886 PolarHBondContact O-N 2.8Å |
| 811 | K | 94 | Very high | 75.8 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 14% | 0.139 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 148.4 | 176.3 | 61.8 | -172.3 | 171.4 | -154.6 | 0 | 110.6 | V813 I850 E861 P882 | K811-V813 HydrophobicContact CD-CG1 4.39Å; K811-V813 HydrophobicContact CG-CG1 4.25Å; K811-I850 HydrophobicContact CG-CB 4.11Å; K811-I850 PolarHBondContact N-O 2.96Å; K811-I850 PolarHBondContact O-N 3.48Å; K811-E861 IonicContact NZ-OE2 2.72Å; K811-E861 PolarHBondContact NZ-OE2 2.71Å; K811-P882 HydrophobicContact CD-CG 4.08Å |
| 812 | L | 93.1 | Very high | 73.1 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.2 | 169.2 | -139.1 | 87 | 0 | 0 | 0 | 109.3 | V670 Y671 L696 I730 Y847 S884 | V670-L812 HydrophobicContact CG2-CD2 3.81Å; Y671-L812 HydrophobicContact CD1-CB 4.28Å; Y671-L812 WeakPolarHBondContact CE1-O 3.3Å; L696-L812 HydrophobicContact CD1-CD1 4.32Å; L696-L812 HydrophobicContact CD1-CD2 3.94Å; I730-L812 HydrophobicContact CG2-CD1 3.46Å; I730-L812 VanDerWaalsContact CG2-CD1 3.46Å; L812-Y847 HydrophobicContact CD2-CD1 3.88Å; L812-Y847 HydrophobicContact CD2-CG 4.15Å; L812-S884 WeakPolarHBondContact CB-OG 3.33Å; L812-S884 PolarHBondContact N-OG 3.1Å; L812-S884 PolarHBondContact O-OG 3.3Å |
| 813 | V | 91.3 | Very high | 70.1 | Confident | 46 Ų | 46 | 86.5 Ų | 86.5 | 28% | 0.279 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.4 | 173.9 | -66 | 0 | 0 | 0 | 0 | 110.7 | K811 Y847 E848 I850 | K811-V813 HydrophobicContact CD-CG1 4.39Å; K811-V813 HydrophobicContact CG-CG1 4.25Å; V813-Y847 CarbonylContact O-C 3.52Å; V813-Y847 WeakPolarHBondContact O-CA 3.44Å; V813-E848 HydrophobicContact CG2-CB 4.34Å; V813-E848 WeakPolarHBondContact CG2-O 3.38Å; V813-E848 PolarHBondContact N-O 3.33Å; V813-E848 PolarHBondContact O-N 2.83Å; V813-I850 HydrophobicContact CB-CD1 4.39Å; V813-I850 HydrophobicContact CG1-CD1 3.9Å; V813-I850 HydrophobicContact CG2-CD1 3.59Å; V813-I850 HydrophobicContact CG2-CG1 3.84Å |
| 814 | R | 89.1 | Confident | 67 | Low | 158 Ų | 158 | 93.7 Ų | 93.7 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.2 | 171.5 | -168.2 | 174.8 | 179.9 | -177.6 | -2 | 108.9 | R816 D846 Y847 | R814-R816 PolarHBondContact O-N 3.4Å; R814-D846 CarbonylContact C-O 3.54Å; R814-D846 WeakPolarHBondContact CA-O 3.47Å; R814-Y847 HydrophobicContact CB-CD1 4.25Å; R814-Y847 HydrophobicContact CB-CE1 4.01Å; R814-Y847 HydrophobicContact CG-CE1 4.22Å |
| 815 | R | 83.2 | Confident | 64.1 | Low | 139 Ų | 139 | 94.4 Ų | 94.4 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | trans | -58.5 | 127.9 | 173.7 | -74.7 | -178.4 | 168.7 | 162.7 | -3.2 | 109.4 | S817 K845 D846 E848 | R815-S817 PolarHBondContact O-N 3.35Å; R815-K845 PolarHBondContact NH1-O 3.45Å; R815-D846 PolarHBondContact N-O 3.47Å; R815-E848 HydrophobicContact CG-CB 4.11Å; R815-E848 IonicContact CZ-OE2 3.54Å; R815-E848 IonicContact NE-OE2 3.44Å; R815-E848 PolarHBondContact NE-OE2 2.92Å; R815-E848 IonicContact NH2-OE2 2.7Å; R815-E848 PolarHBondContact NH2-OE2 2.77Å | ||
| 816 | R | 61 | Low | 61.1 | Low | 250 Ų | 250 | 98.9 Ų | 98.9 | 94% | 0.943 | 50% | 0.503 | S | S | * | . | trans | -69.1 | 101.5 | 170.4 | -78.7 | -178.8 | 172.7 | 169.3 | -1.4 | 107.8 | R814 S818 | R814-R816 PolarHBondContact O-N 3.4Å; R816-S818 PolarHBondContact O-N 2.93Å | ||
| 817 | S | 50.8 | Low | 58 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | -58.9 | 126.8 | 168.4 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | R815 R819 | R815-S817 PolarHBondContact O-N 3.35Å; S817-R819 PolarHBondContact O-N 3.47Å | ||
| 818 | S | 32.2 | Very low | 55.1 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 80% | 0.797 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -55.7 | 107.8 | 169.5 | 52 | 0 | 0 | 0 | 0 | 109.4 | R816 | R816-S818 PolarHBondContact O-N 2.93Š|
| 819 | R | 28 | Very low | 52.2 | Low | 243 Ų | 243 | 120.5 Ų | 120.5 | 92% | 0.917 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 36.1 | 99.9 | 160.4 | -68.9 | 179.2 | 172.8 | 169.5 | -2.6 | 116.4 | S817 | S817-R819 PolarHBondContact O-N 3.47Š|
| 820 | S | 28.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -168.7 | 147.8 | 130.1 | 28.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 821 | S | 28.5 | Very low | 46.4 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | trans | -53 | 152.6 | -171.5 | 37 | 0 | 0 | 0 | 0 | 116.1 | E823 | S821-E823 PolarHBondContact O-N 3.37Š| ||
| 822 | D | 29.2 | Very low | 43.9 | Very low | 181 Ų | 181 | 137 Ų | 137 | 97% | 0.968 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -64.4 | 42.8 | 167.5 | -77.8 | -45.4 | 0 | 0 | 0 | 113.8 | ||
| 823 | E | 24.3 | Very low | 41.3 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | -116.1 | 124.7 | 171.9 | -76.8 | -174.8 | 161.6 | 0 | 0 | 111 | S821 | S821-E823 PolarHBondContact O-N 3.37Š| ||
| 824 | E | 24.8 | Very low | 39 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | 69.3 | 94.1 | 163.2 | -63.7 | -168.5 | 137.2 | 0 | 0 | 119.4 | ||||
| 825 | C | 26.7 | Very low | 37.6 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | -103.4 | 69.2 | 154.1 | -155.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 826 | T | 28.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -104.4 | 3.1 | 166 | 40.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 827 | S | 28.1 | Very low | 37.6 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -102.4 | 50.6 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 114 | R829 | S827-R829 PolarHBondContact O-N 2.9Š| ||
| 828 | K | 33.1 | Very low | 39.2 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 14.4 | -177.1 | -89.5 | -175.2 | 178.6 | 175.3 | 0 | 117.2 | ||
| 829 | R | 34 | Very low | 41.9 | Very low | 231 Ų | 231 | 130.1 Ų | 130.1 | 87% | 0.872 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -13.8 | -174 | -93.5 | -177.5 | 172.7 | 176.4 | -2.5 | 117.4 | S827 | S827-R829 PolarHBondContact O-N 2.9Š|
| 830 | Q | 30.1 | Very low | 45.1 | Very low | 170 Ų | 170 | 120.2 Ų | 120.2 | 79% | 0.794 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -103.3 | -16.8 | -174.6 | -83.9 | 178 | -14.8 | 0 | 0 | 115.9 | ||
| 831 | S | 36.4 | Very low | 48.2 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -82.2 | -15 | 179.1 | 70.9 | 0 | 0 | 0 | 0 | 115.1 | I833 | S831-I833 PolarHBondContact O-N 3.3Š|
| 832 | K | 40.5 | Very low | 51.2 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 54% | 0.535 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -30.1 | -175 | -82.5 | -169.8 | 169.6 | -165.9 | 0 | 114.6 | S837 | K832-S837 PolarHBondContact O-OG 2.96Š|
| 833 | I | 38.9 | Very low | 54.1 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 71% | 0.708 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -20.3 | -168 | -61.4 | 175 | 0 | 0 | 0 | 112.6 | S831 | S831-I833 PolarHBondContact O-N 3.3Š|
| 834 | L | 42.8 | Very low | 57.3 | Low | 156 Ų | 156 | 98.8 Ų | 98.8 | 82% | 0.817 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -11 | -171.4 | -85.6 | 154.5 | 0 | 0 | 0 | 115.5 | ||
| 835 | D | 60.3 | Low | 60.2 | Low | 43 Ų | 43 | 96.4 Ų | 96.4 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -15.4 | -173.4 | 136.3 | -56 | 0 | 0 | 0 | 114.2 | P721 S837 I842 K845 | P721-D835 WeakPolarHBondContact CB-O 3.42Å; D835-S837 WeakPolarHBondContact OD1-CA 3.4Å; D835-S837 WeakPolarHBondContact OD1-CB 2.99Å; D835-S837 PolarHBondContact OD1-N 3.37Å; D835-S837 PolarHBondContact OD1-OG 2.69Å; D835-I842 VanDerWaalsContact O-CD1 3.25Å; D835-I842 WeakPolarHBondContact O-CD1 3.48Å; D835-I842 VanDerWaalsContact OD1-CD1 3.24Å; D835-I842 WeakPolarHBondContact OD1-CD1 3.32Å; D835-K845 IonicContact OD2-NZ 3.41Å; D835-K845 PolarHBondContact OD2-NZ 3.01Å |
| 836 | G | 68.9 | Low | 63.2 | Low | 13 Ų | 13 | 95.7 Ų | 95.7 | 13% | 0.134 | 48% | 0.478 | C | S | . | . | trans | 88.7 | 3.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D838 R839 F840 | G836-D838 PolarHBondContact O-N 2.66Å; G836-R839 PolarHBondContact O-N 3.32Å; G836-F840 PolarHBondContact O-N 3.42Å | ||
| 837 | S | 74.6 | Confident | 66.2 | Low | 28 Ų | 28 | 92 Ų | 92 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20 | -177.8 | 57.8 | 0 | 0 | 0 | 0 | 116.6 | R708 K832 D835 | R708-S837 WeakPolarHBondContact CD-O 3.43Å; R708-S837 PolarHBondContact NH1-O 3.36Å; R708-S837 VanDerWaalsContact NH1-O 3.15Å; K832-S837 PolarHBondContact O-OG 2.96Å; D835-S837 WeakPolarHBondContact OD1-CA 3.4Å; D835-S837 WeakPolarHBondContact OD1-CB 2.99Å; D835-S837 PolarHBondContact OD1-N 3.37Å; D835-S837 PolarHBondContact OD1-OG 2.69Å |
| 838 | D | 84 | Confident | 69.2 | Low | 101 Ų | 101 | 91.8 Ų | 91.8 | 54% | 0.54 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.7 | 174.8 | -65.3 | -28 | 0 | 0 | 0 | 112.6 | R708 G836 | R708-D838 WeakPolarHBondContact CG-O 3.31Å; G836-D838 PolarHBondContact O-N 2.66Å |
| 839 | R | 90.3 | Very high | 72.1 | Confident | 192 Ų | 192 | 85.2 Ų | 85.2 | 73% | 0.725 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -30.7 | -178.9 | -77.7 | -172.5 | -98.2 | -179.8 | -6.9 | 113.7 | R708 L709 G836 | R708-R839 CarbonylContact C-O 3.49Å; R708-R839 WeakPolarHBondContact CA-O 3.46Å; R708-R839 WeakPolarHBondContact CB-O 3.44Å; L709-R839 PolarHBondContact N-O 2.89Å; G836-R839 PolarHBondContact O-N 3.32Å |
| 840 | F | 94.2 | Very high | 75 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.8 | -174.6 | -60.7 | -77.9 | 0 | 0 | 0 | 112.1 | L709 G722 G836 I842 | L709-F840 HydrophobicContact CB-CD1 3.96Å; L709-F840 HydrophobicContact CB-CE1 4.15Å; L709-F840 HydrophobicContact CD1-CE1 4.45Å; L709-F840 CarbonylContact O-C 3.58Å; L709-F840 VanDerWaalsContact O-CA 3.27Å; L709-F840 WeakPolarHBondContact O-CA 3.21Å; G722-F840 VanDerWaalsContact CA-CG 3.41Å; G836-F840 PolarHBondContact O-N 3.42Å; F840-I842 HydrophobicContact CB-CD1 4.25Å; F840-I842 HydrophobicContact CB-CG1 4.05Å; F840-I842 PolarHBondContact O-N 3.01Å |
| 841 | I | 94.1 | Very high | 78.1 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 108 | 171.9 | -62.2 | 172.7 | 0 | 0 | 0 | 107.9 | L153 V697 Y699 I701 E706 R708 L709 Y710 C711 | L153-I841 HydrophobicContact CD1-CD1 3.77Å; V697-I841 HydrophobicContact CG1-CG2 4.07Å; V697-I841 HydrophobicContact CG2-CG2 3.71Å; Y699-I841 HydrophobicContact CE2-CG2 4.36Å; I701-I841 HydrophobicContact CD1-CD1 4.41Å; I701-I841 HydrophobicContact CD1-CG2 3.9Å; I701-I841 HydrophobicContact CG1-CD1 4.4Å; I701-I841 HydrophobicContact CG1-CG2 4.27Å; I701-I841 HydrophobicContact CG2-CD1 4.11Å; E706-I841 HydrophobicContact CG-CD1 3.92Å; E706-I841 HydrophobicContact CG-CG1 4.48Å; R708-I841 HydrophobicContact CB-CG1 3.81Å; R708-I841 WeakPolarHBondContact O-CD1 3.32Å; L709-I841 PolarHBondContact O-N 3.22Å; Y710-I841 HydrophobicContact CD1-CB 4.46Å; Y710-I841 HydrophobicContact CD1-CD1 3.88Å; Y710-I841 HydrophobicContact CE1-CD1 3.81Å; C711-I841 PolarHBondContact SG-O 3.41Å; C711-I841 VanDerWaalsContact SG-O 3.36Å |
| 842 | I | 90.7 | Very high | 80.8 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | trans | -120.7 | 137.4 | -175.1 | -56.9 | 171.2 | 0 | 0 | 0 | 108.9 | Y699 D835 F840 | Y699-I842 PolarHBondContact OH-N 3.47Å; Y699-I842 PolarHBondContact OH-O 3.46Å; D835-I842 VanDerWaalsContact O-CD1 3.25Å; D835-I842 WeakPolarHBondContact O-CD1 3.48Å; D835-I842 VanDerWaalsContact OD1-CD1 3.24Å; D835-I842 WeakPolarHBondContact OD1-CD1 3.32Å; F840-I842 HydrophobicContact CB-CD1 4.25Å; F840-I842 HydrophobicContact CB-CG1 4.05Å; F840-I842 PolarHBondContact O-N 3.01Å | ||
| 843 | G | 91.1 | Very high | 83.2 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | trans | -94.1 | -174.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E695 L696 K845 | E695-G843 WeakPolarHBondContact O-CA 3.35Å; L696-G843 WeakPolarHBondContact O-CA 3.14Å; G843-K845 PolarHBondContact O-N 3.18Å | ||
| 844 | L | 91.1 | Very high | 85.7 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | trans | -70.3 | 126.7 | -174.5 | -65.3 | 169.2 | 0 | 0 | 0 | 112.1 | I665 V670 L696 P698 Y847 | I665-L844 HydrophobicContact CD1-CD1 4.03Å; V670-L844 HydrophobicContact CG2-CD1 4Å; L696-L844 HydrophobicContact CB-CB 4.43Å; L696-L844 PolarHBondContact O-N 3.17Å; P698-L844 HydrophobicContact CB-CD1 4.26Å; P698-L844 HydrophobicContact CB-CD2 3.97Å; P698-L844 HydrophobicContact CB-CG 4.05Å; P698-L844 HydrophobicContact CG-CD2 3.87Å; P698-L844 HydrophobicContact CG-CG 4.11Å; L844-Y847 HydrophobicContact CB-CD2 3.85Å; L844-Y847 HydrophobicContact CB-CE2 4.37Å; L844-Y847 HydrophobicContact CD1-CD2 3.96Å; L844-Y847 HydrophobicContact CD1-CE2 3.81Å; L844-Y847 HydrophobicContact CG-CD2 4.49Å | ||
| 845 | K | 86 | Confident | 88 | Confident | 116 Ų | 116 | 58.8 Ų | 58.8 | 50% | 0.504 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -93.1 | -13 | 178.3 | -68.8 | 176.1 | 175.8 | 163.3 | 0 | 114.4 | R815 D835 G843 Y847 | R815-K845 PolarHBondContact NH1-O 3.45Å; D835-K845 IonicContact OD2-NZ 3.41Å; D835-K845 PolarHBondContact OD2-NZ 3.01Å; G843-K845 PolarHBondContact O-N 3.18Å; K845-Y847 PolarHBondContact O-N 2.97Å |
| 846 | D | 88.8 | Confident | 89.4 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -81.7 | -3.6 | -177.2 | -60.8 | -13.7 | 0 | 0 | 0 | 112.7 | R814 R815 | R814-D846 CarbonylContact C-O 3.54Å; R814-D846 WeakPolarHBondContact CA-O 3.47Å; R815-D846 PolarHBondContact N-O 3.47Å |
| 847 | Y | 91.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.8 | 179.5 | -65.4 | -91.8 | 0 | 0 | 0 | 110.2 | V670 Y671 L812 V813 R814 L844 K845 | V670-Y847 HydrophobicContact CG1-CD1 4.08Å; V670-Y847 HydrophobicContact CG1-CE1 3.43Å; V670-Y847 VanDerWaalsContact CG1-CE1 3.43Å; V670-Y847 HydrophobicContact CG1-CE2 4.29Å; V670-Y847 HydrophobicContact CG2-CD1 4.31Å; V670-Y847 HydrophobicContact CG2-CD2 4.27Å; V670-Y847 HydrophobicContact CG2-CE1 4.38Å; V670-Y847 HydrophobicContact CG2-CE2 4.35Å; V670-Y847 HydrophobicContact CG2-CG 4.25Å; Y671-Y847 HydrophobicContact CE2-CE1 4.18Å; Y671-Y847 AromaticContact CZ-CE1 3.93Å; L812-Y847 HydrophobicContact CD2-CD1 3.88Å; L812-Y847 HydrophobicContact CD2-CG 4.15Å; V813-Y847 CarbonylContact O-C 3.52Å; V813-Y847 WeakPolarHBondContact O-CA 3.44Å; R814-Y847 HydrophobicContact CB-CD1 4.25Å; R814-Y847 HydrophobicContact CB-CE1 4.01Å; R814-Y847 HydrophobicContact CG-CE1 4.22Å; L844-Y847 HydrophobicContact CB-CD2 3.85Å; L844-Y847 HydrophobicContact CB-CE2 4.37Å; L844-Y847 HydrophobicContact CD1-CD2 3.96Å; L844-Y847 HydrophobicContact CD1-CE2 3.81Å; L844-Y847 HydrophobicContact CG-CD2 4.49Å; K845-Y847 PolarHBondContact O-N 2.97Å |
| 848 | E | 92.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 68.1 Ų | 68.1 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.6 | -179.3 | -177 | 168.5 | 158.9 | 0 | 0 | 109.3 | V813 R815 | V813-E848 HydrophobicContact CG2-CB 4.34Å; V813-E848 WeakPolarHBondContact CG2-O 3.38Å; V813-E848 PolarHBondContact N-O 3.33Å; V813-E848 PolarHBondContact O-N 2.83Å; R815-E848 HydrophobicContact CG-CB 4.11Å; R815-E848 IonicContact CZ-OE2 3.54Å; R815-E848 IonicContact NE-OE2 3.44Å; R815-E848 PolarHBondContact NE-OE2 2.92Å; R815-E848 IonicContact NH2-OE2 2.7Å; R815-E848 PolarHBondContact NH2-OE2 2.77Å |
| 849 | L | 94.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 68.4 Ų | 68.4 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.4 | 171.8 | 176.3 | 72.5 | 0 | 0 | 0 | 108.8 | L674 R732 A733 C810 M851 | L674-L849 HydrophobicContact CD1-CD1 4.42Å; L674-L849 HydrophobicContact CD2-CD1 3.81Å; R732-L849 HydrophobicContact CB-CD2 4.1Å; A733-L849 HydrophobicContact CB-CD1 4.28Å; A733-L849 HydrophobicContact CB-CD2 3.7Å; C810-L849 HydrophobicContact CB-CD1 4.12Å; L849-M851 HydrophobicContact CD2-CB 4.26Å; L849-M851 HydrophobicContact CD2-SD 4.29Å; L849-M851 HydrophobicContact CG-CB 4.18Å |
| 850 | I | 94.8 | Very high | 90.7 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.1 | 163.2 | -62.8 | 173.7 | 0 | 0 | 0 | 106.7 | C810 K811 V813 | C810-I850 CarbonylContact C-O 3.45Å; C810-I850 WeakPolarHBondContact CA-O 3.43Å; C810-I850 WeakPolarHBondContact CB-O 3.47Å; K811-I850 HydrophobicContact CG-CB 4.11Å; K811-I850 PolarHBondContact N-O 2.96Å; K811-I850 PolarHBondContact O-N 3.48Å; V813-I850 HydrophobicContact CB-CD1 4.39Å; V813-I850 HydrophobicContact CG1-CD1 3.9Å; V813-I850 HydrophobicContact CG2-CD1 3.59Å; V813-I850 HydrophobicContact CG2-CG1 3.84Å |
| 851 | M | 93.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 62.9 Ų | 62.9 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.5 | -179.2 | 179.1 | 170.4 | -175.1 | 0 | 0 | 110.1 | R732 A733 T736 F808 E809 C810 L849 E853 | R732-M851 HydrophobicContact CG-SD 4.3Å; A733-M851 HydrophobicContact CB-SD 4.29Å; T736-M851 HydrophobicContact CG2-CE 3.55Å; T736-M851 WeakPolarHBondContact OG1-CE 3.42Å; F808-M851 HydrophobicContact CB-CE 3.89Å; F808-M851 HydrophobicContact CD2-CE 4.45Å; F808-M851 HydrophobicContact CG-CE 4.09Å; E809-M851 WeakPolarHBondContact O-CA 3.32Å; C810-M851 HydrophobicContact CB-CB 3.96Å; C810-M851 HydrophobicContact CB-CG 4.02Å; L849-M851 HydrophobicContact CD2-CB 4.26Å; L849-M851 HydrophobicContact CD2-SD 4.29Å; L849-M851 HydrophobicContact CG-CB 4.18Å; M851-E853 HydrophobicContact CE-CG 3.66Å; M851-E853 HydrophobicContact CG-CG 4.36Å |
| 852 | K | 94.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.1 | 168.4 | -55 | -178.6 | -163.1 | 148.1 | 0 | 108.1 | F808 E809 V855 E861 | F808-K852 CarbonylContact C-O 3.44Å; F808-K852 WeakPolarHBondContact CA-O 3.47Å; F808-K852 VanDerWaalsContact CB-O 3.29Å; F808-K852 WeakPolarHBondContact CB-O 3.33Å; E809-K852 HydrophobicContact CG-CB 3.96Å; E809-K852 HydrophobicContact CG-CD 4.31Å; E809-K852 HydrophobicContact CG-CG 4.35Å; E809-K852 PolarHBondContact N-O 3.48Å; E809-K852 PolarHBondContact O-N 3.45Å; E809-K852 VanDerWaalsContact OE1-CD 3.29Å; E809-K852 WeakPolarHBondContact OE1-CD 3.21Å; E809-K852 WeakPolarHBondContact OE1-CE 3.48Å; E809-K852 IonicContact OE1-NZ 3.88Å; E809-K852 PolarHBondContact OE1-NZ 2.81Å; K852-V855 HydrophobicContact CB-CG2 3.41Å; K852-V855 VanDerWaalsContact CB-CG2 3.41Å; K852-V855 HydrophobicContact CD-CG2 4.35Å; K852-E861 IonicContact NZ-OE1 3.65Å; K852-E861 PolarHBondContact NZ-OE1 2.99Å |
| 853 | E | 91.5 | Very high | 89.7 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.7 | -178.6 | -66 | 169.8 | -120.3 | 0 | 0 | 107.7 | R732 L807 F808 M851 V855 | R732-E853 IonicContact CZ-OE1 3.85Å; R732-E853 IonicContact NE-OE1 3.12Å; R732-E853 IonicContact NH2-OE1 2.71Å; R732-E853 PolarHBondContact NH2-OE1 2.78Å; L807-E853 WeakPolarHBondContact O-CA 3.36Å; F808-E853 HydrophobicContact CB-CG 4.29Å; M851-E853 HydrophobicContact CE-CG 3.66Å; M851-E853 HydrophobicContact CG-CG 4.36Å; E853-V855 PolarHBondContact O-N 2.78Å |
| 854 | D | 91.5 | Very high | 89.4 | Confident | 117 Ų | 117 | 66.9 Ų | 66.9 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 53.3 | 179.1 | -59 | -44.7 | 0 | 0 | 0 | 114.1 | I806 L807 | I806-D854 CarbonylContact O-C 3.53Å; I806-D854 WeakPolarHBondContact O-CA 3.34Å; I806-D854 PolarHBondContact O-N 2.96Å; L807-D854 PolarHBondContact O-N 3Å |
| 855 | V | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.9 | -174.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | T805 I806 E809 K852 E853 E859 | T805-V855 PolarHBondContact OG1-O 3.33Å; I806-V855 HydrophobicContact CB-CB 4.12Å; I806-V855 VanDerWaalsContact CB-O 3.3Å; I806-V855 WeakPolarHBondContact CB-O 3.02Å; I806-V855 HydrophobicContact CD1-CB 4.42Å; I806-V855 HydrophobicContact CD1-CG1 4.38Å; I806-V855 PolarHBondContact N-O 3.22Å; I806-V855 PolarHBondContact O-N 3.22Å; E809-V855 HydrophobicContact CG-CG2 4.43Å; K852-V855 HydrophobicContact CB-CG2 3.41Å; K852-V855 VanDerWaalsContact CB-CG2 3.41Å; K852-V855 HydrophobicContact CD-CG2 4.35Å; E853-V855 PolarHBondContact O-N 2.78Å; V855-E859 HydrophobicContact CG1-CB 3.72Å |
| 856 | M | 88.5 | Confident | 88.9 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | trans | -74 | 147.5 | 173.5 | -66.2 | -68.8 | 169.4 | 0 | 0 | 110.9 | F858 E859 S860 | M856-F858 HydrophobicContact CB-CD1 3.88Å; M856-F858 HydrophobicContact CB-CE1 3.41Å; M856-F858 VanDerWaalsContact CB-CE1 3.41Å; M856-F858 HydrophobicContact CB-CE2 4.36Å; M856-F858 HydrophobicContact CB-CZ 3.67Å; M856-F858 HydrophobicContact CG-CE1 3.96Å; M856-F858 HydrophobicContact CG-CZ 4.06Å; M856-F858 PolarHBondContact O-N 2.9Å; M856-E859 HydrophobicContact CB-CG 4.08Å; M856-E859 WeakPolarHBondContact CB-OE2 3.49Å; M856-E859 PolarHBondContact N-OE2 2.92Å; M856-E859 WeakPolarHBondContact O-CB 3.37Å; M856-E859 PolarHBondContact O-N 2.96Å; M856-S860 PolarHBondContact O-N 3.42Å | ||
| 857 | P | 83.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -54.4 | -35 | -175.6 | -29 | 35.8 | 0 | 0 | 0 | 115.1 | L803 E859 S860 V866 | L803-P857 HydrophobicContact CD2-CB 3.88Å; L803-P857 HydrophobicContact CD2-CG 3.61Å; L803-P857 HydrophobicContact CG-CG 3.84Å; P857-E859 VanDerWaalsContact C-N 3.28Å; P857-E859 PolarHBondContact O-N 2.8Å; P857-S860 PolarHBondContact O-N 3.15Å; P857-V866 HydrophobicContact CB-CG2 4.15Å |
| 858 | F | 85.3 | Confident | 88 | Confident | 168 Ų | 168 | 66.8 Ų | 66.8 | 74% | 0.737 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -77.1 | -10.3 | 178.6 | 62.8 | -95.2 | 0 | 0 | 0 | 114.2 | M856 | M856-F858 HydrophobicContact CB-CD1 3.88Å; M856-F858 HydrophobicContact CB-CE1 3.41Å; M856-F858 VanDerWaalsContact CB-CE1 3.41Å; M856-F858 HydrophobicContact CB-CE2 4.36Å; M856-F858 HydrophobicContact CB-CZ 3.67Å; M856-F858 HydrophobicContact CG-CE1 3.96Å; M856-F858 HydrophobicContact CG-CZ 4.06Å; M856-F858 PolarHBondContact O-N 2.9Å |
| 859 | E | 87.9 | Confident | 87 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -96.4 | -8.7 | 177.1 | -59.1 | 178.9 | 138.7 | 0 | 0 | 112.3 | V855 M856 P857 | V855-E859 HydrophobicContact CG1-CB 3.72Å; M856-E859 HydrophobicContact CB-CG 4.08Å; M856-E859 WeakPolarHBondContact CB-OE2 3.49Å; M856-E859 PolarHBondContact N-OE2 2.92Å; M856-E859 WeakPolarHBondContact O-CB 3.37Å; M856-E859 PolarHBondContact O-N 2.96Å; P857-E859 VanDerWaalsContact C-N 3.28Å; P857-E859 PolarHBondContact O-N 2.8Å |
| 860 | S | 88.7 | Confident | 85.6 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | trans | -70.3 | 139 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | I806 E809 M856 P857 H862 I863 | I806-S860 VanDerWaalsContact CD1-CB 3.47Å; E809-S860 WeakPolarHBondContact OE2-CA 3.48Å; E809-S860 PolarHBondContact OE2-OG 3.3Å; M856-S860 PolarHBondContact O-N 3.42Å; P857-S860 PolarHBondContact O-N 3.15Å; S860-H862 PolarHBondContact O-N 3.13Å; S860-H862 PolarHBondContact OG-N 2.58Å; S860-H862 VanDerWaalsContact OG-N 3.12Å; S860-I863 PolarHBondContact OG-N 3Å | ||
| 861 | E | 83.9 | Confident | 84 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -74.8 | -16 | 171.4 | -71.6 | 172.2 | -155.1 | 0 | 0 | 112.4 | E809 K811 K852 | E809-E861 PolarHBondContact OE2-N 3.41Å; K811-E861 IonicContact NZ-OE2 2.72Å; K811-E861 PolarHBondContact NZ-OE2 2.71Å; K852-E861 IonicContact NZ-OE1 3.65Å; K852-E861 PolarHBondContact NZ-OE1 2.99Å |
| 862 | H | 87.1 | Confident | 82.9 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.028 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -111.8 | -16.5 | -168.1 | -61.8 | -54.6 | 0 | 0 | 0 | 114.1 | E809 S860 L878 N879 L881 P882 I887 | E809-H862 IonicContact OE2-CD2 3.74Å; S860-H862 PolarHBondContact O-N 3.13Å; S860-H862 PolarHBondContact OG-N 2.58Å; S860-H862 VanDerWaalsContact OG-N 3.12Å; H862-L878 CarbonylContact O-C 3.57Å; H862-L878 WeakPolarHBondContact O-CA 3.34Å; H862-N879 PolarHBondContact O-N 3.02Å; H862-L881 HydrophobicContact CB-CD2 4.02Å; H862-P882 VanDerWaalsContact CE1-CD 3.45Å; H862-P882 WeakPolarHBondContact CE1-CD 3.25Å; H862-I887 HydrophobicContact CB-CD1 3.36Å; H862-I887 HydrophobicContact CB-CG1 4.39Å |
| 863 | I | 86.7 | Confident | 82.1 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.2 | 175.7 | -59.2 | -178.6 | 0 | 0 | 0 | 108.6 | L803 I806 S860 V866 L876 L878 L889 | L803-I863 HydrophobicContact CD2-CD1 4.24Å; I806-I863 HydrophobicContact CD1-CD1 3.59Å; I806-I863 HydrophobicContact CD1-CG1 4.47Å; I806-I863 HydrophobicContact CG1-CD1 4.12Å; S860-I863 PolarHBondContact OG-N 3Å; I863-V866 HydrophobicContact CG2-CG2 3.63Å; I863-L876 HydrophobicContact CD1-CD1 4.25Å; I863-L876 HydrophobicContact CG2-CD1 4.09Å; I863-L878 HydrophobicContact CG1-CD2 4.04Å; I863-L889 HydrophobicContact CD1-CD2 4.28Å |
| 864 | E | 85.7 | Confident | 81.8 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -49.9 | 177.5 | -174.7 | 177 | -177.9 | 0 | 0 | 111.2 | E877 | E864-E877 HydrophobicContact CB-CB 4.38Å; E864-E877 HydrophobicContact CB-CG 4.1Å; E864-E877 PolarHBondContact N-O 3.36Å; E864-E877 WeakPolarHBondContact OE2-CG 3.36Å |
| 865 | S | 84.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.1 | 177.4 | 80.4 | 0 | 0 | 0 | 0 | 112.9 | E877 | S865-E877 PolarHBondContact N-O 2.88Å; S865-E877 PolarHBondContact O-N 2.95Å; S865-E877 PolarHBondContact OG-OE2 3.3Å; S865-E877 VanDerWaalsContact OG-OE2 3.11Å |
| 866 | V | 83 | Confident | 81.6 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 35% | 0.352 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.2 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 107 | L803 P857 I863 T874 L876 | L803-V866 HydrophobicContact CD2-CG1 4.49Å; L803-V866 HydrophobicContact CD2-CG2 4.17Å; P857-V866 HydrophobicContact CB-CG2 4.15Å; I863-V866 HydrophobicContact CG2-CG2 3.63Å; V866-T874 HydrophobicContact CG1-CG2 3.27Å; V866-L876 HydrophobicContact CG2-CD1 4.06Å |
| 867 | K | 83.7 | Confident | 81.7 | Confident | 120 Ų | 120 | 64.9 Ų | 64.9 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 118.5 | -177.3 | -67.7 | 176.7 | -173.5 | 162.8 | 0 | 110.9 | T874 E875 | K867-T874 CarbonylContact O-C 3.6Å; K867-T874 WeakPolarHBondContact O-CA 3.35Å; K867-E875 PolarHBondContact N-O 3.48Å; K867-E875 PolarHBondContact O-N 3.18Å |
| 868 | S | 76.3 | Confident | 82 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.4 | 171.7 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | L873 T874 | S868-L873 CarbonylContact C-O 3.52Å; S868-L873 WeakPolarHBondContact CA-O 3.43Å; S868-T874 PolarHBondContact OG-OG1 2.88Å; S868-T874 VanDerWaalsContact OG-OG1 3.06Å |
| 869 | N | 71.7 | Confident | 81.9 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | trans | -99.3 | 171.8 | 177 | 75.2 | 18.8 | 0 | 0 | 0 | 111.9 | Q871 Q872 L873 | N869-Q871 PolarHBondContact O-N 2.81Å; N869-Q871 WeakPolarHBondContact OD1-CA 3.31Å; N869-Q871 WeakPolarHBondContact OD1-CB 3.41Å; N869-Q871 PolarHBondContact OD1-N 2.84Å; N869-Q872 PolarHBondContact O-N 2.79Å; N869-Q872 VanDerWaalsContact O-N 3.14Å; N869-Q872 PolarHBondContact OD1-N 3.3Å; N869-L873 PolarHBondContact N-O 3.19Å; N869-L873 PolarHBondContact OD1-N 2.81Å; N869-L873 PolarHBondContact OD1-O 2.9Å | ||
| 870 | A | 64.9 | Low | 81.6 | Confident | 110 Ų | 110 | 57 Ų | 57 | 91% | 0.909 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q872 | A870-Q872 VanDerWaalsContact C-N 3.27Š|
| 871 | Q | 62.3 | Low | 81.6 | Confident | 154 Ų | 154 | 56.4 Ų | 56.4 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 12.9 | 177.2 | -64.8 | -177.2 | -11.9 | 0 | 0 | 112.7 | N869 L873 | N869-Q871 PolarHBondContact O-N 2.81Å; N869-Q871 WeakPolarHBondContact OD1-CA 3.31Å; N869-Q871 WeakPolarHBondContact OD1-CB 3.41Å; N869-Q871 PolarHBondContact OD1-N 2.84Å; Q871-L873 PolarHBondContact O-N 2.9Å |
| 872 | Q | 69.7 | Low | 81.9 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 63.2 | 23 | -179.2 | -49.1 | 176.8 | 1.9 | 0 | 0 | 113.7 | N869 A870 S894 S897 | N869-Q872 PolarHBondContact O-N 2.79Å; N869-Q872 VanDerWaalsContact O-N 3.14Å; N869-Q872 PolarHBondContact OD1-N 3.3Å; A870-Q872 VanDerWaalsContact C-N 3.27Å; Q872-S894 PolarHBondContact OE1-OG 3.49Å; Q872-S897 PolarHBondContact OE1-OG 2.67Å |
| 873 | L | 77.7 | Confident | 82 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 142.6 | 168.7 | -56.5 | 169.5 | 0 | 0 | 0 | 109 | D798 L799 A800 S868 N869 Q871 | D798-L873 HydrophobicContact CB-CB 4.24Å; D798-L873 HydrophobicContact CB-CD1 4.36Å; L799-L873 WeakPolarHBondContact O-CA 3.41Å; A800-L873 HydrophobicContact CB-CD2 3.99Å; S868-L873 CarbonylContact C-O 3.52Å; S868-L873 WeakPolarHBondContact CA-O 3.43Å; N869-L873 PolarHBondContact N-O 3.19Å; N869-L873 PolarHBondContact OD1-N 2.81Å; N869-L873 PolarHBondContact OD1-O 2.9Å; Q871-L873 PolarHBondContact O-N 2.9Å |
| 874 | T | 84.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.7 | 172.7 | -70 | 0 | 0 | 0 | 0 | 109 | L799 G801 V866 K867 S868 | L799-T874 WeakPolarHBondContact CB-O 3.42Å; L799-T874 PolarHBondContact N-O 2.81Å; L799-T874 PolarHBondContact O-N 3.28Å; G801-T874 VanDerWaalsContact O-CB 3.28Å; G801-T874 WeakPolarHBondContact O-CB 3.4Å; G801-T874 PolarHBondContact O-OG1 3.38Å; V866-T874 HydrophobicContact CG1-CG2 3.27Å; K867-T874 CarbonylContact O-C 3.6Å; K867-T874 WeakPolarHBondContact O-CA 3.35Å; S868-T874 PolarHBondContact OG-OG1 2.88Å; S868-T874 VanDerWaalsContact OG-OG1 3.06Å |
| 875 | E | 88.9 | Confident | 82.8 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.8 | 173.1 | -173.9 | -176.8 | 111.8 | 0 | 0 | 109.1 | K796 K867 | K796-E875 HydrophobicContact CB-CG 4.38Å; K796-E875 HydrophobicContact CD-CG 4.45Å; K796-E875 WeakPolarHBondContact CD-OE1 3.4Å; K796-E875 IonicContact NZ-OE1 3.73Å; K867-E875 PolarHBondContact N-O 3.48Å; K867-E875 PolarHBondContact O-N 3.18Å |
| 876 | L | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.7 | 177 | -163.9 | 82.2 | 0 | 0 | 0 | 110.2 | K796 F797 L799 L803 I863 V866 L878 L889 | K796-L876 WeakPolarHBondContact CA-O 3.49Å; F797-L876 HydrophobicContact CE1-CD2 4.13Å; F797-L876 HydrophobicContact CE2-CD2 3.99Å; F797-L876 HydrophobicContact CZ-CD2 3.54Å; F797-L876 PolarHBondContact N-O 2.91Å; F797-L876 PolarHBondContact O-N 3.22Å; L799-L876 HydrophobicContact CD1-CB 4.36Å; L799-L876 HydrophobicContact CD1-CD1 4.21Å; L799-L876 HydrophobicContact CG-CB 4.34Å; L803-L876 HydrophobicContact CD2-CD1 4.23Å; I863-L876 HydrophobicContact CD1-CD1 4.25Å; I863-L876 HydrophobicContact CG2-CD1 4.09Å; V866-L876 HydrophobicContact CG2-CD1 4.06Å; L876-L878 HydrophobicContact CD2-CD2 3.71Å; L876-L878 HydrophobicContact CD2-CG 4.18Å; L876-L878 HydrophobicContact CG-CD2 4.18Å; L876-L889 HydrophobicContact CD2-CD1 4Å |
| 877 | E | 90.5 | Very high | 83.9 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.5 | 171.4 | -172.8 | 169.1 | -147.3 | 0 | 0 | 109.4 | K796 E864 S865 | K796-E877 HydrophobicContact CD-CB 4.47Å; K796-E877 HydrophobicContact CD-CG 4.41Å; K796-E877 WeakPolarHBondContact CE-OE1 3.45Å; K796-E877 HydrophobicContact CG-CB 4.4Å; K796-E877 HydrophobicContact CG-CG 4.29Å; K796-E877 IonicContact NZ-OE1 3.1Å; K796-E877 PolarHBondContact NZ-OE1 3.3Å; K796-E877 IonicContact NZ-OE2 2.64Å; K796-E877 PolarHBondContact NZ-OE2 3.38Å; E864-E877 HydrophobicContact CB-CB 4.38Å; E864-E877 HydrophobicContact CB-CG 4.1Å; E864-E877 PolarHBondContact N-O 3.36Å; E864-E877 WeakPolarHBondContact OE2-CG 3.36Å; S865-E877 PolarHBondContact N-O 2.88Å; S865-E877 PolarHBondContact O-N 2.95Å; S865-E877 PolarHBondContact OG-OE2 3.3Å; S865-E877 VanDerWaalsContact OG-OE2 3.11Å |
| 878 | L | 88.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.9 | -177.2 | -62.8 | 177.7 | 0 | 0 | 0 | 110.6 | V778 V794 F797 H862 I863 L876 L881 I887 | V778-L878 HydrophobicContact CG1-CD1 3.86Å; V794-L878 HydrophobicContact CB-CD1 4.47Å; V794-L878 HydrophobicContact CG1-CD1 4.18Å; F797-L878 HydrophobicContact CE1-CD1 3.81Å; F797-L878 HydrophobicContact CE1-CG 4.38Å; F797-L878 HydrophobicContact CZ-CD1 4.28Å; H862-L878 CarbonylContact O-C 3.57Å; H862-L878 WeakPolarHBondContact O-CA 3.34Å; I863-L878 HydrophobicContact CG1-CD2 4.04Å; L876-L878 HydrophobicContact CD2-CD2 3.71Å; L876-L878 HydrophobicContact CD2-CG 4.18Å; L876-L878 HydrophobicContact CG-CD2 4.18Å; L878-L881 HydrophobicContact CD1-CD1 3.87Å; L878-I887 HydrophobicContact CD2-CD1 4.47Å |
| 879 | N | 84.5 | Confident | 85.4 | Confident | 64 Ų | 64 | 34.4 Ų | 34.4 | 34% | 0.342 | 19% | 0.192 | S | C | . | . | trans | -68.1 | 178.7 | 164.8 | -77.6 | -42.7 | 0 | 0 | 0 | 110.9 | H862 L881 | H862-N879 PolarHBondContact O-N 3.02Å; N879-L881 PolarHBondContact O-N 3.31Å | ||
| 880 | D | 82.2 | Confident | 86.5 | Confident | 62 Ų | 62 | 31.8 Ų | 31.8 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | trans | -55.6 | 113.7 | 172.6 | -172 | 35.8 | 0 | 0 | 0 | 110.8 | K791 V792 P882 | K791-D880 WeakPolarHBondContact CD-OD2 3.29Å; K791-D880 WeakPolarHBondContact CE-OD2 3.06Å; K791-D880 WeakPolarHBondContact CG-OD2 3.24Å; K791-D880 IonicContact NZ-OD2 3.46Å; V792-D880 PolarHBondContact N-OD1 3.41Å; D880-P882 VanDerWaalsContact O-CD 3.28Å; D880-P882 WeakPolarHBondContact O-CD 3.39Å | ||
| 881 | L | 88.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -86.9 | 108.5 | 175.3 | -81 | 166.1 | 0 | 0 | 0 | 108.2 | V778 R780 V794 H862 L878 N879 I887 | V778-L881 HydrophobicContact CG1-CD1 4.13Å; R780-L881 WeakPolarHBondContact CD-O 3.49Å; R780-L881 PolarHBondContact NE-O 3.22Å; R780-L881 PolarHBondContact NH1-O 2.98Å; V794-L881 HydrophobicContact CG2-CD1 3.9Å; H862-L881 HydrophobicContact CB-CD2 4.02Å; L878-L881 HydrophobicContact CD1-CD1 3.87Å; N879-L881 PolarHBondContact O-N 3.31Å; L881-I887 HydrophobicContact CD2-CD1 3.68Å; L881-I887 HydrophobicContact CD2-CG1 4.33Å | ||
| 882 | P | 89.4 | Confident | 89.1 | Confident | 41 Ų | 41 | 20 Ų | 20 | 27% | 0.266 | 11% | 0.106 | S | C | . | . | trans | -64.3 | 158.7 | 175.6 | 25 | -32.3 | 0 | 0 | 0 | 112.6 | R780 K811 H862 D880 S884 S885 | R780-P882 WeakPolarHBondContact CD-O 3.32Å; K811-P882 HydrophobicContact CD-CG 4.08Å; H862-P882 VanDerWaalsContact CE1-CD 3.45Å; H862-P882 WeakPolarHBondContact CE1-CD 3.25Å; D880-P882 VanDerWaalsContact O-CD 3.28Å; D880-P882 WeakPolarHBondContact O-CD 3.39Å; P882-S884 PolarHBondContact O-N 2.85Å; P882-S885 WeakPolarHBondContact CD-OG 3.29Å; P882-S885 VanDerWaalsContact CG-OG 3.32Å; P882-S885 WeakPolarHBondContact CG-OG 3.29Å; P882-S885 WeakPolarHBondContact O-CB 3.41Å; P882-S885 PolarHBondContact O-N 3.07Å; P882-S885 VanDerWaalsContact O-N 3.07Å; P882-S885 PolarHBondContact O-OG 2.79Å; P882-S885 VanDerWaalsContact O-OG 3.12Å | ||
| 883 | P | 90 | Very high | 90 | Very high | 18 Ų | 18 | 17 Ų | 17 | 12% | 0.117 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 143.5 | 177.3 | -16.9 | 26.3 | 0 | 0 | 0 | 110.7 | Y671 C782 M788 S885 | Y671-P883 HydrophobicContact CG-CB 4.33Å; C782-P883 HydrophobicContact CB-CB 4.33Å; M788-P883 VanDerWaalsContact O-CG 3.22Å; M788-P883 WeakPolarHBondContact O-CG 3.06Å; P883-S885 VanDerWaalsContact C-N 3.28Å; P883-S885 PolarHBondContact O-N 3.47Å |
| 884 | S | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -0.1 | -172.3 | 79.2 | 0 | 0 | 0 | 0 | 116.7 | Y671 R780 L812 P882 V886 | Y671-S884 VanDerWaalsContact O-CA 3.29Å; Y671-S884 WeakPolarHBondContact O-CA 3.25Å; Y671-S884 WeakPolarHBondContact O-CB 3.49Å; R780-S884 PolarHBondContact O-N 3.34Å; L812-S884 WeakPolarHBondContact CB-OG 3.33Å; L812-S884 PolarHBondContact N-OG 3.1Å; L812-S884 PolarHBondContact O-OG 3.3Å; P882-S884 PolarHBondContact O-N 2.85Å; S884-V886 PolarHBondContact O-N 2.93Å |
| 885 | S | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -61.9 | 133.5 | 176.8 | -83 | 0 | 0 | 0 | 0 | 112 | R780 C810 P882 P883 | R780-S885 PolarHBondContact N-O 2.85Å; C810-S885 WeakPolarHBondContact O-CA 3.32Å; P882-S885 WeakPolarHBondContact CD-OG 3.29Å; P882-S885 VanDerWaalsContact CG-OG 3.32Å; P882-S885 WeakPolarHBondContact CG-OG 3.29Å; P882-S885 WeakPolarHBondContact O-CB 3.41Å; P882-S885 PolarHBondContact O-N 3.07Å; P882-S885 VanDerWaalsContact O-N 3.07Å; P882-S885 PolarHBondContact O-OG 2.79Å; P882-S885 VanDerWaalsContact O-OG 3.12Å; P883-S885 VanDerWaalsContact C-N 3.28Å; P883-S885 PolarHBondContact O-N 3.47Å | ||
| 886 | V | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.1 | 172.5 | 169.8 | 0 | 0 | 0 | 0 | 108.1 | L674 P675 V678 V778 L779 F808 E809 C810 S884 V888 | L674-V886 HydrophobicContact CD2-CG2 4.5Å; L674-V886 HydrophobicContact CG-CG2 4.11Å; P675-V886 HydrophobicContact CB-CG2 4.15Å; V678-V886 HydrophobicContact CB-CG1 4.33Å; V678-V886 HydrophobicContact CB-CG2 4.46Å; V678-V886 HydrophobicContact CG1-CG1 3.91Å; V678-V886 HydrophobicContact CG2-CG1 4.12Å; V678-V886 HydrophobicContact CG2-CG2 4.27Å; V778-V886 WeakPolarHBondContact O-CA 3.42Å; L779-V886 HydrophobicContact CD2-CB 4.12Å; L779-V886 HydrophobicContact CD2-CG1 3.71Å; L779-V886 HydrophobicContact CD2-CG2 3.71Å; F808-V886 HydrophobicContact CE2-CG1 4.23Å; E809-V886 WeakPolarHBondContact CA-O 3.39Å; C810-V886 PolarHBondContact N-O 2.94Å; C810-V886 PolarHBondContact O-N 2.8Å; S884-V886 PolarHBondContact O-N 2.93Å; V886-V888 HydrophobicContact CG1-CG2 4.05Å |
| 887 | I | 95.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.4 | 172 | -51.8 | 172.5 | 0 | 0 | 0 | 107.4 | V778 I806 H862 L878 L881 L889 | V778-I887 HydrophobicContact CB-CB 4.29Å; V778-I887 PolarHBondContact N-O 2.95Å; V778-I887 PolarHBondContact O-N 3.16Å; I806-I887 HydrophobicContact CG2-CG2 3.79Å; H862-I887 HydrophobicContact CB-CD1 3.36Å; H862-I887 HydrophobicContact CB-CG1 4.39Å; L878-I887 HydrophobicContact CD2-CD1 4.47Å; L881-I887 HydrophobicContact CD2-CD1 3.68Å; L881-I887 HydrophobicContact CD2-CG1 4.33Å; I887-L889 HydrophobicContact CG2-CD2 3.56Å; I887-L889 HydrophobicContact CG2-CG 4.28Å |
| 888 | V | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | L740 I775 I776 Y777 I806 L807 F808 V886 | L740-V888 HydrophobicContact CD2-CG1 3.86Å; I775-V888 HydrophobicContact CG2-CG1 3.53Å; I776-V888 CarbonylContact O-C 3.6Å; I776-V888 WeakPolarHBondContact O-CA 3.49Å; Y777-V888 HydrophobicContact CD1-CB 4.46Å; Y777-V888 HydrophobicContact CD1-CG1 4.07Å; Y777-V888 HydrophobicContact CD1-CG2 3.52Å; Y777-V888 HydrophobicContact CE1-CG1 4.03Å; Y777-V888 HydrophobicContact CE1-CG2 4.01Å; Y777-V888 HydrophobicContact CG-CG2 4.3Å; I806-V888 CarbonylContact C-O 3.53Å; I806-V888 WeakPolarHBondContact CA-O 3.45Å; I806-V888 WeakPolarHBondContact CG2-O 3.45Å; L807-V888 HydrophobicContact CB-CB 4.48Å; L807-V888 HydrophobicContact CB-CG1 4.37Å; L807-V888 HydrophobicContact CD1-CG1 4.11Å; L807-V888 PolarHBondContact N-O 2.81Å; F808-V888 HydrophobicContact CD2-CB 4.21Å; F808-V888 HydrophobicContact CD2-CG2 3.91Å; F808-V888 HydrophobicContact CE1-CB 4.2Å; F808-V888 HydrophobicContact CE1-CG1 4.49Å; F808-V888 HydrophobicContact CE1-CG2 4.29Å; F808-V888 HydrophobicContact CE2-CB 3.89Å; F808-V888 HydrophobicContact CE2-CG2 3.25Å; F808-V888 HydrophobicContact CZ-CB 3.88Å; F808-V888 HydrophobicContact CZ-CG1 4.32Å; F808-V888 HydrophobicContact CZ-CG2 3.48Å; F808-V888 VanDerWaalsContact CZ-CG2 3.48Å; F808-V888 PolarHBondContact O-N 2.61Å; V886-V888 HydrophobicContact CG1-CG2 4.05Å |
| 889 | L | 95.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140 | -172.8 | -49.8 | 176.2 | 0 | 0 | 0 | 109.9 | I775 I776 L799 L803 I806 I863 L876 I887 V891 | I775-L889 CarbonylContact C-O 3.47Å; I775-L889 WeakPolarHBondContact CA-O 3.49Å; I776-L889 HydrophobicContact CB-CB 4.25Å; I776-L889 PolarHBondContact N-O 2.83Å; I776-L889 PolarHBondContact O-N 3.17Å; L799-L889 HydrophobicContact CD1-CD1 4.17Å; L803-L889 HydrophobicContact CD1-CB 3.76Å; L803-L889 HydrophobicContact CD1-CD1 4.42Å; L803-L889 HydrophobicContact CD1-CD2 3.99Å; L803-L889 HydrophobicContact CD1-CG 4.27Å; I806-L889 HydrophobicContact CB-CD2 4.44Å; I806-L889 HydrophobicContact CG1-CD2 3.83Å; I806-L889 HydrophobicContact CG2-CD2 4.38Å; I863-L889 HydrophobicContact CD1-CD2 4.28Å; L876-L889 HydrophobicContact CD2-CD1 4Å; I887-L889 HydrophobicContact CG2-CD2 3.56Å; I887-L889 HydrophobicContact CG2-CG 4.28Å; L889-V891 HydrophobicContact CB-CG2 4.35Å |
| 890 | S | 94.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124.6 | 162.9 | 164.6 | 0 | 0 | 0 | 0 | 109 | E773 E804 T805 | E773-S890 PolarHBondContact OE1-OG 2.93Å; E804-S890 PolarHBondContact N-O 2.57Å; T805-S890 PolarHBondContact O-N 3.49Å |
| 891 | V | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.3 | -177.2 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | E773 S774 I776 L799 T802 L803 L889 | E773-V891 CarbonylContact C-O 3.53Å; S774-V891 PolarHBondContact N-O 2.7Å; S774-V891 PolarHBondContact O-N 2.95Å; I776-V891 HydrophobicContact CD1-CB 4.39Å; I776-V891 HydrophobicContact CD1-CG2 3.85Å; I776-V891 HydrophobicContact CG1-CG2 4.48Å; L799-V891 HydrophobicContact CB-CG1 4.35Å; L799-V891 HydrophobicContact CD1-CG2 4.01Å; T802-V891 WeakPolarHBondContact O-CA 3.42Å; L803-V891 HydrophobicContact CD1-CG2 4.18Å; L889-V891 HydrophobicContact CB-CG2 4.35Å |
| 892 | T | 90.5 | Very high | 90.6 | Very high | 17 Ų | 17 | 35 Ų | 35 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 150.2 | 174.1 | 69.2 | 0 | 0 | 0 | 0 | 110.3 | E773 G801 T802 E804 | E773-T892 HydrophobicContact CG-CG2 4.19Å; G801-T892 CarbonylContact C-O 3.59Å; G801-T892 WeakPolarHBondContact CA-O 3.44Å; T802-T892 PolarHBondContact N-O 3.37Å; T802-T892 PolarHBondContact O-N 2.77Å; E804-T892 HydrophobicContact CG-CG2 3.68Å; E804-T892 PolarHBondContact OE1-OG1 2.75Å |
| 893 | L | 87.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 147.4 | 170.1 | -70.6 | -173.1 | 0 | 0 | 0 | 110.9 | M772 A800 R898 L901 P1042 F1044 M1045 | M772-L893 HydrophobicContact CB-CB 4.42Å; M772-L893 HydrophobicContact CB-CD1 3.96Å; M772-L893 HydrophobicContact CB-CG 4.2Å; M772-L893 HydrophobicContact CG-CD1 4.46Å; M772-L893 PolarHBondContact O-N 3.48Å; A800-L893 WeakPolarHBondContact O-CD2 3.43Å; L893-R898 HydrophobicContact CB-CG 3.64Å; L893-R898 PolarHBondContact O-NE 2.97Å; L893-L901 HydrophobicContact CD1-CD2 4.35Å; L893-P1042 HydrophobicContact CD1-CG 3.71Å; L893-P1042 HydrophobicContact CD2-CB 4.48Å; L893-P1042 HydrophobicContact CD2-CG 3.63Å; L893-P1042 HydrophobicContact CG-CG 4.3Å; L893-F1044 HydrophobicContact CD2-CZ 4.21Å; L893-M1045 HydrophobicContact CD1-SD 4.15Å |
| 894 | S | 85.9 | Confident | 90.6 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 153.5 | 175.6 | 70.4 | 0 | 0 | 0 | 0 | 111 | Q872 E896 S897 R898 | Q872-S894 PolarHBondContact OE1-OG 3.49Å; S894-E896 PolarHBondContact O-N 3.47Å; S894-S897 PolarHBondContact O-N 3.44Å; S894-S897 WeakPolarHBondContact OG-CB 3.46Å; S894-S897 PolarHBondContact OG-N 2.73Å; S894-S897 VanDerWaalsContact OG-N 3.08Å; S894-S897 PolarHBondContact OG-OG 2.88Å; S894-R898 PolarHBondContact O-N 2.9Å |
| 895 | R | 85.1 | Confident | 90.3 | Very high | 203 Ų | 203 | 33.7 Ų | 33.7 | 77% | 0.766 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -57.9 | -38.7 | -178.9 | -174.9 | -179.8 | 177.6 | -177.2 | -0.3 | 111.3 | Y899 | R895-Y899 WeakPolarHBondContact O-CB 3.35Å; R895-Y899 PolarHBondContact O-N 3.12Å |
| 896 | E | 87.5 | Confident | 89.8 | Confident | 114 Ų | 114 | 35.1 Ų | 35.1 | 53% | 0.533 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 178.5 | -61.6 | 71.2 | -153.9 | 0 | 0 | 111.3 | S894 Y899 A900 | S894-E896 PolarHBondContact O-N 3.47Å; E896-Y899 PolarHBondContact O-N 3.45Å; E896-A900 WeakPolarHBondContact O-CB 3.41Å; E896-A900 PolarHBondContact O-N 3.45Å |
| 897 | S | 89 | Confident | 89.5 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 177.5 | -80.1 | 0 | 0 | 0 | 0 | 111.9 | Q872 S894 A900 L901 G1040 | Q872-S897 PolarHBondContact OE1-OG 2.67Å; S894-S897 PolarHBondContact O-N 3.44Å; S894-S897 WeakPolarHBondContact OG-CB 3.46Å; S894-S897 PolarHBondContact OG-N 2.73Å; S894-S897 VanDerWaalsContact OG-N 3.08Å; S894-S897 PolarHBondContact OG-OG 2.88Å; S897-A900 PolarHBondContact O-N 2.8Å; S897-L901 VanDerWaalsContact O-CB 3.31Å; S897-L901 WeakPolarHBondContact O-CB 3.48Å; S897-L901 PolarHBondContact O-N 2.86Å; S897-G1040 WeakPolarHBondContact CA-O 3.3Å; S897-G1040 PolarHBondContact OG-O 3.3Å |
| 898 | R | 87.4 | Confident | 89.1 | Confident | 97 Ų | 97 | 35 Ų | 35 | 37% | 0.366 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.4 | -72.4 | -168.3 | -77.3 | 169.7 | -6 | 111.7 | M772 L893 S894 A900 L901 V902 | M772-R898 HydrophobicContact CB-CG 4.2Å; M772-R898 HydrophobicContact SD-CB 4.08Å; M772-R898 HydrophobicContact SD-CG 3.81Å; L893-R898 HydrophobicContact CB-CG 3.64Å; L893-R898 PolarHBondContact O-NE 2.97Å; S894-R898 PolarHBondContact O-N 2.9Å; R898-A900 VanDerWaalsContact C-N 3.34Å; R898-A900 PolarHBondContact O-N 2.93Å; R898-L901 PolarHBondContact O-N 3.28Å; R898-V902 WeakPolarHBondContact O-CB 3.29Å; R898-V902 WeakPolarHBondContact O-CG2 3.36Å; R898-V902 PolarHBondContact O-N 2.9Å |
| 899 | Y | 88.9 | Confident | 88.4 | Confident | 157 Ų | 157 | 35.5 Ų | 35.5 | 62% | 0.616 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -59.5 | -46.6 | 176.5 | 179.7 | -99.4 | 0 | 0 | 0 | 111.3 | R895 E896 L901 T903 | R895-Y899 WeakPolarHBondContact O-CB 3.35Å; R895-Y899 PolarHBondContact O-N 3.12Å; E896-Y899 PolarHBondContact O-N 3.45Å; Y899-L901 PolarHBondContact O-N 2.89Å; Y899-T903 WeakPolarHBondContact O-CB 3.25Å; Y899-T903 PolarHBondContact O-N 3.43Å; Y899-T903 PolarHBondContact O-OG1 2.96Å |
| 900 | A | 90.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E896 S897 R898 T903 L904 I1037 I1041 | E896-A900 WeakPolarHBondContact O-CB 3.41Å; E896-A900 PolarHBondContact O-N 3.45Å; S897-A900 PolarHBondContact O-N 2.8Å; R898-A900 VanDerWaalsContact C-N 3.34Å; R898-A900 PolarHBondContact O-N 2.93Å; A900-T903 PolarHBondContact O-N 3.03Å; A900-L904 VanDerWaalsContact O-CB 3.27Å; A900-L904 WeakPolarHBondContact O-CB 3.47Å; A900-L904 PolarHBondContact O-N 2.92Å; A900-I1037 HydrophobicContact CB-CG2 4.43Å; A900-I1037 WeakPolarHBondContact O-CG2 3.39Å; A900-I1041 HydrophobicContact CB-CG2 4.11Å |
| 901 | L | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -48.4 | -177.9 | -163 | 64.4 | 0 | 0 | 0 | 112.3 | M772 L893 S897 R898 Y899 T903 L904 Q905 I1041 M1045 Y1049 | M772-L901 HydrophobicContact CE-CB 3.96Å; M772-L901 HydrophobicContact CE-CD2 3.51Å; M772-L901 HydrophobicContact CE-CG 3.77Å; M772-L901 HydrophobicContact CG-CD2 3.84Å; M772-L901 HydrophobicContact SD-CB 4.18Å; M772-L901 HydrophobicContact SD-CD2 3.68Å; M772-L901 HydrophobicContact SD-CG 4.33Å; L893-L901 HydrophobicContact CD1-CD2 4.35Å; S897-L901 VanDerWaalsContact O-CB 3.31Å; S897-L901 WeakPolarHBondContact O-CB 3.48Å; S897-L901 PolarHBondContact O-N 2.86Å; R898-L901 PolarHBondContact O-N 3.28Å; Y899-L901 PolarHBondContact O-N 2.89Å; L901-T903 VanDerWaalsContact C-N 3.33Å; L901-T903 PolarHBondContact O-N 3.3Å; L901-L904 PolarHBondContact O-N 3.16Å; L901-Q905 WeakPolarHBondContact O-CB 3.23Å; L901-Q905 WeakPolarHBondContact O-CG 3.1Å; L901-Q905 PolarHBondContact O-N 3.12Å; L901-I1041 HydrophobicContact CB-CG2 4.23Å; L901-I1041 HydrophobicContact CD1-CB 4.26Å; L901-I1041 HydrophobicContact CD1-CG2 3.71Å; L901-M1045 HydrophobicContact CD1-CE 4.35Å; L901-M1045 HydrophobicContact CD2-CE 3.72Å; L901-M1045 HydrophobicContact CD2-SD 4.07Å; L901-Y1049 HydrophobicContact CD1-CD1 4.22Å; L901-Y1049 HydrophobicContact CD1-CD2 4.19Å; L901-Y1049 HydrophobicContact CD1-CE1 3.64Å; L901-Y1049 HydrophobicContact CD1-CE2 3.65Å; L901-Y1049 HydrophobicContact CD1-CG 4.45Å; L901-Y1049 WeakPolarHBondContact CD1-OH 3.19Å |
| 902 | V | 86.1 | Confident | 85.2 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | M772 R898 Q905 K906 | M772-V902 HydrophobicContact CE-CG2 3.67Å; M772-V902 HydrophobicContact SD-CG2 4.32Å; R898-V902 WeakPolarHBondContact O-CB 3.29Å; R898-V902 WeakPolarHBondContact O-CG2 3.36Å; R898-V902 PolarHBondContact O-N 2.9Å; V902-Q905 PolarHBondContact O-N 2.79Å; V902-K906 HydrophobicContact CG1-CD 4.15Å; V902-K906 HydrophobicContact CG1-CG 4.47Å; V902-K906 WeakPolarHBondContact O-CB 3.39Å; V902-K906 VanDerWaalsContact O-CG 3.31Å; V902-K906 WeakPolarHBondContact O-CG 3.47Å; V902-K906 PolarHBondContact O-N 2.81Å |
| 903 | T | 89.2 | Confident | 83.6 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | Y899 A900 L901 K906 E907 Y927 I1037 | Y899-T903 WeakPolarHBondContact O-CB 3.25Å; Y899-T903 PolarHBondContact O-N 3.43Å; Y899-T903 PolarHBondContact O-OG1 2.96Å; A900-T903 PolarHBondContact O-N 3.03Å; L901-T903 VanDerWaalsContact C-N 3.33Å; L901-T903 PolarHBondContact O-N 3.3Å; T903-K906 PolarHBondContact O-N 2.96Å; T903-E907 WeakPolarHBondContact O-CG 3.44Å; T903-E907 PolarHBondContact O-N 2.78Å; T903-Y927 WeakPolarHBondContact CG2-OH 3.39Å; T903-I1037 HydrophobicContact CG2-CD1 3.92Å; T903-I1037 HydrophobicContact CG2-CG1 4.35Å; T903-I1037 HydrophobicContact CG2-CG2 4.1Å |
| 904 | L | 89.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.2 | -178.4 | 60 | 0 | 0 | 0 | 111.8 | A900 L901 E907 L908 I1034 I1037 Y1038 I1041 Y1049 I1053 | A900-L904 VanDerWaalsContact O-CB 3.27Å; A900-L904 WeakPolarHBondContact O-CB 3.47Å; A900-L904 PolarHBondContact O-N 2.92Å; L901-L904 PolarHBondContact O-N 3.16Å; L904-E907 PolarHBondContact O-N 3.13Å; L904-L908 HydrophobicContact CD1-CD1 4.01Å; L904-L908 HydrophobicContact CD1-CG 4.21Å; L904-L908 HydrophobicContact CG-CD1 3.99Å; L904-L908 WeakPolarHBondContact O-CB 3.49Å; L904-L908 VanDerWaalsContact O-CG 3.28Å; L904-L908 WeakPolarHBondContact O-CG 3.23Å; L904-L908 PolarHBondContact O-N 3.24Å; L904-I1034 HydrophobicContact CD1-CG2 3.68Å; L904-I1037 HydrophobicContact CB-CG2 3.9Å; L904-Y1038 HydrophobicContact CD2-CD2 4.36Å; L904-I1041 HydrophobicContact CD2-CG2 4.34Å; L904-Y1049 HydrophobicContact CD2-CD1 3.59Å; L904-Y1049 HydrophobicContact CD2-CE1 4.37Å; L904-Y1049 HydrophobicContact CD2-CG 4.16Å; L904-Y1049 HydrophobicContact CG-CD1 4.26Å; L904-I1053 HydrophobicContact CD1-CD1 4.13Å; L904-I1053 HydrophobicContact CD1-CG1 4.36Å; L904-I1053 HydrophobicContact CD2-CD1 4.36Å |
| 905 | Q | 86.3 | Confident | 81 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.5 | -74.6 | 170.3 | -32 | 0 | 0 | 111 | L901 V902 E907 L908 T909 M915 M919 Y1049 | L901-Q905 WeakPolarHBondContact O-CB 3.23Å; L901-Q905 WeakPolarHBondContact O-CG 3.1Å; L901-Q905 PolarHBondContact O-N 3.12Å; V902-Q905 PolarHBondContact O-N 2.79Å; Q905-E907 PolarHBondContact O-N 3.27Å; Q905-L908 PolarHBondContact O-N 3.48Å; Q905-T909 WeakPolarHBondContact O-CG2 3.5Å; Q905-T909 PolarHBondContact O-N 2.79Å; Q905-T909 VanDerWaalsContact O-N 3.11Å; Q905-M915 HydrophobicContact CB-SD 4.31Å; Q905-M915 HydrophobicContact CG-SD 4.06Å; Q905-M919 HydrophobicContact CB-SD 4.12Å; Q905-Y1049 HydrophobicContact CG-CE1 4.02Å; Q905-Y1049 PolarHBondContact NE2-OH 3.43Å |
| 906 | K | 85.2 | Confident | 79.4 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -49.6 | 175.8 | -74.2 | -177.5 | -178.6 | -161 | 0 | 111.7 | V902 T903 L908 T909 M919 D923 M924 Y927 F929 | V902-K906 HydrophobicContact CG1-CD 4.15Å; V902-K906 HydrophobicContact CG1-CG 4.47Å; V902-K906 WeakPolarHBondContact O-CB 3.39Å; V902-K906 VanDerWaalsContact O-CG 3.31Å; V902-K906 WeakPolarHBondContact O-CG 3.47Å; V902-K906 PolarHBondContact O-N 2.81Å; T903-K906 PolarHBondContact O-N 2.96Å; K906-L908 VanDerWaalsContact C-N 3.29Å; K906-L908 PolarHBondContact O-N 3.27Å; K906-T909 PolarHBondContact O-N 2.94Å; K906-T909 PolarHBondContact O-OG1 3.32Å; K906-M919 HydrophobicContact CB-CE 4.45Å; K906-M919 HydrophobicContact CG-CE 3.64Å; K906-M919 HydrophobicContact CG-SD 3.87Å; K906-D923 PolarHBondContact NZ-O 2.89Å; K906-M924 HydrophobicContact CB-SD 4.47Å; K906-M924 HydrophobicContact CG-SD 4.15Å; K906-Y927 HydrophobicContact CB-CD1 3.92Å; K906-Y927 HydrophobicContact CB-CD2 4.27Å; K906-Y927 HydrophobicContact CB-CE1 3.72Å; K906-Y927 HydrophobicContact CB-CE2 4.08Å; K906-Y927 HydrophobicContact CB-CG 4.19Å; K906-Y927 HydrophobicContact CD-CD1 4.44Å; K906-Y927 HydrophobicContact CD-CD2 3.46Å; K906-Y927 VanDerWaalsContact CD-CD2 3.46Å; K906-Y927 HydrophobicContact CD-CE2 3.76Å; K906-Y927 HydrophobicContact CD-CG 3.83Å; K906-Y927 HydrophobicContact CG-CD2 4.42Å; K906-Y927 HydrophobicContact CG-CG 4.46Å; K906-F929 WeakPolarHBondContact O-CE1 3.38Å |
| 907 | E | 88.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 176.4 | -69.7 | -63.4 | 143.3 | 0 | 0 | 112.7 | T903 L904 Q905 T909 Y927 F929 E930 S931 I1034 I1037 | T903-E907 WeakPolarHBondContact O-CG 3.44Å; T903-E907 PolarHBondContact O-N 2.78Å; L904-E907 PolarHBondContact O-N 3.13Å; Q905-E907 PolarHBondContact O-N 3.27Å; E907-T909 PolarHBondContact O-N 2.94Å; E907-Y927 VanDerWaalsContact OE1-CE1 3.29Å; E907-Y927 WeakPolarHBondContact OE1-CE1 3.27Å; E907-Y927 PolarHBondContact OE1-OH 2.87Å; E907-F929 WeakPolarHBondContact OE1-CA 3.45Å; E907-E930 PolarHBondContact OE1-N 3.46Å; E907-S931 VanDerWaalsContact OE2-CB 3.22Å; E907-S931 WeakPolarHBondContact OE2-CB 3.12Å; E907-S931 PolarHBondContact OE2-N 3.39Å; E907-S931 PolarHBondContact OE2-OG 2.87Å; E907-I1034 HydrophobicContact CB-CD1 3.59Å; E907-I1034 HydrophobicContact CG-CD1 3.95Å; E907-I1037 HydrophobicContact CG-CD1 4.01Å |
| 908 | L | 87 | Confident | 76.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.3 | -18.8 | -177.6 | -69.6 | 175.4 | 0 | 0 | 0 | 114.2 | L904 Q905 K906 R910 V911 N912 M915 W1030 L1052 I1053 | L904-L908 HydrophobicContact CD1-CD1 4.01Å; L904-L908 HydrophobicContact CD1-CG 4.21Å; L904-L908 HydrophobicContact CG-CD1 3.99Å; L904-L908 WeakPolarHBondContact O-CB 3.49Å; L904-L908 VanDerWaalsContact O-CG 3.28Å; L904-L908 WeakPolarHBondContact O-CG 3.23Å; L904-L908 PolarHBondContact O-N 3.24Å; Q905-L908 PolarHBondContact O-N 3.48Å; K906-L908 VanDerWaalsContact C-N 3.29Å; K906-L908 PolarHBondContact O-N 3.27Å; L908-R910 PolarHBondContact O-N 3.3Å; L908-V911 HydrophobicContact CD2-CG2 3.99Å; L908-V911 WeakPolarHBondContact O-CG2 3.47Å; L908-V911 PolarHBondContact O-N 2.78Å; L908-V911 VanDerWaalsContact O-N 3.12Å; L908-N912 PolarHBondContact O-N 2.87Å; L908-M915 HydrophobicContact CB-CG 3.97Å; L908-W1030 HydrophobicContact CD2-CH2 4.38Å; L908-L1052 HydrophobicContact CD1-CD2 3.7Å; L908-L1052 HydrophobicContact CD1-CG 4.11Å; L908-I1053 HydrophobicContact CD1-CG1 4.02Å; L908-I1053 HydrophobicContact CD2-CG1 4.17Å |
| 909 | T | 80.4 | Confident | 74.7 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.9 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | Q905 K906 E907 V911 M915 V916 M919 M924 | Q905-T909 WeakPolarHBondContact O-CG2 3.5Å; Q905-T909 PolarHBondContact O-N 2.79Å; Q905-T909 VanDerWaalsContact O-N 3.11Å; K906-T909 PolarHBondContact O-N 2.94Å; K906-T909 PolarHBondContact O-OG1 3.32Å; E907-T909 PolarHBondContact O-N 2.94Å; T909-V911 VanDerWaalsContact C-N 3.3Å; T909-V911 PolarHBondContact O-N 2.98Å; T909-M915 HydrophobicContact CG2-CB 3.74Å; T909-V916 WeakPolarHBondContact O-CG2 3.39Å; T909-M919 HydrophobicContact CG2-CE 3.53Å; T909-M919 HydrophobicContact CG2-SD 4.35Å; T909-M924 HydrophobicContact CG2-CE 4.09Å; T909-M924 HydrophobicContact CG2-SD 4.13Å; T909-M924 WeakPolarHBondContact OG1-CE 3.29Å |
| 910 | R | 76 | Confident | 73 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.8 | 180 | -76.1 | 178.4 | 71.6 | 179.8 | 10.7 | 113.6 | L908 F929 S931 D933 | L908-R910 PolarHBondContact O-N 3.3Å; R910-F929 HydrophobicContact CB-CE1 4.47Å; R910-F929 HydrophobicContact CG-CD1 4.08Å; R910-F929 HydrophobicContact CG-CE1 3.42Å; R910-F929 VanDerWaalsContact CG-CE1 3.42Å; R910-F929 HydrophobicContact CG-CE2 4.15Å; R910-F929 HydrophobicContact CG-CZ 3.45Å; R910-F929 VanDerWaalsContact CG-CZ 3.45Å; R910-S931 PolarHBondContact NH1-O 2.81Å; R910-D933 IonicContact CZ-OD2 2.72Å; R910-D933 VanDerWaalsContact NH2-CA 3.35Å; R910-D933 VanDerWaalsContact NH2-CG 3.26Å; R910-D933 IonicContact NH2-OD2 3.59Å; R910-D933 PolarHBondContact NH2-OD2 2.98Å |
| 911 | V | 74.9 | Confident | 71.1 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -9.3 | -170.9 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | L908 T909 L934 W1030 V1060 | L908-V911 HydrophobicContact CD2-CG2 3.99Å; L908-V911 WeakPolarHBondContact O-CG2 3.47Å; L908-V911 PolarHBondContact O-N 2.78Å; L908-V911 VanDerWaalsContact O-N 3.12Å; T909-V911 VanDerWaalsContact C-N 3.3Å; T909-V911 PolarHBondContact O-N 2.98Å; V911-L934 HydrophobicContact CB-CD2 4.05Å; V911-L934 HydrophobicContact CG1-CB 3.54Å; V911-L934 HydrophobicContact CG1-CD2 3.56Å; V911-L934 HydrophobicContact CG1-CG 4.17Å; V911-W1030 HydrophobicContact CG1-CZ2 4.39Å; V911-W1030 HydrophobicContact CG2-CZ2 4.32Å; V911-V1060 HydrophobicContact CB-CG2 4.34Å |
| 912 | N | 66.1 | Low | 69.2 | Low | 25 Ų | 25 | 59.5 Ų | 59.5 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | trans | -139.9 | 108.3 | 178 | -164.2 | -32.3 | 0 | 0 | 0 | 110.5 | L908 Y914 M915 L1052 S1056 | L908-N912 PolarHBondContact O-N 2.87Å; N912-Y914 PolarHBondContact O-N 3.21Å; N912-Y914 WeakPolarHBondContact OD1-CB 3.41Å; N912-Y914 PolarHBondContact OD1-N 2.99Å; N912-M915 PolarHBondContact O-N 3.34Å; N912-M915 VanDerWaalsContact O-N 3.08Å; N912-L1052 WeakPolarHBondContact ND2-CD1 3.07Å; N912-S1056 WeakPolarHBondContact CB-OG 3.43Å; N912-S1056 PolarHBondContact ND2-OG 3.14Å | ||
| 913 | L | 56.7 | Low | 67.8 | Low | 151 Ų | 151 | 61.5 Ų | 61.5 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.8 | -25.4 | 178.2 | -71.9 | 166.7 | 0 | 0 | 0 | 112.9 | M915 V916 | L913-M915 VanDerWaalsContact C-N 3.34Å; L913-M915 PolarHBondContact O-N 3.12Å; L913-V916 WeakPolarHBondContact O-CB 3.48Å; L913-V916 PolarHBondContact O-N 3.34Å |
| 914 | Y | 58.5 | Low | 66.6 | Low | 17 Ų | 17 | 63.4 Ų | 63.4 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.5 | 175.1 | -123.4 | 0 | 0 | 0 | 112.8 | L638 P639 P641 N912 V916 Q917 L918 | L638-Y914 HydrophobicContact CB-CE1 3.89Å; P639-Y914 WeakPolarHBondContact CD-OH 3.14Å; P639-Y914 WeakPolarHBondContact O-CE2 3.36Å; P639-Y914 PolarHBondContact O-OH 2.91Å; P641-Y914 HydrophobicContact CG-CD2 3.49Å; P641-Y914 VanDerWaalsContact CG-CD2 3.49Å; P641-Y914 HydrophobicContact CG-CE2 4.02Å; P641-Y914 HydrophobicContact CG-CG 4.48Å; N912-Y914 PolarHBondContact O-N 3.21Å; N912-Y914 WeakPolarHBondContact OD1-CB 3.41Å; N912-Y914 PolarHBondContact OD1-N 2.99Å; Y914-V916 PolarHBondContact O-N 3.45Å; Y914-Q917 PolarHBondContact O-N 3.38Å; Y914-Q917 VanDerWaalsContact O-N 3.15Å; Y914-L918 HydrophobicContact CD1-CD1 4.33Å; Y914-L918 HydrophobicContact CE1-CD1 3.64Å; Y914-L918 HydrophobicContact CE2-CD1 4.21Å |
| 915 | M | 59.4 | Low | 65.4 | Low | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -23 | -179.7 | -70.5 | -68.2 | 102.9 | 0 | 0 | 112.2 | L638 Q905 L908 T909 N912 L913 Q917 L918 L1052 | L638-M915 HydrophobicContact CD1-CE 4.11Å; Q905-M915 HydrophobicContact CB-SD 4.31Å; Q905-M915 HydrophobicContact CG-SD 4.06Å; L908-M915 HydrophobicContact CB-CG 3.97Å; T909-M915 HydrophobicContact CG2-CB 3.74Å; N912-M915 PolarHBondContact O-N 3.34Å; N912-M915 VanDerWaalsContact O-N 3.08Å; L913-M915 VanDerWaalsContact C-N 3.34Å; L913-M915 PolarHBondContact O-N 3.12Å; M915-Q917 VanDerWaalsContact C-N 3.27Å; M915-Q917 PolarHBondContact O-N 2.89Å; M915-L918 HydrophobicContact CE-CD1 3.5Å; M915-L918 VanDerWaalsContact CE-CD1 3.5Å; M915-L918 PolarHBondContact O-N 3.25Å; M915-L918 HydrophobicContact SD-CD1 4.5Å; M915-L1052 HydrophobicContact CE-CD2 3.85Å; M915-L1052 HydrophobicContact CG-CD2 4.36Å; M915-L1052 HydrophobicContact SD-CD2 3.98Å |
| 916 | V | 52.8 | Low | 64.5 | Low | 77 Ų | 77 | 78.4 Ų | 78.4 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -31.5 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | T909 L913 Y914 | T909-V916 WeakPolarHBondContact O-CG2 3.39Å; L913-V916 WeakPolarHBondContact O-CB 3.48Å; L913-V916 PolarHBondContact O-N 3.34Å; Y914-V916 PolarHBondContact O-N 3.45Å |
| 917 | Q | 52.9 | Low | 64 | Low | 98 Ų | 98 | 79.1 Ų | 79.1 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -78.5 | -28.1 | -178.8 | -69 | 177.3 | -22.8 | 0 | 0 | 113.1 | P11 Y914 M915 M919 | P11-Q917 HydrophobicContact CB-CG 4.31Å; P11-Q917 HydrophobicContact CG-CB 4.26Å; Y914-Q917 PolarHBondContact O-N 3.38Å; Y914-Q917 VanDerWaalsContact O-N 3.15Å; M915-Q917 VanDerWaalsContact C-N 3.27Å; M915-Q917 PolarHBondContact O-N 2.89Å; Q917-M919 VanDerWaalsContact C-N 3.32Å; Q917-M919 PolarHBondContact O-N 2.93Å |
| 918 | L | 54.6 | Low | 63.7 | Low | 63 Ų | 63 | 88 Ų | 88 | 33% | 0.33 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -80.7 | -9.2 | -178.8 | -77.3 | 166.5 | 0 | 0 | 0 | 114 | Y914 M915 | Y914-L918 HydrophobicContact CD1-CD1 4.33Å; Y914-L918 HydrophobicContact CE1-CD1 3.64Å; Y914-L918 HydrophobicContact CE2-CD1 4.21Å; M915-L918 HydrophobicContact CE-CD1 3.5Å; M915-L918 VanDerWaalsContact CE-CD1 3.5Å; M915-L918 PolarHBondContact O-N 3.25Å; M915-L918 HydrophobicContact SD-CD1 4.5Å |
| 919 | M | 56.8 | Low | 63.6 | Low | 32 Ų | 32 | 90.7 Ų | 90.7 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -121.4 | 140.5 | -175.5 | -63.7 | -163.8 | -23.3 | 0 | 0 | 112 | Q905 K906 T909 Q917 K921 M924 | Q905-M919 HydrophobicContact CB-SD 4.12Å; K906-M919 HydrophobicContact CB-CE 4.45Å; K906-M919 HydrophobicContact CG-CE 3.64Å; K906-M919 HydrophobicContact CG-SD 3.87Å; T909-M919 HydrophobicContact CG2-CE 3.53Å; T909-M919 HydrophobicContact CG2-SD 4.35Å; Q917-M919 VanDerWaalsContact C-N 3.32Å; Q917-M919 PolarHBondContact O-N 2.93Å; M919-K921 PolarHBondContact O-N 3.42Å; M919-M924 HydrophobicContact CE-CE 4.49Å; M919-M924 HydrophobicContact CE-CG 3.55Å; M919-M924 HydrophobicContact CE-SD 3.08Å; M919-M924 WeakPolarHBondContact CE-SD 3.29Å |
| 920 | Q | 53.8 | Low | 64 | Low | 159 Ų | 159 | 94 Ų | 94 | 74% | 0.743 | 44% | 0.435 | S | S | * | . | trans | -63.7 | 130.4 | 174.2 | -68.3 | -171.1 | -5.7 | 0 | 0 | 110.2 | W922 D923 | Q920-W922 PolarHBondContact O-N 2.93Å; Q920-D923 PolarHBondContact O-N 3.31Å; Q920-D923 VanDerWaalsContact O-N 3.09Å | ||
| 921 | K | 50.1 | Low | 64.5 | Low | 183 Ų | 183 | 89.8 Ų | 89.8 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -46.6 | -36.7 | -179.1 | -106.2 | -179.1 | 175.7 | 178.8 | 0 | 113.8 | M919 D923 M924 | M919-K921 PolarHBondContact O-N 3.42Å; K921-D923 VanDerWaalsContact C-N 3.32Å; K921-D923 PolarHBondContact O-N 3.22Å; K921-M924 PolarHBondContact O-N 2.6Å |
| 922 | W | 48 | Very low | 65.2 | Low | 204 Ų | 204 | 91.7 Ų | 91.7 | 77% | 0.773 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -63.4 | -34.2 | -175.3 | -151 | -66.8 | 0 | 0 | 0 | 113.4 | Q920 M924 | Q920-W922 PolarHBondContact O-N 2.93Å; W922-M924 PolarHBondContact O-N 3.18Å |
| 923 | D | 58 | Low | 66.3 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -73.8 | -13.4 | -177.1 | -95.8 | -4.4 | 0 | 0 | 0 | 113.9 | K906 Q920 K921 | K906-D923 PolarHBondContact NZ-O 2.89Å; Q920-D923 PolarHBondContact O-N 3.31Å; Q920-D923 VanDerWaalsContact O-N 3.09Å; K921-D923 VanDerWaalsContact C-N 3.32Å; K921-D923 PolarHBondContact O-N 3.22Å |
| 924 | M | 64 | Low | 67.9 | Low | 45 Ų | 45 | 85.4 Ų | 85.4 | 22% | 0.222 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -33.3 | -174.2 | -77.8 | -58.4 | -65.8 | 0 | 0 | 114.1 | K906 T909 M919 K921 W922 Q926 Y927 F929 | K906-M924 HydrophobicContact CB-SD 4.47Å; K906-M924 HydrophobicContact CG-SD 4.15Å; T909-M924 HydrophobicContact CG2-CE 4.09Å; T909-M924 HydrophobicContact CG2-SD 4.13Å; T909-M924 WeakPolarHBondContact OG1-CE 3.29Å; M919-M924 HydrophobicContact CE-CE 4.49Å; M919-M924 HydrophobicContact CE-CG 3.55Å; M919-M924 HydrophobicContact CE-SD 3.08Å; M919-M924 WeakPolarHBondContact CE-SD 3.29Å; K921-M924 PolarHBondContact O-N 2.6Å; W922-M924 PolarHBondContact O-N 3.18Å; M924-Q926 PolarHBondContact O-N 3.24Å; M924-Q926 VanDerWaalsContact O-N 3.15Å; M924-Y927 PolarHBondContact O-N 2.73Å; M924-F929 HydrophobicContact CE-CE1 4.3Å; M924-F929 HydrophobicContact CE-CZ 3.6Å |
| 925 | E | 63.1 | Low | 69.3 | Low | 173 Ų | 173 | 89.7 Ų | 89.7 | 81% | 0.808 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.9 | -175.2 | -70.3 | -175 | 168.4 | 0 | 0 | 113.3 | ||
| 926 | Q | 67.7 | Low | 70.8 | Confident | 166 Ų | 166 | 95.1 Ų | 95.1 | 78% | 0.776 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -4 | -179.5 | -59.4 | -174.7 | 14.7 | 0 | 0 | 113.8 | M924 K928 | M924-Q926 PolarHBondContact O-N 3.24Å; M924-Q926 VanDerWaalsContact O-N 3.15Å; Q926-K928 PolarHBondContact O-N 3.36Å |
| 927 | Y | 75.1 | Confident | 72.6 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 18% | 0.18 | 42% | 0.424 | C | S | . | . | trans | -79.1 | 123.2 | -174.6 | -176.7 | -103.5 | 0 | 0 | 0 | 111.6 | T903 K906 E907 M924 F929 | T903-Y927 WeakPolarHBondContact CG2-OH 3.39Å; K906-Y927 HydrophobicContact CB-CD1 3.92Å; K906-Y927 HydrophobicContact CB-CD2 4.27Å; K906-Y927 HydrophobicContact CB-CE1 3.72Å; K906-Y927 HydrophobicContact CB-CE2 4.08Å; K906-Y927 HydrophobicContact CB-CG 4.19Å; K906-Y927 HydrophobicContact CD-CD1 4.44Å; K906-Y927 HydrophobicContact CD-CD2 3.46Å; K906-Y927 VanDerWaalsContact CD-CD2 3.46Å; K906-Y927 HydrophobicContact CD-CE2 3.76Å; K906-Y927 HydrophobicContact CD-CG 3.83Å; K906-Y927 HydrophobicContact CG-CD2 4.42Å; K906-Y927 HydrophobicContact CG-CG 4.46Å; E907-Y927 VanDerWaalsContact OE1-CE1 3.29Å; E907-Y927 WeakPolarHBondContact OE1-CE1 3.27Å; E907-Y927 PolarHBondContact OE1-OH 2.87Å; M924-Y927 PolarHBondContact O-N 2.73Å; Y927-F929 AromaticContact CD1-CD1 3.91Å; Y927-F929 HydrophobicContact CD1-CD1 3.91Å; Y927-F929 HydrophobicContact CD1-CD2 4.22Å; Y927-F929 AromaticContact CD1-CE1 3.88Å; Y927-F929 HydrophobicContact CD1-CE1 3.88Å; Y927-F929 HydrophobicContact CD1-CE2 4.18Å; Y927-F929 HydrophobicContact CD1-CG 4.08Å; Y927-F929 HydrophobicContact CD1-CZ 4.02Å; Y927-F929 HydrophobicContact CE1-CB 4.49Å; Y927-F929 AromaticContact CE1-CD1 3.7Å; Y927-F929 HydrophobicContact CE1-CD1 3.7Å; Y927-F929 AromaticContact CE1-CE1 4Å; Y927-F929 HydrophobicContact CE1-CE1 4Å; Y927-F929 HydrophobicContact CE1-CG 4.06Å | ||
| 928 | K | 82.7 | Confident | 74.4 | Confident | 187 Ų | 187 | 87 Ų | 87 | 81% | 0.813 | 40% | 0.403 | S | S | * | . | trans | -93 | 106 | 174.7 | -173.4 | 179.9 | 179.7 | -178.8 | 0 | 109.7 | Q926 E930 | Q926-K928 PolarHBondContact O-N 3.36Å; K928-E930 PolarHBondContact O-N 2.83Å | ||
| 929 | F | 84.7 | Confident | 75.9 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | trans | -58.7 | 133.2 | 177.3 | -63.2 | -89.3 | 0 | 0 | 0 | 112 | K906 E907 R910 M924 Y927 | K906-F929 WeakPolarHBondContact O-CE1 3.38Å; E907-F929 WeakPolarHBondContact OE1-CA 3.45Å; R910-F929 HydrophobicContact CB-CE1 4.47Å; R910-F929 HydrophobicContact CG-CD1 4.08Å; R910-F929 HydrophobicContact CG-CE1 3.42Å; R910-F929 VanDerWaalsContact CG-CE1 3.42Å; R910-F929 HydrophobicContact CG-CE2 4.15Å; R910-F929 HydrophobicContact CG-CZ 3.45Å; R910-F929 VanDerWaalsContact CG-CZ 3.45Å; M924-F929 HydrophobicContact CE-CE1 4.3Å; M924-F929 HydrophobicContact CE-CZ 3.6Å; Y927-F929 AromaticContact CD1-CD1 3.91Å; Y927-F929 HydrophobicContact CD1-CD1 3.91Å; Y927-F929 HydrophobicContact CD1-CD2 4.22Å; Y927-F929 AromaticContact CD1-CE1 3.88Å; Y927-F929 HydrophobicContact CD1-CE1 3.88Å; Y927-F929 HydrophobicContact CD1-CE2 4.18Å; Y927-F929 HydrophobicContact CD1-CG 4.08Å; Y927-F929 HydrophobicContact CD1-CZ 4.02Å; Y927-F929 HydrophobicContact CE1-CB 4.49Å; Y927-F929 AromaticContact CE1-CD1 3.7Å; Y927-F929 HydrophobicContact CE1-CD1 3.7Å; Y927-F929 AromaticContact CE1-CE1 4Å; Y927-F929 HydrophobicContact CE1-CE1 4Å; Y927-F929 HydrophobicContact CE1-CG 4.06Å | ||
| 930 | E | 87.5 | Confident | 77.3 | Confident | 80 Ų | 80 | 94.2 Ų | 94.2 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -76.9 | -33.7 | 169.2 | -63.3 | -169.1 | 168.3 | 0 | 0 | 111 | E907 K928 I1033 R1036 | E907-E930 PolarHBondContact OE1-N 3.46Å; K928-E930 PolarHBondContact O-N 2.83Å; E930-I1033 HydrophobicContact CB-CG2 3.88Å; E930-R1036 VanDerWaalsContact CD-NH2 3.34Å; E930-R1036 IonicContact OE1-NH2 2.7Å; E930-R1036 PolarHBondContact OE1-NH2 3.09Å; E930-R1036 IonicContact OE2-CZ 2.83Å; E930-R1036 IonicContact OE2-NH2 3.42Å; E930-R1036 PolarHBondContact OE2-NH2 3.11Å |
| 931 | S | 87.4 | Confident | 78.9 | Confident | 6 Ų | 6 | 87.6 Ų | 87.6 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -85.9 | 140.9 | -176.5 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | E907 R910 W1030 | E907-S931 VanDerWaalsContact OE2-CB 3.22Å; E907-S931 WeakPolarHBondContact OE2-CB 3.12Å; E907-S931 PolarHBondContact OE2-N 3.39Å; E907-S931 PolarHBondContact OE2-OG 2.87Å; R910-S931 PolarHBondContact NH1-O 2.81Å; S931-W1030 PolarHBondContact OG-NE1 3.08Å |
| 932 | P | 89.5 | Confident | 80.6 | Confident | 61 Ų | 61 | 80.1 Ų | 80.1 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | trans | -65.3 | 162.6 | 171 | 21.1 | -25.3 | 0 | 0 | 0 | 111.6 | L934 I937 W1030 | P932-L934 PolarHBondContact O-N 2.82Å; P932-L934 VanDerWaalsContact O-N 3.15Å; P932-I937 HydrophobicContact CB-CD1 4.01Å; P932-I937 HydrophobicContact CG-CD1 3.72Å; P932-W1030 VanDerWaalsContact O-CD1 3.28Å; P932-W1030 PolarHBondContact O-NE1 3.44Å | ||
| 933 | D | 89.7 | Confident | 82.3 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | trans | -62.8 | 114.8 | 179.2 | -167.1 | -65.9 | 0 | 0 | 0 | 111.6 | R910 Q935 Q936 I937 | R910-D933 IonicContact CZ-OD2 2.72Å; R910-D933 VanDerWaalsContact NH2-CA 3.35Å; R910-D933 VanDerWaalsContact NH2-CG 3.26Å; R910-D933 IonicContact NH2-OD2 3.59Å; R910-D933 PolarHBondContact NH2-OD2 2.98Å; D933-Q935 PolarHBondContact O-N 2.88Å; D933-Q935 WeakPolarHBondContact OD1-CA 3.35Å; D933-Q935 WeakPolarHBondContact OD1-CB 3.44Å; D933-Q935 PolarHBondContact OD1-N 3.45Å; D933-Q936 HydrophobicContact CB-CB 3.99Å; D933-Q936 HydrophobicContact CB-CG 3.82Å; D933-Q936 PolarHBondContact O-N 3.5Å; D933-Q936 PolarHBondContact OD1-N 2.88Å; D933-I937 VanDerWaalsContact O-CG1 3.3Å; D933-I937 WeakPolarHBondContact O-CG1 3.4Å; D933-I937 PolarHBondContact O-N 3Å | ||
| 934 | L | 90.2 | Very high | 83.6 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | -177.4 | -177 | 64 | 0 | 0 | 0 | 112.2 | V911 P932 Q936 I937 V938 L1027 W1030 V1057 V1060 | V911-L934 HydrophobicContact CB-CD2 4.05Å; V911-L934 HydrophobicContact CG1-CB 3.54Å; V911-L934 HydrophobicContact CG1-CD2 3.56Å; V911-L934 HydrophobicContact CG1-CG 4.17Å; P932-L934 PolarHBondContact O-N 2.82Å; P932-L934 VanDerWaalsContact O-N 3.15Å; L934-Q936 VanDerWaalsContact C-N 3.31Å; L934-Q936 PolarHBondContact O-N 3.34Å; L934-I937 PolarHBondContact O-N 3Å; L934-V938 HydrophobicContact CD1-CG2 4.15Å; L934-V938 HydrophobicContact CG-CG2 4.28Å; L934-V938 VanDerWaalsContact O-CG2 3.3Å; L934-V938 WeakPolarHBondContact O-CG2 3.29Å; L934-V938 PolarHBondContact O-N 3.07Å; L934-L1027 HydrophobicContact CD1-CD1 3.41Å; L934-L1027 VanDerWaalsContact CD1-CD1 3.41Å; L934-W1030 HydrophobicContact CD1-CD2 4.17Å; L934-W1030 HydrophobicContact CD1-CG 4.33Å; L934-W1030 HydrophobicContact CD2-CZ2 4.34Å; L934-V1057 HydrophobicContact CD2-CB 4.35Å; L934-V1057 HydrophobicContact CD2-CG1 4.44Å; L934-V1057 HydrophobicContact CD2-CG2 3.9Å; L934-V1060 HydrophobicContact CD2-CB 4.12Å; L934-V1060 HydrophobicContact CD2-CG1 4.16Å; L934-V1060 HydrophobicContact CD2-CG2 4.2Å; L934-V1060 HydrophobicContact CG-CG1 4.16Å |
| 935 | Q | 87.6 | Confident | 84.8 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 179.2 | -72.3 | -175.2 | -6.7 | 0 | 0 | 110.8 | D933 V938 H939 V1060 | D933-Q935 PolarHBondContact O-N 2.88Å; D933-Q935 WeakPolarHBondContact OD1-CA 3.35Å; D933-Q935 WeakPolarHBondContact OD1-CB 3.44Å; D933-Q935 PolarHBondContact OD1-N 3.45Å; Q935-V938 PolarHBondContact O-N 2.65Å; Q935-H939 WeakPolarHBondContact O-CB 3.15Å; Q935-H939 PolarHBondContact O-N 3.36Å; Q935-H939 PolarHBondContact O-ND1 2.88Å; Q935-V1060 HydrophobicContact CG-CG1 3.87Å |
| 936 | Q | 89.7 | Confident | 86.2 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.7 | -65.1 | -176.5 | 4.6 | 0 | 0 | 112.7 | D933 L934 R940 | D933-Q936 HydrophobicContact CB-CB 3.99Å; D933-Q936 HydrophobicContact CB-CG 3.82Å; D933-Q936 PolarHBondContact O-N 3.5Å; D933-Q936 PolarHBondContact OD1-N 2.88Å; L934-Q936 VanDerWaalsContact C-N 3.31Å; L934-Q936 PolarHBondContact O-N 3.34Å; Q936-R940 WeakPolarHBondContact O-CG 3.47Å; Q936-R940 PolarHBondContact O-N 3.29Å; Q936-R940 PolarHBondContact O-NE 2.9Å |
| 937 | I | 92.5 | Very high | 87.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -53.3 | 174 | -65.4 | 163.9 | 0 | 0 | 0 | 109 | P932 D933 L934 H939 R940 M941 E1026 L1027 W1030 | P932-I937 HydrophobicContact CB-CD1 4.01Å; P932-I937 HydrophobicContact CG-CD1 3.72Å; D933-I937 VanDerWaalsContact O-CG1 3.3Å; D933-I937 WeakPolarHBondContact O-CG1 3.4Å; D933-I937 PolarHBondContact O-N 3Å; L934-I937 PolarHBondContact O-N 3Å; I937-H939 PolarHBondContact O-N 2.87Å; I937-R940 PolarHBondContact O-N 2.88Å; I937-R940 VanDerWaalsContact O-N 3.11Å; I937-M941 WeakPolarHBondContact O-CG 3.41Å; I937-M941 PolarHBondContact O-N 3.31Å; I937-E1026 HydrophobicContact CG1-CB 4.35Å; I937-E1026 HydrophobicContact CG2-CB 3.86Å; I937-L1027 HydrophobicContact CG2-CB 4.06Å; I937-W1030 HydrophobicContact CD1-CB 4.12Å; I937-W1030 HydrophobicContact CD1-CG 4.33Å |
| 938 | V | 90.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | -176.6 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | L934 Q935 R940 M941 V1060 I1061 V1064 | L934-V938 HydrophobicContact CD1-CG2 4.15Å; L934-V938 HydrophobicContact CG-CG2 4.28Å; L934-V938 VanDerWaalsContact O-CG2 3.3Å; L934-V938 WeakPolarHBondContact O-CG2 3.29Å; L934-V938 PolarHBondContact O-N 3.07Å; Q935-V938 PolarHBondContact O-N 2.65Å; V938-R940 PolarHBondContact O-N 3.08Å; V938-M941 HydrophobicContact CG2-SD 4.37Å; V938-M941 VanDerWaalsContact O-CB 3.27Å; V938-M941 WeakPolarHBondContact O-CB 3.43Å; V938-M941 PolarHBondContact O-N 3.27Å; V938-V1060 HydrophobicContact CG2-CG1 4.33Å; V938-I1061 HydrophobicContact CG1-CG1 4.15Å; V938-I1061 HydrophobicContact CG2-CG1 3.88Å; V938-V1064 HydrophobicContact CB-CG2 4.47Å; V938-V1064 HydrophobicContact CG1-CB 3.68Å; V938-V1064 HydrophobicContact CG1-CG1 3.76Å; V938-V1064 HydrophobicContact CG1-CG2 4.05Å |
| 939 | H | 86.5 | Confident | 88.9 | Confident | 117 Ų | 117 | 40.3 Ų | 40.3 | 54% | 0.542 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -25.1 | 175.8 | -86.4 | 83.9 | 0 | 0 | 0 | 113.9 | Q935 I937 | Q935-H939 WeakPolarHBondContact O-CB 3.15Å; Q935-H939 PolarHBondContact O-N 3.36Å; Q935-H939 PolarHBondContact O-ND1 2.88Å; I937-H939 PolarHBondContact O-N 2.87Å |
| 940 | R | 86.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 37.7 Ų | 37.7 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -84.9 | -14.4 | 177 | -69.2 | -176.1 | -70.6 | -155.7 | 8.8 | 112.8 | Q936 I937 V938 E1026 | Q936-R940 WeakPolarHBondContact O-CG 3.47Å; Q936-R940 PolarHBondContact O-N 3.29Å; Q936-R940 PolarHBondContact O-NE 2.9Å; I937-R940 PolarHBondContact O-N 2.88Å; I937-R940 VanDerWaalsContact O-N 3.11Å; V938-R940 PolarHBondContact O-N 3.08Å; R940-E1026 IonicContact CZ-OE2 3.1Å; R940-E1026 IonicContact NE-OE2 2.79Å; R940-E1026 IonicContact NH2-OE1 2.66Å; R940-E1026 IonicContact NH2-OE2 3.93Å; R940-E1026 PolarHBondContact NH2-OE2 3.11Å |
| 941 | M | 87.1 | Confident | 89.8 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -74.2 | 144.1 | 178.7 | -60.3 | -179.2 | 75.4 | 0 | 0 | 110.5 | I937 V938 D945 I946 V949 T1024 L1027 | I937-M941 WeakPolarHBondContact O-CG 3.41Å; I937-M941 PolarHBondContact O-N 3.31Å; V938-M941 HydrophobicContact CG2-SD 4.37Å; V938-M941 VanDerWaalsContact O-CB 3.27Å; V938-M941 WeakPolarHBondContact O-CB 3.43Å; V938-M941 PolarHBondContact O-N 3.27Å; M941-D945 HydrophobicContact CB-CB 3.93Å; M941-D945 HydrophobicContact CE-CB 3.64Å; M941-D945 HydrophobicContact CG-CB 4.47Å; M941-I946 HydrophobicContact CB-CG1 4.31Å; M941-V949 HydrophobicContact CE-CG2 3.44Å; M941-V949 VanDerWaalsContact CE-CG2 3.44Å; M941-T1024 HydrophobicContact CE-CG2 3.63Å; M941-L1027 HydrophobicContact CE-CD2 4.14Å; M941-L1027 HydrophobicContact SD-CB 4.44Å; M941-L1027 HydrophobicContact SD-CD2 4.17Å |
| 942 | T | 84.1 | Confident | 90.2 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | trans | -84.2 | 163 | 171.7 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | Q944 D945 I946 R1114 R1119 | T942-Q944 PolarHBondContact O-N 3.49Å; T942-D945 PolarHBondContact N-OD2 3.1Å; T942-D945 WeakPolarHBondContact O-CA 3.5Å; T942-D945 VanDerWaalsContact O-CB 3.31Å; T942-D945 WeakPolarHBondContact O-CB 3.25Å; T942-D945 PolarHBondContact O-N 3.03Å; T942-D945 VanDerWaalsContact OG1-CG 3.3Å; T942-D945 PolarHBondContact OG1-N 3.24Å; T942-D945 PolarHBondContact OG1-OD2 3.24Å; T942-I946 PolarHBondContact O-N 3.45Å; T942-R1114 HydrophobicContact CG2-CB 4.45Å; T942-R1119 PolarHBondContact OG1-NH1 3.22Å | ||
| 943 | L | 85.2 | Confident | 90.5 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.246 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.4 | -32.8 | 172.4 | -67.6 | 179.8 | 0 | 0 | 0 | 112.4 | D945 I946 N947 M1065 L1086 R1156 | L943-D945 VanDerWaalsContact C-N 3.34Å; L943-D945 PolarHBondContact O-N 3.04Å; L943-I946 HydrophobicContact CD2-CD1 4.41Å; L943-I946 PolarHBondContact O-N 3.4Å; L943-N947 PolarHBondContact O-N 2.78Å; L943-M1065 HydrophobicContact CD2-CE 4.2Å; L943-M1065 HydrophobicContact CD2-CG 3.84Å; L943-L1086 HydrophobicContact CB-CD1 4.01Å; L943-L1086 HydrophobicContact CD2-CD1 4.44Å; L943-R1156 HydrophobicContact CD1-CG 3.69Å |
| 944 | Q | 85.7 | Confident | 90.8 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 172.8 | -67.6 | -172.7 | 2.7 | 0 | 0 | 113.2 | T942 I946 Y948 G1120 T1122 | T942-Q944 PolarHBondContact O-N 3.49Å; Q944-I946 VanDerWaalsContact C-N 3.34Å; Q944-Y948 PolarHBondContact O-N 2.9Å; Q944-Y948 VanDerWaalsContact O-N 3.13Å; Q944-G1120 PolarHBondContact NE2-O 3.06Å; Q944-T1122 WeakPolarHBondContact CG-OG1 3.27Å; Q944-T1122 PolarHBondContact NE2-OG1 3.44Å |
| 945 | D | 89.4 | Confident | 91 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 173 | -66.2 | -50.6 | 0 | 0 | 0 | 110.5 | M941 T942 L943 Y948 V949 G1023 T1024 R1119 | M941-D945 HydrophobicContact CB-CB 3.93Å; M941-D945 HydrophobicContact CE-CB 3.64Å; M941-D945 HydrophobicContact CG-CB 4.47Å; T942-D945 PolarHBondContact N-OD2 3.1Å; T942-D945 WeakPolarHBondContact O-CA 3.5Å; T942-D945 VanDerWaalsContact O-CB 3.31Å; T942-D945 WeakPolarHBondContact O-CB 3.25Å; T942-D945 PolarHBondContact O-N 3.03Å; T942-D945 VanDerWaalsContact OG1-CG 3.3Å; T942-D945 PolarHBondContact OG1-N 3.24Å; T942-D945 PolarHBondContact OG1-OD2 3.24Å; L943-D945 VanDerWaalsContact C-N 3.34Å; L943-D945 PolarHBondContact O-N 3.04Å; D945-Y948 CarbonylContact O-C 3.5Å; D945-Y948 WeakPolarHBondContact O-CA 3.16Å; D945-Y948 WeakPolarHBondContact O-CB 3.3Å; D945-Y948 PolarHBondContact O-N 3.09Å; D945-Y948 VanDerWaalsContact O-N 3.09Å; D945-V949 WeakPolarHBondContact O-CG2 3.4Å; D945-V949 PolarHBondContact O-N 3.2Å; D945-G1023 WeakPolarHBondContact OD1-CA 3.11Å; D945-T1024 HydrophobicContact CB-CG2 3.97Å; D945-R1119 IonicContact OD1-CZ 3.01Å; D945-R1119 IonicContact OD1-NH1 2.71Å; D945-R1119 PolarHBondContact OD1-NH1 2.85Å; D945-R1119 IonicContact OD1-NH2 3.8Å; D945-R1119 IonicContact OD2-CZ 2.8Å; D945-R1119 IonicContact OD2-NH1 3.41Å; D945-R1119 PolarHBondContact OD2-NH1 2.73Å; D945-R1119 IonicContact OD2-NH2 3.75Å |
| 946 | I | 91.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 179.4 | -60 | 174.3 | 0 | 0 | 0 | 110.8 | M941 T942 L943 Q944 Y948 V949 L950 I1061 M1065 L1086 | M941-I946 HydrophobicContact CB-CG1 4.31Å; T942-I946 PolarHBondContact O-N 3.45Å; L943-I946 HydrophobicContact CD2-CD1 4.41Å; L943-I946 PolarHBondContact O-N 3.4Å; Q944-I946 VanDerWaalsContact C-N 3.34Å; I946-Y948 VanDerWaalsContact C-N 3.28Å; I946-Y948 PolarHBondContact O-N 3.49Å; I946-V949 PolarHBondContact O-N 3.2Å; I946-L950 HydrophobicContact CG2-CD1 3.75Å; I946-L950 HydrophobicContact CG2-CG 4.03Å; I946-L950 WeakPolarHBondContact O-CB 3.38Å; I946-L950 PolarHBondContact O-N 3.18Å; I946-I1061 HydrophobicContact CG1-CG2 4.43Å; I946-I1061 HydrophobicContact CG2-CG2 3.46Å; I946-I1061 VanDerWaalsContact CG2-CG2 3.46Å; I946-M1065 HydrophobicContact CD1-CB 4.1Å; I946-M1065 HydrophobicContact CD1-CG 4.41Å; I946-L1086 HydrophobicContact CB-CD2 3.88Å; I946-L1086 HydrophobicContact CG2-CD2 3.41Å; I946-L1086 VanDerWaalsContact CG2-CD2 3.41Å |
| 947 | N | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.1 | -46.6 | 168.7 | 167.7 | -88 | 0 | 0 | 0 | 110.8 | L943 Y951 R952 L1086 | L943-N947 PolarHBondContact O-N 2.78Å; N947-Y951 PolarHBondContact O-N 3.3Å; N947-R952 WeakPolarHBondContact OD1-CD 3.5Å; N947-L1086 HydrophobicContact CB-CD1 4.41Å; N947-L1086 HydrophobicContact CB-CG 4.11Å; N947-L1086 PolarHBondContact ND2-O 2.98Å |
| 948 | Y | 93.6 | Very high | 91.7 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 176.9 | -173.5 | -100.7 | 0 | 0 | 0 | 111.8 | Q944 D945 I946 R952 E957 R1017 L1018 R1021 T1024 | Q944-Y948 PolarHBondContact O-N 2.9Å; Q944-Y948 VanDerWaalsContact O-N 3.13Å; D945-Y948 CarbonylContact O-C 3.5Å; D945-Y948 WeakPolarHBondContact O-CA 3.16Å; D945-Y948 WeakPolarHBondContact O-CB 3.3Å; D945-Y948 PolarHBondContact O-N 3.09Å; D945-Y948 VanDerWaalsContact O-N 3.09Å; I946-Y948 VanDerWaalsContact C-N 3.28Å; I946-Y948 PolarHBondContact O-N 3.49Å; Y948-R952 HydrophobicContact CD2-CG 3.86Å; Y948-E957 WeakPolarHBondContact CE2-OE2 3.37Å; Y948-R1017 HydrophobicContact CE1-CG 4.28Å; Y948-R1017 WeakPolarHBondContact CE1-O 3.49Å; Y948-R1017 PolarHBondContact O-NH1 2.84Å; Y948-R1017 PolarHBondContact O-NH2 3.19Å; Y948-R1017 PolarHBondContact OH-O 3.22Å; Y948-L1018 HydrophobicContact CD1-CD2 4.22Å; Y948-L1018 HydrophobicContact CE1-CD2 4.2Å; Y948-R1021 HydrophobicContact CE1-CB 4.18Å; Y948-T1024 HydrophobicContact CD1-CG2 3.88Å |
| 949 | V | 96 | Very high | 91.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | -179.7 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | M941 D945 I946 G979 L980 L1018 T1024 L1027 I1061 | M941-V949 HydrophobicContact CE-CG2 3.44Å; M941-V949 VanDerWaalsContact CE-CG2 3.44Å; D945-V949 WeakPolarHBondContact O-CG2 3.4Å; D945-V949 PolarHBondContact O-N 3.2Å; I946-V949 PolarHBondContact O-N 3.2Å; V949-G979 CarbonylContact O-C 3.55Å; V949-G979 WeakPolarHBondContact O-CA 3.39Å; V949-L980 HydrophobicContact CG1-CD1 4.02Å; V949-L980 HydrophobicContact CG1-CG 4.27Å; V949-L980 PolarHBondContact O-N 2.84Å; V949-L1018 HydrophobicContact CB-CD2 4.41Å; V949-L1018 HydrophobicContact CG1-CD2 4.5Å; V949-L1018 HydrophobicContact CG2-CD2 3.87Å; V949-T1024 HydrophobicContact CG2-CG2 3.78Å; V949-L1027 HydrophobicContact CB-CD2 4.49Å; V949-L1027 HydrophobicContact CG1-CD2 3.86Å; V949-L1027 HydrophobicContact CG2-CD2 3.71Å; V949-I1061 HydrophobicContact CG1-CD1 3.59Å |
| 950 | L | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -89.6 | -41.1 | -170.7 | -63.5 | -173.8 | 0 | 0 | 0 | 113.4 | I946 G979 L980 Q981 Y1058 I1061 | I946-L950 HydrophobicContact CG2-CD1 3.75Å; I946-L950 HydrophobicContact CG2-CG 4.03Å; I946-L950 WeakPolarHBondContact O-CB 3.38Å; I946-L950 PolarHBondContact O-N 3.18Å; L950-G979 CarbonylContact O-C 3.5Å; L950-G979 WeakPolarHBondContact O-CA 3.34Å; L950-L980 HydrophobicContact CD2-CB 4.19Å; L950-L980 PolarHBondContact O-N 3.02Å; L950-Q981 WeakPolarHBondContact O-CA 3.27Å; L950-Q981 WeakPolarHBondContact O-CB 3.22Å; L950-Q981 PolarHBondContact O-N 3.02Å; L950-Y1058 HydrophobicContact CD2-CD2 3.63Å; L950-Y1058 HydrophobicContact CD2-CE2 3.86Å; L950-I1061 HydrophobicContact CD1-CG2 3.85Å; L950-I1061 HydrophobicContact CD2-CD1 4.32Å; L950-I1061 HydrophobicContact CD2-CG2 4.05Å; L950-I1061 HydrophobicContact CG-CG2 4.05Å |
| 951 | Y | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -115.7 | -113.8 | -164.9 | -64.3 | -77.9 | 0 | 0 | 0 | 112.4 | N947 Y977 C978 G979 Q981 L1083 L1086 A1087 | N947-Y951 PolarHBondContact O-N 3.3Å; Y951-Y977 HydrophobicContact CD1-CD1 4.12Å; Y951-Y977 AromaticContact CD1-CD2 3.91Å; Y951-Y977 HydrophobicContact CD1-CD2 3.91Å; Y951-Y977 AromaticContact CD1-CE1 3.95Å; Y951-Y977 HydrophobicContact CD1-CE1 3.95Å; Y951-Y977 AromaticContact CD1-CE2 3.71Å; Y951-Y977 HydrophobicContact CD1-CE2 3.71Å; Y951-Y977 HydrophobicContact CD1-CG 4.11Å; Y951-Y977 AromaticContact CD1-CZ 3.73Å; Y951-Y977 HydrophobicContact CE1-CE2 4.09Å; Y951-Y977 WeakPolarHBondContact O-CB 3.41Å; Y951-C978 PolarHBondContact O-N 2.72Å; Y951-G979 WeakPolarHBondContact O-CA 3.33Å; Y951-G979 PolarHBondContact O-N 2.77Å; Y951-Q981 HydrophobicContact CD1-CB 3.88Å; Y951-Q981 HydrophobicContact CD1-CG 3.95Å; Y951-Q981 HydrophobicContact CE1-CB 3.83Å; Y951-Q981 HydrophobicContact CE1-CG 3.5Å; Y951-Q981 VanDerWaalsContact CE1-CG 3.5Å; Y951-L1083 WeakPolarHBondContact CE2-O 3.2Å; Y951-L1083 VanDerWaalsContact OH-C 3.27Å; Y951-L1083 PolarHBondContact OH-O 2.92Å; Y951-L1086 HydrophobicContact CD2-CB 4.45Å; Y951-L1086 HydrophobicContact CE2-CB 4.03Å; Y951-L1086 HydrophobicContact CE2-CD2 4.41Å; Y951-A1087 HydrophobicContact CD1-CB 3.51Å; Y951-A1087 HydrophobicContact CD2-CB 4.06Å; Y951-A1087 HydrophobicContact CE1-CB 3.71Å; Y951-A1087 HydrophobicContact CE2-CB 4.27Å; Y951-A1087 HydrophobicContact CG-CB 3.68Å | ||
| 952 | R | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | trans | 56.7 | 104.1 | -168.3 | -56.8 | -64.1 | -69.6 | -158.8 | -10.5 | 112.8 | N947 Y948 E956 E957 D960 Y977 C978 H1091 | N947-R952 WeakPolarHBondContact OD1-CD 3.5Å; Y948-R952 HydrophobicContact CD2-CG 3.86Å; R952-E956 VanDerWaalsContact NH2-C 3.27Å; R952-E956 PolarHBondContact NH2-O 2.89Å; R952-E957 HydrophobicContact CB-CB 4.47Å; R952-E957 WeakPolarHBondContact CB-OE2 3.44Å; R952-E957 WeakPolarHBondContact CG-OE2 3.4Å; R952-D960 IonicContact CZ-OD2 3.99Å; R952-D960 IonicContact NH1-OD2 3.2Å; R952-D960 IonicContact NH2-OD1 2.86Å; R952-D960 IonicContact NH2-OD2 2.8Å; R952-D960 PolarHBondContact NH2-OD2 2.87Å; R952-Y977 WeakPolarHBondContact O-CA 3.25Å; R952-C978 HydrophobicContact CB-CB 4.36Å; R952-C978 PolarHBondContact O-N 3.48Å; R952-H1091 PolarHBondContact NH1-O 3.44Å | ||
| 953 | W | 95.6 | Very high | 92.8 | Very high | 69 Ų | 69 | 29 Ų | 29 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | B | Isolated β-bridge | trans | -66.8 | 151.3 | 163.5 | 178.7 | 70.4 | 0 | 0 | 0 | 110 | G955 E956 E957 L1128 P1129 A1132 W1541 | W953-G955 VanDerWaalsContact C-N 3.27Å; W953-G955 VanDerWaalsContact CE3-CA 3.46Å; W953-G955 PolarHBondContact O-N 3.49Å; W953-G955 VanDerWaalsContact O-N 3.14Å; W953-E956 HydrophobicContact CB-CG 4.37Å; W953-E956 PolarHBondContact N-OE2 3.03Å; W953-E956 WeakPolarHBondContact O-CB 3.16Å; W953-E956 PolarHBondContact O-N 3.49Å; W953-E957 PolarHBondContact O-N 2.78Å; W953-E957 VanDerWaalsContact O-N 3.08Å; W953-L1128 HydrophobicContact CB-CD1 4.37Å; W953-L1128 HydrophobicContact CB-CD2 4.45Å; W953-P1129 HydrophobicContact CD2-CB 3.86Å; W953-P1129 VanDerWaalsContact CE2-CB 3.43Å; W953-P1129 HydrophobicContact CE3-CB 4.29Å; W953-P1129 HydrophobicContact CG-CB 4.43Å; W953-P1129 HydrophobicContact CH2-CB 3.99Å; W953-P1129 HydrophobicContact CZ2-CB 3.54Å; W953-P1129 HydrophobicContact CZ3-CB 4.32Å; W953-A1132 HydrophobicContact CE3-CB 3.73Å; W953-A1132 HydrophobicContact CZ3-CB 4.09Å; W953-W1541 AromaticContact CD1-CH2 3.65Å; W953-W1541 AromaticContact CD1-CZ3 3.92Å; W953-W1541 HydrophobicContact CG-CH2 4.49Å; W953-W1541 HydrophobicContact CG-CZ3 4.5Å; W953-W1541 AromaticContact NE1-CH2 3.93Å |
| 954 | E | 95.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 27.4 Ų | 27.4 | 13% | 0.126 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.3 | -42.4 | -172.2 | -179.3 | 175.8 | 172.7 | 0 | 0 | 113 | E957 R958 A966 R974 | E954-E957 PolarHBondContact O-N 2.89Å; E954-R958 HydrophobicContact CG-CG 4.4Å; E954-R958 WeakPolarHBondContact O-CB 3.37Å; E954-R958 WeakPolarHBondContact O-CG 3.47Å; E954-R958 PolarHBondContact O-N 2.86Å; E954-R958 IonicContact OE1-CZ 3.95Å; E954-R958 IonicContact OE1-NE 3.27Å; E954-R958 PolarHBondContact OE1-NE 2.96Å; E954-R958 IonicContact OE1-NH2 2.86Å; E954-R958 PolarHBondContact OE1-NH2 2.76Å; E954-A966 HydrophobicContact CB-CB 4.2Å; E954-A966 HydrophobicContact CG-CB 4.49Å; E954-R974 VanDerWaalsContact CD-NH1 3.34Å; E954-R974 IonicContact OE1-CZ 2.86Å; E954-R974 IonicContact OE1-NH1 2.71Å; E954-R974 PolarHBondContact OE1-NH1 3.18Å; E954-R974 WeakPolarHBondContact OE2-CD 3.21Å; E954-R974 IonicContact OE2-CZ 2.63Å; E954-R974 IonicContact OE2-NH1 3.87Å; E954-R974 PolarHBondContact OE2-NH1 3.06Å |
| 955 | G | 94.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.6 | -33 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W953 E957 S959 T1133 | W953-G955 VanDerWaalsContact C-N 3.27Å; W953-G955 VanDerWaalsContact CE3-CA 3.46Å; W953-G955 PolarHBondContact O-N 3.49Å; W953-G955 VanDerWaalsContact O-N 3.14Å; G955-E957 VanDerWaalsContact C-N 3.33Å; G955-S959 WeakPolarHBondContact O-CB 3.5Å; G955-S959 PolarHBondContact O-N 3.1Å; G955-T1133 WeakPolarHBondContact O-CG2 3.19Å |
| 956 | E | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 171.9 | -60.1 | -177.9 | 107.7 | 0 | 0 | 110.1 | R952 W953 S959 D960 V1092 L1128 A1132 T1133 R1137 | R952-E956 VanDerWaalsContact NH2-C 3.27Å; R952-E956 PolarHBondContact NH2-O 2.89Å; W953-E956 HydrophobicContact CB-CG 4.37Å; W953-E956 PolarHBondContact N-OE2 3.03Å; W953-E956 WeakPolarHBondContact O-CB 3.16Å; W953-E956 PolarHBondContact O-N 3.49Å; E956-S959 WeakPolarHBondContact O-CB 3.41Å; E956-S959 PolarHBondContact O-N 2.81Å; E956-D960 PolarHBondContact O-N 2.89Å; E956-V1092 HydrophobicContact CB-CG2 4.21Å; E956-V1092 HydrophobicContact CG-CG2 4.27Å; E956-L1128 HydrophobicContact CG-CD2 4.45Å; E956-A1132 HydrophobicContact CG-CB 3.79Å; E956-T1133 HydrophobicContact CB-CG2 4.44Å; E956-T1133 HydrophobicContact CG-CG2 4.22Å; E956-R1137 IonicContact OE1-CZ 2.73Å; E956-R1137 IonicContact OE1-NH1 2.86Å; E956-R1137 PolarHBondContact OE1-NH1 2.91Å; E956-R1137 IonicContact OE1-NH2 3.8Å |
| 957 | E | 94.4 | Very high | 94 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | 178.6 | -165.9 | 118.7 | 121.5 | 0 | 0 | 112 | Y948 R952 W953 E954 G955 S959 D960 D961 A964 C978 R1017 | Y948-E957 WeakPolarHBondContact CE2-OE2 3.37Å; R952-E957 HydrophobicContact CB-CB 4.47Å; R952-E957 WeakPolarHBondContact CB-OE2 3.44Å; R952-E957 WeakPolarHBondContact CG-OE2 3.4Å; W953-E957 PolarHBondContact O-N 2.78Å; W953-E957 VanDerWaalsContact O-N 3.08Å; E954-E957 PolarHBondContact O-N 2.89Å; G955-E957 VanDerWaalsContact C-N 3.33Å; E957-S959 PolarHBondContact O-N 2.91Å; E957-D960 PolarHBondContact O-N 3.32Å; E957-D961 PolarHBondContact O-N 3.43Å; E957-A964 HydrophobicContact CG-CB 3.56Å; E957-C978 VanDerWaalsContact OE1-CB 3.25Å; E957-C978 WeakPolarHBondContact OE1-CB 3.4Å; E957-R1017 WeakPolarHBondContact OE1-CD 3.42Å; E957-R1017 IonicContact OE1-CZ 2.7Å; E957-R1017 IonicContact OE1-NE 3.24Å; E957-R1017 PolarHBondContact OE1-NE 3.36Å; E957-R1017 IonicContact OE1-NH2 2.85Å; E957-R1017 IonicContact OE2-CZ 2.6Å; E957-R1017 IonicContact OE2-NE 3.39Å; E957-R1017 PolarHBondContact OE2-NE 3.28Å; E957-R1017 IonicContact OE2-NH2 3.38Å; E957-R1017 PolarHBondContact OE2-NH2 3.09Å |
| 958 | R | 95.2 | Very high | 94.1 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 39% | 0.392 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.9 | -29.9 | 177.2 | -76 | -178.4 | -175.1 | -77.8 | -0.1 | 113.3 | E954 D960 D961 P962 A964 | E954-R958 HydrophobicContact CG-CG 4.4Å; E954-R958 WeakPolarHBondContact O-CB 3.37Å; E954-R958 WeakPolarHBondContact O-CG 3.47Å; E954-R958 PolarHBondContact O-N 2.86Å; E954-R958 IonicContact OE1-CZ 3.95Å; E954-R958 IonicContact OE1-NE 3.27Å; E954-R958 PolarHBondContact OE1-NE 2.96Å; E954-R958 IonicContact OE1-NH2 2.86Å; E954-R958 PolarHBondContact OE1-NH2 2.76Å; R958-D960 VanDerWaalsContact C-N 3.25Å; R958-D960 PolarHBondContact O-N 3.33Å; R958-D961 WeakPolarHBondContact CA-O 3.29Å; R958-D961 CarbonylContact O-C 3.59Å; R958-D961 VanDerWaalsContact O-C 3.29Å; R958-P962 PolarHBondContact NH1-O 2.89Å; R958-P962 VanDerWaalsContact O-CA 3.31Å; R958-P962 WeakPolarHBondContact O-CA 3.37Å; R958-A964 WeakPolarHBondContact CG-O 3.27Å; R958-A964 PolarHBondContact NH1-O 3.42Å; R958-A964 VanDerWaalsContact NH1-O 3.14Å |
| 959 | S | 93.2 | Very high | 94.3 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.3 | -30.9 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | G955 E956 E957 V1092 S1094 | G955-S959 WeakPolarHBondContact O-CB 3.5Å; G955-S959 PolarHBondContact O-N 3.1Å; E956-S959 WeakPolarHBondContact O-CB 3.41Å; E956-S959 PolarHBondContact O-N 2.81Å; E957-S959 PolarHBondContact O-N 2.91Å; S959-V1092 WeakPolarHBondContact OG-CG1 3.17Å; S959-S1094 WeakPolarHBondContact OG-CB 3.14Å; S959-S1094 PolarHBondContact OG-OG 3.42Å |
| 960 | D | 91 | Very high | 94.3 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -91.4 | -32.4 | -179.5 | -74.1 | 2.1 | 0 | 0 | 0 | 112.3 | R952 E956 E957 R958 K1093 | R952-D960 IonicContact CZ-OD2 3.99Å; R952-D960 IonicContact NH1-OD2 3.2Å; R952-D960 IonicContact NH2-OD1 2.86Å; R952-D960 IonicContact NH2-OD2 2.8Å; R952-D960 PolarHBondContact NH2-OD2 2.87Å; E956-D960 PolarHBondContact O-N 2.89Å; E957-D960 PolarHBondContact O-N 3.32Å; R958-D960 VanDerWaalsContact C-N 3.25Å; R958-D960 PolarHBondContact O-N 3.33Å; D960-K1093 HydrophobicContact CB-CD 4.34Å; D960-K1093 HydrophobicContact CB-CG 4.47Å; D960-K1093 PolarHBondContact O-NZ 3.25Å; D960-K1093 WeakPolarHBondContact OD1-CB 3.41Å; D960-K1093 WeakPolarHBondContact OD1-CG 3.23Å; D960-K1093 PolarHBondContact OD1-N 2.74Å |
| 961 | D | 91.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | trans | -144.4 | 102.4 | 175.4 | 175.8 | 2.8 | 0 | 0 | 0 | 109.7 | E957 R958 S963 A964 K1020 | E957-D961 PolarHBondContact O-N 3.43Å; R958-D961 WeakPolarHBondContact CA-O 3.29Å; R958-D961 CarbonylContact O-C 3.59Å; R958-D961 VanDerWaalsContact O-C 3.29Å; D961-S963 VanDerWaalsContact CG-OG 3.29Å; D961-S963 PolarHBondContact O-N 3.32Å; D961-S963 WeakPolarHBondContact OD1-CB 3.31Å; D961-S963 PolarHBondContact OD1-N 3.36Å; D961-S963 PolarHBondContact OD1-OG 3.01Å; D961-S963 PolarHBondContact OD2-OG 3.5Å; D961-A964 HydrophobicContact CB-CB 4Å; D961-A964 WeakPolarHBondContact O-CB 3.08Å; D961-A964 PolarHBondContact O-N 3.43Å; D961-K1020 IonicContact OD2-NZ 2.76Å; D961-K1020 PolarHBondContact OD2-NZ 3.22Å | ||
| 962 | P | 92.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 68% | 0.675 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21 | -178.1 | -28 | 35.7 | 0 | 0 | 0 | 115.2 | R958 | R958-P962 PolarHBondContact NH1-O 2.89Å; R958-P962 VanDerWaalsContact O-CA 3.31Å; R958-P962 WeakPolarHBondContact O-CA 3.37Å |
| 963 | S | 90.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.1 | 177.5 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | D961 | D961-S963 VanDerWaalsContact CG-OG 3.29Å; D961-S963 PolarHBondContact O-N 3.32Å; D961-S963 WeakPolarHBondContact OD1-CB 3.31Å; D961-S963 PolarHBondContact OD1-N 3.36Å; D961-S963 PolarHBondContact OD1-OG 3.01Å; D961-S963 PolarHBondContact OD2-OG 3.5Å |
| 964 | A | 90.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | trans | -86.5 | 175 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E957 R958 D961 | E957-A964 HydrophobicContact CG-CB 3.56Å; R958-A964 WeakPolarHBondContact CG-O 3.27Å; R958-A964 PolarHBondContact NH1-O 3.42Å; R958-A964 VanDerWaalsContact NH1-O 3.14Å; D961-A964 HydrophobicContact CB-CB 4Å; D961-A964 WeakPolarHBondContact O-CB 3.08Å; D961-A964 PolarHBondContact O-N 3.43Å | ||
| 965 | G | 92.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | trans | 165.2 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1013 | G965-Y1013 WeakPolarHBondContact O-CE2 3.45Å; G965-Y1013 PolarHBondContact O-OH 3.07Å | ||
| 966 | A | 95.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | trans | -70.4 | 146 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E954 L975 C978 | E954-A966 HydrophobicContact CB-CB 4.2Å; E954-A966 HydrophobicContact CG-CB 4.49Å; A966-L975 WeakPolarHBondContact CB-O 3.09Å; A966-C978 VanDerWaalsContact CA-SG 3.57Å; A966-C978 PolarHBondContact N-SG 2.95Å; A966-C978 VanDerWaalsContact N-SG 3.39Å | ||
| 967 | Y | 97.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | trans | -68.8 | 134.2 | 174.9 | -169.8 | -85.6 | 0 | 0 | 0 | 110.5 | I969 R974 L975 N1003 W1009 L1010 Y1013 | Y967-I969 HydrophobicContact CD1-CG1 3.83Å; Y967-I969 HydrophobicContact CE1-CG1 4.04Å; Y967-R974 WeakPolarHBondContact O-CA 3.39Å; Y967-L975 PolarHBondContact O-N 2.79Å; Y967-N1003 PolarHBondContact OH-ND2 3.07Å; Y967-N1003 PolarHBondContact OH-OD1 2.88Å; Y967-W1009 HydrophobicContact CE2-CB 4.24Å; Y967-L1010 HydrophobicContact CD1-CD1 3.88Å; Y967-L1010 HydrophobicContact CD2-CD1 3.92Å; Y967-L1010 HydrophobicContact CE1-CD1 4.24Å; Y967-L1010 HydrophobicContact CE2-CB 4.33Å; Y967-L1010 HydrophobicContact CE2-CD1 4.27Å; Y967-L1010 HydrophobicContact CG-CD1 3.72Å; Y967-Y1013 HydrophobicContact CD2-CD1 4.15Å; Y967-Y1013 HydrophobicContact CD2-CD2 4.03Å; Y967-Y1013 AromaticContact CD2-CG 3.72Å; Y967-Y1013 HydrophobicContact CD2-CG 3.72Å; Y967-Y1013 HydrophobicContact CG-CD1 4.48Å; Y967-Y1013 HydrophobicContact CG-CG 4.45Å | ||
| 968 | D | 96.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 112.7 | 177.1 | -165.2 | -3.9 | 0 | 0 | 0 | 110.1 | P970 G973 R974 | D968-P970 WeakPolarHBondContact O-CD 3.43Å; D968-G973 WeakPolarHBondContact OD1-CA 3.35Å; D968-R974 HydrophobicContact CB-CG 3.95Å |
| 969 | I | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.9 | 179.7 | -59.4 | 166.5 | 0 | 0 | 0 | 108 | Y967 N971 F972 G973 L975 P999 L1000 N1003 | Y967-I969 HydrophobicContact CD1-CG1 3.83Å; Y967-I969 HydrophobicContact CE1-CG1 4.04Å; I969-N971 PolarHBondContact O-N 3.11Å; I969-F972 HydrophobicContact CB-CB 3.91Å; I969-F972 HydrophobicContact CB-CD1 4.1Å; I969-F972 HydrophobicContact CB-CG 4.39Å; I969-F972 HydrophobicContact CD1-CD1 3.9Å; I969-F972 HydrophobicContact CD1-CE1 4.34Å; I969-F972 HydrophobicContact CG2-CB 3.78Å; I969-F972 HydrophobicContact CG2-CG 4.4Å; I969-F972 PolarHBondContact O-N 2.84Å; I969-G973 PolarHBondContact N-O 3.42Å; I969-G973 PolarHBondContact O-N 3.45Å; I969-L975 HydrophobicContact CD1-CD2 3.64Å; I969-L975 HydrophobicContact CD1-CG 4.3Å; I969-P999 HydrophobicContact CG2-CB 4.34Å; I969-L1000 HydrophobicContact CD1-CB 4.36Å; I969-L1000 HydrophobicContact CD1-CD1 3.78Å; I969-L1000 HydrophobicContact CD1-CG 4.5Å; I969-L1000 HydrophobicContact CG1-CD1 4.38Å; I969-N1003 HydrophobicContact CG2-CB 4.23Å |
| 970 | P | 96.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.2 | 179.1 | -25.5 | 34.7 | 0 | 0 | 0 | 112.2 | D968 F972 N1003 | D968-P970 WeakPolarHBondContact O-CD 3.43Å; P970-F972 PolarHBondContact O-N 3.11Å; P970-N1003 WeakPolarHBondContact CD-ND2 3.29Å |
| 971 | N | 94.4 | Very high | 94.9 | Very high | 151 Ų | 151 | 44.8 Ų | 44.8 | 81% | 0.807 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 21.2 | -176.5 | -51.8 | -38.3 | 0 | 0 | 0 | 115 | I969 | I969-N971 PolarHBondContact O-N 3.11Š|
| 972 | F | 94.6 | Very high | 95 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -51.8 | 177.4 | -176.9 | -98.4 | 0 | 0 | 0 | 111.7 | I969 P970 H986 H998 P999 | I969-F972 HydrophobicContact CB-CB 3.91Å; I969-F972 HydrophobicContact CB-CD1 4.1Å; I969-F972 HydrophobicContact CB-CG 4.39Å; I969-F972 HydrophobicContact CD1-CD1 3.9Å; I969-F972 HydrophobicContact CD1-CE1 4.34Å; I969-F972 HydrophobicContact CG2-CB 3.78Å; I969-F972 HydrophobicContact CG2-CG 4.4Å; I969-F972 PolarHBondContact O-N 2.84Å; P970-F972 PolarHBondContact O-N 3.11Å; F972-H986 AromaticContact CE1-CE1 3.92Å; F972-H986 AromaticContact CE1-NE2 3.82Å; F972-H986 AromaticContact CZ-CE1 3.4Å; F972-H986 VanDerWaalsContact CZ-CE1 3.4Å; F972-H986 WeakPolarHBondContact CZ-CE1 3.49Å; F972-H986 AromaticContact CZ-ND1 3.62Å; F972-H986 AromaticContact CZ-NE2 3.78Å; F972-H998 AromaticContact CD2-CE1 3.7Å; F972-H998 AromaticContact CD2-NE2 3.96Å; F972-H998 AromaticContact CE2-CE1 3.46Å; F972-H998 VanDerWaalsContact CE2-CE1 3.46Å; F972-H998 WeakPolarHBondContact CE2-CE1 3.47Å; F972-H998 AromaticContact CE2-NE2 3.45Å; F972-H998 WeakPolarHBondContact CE2-NE2 3.48Å; F972-P999 HydrophobicContact CB-CB 3.85Å; F972-P999 HydrophobicContact CB-CG 4.26Å; F972-P999 HydrophobicContact CD2-CG 4.34Å |
| 973 | G | 94.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.8 | -172.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D968 I969 | D968-G973 WeakPolarHBondContact OD1-CA 3.35Å; I969-G973 PolarHBondContact N-O 3.42Å; I969-G973 PolarHBondContact O-N 3.45Å |
| 974 | R | 95 | Very high | 95.4 | Very high | 135 Ų | 135 | 33.8 Ų | 33.8 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 143.3 | -176.3 | -63.8 | -175.7 | -173.9 | 178.5 | 4.1 | 112.3 | E954 Y967 D968 | E954-R974 VanDerWaalsContact CD-NH1 3.34Å; E954-R974 IonicContact OE1-CZ 2.86Å; E954-R974 IonicContact OE1-NH1 2.71Å; E954-R974 PolarHBondContact OE1-NH1 3.18Å; E954-R974 WeakPolarHBondContact OE2-CD 3.21Å; E954-R974 IonicContact OE2-CZ 2.63Å; E954-R974 IonicContact OE2-NH1 3.87Å; E954-R974 PolarHBondContact OE2-NH1 3.06Å; Y967-R974 WeakPolarHBondContact O-CA 3.39Å; D968-R974 HydrophobicContact CB-CG 3.95Å |
| 975 | L | 95.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | trans | -63.7 | 140.2 | 167.4 | -61.8 | 179.3 | 0 | 0 | 0 | 110.4 | A966 Y967 I969 Y977 L983 | A966-L975 WeakPolarHBondContact CB-O 3.09Å; Y967-L975 PolarHBondContact O-N 2.79Å; I969-L975 HydrophobicContact CD1-CD2 3.64Å; I969-L975 HydrophobicContact CD1-CG 4.3Å; L975-Y977 VanDerWaalsContact C-N 3.32Å; L975-Y977 VanDerWaalsContact CB-O 3.31Å; L975-Y977 WeakPolarHBondContact CB-O 3.23Å; L975-Y977 PolarHBondContact O-N 3.41Å; L975-L983 HydrophobicContact CD1-CD2 3.65Å; L975-L983 HydrophobicContact CD1-CG 3.93Å; L975-L983 HydrophobicContact CD2-CD2 4.07Å | ||
| 976 | I | 95.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -63.7 | -41 | 177.3 | -64.4 | -56.5 | 0 | 0 | 0 | 111.4 | P1540 W1541 | I976-P1540 HydrophobicContact CG1-CB 4.02Å; I976-P1540 HydrophobicContact CG1-CG 4.3Å; I976-W1541 HydrophobicContact CD1-CZ2 4.33Å; I976-W1541 HydrophobicContact CG2-CD2 3.43Å; I976-W1541 VanDerWaalsContact CG2-CD2 3.43Å; I976-W1541 HydrophobicContact CG2-CE3 3.48Å; I976-W1541 VanDerWaalsContact CG2-CE3 3.48Å; I976-W1541 HydrophobicContact CG2-CG 4.07Å; I976-W1541 HydrophobicContact CG2-CH2 3.86Å; I976-W1541 HydrophobicContact CG2-CZ2 3.83Å; I976-W1541 HydrophobicContact CG2-CZ3 3.68Å |
| 977 | Y | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -113.7 | 143.7 | 174.7 | -63.6 | -60.6 | 0 | 0 | 0 | 110.2 | Y951 R952 L975 G979 Q981 L1128 W1541 | Y951-Y977 HydrophobicContact CD1-CD1 4.12Å; Y951-Y977 AromaticContact CD1-CD2 3.91Å; Y951-Y977 HydrophobicContact CD1-CD2 3.91Å; Y951-Y977 AromaticContact CD1-CE1 3.95Å; Y951-Y977 HydrophobicContact CD1-CE1 3.95Å; Y951-Y977 AromaticContact CD1-CE2 3.71Å; Y951-Y977 HydrophobicContact CD1-CE2 3.71Å; Y951-Y977 HydrophobicContact CD1-CG 4.11Å; Y951-Y977 AromaticContact CD1-CZ 3.73Å; Y951-Y977 HydrophobicContact CE1-CE2 4.09Å; Y951-Y977 WeakPolarHBondContact O-CB 3.41Å; R952-Y977 WeakPolarHBondContact O-CA 3.25Å; L975-Y977 VanDerWaalsContact C-N 3.32Å; L975-Y977 VanDerWaalsContact CB-O 3.31Å; L975-Y977 WeakPolarHBondContact CB-O 3.23Å; L975-Y977 PolarHBondContact O-N 3.41Å; Y977-G979 VanDerWaalsContact C-N 3.27Å; Y977-Q981 HydrophobicContact CD2-CB 4.02Å; Y977-Q981 HydrophobicContact CD2-CG 3.87Å; Y977-Q981 HydrophobicContact CE2-CG 4.07Å; Y977-L1128 HydrophobicContact CE1-CD1 3.95Å; Y977-W1541 HydrophobicContact CE1-CE3 4.21Å; Y977-W1541 HydrophobicContact CE1-CZ3 4.4Å; Y977-W1541 VanDerWaalsContact CE2-O 3.3Å; Y977-W1541 WeakPolarHBondContact CE2-O 3.31Å; Y977-W1541 AromaticContact CZ-CE3 3.94Å; Y977-W1541 PolarHBondContact OH-O 3.19Å |
| 978 | C | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -70.4 | -26.5 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | Y951 R952 E957 A966 Y1013 | Y951-C978 PolarHBondContact O-N 2.72Å; R952-C978 HydrophobicContact CB-CB 4.36Å; R952-C978 PolarHBondContact O-N 3.48Å; E957-C978 VanDerWaalsContact OE1-CB 3.25Å; E957-C978 WeakPolarHBondContact OE1-CB 3.4Å; A966-C978 VanDerWaalsContact CA-SG 3.57Å; A966-C978 PolarHBondContact N-SG 2.95Å; A966-C978 VanDerWaalsContact N-SG 3.39Å; C978-Y1013 WeakPolarHBondContact CB-OH 3.49Å; C978-Y1013 WeakPolarHBondContact O-CE1 3.14Å; C978-Y1013 PolarHBondContact O-OH 3Å |
| 979 | G | 96.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -84 | -177.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | V949 L950 Y951 Y977 Q981 G982 | V949-G979 CarbonylContact O-C 3.55Å; V949-G979 WeakPolarHBondContact O-CA 3.39Å; L950-G979 CarbonylContact O-C 3.5Å; L950-G979 WeakPolarHBondContact O-CA 3.34Å; Y951-G979 WeakPolarHBondContact O-CA 3.33Å; Y951-G979 PolarHBondContact O-N 2.77Å; Y977-G979 VanDerWaalsContact C-N 3.27Å; G979-Q981 VanDerWaalsContact C-N 3.25Å; G979-Q981 PolarHBondContact O-N 3.26Å; G979-G982 PolarHBondContact O-N 3.18Å; G979-G982 VanDerWaalsContact O-N 3.12Å |
| 980 | L | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -27.6 | -172.9 | -57.2 | -176.8 | 0 | 0 | 0 | 113.7 | V949 L950 G982 L983 M984 I1014 F1031 V1054 V1057 Y1058 I1061 | V949-L980 HydrophobicContact CG1-CD1 4.02Å; V949-L980 HydrophobicContact CG1-CG 4.27Å; V949-L980 PolarHBondContact O-N 2.84Å; L950-L980 HydrophobicContact CD2-CB 4.19Å; L950-L980 PolarHBondContact O-N 3.02Å; L980-G982 PolarHBondContact O-N 3.42Å; L980-L983 WeakPolarHBondContact O-CB 3.48Å; L980-L983 PolarHBondContact O-N 2.93Å; L980-M984 WeakPolarHBondContact O-CG 3.27Å; L980-M984 PolarHBondContact O-N 3.32Å; L980-I1014 HydrophobicContact CD2-CD1 4.19Å; L980-I1014 HydrophobicContact CD2-CG1 4.42Å; L980-I1014 HydrophobicContact CD2-CG2 4.21Å; L980-F1031 HydrophobicContact CD1-CZ 4.11Å; L980-F1031 HydrophobicContact CD2-CZ 4.48Å; L980-V1054 HydrophobicContact CB-CG1 4.46Å; L980-V1054 HydrophobicContact CD2-CG1 4.16Å; L980-V1057 HydrophobicContact CD1-CG1 4.08Å; L980-Y1058 HydrophobicContact CB-CD2 4.32Å; L980-I1061 HydrophobicContact CD1-CD1 4.5Å |
| 981 | Q | 95.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.4 | -38.1 | 176.5 | -174.8 | 68.7 | 38.2 | 0 | 0 | 111.7 | L950 Y951 Y977 G979 L983 M984 H985 Y1058 F1542 | L950-Q981 WeakPolarHBondContact O-CA 3.27Å; L950-Q981 WeakPolarHBondContact O-CB 3.22Å; L950-Q981 PolarHBondContact O-N 3.02Å; Y951-Q981 HydrophobicContact CD1-CB 3.88Å; Y951-Q981 HydrophobicContact CD1-CG 3.95Å; Y951-Q981 HydrophobicContact CE1-CB 3.83Å; Y951-Q981 HydrophobicContact CE1-CG 3.5Å; Y951-Q981 VanDerWaalsContact CE1-CG 3.5Å; Y977-Q981 HydrophobicContact CD2-CB 4.02Å; Y977-Q981 HydrophobicContact CD2-CG 3.87Å; Y977-Q981 HydrophobicContact CE2-CG 4.07Å; G979-Q981 VanDerWaalsContact C-N 3.25Å; G979-Q981 PolarHBondContact O-N 3.26Å; Q981-L983 PolarHBondContact O-N 3.27Å; Q981-M984 PolarHBondContact O-N 2.75Å; Q981-H985 PolarHBondContact O-N 2.92Å; Q981-Y1058 VanDerWaalsContact OE1-CZ 3.27Å; Q981-Y1058 PolarHBondContact OE1-OH 3.18Å; Q981-F1542 HydrophobicContact CG-CB 4.32Å; Q981-F1542 VanDerWaalsContact NE2-CG 3.27Å |
| 982 | G | 94.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -29.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G979 L980 H986 | G979-G982 PolarHBondContact O-N 3.18Å; G979-G982 VanDerWaalsContact O-N 3.12Å; L980-G982 PolarHBondContact O-N 3.42Å; G982-H986 PolarHBondContact O-CD2 3.43Å; G982-H986 VanDerWaalsContact O-CD2 3.26Å |
| 983 | L | 96.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -85.3 | -42 | 174.8 | -67.2 | 170.2 | 0 | 0 | 0 | 112.4 | L975 L980 Q981 H985 H986 L987 L1000 L1010 I1014 F1050 | L975-L983 HydrophobicContact CD1-CD2 3.65Å; L975-L983 HydrophobicContact CD1-CG 3.93Å; L975-L983 HydrophobicContact CD2-CD2 4.07Å; L980-L983 WeakPolarHBondContact O-CB 3.48Å; L980-L983 PolarHBondContact O-N 2.93Å; Q981-L983 PolarHBondContact O-N 3.27Å; L983-H985 VanDerWaalsContact C-N 3.27Å; L983-H985 PolarHBondContact O-N 3.12Å; L983-H986 PolarHBondContact O-N 3.45Å; L983-L987 HydrophobicContact CB-CD1 3.92Å; L983-L987 HydrophobicContact CB-CG 4.37Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 WeakPolarHBondContact O-CG 3.38Å; L983-L987 PolarHBondContact O-N 3.08Å; L983-L1000 HydrophobicContact CD2-CD1 4.27Å; L983-L1000 HydrophobicContact CD2-CD2 4.28Å; L983-L1010 HydrophobicContact CD1-CD1 4.48Å; L983-L1010 HydrophobicContact CD1-CD2 4.41Å; L983-L1010 HydrophobicContact CD2-CD1 4.44Å; L983-L1010 HydrophobicContact CD2-CD2 3.93Å; L983-I1014 HydrophobicContact CD1-CD1 3.91Å; L983-F1050 HydrophobicContact CD1-CE1 4.25Å; L983-F1050 HydrophobicContact CD1-CZ 4.16Å |
| 984 | M | 94.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -34.6 | -171.6 | -74.9 | -48 | -59.8 | 0 | 0 | 114 | L980 Q981 H986 L987 T988 V1054 N1055 Y1058 | L980-M984 WeakPolarHBondContact O-CG 3.27Å; L980-M984 PolarHBondContact O-N 3.32Å; Q981-M984 PolarHBondContact O-N 2.75Å; M984-H986 VanDerWaalsContact C-N 3.29Å; M984-H986 PolarHBondContact O-N 3.05Å; M984-L987 HydrophobicContact SD-CD1 4.4Å; M984-T988 VanDerWaalsContact O-CB 3.27Å; M984-T988 WeakPolarHBondContact O-CB 3.5Å; M984-T988 PolarHBondContact O-N 2.61Å; M984-T988 PolarHBondContact O-OG1 3.48Å; M984-V1054 HydrophobicContact SD-CG1 3.82Å; M984-N1055 HydrophobicContact CE-CB 4.02Å; M984-N1055 WeakPolarHBondContact CE-OD1 3.3Å; M984-N1055 HydrophobicContact SD-CB 4.41Å; M984-Y1058 HydrophobicContact CB-CD2 4.45Å; M984-Y1058 HydrophobicContact CB-CE2 4.32Å; M984-Y1058 HydrophobicContact CE-CD1 4.26Å; M984-Y1058 HydrophobicContact CE-CG 4.44Å; M984-Y1058 HydrophobicContact CG-CD1 4.02Å; M984-Y1058 HydrophobicContact CG-CD2 3.41Å; M984-Y1058 VanDerWaalsContact CG-CD2 3.41Å; M984-Y1058 HydrophobicContact CG-CE1 4.31Å; M984-Y1058 HydrophobicContact CG-CE2 3.73Å; M984-Y1058 HydrophobicContact CG-CG 3.56Å; M984-Y1058 HydrophobicContact SD-CD1 4.49Å; M984-Y1058 HydrophobicContact SD-CD2 4.45Å; M984-Y1058 HydrophobicContact SD-CG 4.09Å |
| 985 | H | 90.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -45.4 | 173.7 | 178 | 83.6 | 0 | 0 | 0 | 111.9 | Q981 L983 R989 N1538 S1539 | Q981-H985 PolarHBondContact O-N 2.92Å; L983-H985 VanDerWaalsContact C-N 3.27Å; L983-H985 PolarHBondContact O-N 3.12Å; H985-R989 VanDerWaalsContact CE1-CZ 3.5Å; H985-R989 PolarHBondContact CE1-NH2 3.3Å; H985-R989 PolarHBondContact NE2-NH1 3.16Å; H985-N1538 PolarHBondContact CE1-O 3.08Å; H985-S1539 VanDerWaalsContact CE1-C 3.48Å; H985-S1539 PolarHBondContact CE1-O 3.04Å; H985-S1539 PolarHBondContact ND1-O 2.96Å |
| 986 | H | 94.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -78.5 | -48.6 | -179.6 | -58.3 | -61 | 0 | 0 | 0 | 111.5 | F972 G982 L983 M984 T988 R989 I990 L1000 | F972-H986 AromaticContact CE1-CE1 3.92Å; F972-H986 AromaticContact CE1-NE2 3.82Å; F972-H986 AromaticContact CZ-CE1 3.4Å; F972-H986 VanDerWaalsContact CZ-CE1 3.4Å; F972-H986 WeakPolarHBondContact CZ-CE1 3.49Å; F972-H986 AromaticContact CZ-ND1 3.62Å; F972-H986 AromaticContact CZ-NE2 3.78Å; G982-H986 PolarHBondContact O-CD2 3.43Å; G982-H986 VanDerWaalsContact O-CD2 3.26Å; L983-H986 PolarHBondContact O-N 3.45Å; M984-H986 VanDerWaalsContact C-N 3.29Å; M984-H986 PolarHBondContact O-N 3.05Å; H986-T988 VanDerWaalsContact C-N 3.28Å; H986-T988 PolarHBondContact O-N 3.23Å; H986-R989 PolarHBondContact O-N 3.43Å; H986-R989 VanDerWaalsContact O-N 3.09Å; H986-I990 HydrophobicContact CB-CD1 4.17Å; H986-I990 WeakPolarHBondContact O-CB 3.13Å; H986-I990 VanDerWaalsContact O-CG1 3.25Å; H986-I990 WeakPolarHBondContact O-CG1 3.25Å; H986-I990 PolarHBondContact O-N 3.21Å; H986-L1000 HydrophobicContact CB-CD2 4.46Å |
| 987 | L | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -38.4 | -177.6 | -72.6 | 178.6 | 0 | 0 | 0 | 112.6 | L983 M984 R989 I990 R991 L1000 F1050 E1051 V1054 | L983-L987 HydrophobicContact CB-CD1 3.92Å; L983-L987 HydrophobicContact CB-CG 4.37Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 WeakPolarHBondContact O-CG 3.38Å; L983-L987 PolarHBondContact O-N 3.08Å; M984-L987 HydrophobicContact SD-CD1 4.4Å; L987-R989 VanDerWaalsContact C-N 3.33Å; L987-R989 PolarHBondContact O-N 2.85Å; L987-I990 PolarHBondContact O-N 2.8Å; L987-R991 VanDerWaalsContact O-CB 3.29Å; L987-R991 WeakPolarHBondContact O-CB 3.1Å; L987-R991 PolarHBondContact O-N 2.98Å; L987-L1000 HydrophobicContact CD2-CD2 3.69Å; L987-L1000 HydrophobicContact CG-CD2 4.19Å; L987-F1050 HydrophobicContact CD1-CE1 4.38Å; L987-E1051 HydrophobicContact CB-CG 4.01Å; L987-E1051 HydrophobicContact CD1-CG 4.42Å; L987-E1051 HydrophobicContact CD2-CB 4.1Å; L987-E1051 HydrophobicContact CD2-CG 4.12Å; L987-E1051 HydrophobicContact CG-CG 4.41Å; L987-V1054 HydrophobicContact CD1-CB 4.11Å; L987-V1054 HydrophobicContact CD1-CG1 3.94Å |
| 988 | T | 89.3 | Confident | 93 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 34% | 0.344 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 178.4 | -59 | 0 | 0 | 0 | 0 | 111.9 | M984 H986 R992 | M984-T988 VanDerWaalsContact O-CB 3.27Å; M984-T988 WeakPolarHBondContact O-CB 3.5Å; M984-T988 PolarHBondContact O-N 2.61Å; M984-T988 PolarHBondContact O-OG1 3.48Å; H986-T988 VanDerWaalsContact C-N 3.28Å; H986-T988 PolarHBondContact O-N 3.23Å; T988-R992 WeakPolarHBondContact O-CB 3.45Å; T988-R992 PolarHBondContact O-N 3.36Å; T988-R992 VanDerWaalsContact O-N 3.1Å |
| 989 | R | 90.2 | Very high | 93 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -74.3 | -46.1 | 178.1 | -66.9 | 179.5 | 178.9 | 174.8 | 3.8 | 111.5 | H985 H986 L987 R991 R992 D993 Q1537 N1538 | H985-R989 VanDerWaalsContact CE1-CZ 3.5Å; H985-R989 PolarHBondContact CE1-NH2 3.3Å; H985-R989 PolarHBondContact NE2-NH1 3.16Å; H986-R989 PolarHBondContact O-N 3.43Å; H986-R989 VanDerWaalsContact O-N 3.09Å; L987-R989 VanDerWaalsContact C-N 3.33Å; L987-R989 PolarHBondContact O-N 2.85Å; R989-R991 VanDerWaalsContact C-N 3.28Å; R989-R991 PolarHBondContact O-N 3.49Å; R989-R992 PolarHBondContact O-N 3.08Å; R989-R992 VanDerWaalsContact O-N 3.12Å; R989-D993 WeakPolarHBondContact O-CB 3.38Å; R989-D993 PolarHBondContact O-N 3.27Å; R989-Q1537 PolarHBondContact NH2-O 2.66Å; R989-N1538 VanDerWaalsContact NH2-CA 3.31Å; R989-N1538 PolarHBondContact NH2-O 3.23Å |
| 990 | I | 93.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.2 | -46 | 177 | -68.6 | 166.1 | 0 | 0 | 0 | 110.2 | F637 H986 L987 N994 D995 H998 L1000 | F637-I990 HydrophobicContact CE1-CG2 4.31Å; F637-I990 HydrophobicContact CE2-CG2 3.47Å; F637-I990 VanDerWaalsContact CE2-CG2 3.47Å; F637-I990 HydrophobicContact CZ-CG2 3.33Å; H986-I990 HydrophobicContact CB-CD1 4.17Å; H986-I990 WeakPolarHBondContact O-CB 3.13Å; H986-I990 VanDerWaalsContact O-CG1 3.25Å; H986-I990 WeakPolarHBondContact O-CG1 3.25Å; H986-I990 PolarHBondContact O-N 3.21Å; L987-I990 PolarHBondContact O-N 2.8Å; I990-N994 CarbonylContact O-C 3.56Å; I990-N994 VanDerWaalsContact O-CA 3.23Å; I990-N994 WeakPolarHBondContact O-CA 3.41Å; I990-N994 PolarHBondContact O-N 3.37Å; I990-D995 PolarHBondContact O-N 3.05Å; I990-H998 HydrophobicContact CD1-CB 3.91Å; I990-H998 VanDerWaalsContact CD1-CG 3.49Å; I990-H998 WeakPolarHBondContact CD1-ND1 3.46Å; I990-H998 HydrophobicContact CG1-CB 3.95Å; I990-L1000 HydrophobicContact CD1-CB 4.23Å; I990-L1000 HydrophobicContact CD1-CD2 3.94Å |
| 991 | R | 90.4 | Very high | 93 | Very high | 75 Ų | 75 | 35.3 Ų | 35.3 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 175.2 | 179.6 | -178.1 | 68 | -163.4 | 4.7 | 112.1 | F637 L987 R989 D993 N994 E1051 N1055 | F637-R991 HydrophobicContact CB-CB 4.41Å; F637-R991 HydrophobicContact CB-CG 3.88Å; F637-R991 HydrophobicContact CD1-CB 4.31Å; F637-R991 HydrophobicContact CD1-CG 4.48Å; F637-R991 HydrophobicContact CG-CB 4.2Å; F637-R991 HydrophobicContact CG-CG 4.2Å; L987-R991 VanDerWaalsContact O-CB 3.29Å; L987-R991 WeakPolarHBondContact O-CB 3.1Å; L987-R991 PolarHBondContact O-N 2.98Å; R989-R991 VanDerWaalsContact C-N 3.28Å; R989-R991 PolarHBondContact O-N 3.49Å; R991-D993 VanDerWaalsContact C-N 3.31Å; R991-D993 PolarHBondContact O-N 3.49Å; R991-N994 PolarHBondContact O-N 2.83Å; R991-E1051 WeakPolarHBondContact CD-OE1 3.48Å; R991-E1051 IonicContact CZ-OE1 2.84Å; R991-E1051 IonicContact NE-OE1 3.24Å; R991-E1051 IonicContact NH1-OE1 3.58Å; R991-E1051 PolarHBondContact NH1-OE1 3.46Å; R991-N1055 VanDerWaalsContact NH1-CG 3.32Å; R991-N1055 PolarHBondContact NH1-ND2 3.12Å; R991-N1055 PolarHBondContact NH1-OD1 3.32Å |
| 992 | R | 84.7 | Confident | 93.1 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 44% | 0.438 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -43.5 | -178.1 | -177.8 | -166.9 | 67.8 | -162.1 | -5.4 | 111.7 | Y644 T988 R989 | Y644-R992 HydrophobicContact CD2-CG 4.3Å; T988-R992 WeakPolarHBondContact O-CB 3.45Å; T988-R992 PolarHBondContact O-N 3.36Å; T988-R992 VanDerWaalsContact O-N 3.1Å; R989-R992 PolarHBondContact O-N 3.08Å; R989-R992 VanDerWaalsContact O-N 3.12Å |
| 993 | D | 87.4 | Confident | 93.2 | Very high | 93 Ų | 93 | 38.1 Ų | 38.1 | 50% | 0.497 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -94.7 | 0.7 | -174.7 | -55.8 | -26 | 0 | 0 | 0 | 112.1 | R989 R991 D995 | R989-D993 WeakPolarHBondContact O-CB 3.38Å; R989-D993 PolarHBondContact O-N 3.27Å; R991-D993 VanDerWaalsContact C-N 3.31Å; R991-D993 PolarHBondContact O-N 3.49Å; D993-D995 PolarHBondContact O-N 3.3Å |
| 994 | N | 89.8 | Confident | 93.2 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 22% | 0.219 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.7 | -172.7 | -161.5 | 31.6 | 0 | 0 | 0 | 113.1 | S636 F637 I990 R991 L996 | S636-N994 PolarHBondContact OG-ND2 2.83Å; F637-N994 WeakPolarHBondContact CD2-OD1 3.33Å; F637-N994 PolarHBondContact N-OD1 3.24Å; I990-N994 CarbonylContact O-C 3.56Å; I990-N994 VanDerWaalsContact O-CA 3.23Å; I990-N994 WeakPolarHBondContact O-CA 3.41Å; I990-N994 PolarHBondContact O-N 3.37Å; R991-N994 PolarHBondContact O-N 2.83Å; N994-L996 VanDerWaalsContact C-N 3.28Å; N994-L996 PolarHBondContact O-N 2.84Å |
| 995 | D | 93.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | trans | -79.6 | 71.9 | -173.8 | -177.7 | 16.4 | 0 | 0 | 0 | 111.8 | I990 D993 G997 H998 | I990-D995 PolarHBondContact O-N 3.05Å; D993-D995 PolarHBondContact O-N 3.3Å; D995-G997 PolarHBondContact O-N 3.03Å; D995-G997 VanDerWaalsContact O-N 3.12Å; D995-G997 PolarHBondContact OD1-N 3.29Å; D995-G997 VanDerWaalsContact OD1-N 3.16Å; D995-H998 WeakPolarHBondContact O-CB 3.45Å; D995-H998 PolarHBondContact O-N 3.05Å; D995-H998 PolarHBondContact OD1-N 3.36Å; D995-H998 IonicContact OD2-CD2 2.84Å | ||
| 996 | L | 93.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.5 | 173.7 | -66.7 | 174.7 | 0 | 0 | 0 | 112.9 | P633 G635 F637 N994 H998 R1005 P1047 | P633-L996 HydrophobicContact CB-CD1 3.89Å; G635-L996 VanDerWaalsContact O-CD2 3.27Å; G635-L996 WeakPolarHBondContact O-CD2 2.92Å; F637-L996 HydrophobicContact CD2-CD2 4.28Å; F637-L996 HydrophobicContact CE2-CD2 3.69Å; F637-L996 HydrophobicContact CE2-CG 4.43Å; F637-L996 HydrophobicContact CZ-CD2 4.21Å; N994-L996 VanDerWaalsContact C-N 3.28Å; N994-L996 PolarHBondContact O-N 2.84Å; L996-H998 VanDerWaalsContact C-N 3.31Å; L996-R1005 PolarHBondContact O-NH1 3.48Å; L996-R1005 PolarHBondContact O-NH2 3.44Å; L996-P1047 HydrophobicContact CD2-CB 4.49Å |
| 997 | G | 94.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 46 Ų | 46 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D995 | D995-G997 PolarHBondContact O-N 3.03Å; D995-G997 VanDerWaalsContact O-N 3.12Å; D995-G997 PolarHBondContact OD1-N 3.29Å; D995-G997 VanDerWaalsContact OD1-N 3.16Å |
| 998 | H | 96.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -62.3 | 140.1 | -178.1 | -165 | -87.7 | 0 | 0 | 0 | 112.1 | F972 I990 D995 L996 L1000 C1001 D1002 | F972-H998 AromaticContact CD2-CE1 3.7Å; F972-H998 AromaticContact CD2-NE2 3.96Å; F972-H998 AromaticContact CE2-CE1 3.46Å; F972-H998 VanDerWaalsContact CE2-CE1 3.46Å; F972-H998 WeakPolarHBondContact CE2-CE1 3.47Å; F972-H998 AromaticContact CE2-NE2 3.45Å; F972-H998 WeakPolarHBondContact CE2-NE2 3.48Å; I990-H998 HydrophobicContact CD1-CB 3.91Å; I990-H998 VanDerWaalsContact CD1-CG 3.49Å; I990-H998 WeakPolarHBondContact CD1-ND1 3.46Å; I990-H998 HydrophobicContact CG1-CB 3.95Å; D995-H998 WeakPolarHBondContact O-CB 3.45Å; D995-H998 PolarHBondContact O-N 3.05Å; D995-H998 PolarHBondContact OD1-N 3.36Å; D995-H998 IonicContact OD2-CD2 2.84Å; L996-H998 VanDerWaalsContact C-N 3.31Å; H998-L1000 VanDerWaalsContact ND1-CB 3.28Å; H998-L1000 WeakPolarHBondContact ND1-CB 3.34Å; H998-L1000 PolarHBondContact ND1-N 3.05Å; H998-L1000 VanDerWaalsContact ND1-N 3.14Å; H998-L1000 PolarHBondContact O-N 3.4Å; H998-C1001 WeakPolarHBondContact O-CA 3.34Å; H998-C1001 WeakPolarHBondContact O-CB 3.37Å; H998-C1001 PolarHBondContact O-N 3.05Å; H998-D1002 PolarHBondContact O-N 2.84Å |
| 999 | P | 97.2 | Very high | 93.8 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.2 | -30 | 178.8 | -29.4 | 35.4 | 0 | 0 | 0 | 115 | I969 F972 D1002 N1003 | I969-P999 HydrophobicContact CG2-CB 4.34Å; F972-P999 HydrophobicContact CB-CB 3.85Å; F972-P999 HydrophobicContact CB-CG 4.26Å; F972-P999 HydrophobicContact CD2-CG 4.34Å; P999-D1002 WeakPolarHBondContact O-CB 3.49Å; P999-D1002 PolarHBondContact O-N 2.92Å; P999-N1003 WeakPolarHBondContact O-CB 3.47Å; P999-N1003 PolarHBondContact O-N 3.27Å |
| 1000 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 172.2 | 178.6 | 56.3 | 0 | 0 | 0 | 111.9 | I969 L983 H986 L987 I990 H998 D1002 N1003 I1004 L1010 | I969-L1000 HydrophobicContact CD1-CB 4.36Å; I969-L1000 HydrophobicContact CD1-CD1 3.78Å; I969-L1000 HydrophobicContact CD1-CG 4.5Å; I969-L1000 HydrophobicContact CG1-CD1 4.38Å; L983-L1000 HydrophobicContact CD2-CD1 4.27Å; L983-L1000 HydrophobicContact CD2-CD2 4.28Å; H986-L1000 HydrophobicContact CB-CD2 4.46Å; L987-L1000 HydrophobicContact CD2-CD2 3.69Å; L987-L1000 HydrophobicContact CG-CD2 4.19Å; I990-L1000 HydrophobicContact CD1-CB 4.23Å; I990-L1000 HydrophobicContact CD1-CD2 3.94Å; H998-L1000 VanDerWaalsContact ND1-CB 3.28Å; H998-L1000 WeakPolarHBondContact ND1-CB 3.34Å; H998-L1000 PolarHBondContact ND1-N 3.05Å; H998-L1000 VanDerWaalsContact ND1-N 3.14Å; H998-L1000 PolarHBondContact O-N 3.4Å; L1000-D1002 VanDerWaalsContact C-N 3.31Å; L1000-D1002 PolarHBondContact O-N 3.12Å; L1000-N1003 PolarHBondContact O-N 2.61Å; L1000-I1004 HydrophobicContact CD1-CD1 3.95Å; L1000-I1004 HydrophobicContact CD1-CG1 4.31Å; L1000-I1004 HydrophobicContact CG-CD1 3.93Å; L1000-I1004 WeakPolarHBondContact O-CD1 3.08Å; L1000-I1004 VanDerWaalsContact O-CG1 3.27Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.43Å; L1000-I1004 PolarHBondContact O-N 3.18Å; L1000-L1010 HydrophobicContact CD1-CD2 3.6Å |
| 1001 | C | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | H998 I1004 R1005 P1047 | H998-C1001 WeakPolarHBondContact O-CA 3.34Å; H998-C1001 WeakPolarHBondContact O-CB 3.37Å; H998-C1001 PolarHBondContact O-N 3.05Å; C1001-I1004 PolarHBondContact O-N 2.69Å; C1001-R1005 WeakPolarHBondContact O-CG 3.36Å; C1001-R1005 PolarHBondContact O-N 2.71Å; C1001-P1047 HydrophobicContact CB-CB 4.13Å; C1001-P1047 HydrophobicContact CB-CG 4.14Å |
| 1002 | D | 95.9 | Very high | 94.7 | Very high | 59 Ų | 59 | 47 Ų | 47 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.7 | -85.3 | -4.6 | 0 | 0 | 0 | 112.9 | H998 P999 L1000 R1005 K1006 | H998-D1002 PolarHBondContact O-N 2.84Å; P999-D1002 WeakPolarHBondContact O-CB 3.49Å; P999-D1002 PolarHBondContact O-N 2.92Å; L1000-D1002 VanDerWaalsContact C-N 3.31Å; L1000-D1002 PolarHBondContact O-N 3.12Å; D1002-R1005 PolarHBondContact O-N 2.9Å; D1002-R1005 IonicContact OD1-CZ 2.77Å; D1002-R1005 IonicContact OD1-NE 3.57Å; D1002-R1005 IonicContact OD1-NH2 3.71Å; D1002-R1005 PolarHBondContact OD1-NH2 2.96Å; D1002-K1006 WeakPolarHBondContact O-CB 3.5Å; D1002-K1006 VanDerWaalsContact O-CG 3.24Å; D1002-K1006 WeakPolarHBondContact O-CG 2.93Å; D1002-K1006 PolarHBondContact O-N 3.21Å |
| 1003 | N | 97.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 175 | 176.6 | -96.5 | 0 | 0 | 0 | 111.1 | Y967 I969 P970 P999 L1000 R1005 K1006 G1007 | Y967-N1003 PolarHBondContact OH-ND2 3.07Å; Y967-N1003 PolarHBondContact OH-OD1 2.88Å; I969-N1003 HydrophobicContact CG2-CB 4.23Å; P970-N1003 WeakPolarHBondContact CD-ND2 3.29Å; P999-N1003 WeakPolarHBondContact O-CB 3.47Å; P999-N1003 PolarHBondContact O-N 3.27Å; L1000-N1003 PolarHBondContact O-N 2.61Å; N1003-R1005 VanDerWaalsContact C-N 3.35Å; N1003-R1005 PolarHBondContact O-N 2.78Å; N1003-K1006 PolarHBondContact O-N 2.71Å; N1003-G1007 PolarHBondContact O-N 3.02Å |
| 1004 | I | 97.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 178.8 | -69.1 | 163.5 | 0 | 0 | 0 | 112 | L1000 C1001 L1010 Y1038 K1046 P1047 F1050 | L1000-I1004 HydrophobicContact CD1-CD1 3.95Å; L1000-I1004 HydrophobicContact CD1-CG1 4.31Å; L1000-I1004 HydrophobicContact CG-CD1 3.93Å; L1000-I1004 WeakPolarHBondContact O-CD1 3.08Å; L1000-I1004 VanDerWaalsContact O-CG1 3.27Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.43Å; L1000-I1004 PolarHBondContact O-N 3.18Å; C1001-I1004 PolarHBondContact O-N 2.69Å; I1004-L1010 HydrophobicContact CG1-CD2 4.36Å; I1004-Y1038 WeakPolarHBondContact CG2-OH 3.29Å; I1004-K1046 HydrophobicContact CG2-CB 3.81Å; I1004-P1047 HydrophobicContact CG2-CG 4.2Å; I1004-F1050 HydrophobicContact CD1-CB 4.21Å; I1004-F1050 HydrophobicContact CD1-CD1 3.51Å; I1004-F1050 HydrophobicContact CD1-CE1 4.03Å; I1004-F1050 HydrophobicContact CD1-CG 3.87Å; I1004-F1050 HydrophobicContact CG1-CD1 4.33Å; I1004-F1050 HydrophobicContact CG1-CG 4.34Å; I1004-F1050 HydrophobicContact CG2-CB 4.2Å |
| 1005 | R | 94 | Very high | 96.2 | Very high | 62 Ų | 62 | 38 Ų | 38 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 176.5 | -76.5 | -169.4 | -74.2 | -109.7 | -2.2 | 112.5 | L996 C1001 D1002 N1003 G1007 Y1043 P1047 | L996-R1005 PolarHBondContact O-NH1 3.48Å; L996-R1005 PolarHBondContact O-NH2 3.44Å; C1001-R1005 WeakPolarHBondContact O-CG 3.36Å; C1001-R1005 PolarHBondContact O-N 2.71Å; D1002-R1005 PolarHBondContact O-N 2.9Å; D1002-R1005 IonicContact OD1-CZ 2.77Å; D1002-R1005 IonicContact OD1-NE 3.57Å; D1002-R1005 IonicContact OD1-NH2 3.71Å; D1002-R1005 PolarHBondContact OD1-NH2 2.96Å; N1003-R1005 VanDerWaalsContact C-N 3.35Å; N1003-R1005 PolarHBondContact O-N 2.78Å; R1005-G1007 VanDerWaalsContact C-N 3.35Å; R1005-Y1043 HydrophobicContact CB-CD2 4.4Å; R1005-Y1043 HydrophobicContact CG-CD2 4.36Å; R1005-Y1043 WeakPolarHBondContact CG-O 3.31Å; R1005-P1047 HydrophobicContact CG-CG 3.7Å |
| 1006 | K | 93.9 | Very high | 96.4 | Very high | 144 Ų | 144 | 39.2 Ų | 39.2 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -72.6 | -25.7 | -176.2 | -75.4 | 172.3 | -176.5 | 171.7 | 0 | 113.1 | D1002 N1003 W1009 | D1002-K1006 WeakPolarHBondContact O-CB 3.5Å; D1002-K1006 VanDerWaalsContact O-CG 3.24Å; D1002-K1006 WeakPolarHBondContact O-CG 2.93Å; D1002-K1006 PolarHBondContact O-N 3.21Å; N1003-K1006 PolarHBondContact O-N 2.71Å; K1006-W1009 VanDerWaalsContact C-CH2 3.42Å; K1006-W1009 VanDerWaalsContact C-CZ3 3.43Å; K1006-W1009 HydrophobicContact CB-CH2 3.89Å; K1006-W1009 HydrophobicContact CB-CZ3 3.74Å; K1006-W1009 VanDerWaalsContact O-CH2 3.25Å; K1006-W1009 WeakPolarHBondContact O-CH2 3.39Å |
| 1007 | G | 94.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | trans | 176.6 | 169.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1003 R1005 W1009 | N1003-G1007 PolarHBondContact O-N 3.02Å; R1005-G1007 VanDerWaalsContact C-N 3.35Å; G1007-W1009 VanDerWaalsContact C-N 3.29Å; G1007-W1009 PolarHBondContact O-N 2.8Å | ||
| 1008 | D | 95.5 | Very high | 96.6 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -90.8 | 16.5 | -170.5 | -56.5 | -61.3 | 0 | 0 | 0 | 113.8 | L1010 A1011 D1012 K1039 K1046 | D1008-L1010 VanDerWaalsContact C-N 3.28Å; D1008-L1010 PolarHBondContact O-N 3.12Å; D1008-A1011 WeakPolarHBondContact O-CB 3.34Å; D1008-A1011 PolarHBondContact O-N 3.37Å; D1008-A1011 VanDerWaalsContact O-N 3.11Å; D1008-D1012 PolarHBondContact O-N 3.21Å; D1008-K1039 HydrophobicContact CB-CD 4.47Å; D1008-K1039 HydrophobicContact CB-CG 4.19Å; D1008-K1046 VanDerWaalsContact CG-NZ 3.29Å; D1008-K1046 IonicContact OD1-NZ 2.66Å; D1008-K1046 PolarHBondContact OD1-NZ 2.95Å; D1008-K1046 IonicContact OD2-NZ 3.54Å; D1008-K1046 PolarHBondContact OD2-NZ 2.7Å; D1008-K1046 VanDerWaalsContact OD2-NZ 3.1Å |
| 1009 | W | 97.4 | Very high | 96.6 | Very high | 140 Ų | 140 | 37.9 Ų | 37.9 | 53% | 0.53 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -36.5 | -172 | -51.7 | -75.3 | 0 | 0 | 0 | 113.2 | Y967 K1006 G1007 D1012 Y1013 | Y967-W1009 HydrophobicContact CE2-CB 4.24Å; K1006-W1009 VanDerWaalsContact C-CH2 3.42Å; K1006-W1009 VanDerWaalsContact C-CZ3 3.43Å; K1006-W1009 HydrophobicContact CB-CH2 3.89Å; K1006-W1009 HydrophobicContact CB-CZ3 3.74Å; K1006-W1009 VanDerWaalsContact O-CH2 3.25Å; K1006-W1009 WeakPolarHBondContact O-CH2 3.39Å; G1007-W1009 VanDerWaalsContact C-N 3.29Å; G1007-W1009 PolarHBondContact O-N 2.8Å; W1009-D1012 PolarHBondContact O-N 3.04Å; W1009-Y1013 WeakPolarHBondContact O-CB 3.45Å; W1009-Y1013 PolarHBondContact O-N 3.08Å |
| 1010 | L | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.8 | -38.2 | 178.8 | -177.2 | 60.5 | 0 | 0 | 0 | 111.8 | Y967 L983 L1000 I1004 D1008 Y1013 I1014 F1050 | Y967-L1010 HydrophobicContact CD1-CD1 3.88Å; Y967-L1010 HydrophobicContact CD2-CD1 3.92Å; Y967-L1010 HydrophobicContact CE1-CD1 4.24Å; Y967-L1010 HydrophobicContact CE2-CB 4.33Å; Y967-L1010 HydrophobicContact CE2-CD1 4.27Å; Y967-L1010 HydrophobicContact CG-CD1 3.72Å; L983-L1010 HydrophobicContact CD1-CD1 4.48Å; L983-L1010 HydrophobicContact CD1-CD2 4.41Å; L983-L1010 HydrophobicContact CD2-CD1 4.44Å; L983-L1010 HydrophobicContact CD2-CD2 3.93Å; L1000-L1010 HydrophobicContact CD1-CD2 3.6Å; I1004-L1010 HydrophobicContact CG1-CD2 4.36Å; D1008-L1010 VanDerWaalsContact C-N 3.28Å; D1008-L1010 PolarHBondContact O-N 3.12Å; L1010-Y1013 HydrophobicContact CD1-CD1 4.26Å; L1010-Y1013 WeakPolarHBondContact O-CB 3.46Å; L1010-Y1013 PolarHBondContact O-N 3.5Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.48Å; L1010-I1014 PolarHBondContact O-N 2.55Å; L1010-F1050 HydrophobicContact CB-CZ 4.47Å; L1010-F1050 HydrophobicContact CD2-CE1 3.75Å; L1010-F1050 HydrophobicContact CD2-CE2 4.19Å; L1010-F1050 HydrophobicContact CD2-CZ 3.42Å; L1010-F1050 VanDerWaalsContact CD2-CZ 3.42Å; L1010-F1050 HydrophobicContact CG-CE1 4.46Å; L1010-F1050 HydrophobicContact CG-CE2 4.14Å; L1010-F1050 HydrophobicContact CG-CZ 3.64Å |
| 1011 | A | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1008 T1015 F1035 F1050 | D1008-A1011 WeakPolarHBondContact O-CB 3.34Å; D1008-A1011 PolarHBondContact O-N 3.37Å; D1008-A1011 VanDerWaalsContact O-N 3.11Å; A1011-T1015 WeakPolarHBondContact O-CB 3.4Å; A1011-T1015 PolarHBondContact O-N 2.81Å; A1011-T1015 VanDerWaalsContact O-N 3.1Å; A1011-T1015 PolarHBondContact O-OG1 3.18Å; A1011-F1035 HydrophobicContact CB-CB 4.21Å; A1011-F1035 HydrophobicContact CB-CD1 3.66Å; A1011-F1035 HydrophobicContact CB-CD2 3.78Å; A1011-F1035 HydrophobicContact CB-CE1 3.86Å; A1011-F1035 HydrophobicContact CB-CE2 3.93Å; A1011-F1035 HydrophobicContact CB-CG 3.64Å; A1011-F1035 HydrophobicContact CB-CZ 3.99Å; A1011-F1050 HydrophobicContact CB-CE2 4.39Å |
| 1012 | D | 97.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.9 | -71.9 | -26.8 | 0 | 0 | 0 | 111.9 | D1008 W1009 T1015 N1016 K1039 | D1008-D1012 PolarHBondContact O-N 3.21Å; W1009-D1012 PolarHBondContact O-N 3.04Å; D1012-T1015 PolarHBondContact O-N 3.03Å; D1012-N1016 VanDerWaalsContact O-CB 3.24Å; D1012-N1016 WeakPolarHBondContact O-CB 3.45Å; D1012-N1016 PolarHBondContact O-N 3.5Å; D1012-N1016 PolarHBondContact O-ND2 2.73Å; D1012-K1039 IonicContact OD1-NZ 2.83Å; D1012-K1039 PolarHBondContact OD1-NZ 3.44Å; D1012-K1039 IonicContact OD2-NZ 3.86Å; D1012-K1039 PolarHBondContact OD2-NZ 3.02Å |
| 1013 | Y | 97.7 | Very high | 95 | Very high | 47 Ų | 47 | 48 Ų | 48 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 174.5 | 170.2 | -96.1 | 0 | 0 | 0 | 111.4 | G965 Y967 C978 W1009 L1010 T1015 R1017 | G965-Y1013 WeakPolarHBondContact O-CE2 3.45Å; G965-Y1013 PolarHBondContact O-OH 3.07Å; Y967-Y1013 HydrophobicContact CD2-CD1 4.15Å; Y967-Y1013 HydrophobicContact CD2-CD2 4.03Å; Y967-Y1013 AromaticContact CD2-CG 3.72Å; Y967-Y1013 HydrophobicContact CD2-CG 3.72Å; Y967-Y1013 HydrophobicContact CG-CD1 4.48Å; Y967-Y1013 HydrophobicContact CG-CG 4.45Å; C978-Y1013 WeakPolarHBondContact CB-OH 3.49Å; C978-Y1013 WeakPolarHBondContact O-CE1 3.14Å; C978-Y1013 PolarHBondContact O-OH 3Å; W1009-Y1013 WeakPolarHBondContact O-CB 3.45Å; W1009-Y1013 PolarHBondContact O-N 3.08Å; L1010-Y1013 HydrophobicContact CD1-CD1 4.26Å; L1010-Y1013 WeakPolarHBondContact O-CB 3.46Å; L1010-Y1013 PolarHBondContact O-N 3.5Å; Y1013-T1015 PolarHBondContact O-N 2.87Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.41Å; Y1013-R1017 PolarHBondContact O-N 3.37Å |
| 1014 | I | 98 | Very high | 94.8 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 178.6 | -67.5 | 166.3 | 0 | 0 | 0 | 110.4 | L980 L983 L1010 R1017 L1018 F1031 F1035 F1050 V1054 | L980-I1014 HydrophobicContact CD2-CD1 4.19Å; L980-I1014 HydrophobicContact CD2-CG1 4.42Å; L980-I1014 HydrophobicContact CD2-CG2 4.21Å; L983-I1014 HydrophobicContact CD1-CD1 3.91Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.48Å; L1010-I1014 PolarHBondContact O-N 2.55Å; I1014-R1017 PolarHBondContact O-N 3.26Å; I1014-L1018 HydrophobicContact CG2-CD1 4.14Å; I1014-L1018 WeakPolarHBondContact O-CG 3.36Å; I1014-L1018 PolarHBondContact O-N 2.78Å; I1014-L1018 VanDerWaalsContact O-N 3.16Å; I1014-F1031 HydrophobicContact CG2-CD1 4.25Å; I1014-F1031 HydrophobicContact CG2-CD2 4.16Å; I1014-F1031 HydrophobicContact CG2-CE1 4.26Å; I1014-F1031 HydrophobicContact CG2-CE2 4.17Å; I1014-F1031 HydrophobicContact CG2-CG 4.18Å; I1014-F1031 HydrophobicContact CG2-CZ 4.22Å; I1014-F1035 HydrophobicContact CB-CE2 4.32Å; I1014-F1035 HydrophobicContact CD1-CE2 4.44Å; I1014-F1035 HydrophobicContact CD1-CZ 4.37Å; I1014-F1035 HydrophobicContact CG2-CE2 4.3Å; I1014-F1050 HydrophobicContact CD1-CE2 4.11Å; I1014-F1050 HydrophobicContact CD1-CZ 3.74Å; I1014-V1054 HydrophobicContact CD1-CG2 4.34Å |
| 1015 | T | 97.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -53.2 | -177.5 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | A1011 D1012 Y1013 R1017 L1018 L1019 F1035 | A1011-T1015 WeakPolarHBondContact O-CB 3.4Å; A1011-T1015 PolarHBondContact O-N 2.81Å; A1011-T1015 VanDerWaalsContact O-N 3.1Å; A1011-T1015 PolarHBondContact O-OG1 3.18Å; D1012-T1015 PolarHBondContact O-N 3.03Å; Y1013-T1015 PolarHBondContact O-N 2.87Å; T1015-R1017 VanDerWaalsContact C-N 3.31Å; T1015-R1017 PolarHBondContact O-N 2.88Å; T1015-L1018 PolarHBondContact O-N 3.48Å; T1015-L1019 HydrophobicContact CG2-CD1 3.9Å; T1015-L1019 HydrophobicContact CG2-CG 4.48Å; T1015-L1019 WeakPolarHBondContact O-CG 3.48Å; T1015-L1019 PolarHBondContact O-N 3.01Å; T1015-F1035 WeakPolarHBondContact OG1-CD2 3.39Å |
| 1016 | N | 97 | Very high | 94.7 | Very high | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.8 | -37.4 | -176.6 | -70.6 | -38.6 | 0 | 0 | 0 | 111.7 | D1012 L1018 L1019 K1020 | D1012-N1016 VanDerWaalsContact O-CB 3.24Å; D1012-N1016 WeakPolarHBondContact O-CB 3.45Å; D1012-N1016 PolarHBondContact O-N 3.5Å; D1012-N1016 PolarHBondContact O-ND2 2.73Å; N1016-L1018 PolarHBondContact O-N 3.24Å; N1016-L1019 PolarHBondContact O-N 2.76Å; N1016-K1020 WeakPolarHBondContact O-CG 3.4Å; N1016-K1020 PolarHBondContact O-N 3.34Å |
| 1017 | R | 96.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -45 | 175.6 | -179.9 | 179.1 | 178.6 | -87.9 | -12.4 | 112.1 | Y948 E957 Y1013 I1014 T1015 | Y948-R1017 HydrophobicContact CE1-CG 4.28Å; Y948-R1017 WeakPolarHBondContact CE1-O 3.49Å; Y948-R1017 PolarHBondContact O-NH1 2.84Å; Y948-R1017 PolarHBondContact O-NH2 3.19Å; Y948-R1017 PolarHBondContact OH-O 3.22Å; E957-R1017 WeakPolarHBondContact OE1-CD 3.42Å; E957-R1017 IonicContact OE1-CZ 2.7Å; E957-R1017 IonicContact OE1-NE 3.24Å; E957-R1017 PolarHBondContact OE1-NE 3.36Å; E957-R1017 IonicContact OE1-NH2 2.85Å; E957-R1017 IonicContact OE2-CZ 2.6Å; E957-R1017 IonicContact OE2-NE 3.39Å; E957-R1017 PolarHBondContact OE2-NE 3.28Å; E957-R1017 IonicContact OE2-NH2 3.38Å; E957-R1017 PolarHBondContact OE2-NH2 3.09Å; Y1013-R1017 WeakPolarHBondContact O-CB 3.41Å; Y1013-R1017 PolarHBondContact O-N 3.37Å; I1014-R1017 PolarHBondContact O-N 3.26Å; T1015-R1017 VanDerWaalsContact C-N 3.31Å; T1015-R1017 PolarHBondContact O-N 2.88Å |
| 1018 | L | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.3 | -28.5 | -178.3 | -64.6 | 179.1 | 0 | 0 | 0 | 113.3 | Y948 V949 I1014 T1015 N1016 K1020 T1024 L1027 F1031 | Y948-L1018 HydrophobicContact CD1-CD2 4.22Å; Y948-L1018 HydrophobicContact CE1-CD2 4.2Å; V949-L1018 HydrophobicContact CB-CD2 4.41Å; V949-L1018 HydrophobicContact CG1-CD2 4.5Å; V949-L1018 HydrophobicContact CG2-CD2 3.87Å; I1014-L1018 HydrophobicContact CG2-CD1 4.14Å; I1014-L1018 WeakPolarHBondContact O-CG 3.36Å; I1014-L1018 PolarHBondContact O-N 2.78Å; I1014-L1018 VanDerWaalsContact O-N 3.16Å; T1015-L1018 PolarHBondContact O-N 3.48Å; N1016-L1018 PolarHBondContact O-N 3.24Å; L1018-K1020 VanDerWaalsContact C-N 3.29Å; L1018-K1020 PolarHBondContact O-N 2.83Å; L1018-T1024 HydrophobicContact CD2-CG2 4.48Å; L1018-T1024 CarbonylContact O-C 3.59Å; L1018-T1024 PolarHBondContact O-OG1 3.41Å; L1018-L1027 HydrophobicContact CD1-CD2 4.13Å; L1018-L1027 HydrophobicContact CD1-CG 4.11Å; L1018-F1031 HydrophobicContact CD1-CD2 3.49Å; L1018-F1031 VanDerWaalsContact CD1-CD2 3.49Å; L1018-F1031 HydrophobicContact CD1-CE2 3.65Å |
| 1019 | L | 96.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.5 | -22.4 | 176.8 | -73 | 173.2 | 0 | 0 | 0 | 113.7 | T1015 N1016 R1021 K1025 K1029 | T1015-L1019 HydrophobicContact CG2-CD1 3.9Å; T1015-L1019 HydrophobicContact CG2-CG 4.48Å; T1015-L1019 WeakPolarHBondContact O-CG 3.48Å; T1015-L1019 PolarHBondContact O-N 3.01Å; N1016-L1019 PolarHBondContact O-N 2.76Å; L1019-R1021 VanDerWaalsContact C-N 3.29Å; L1019-R1021 PolarHBondContact O-N 3.3Å; L1019-K1025 HydrophobicContact CD2-CG 4.18Å; L1019-K1029 HydrophobicContact CD2-CG 3.97Å |
| 1020 | K | 91.7 | Very high | 95 | Very high | 118 Ų | 118 | 41.6 Ų | 41.6 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.5 | 180 | -75.7 | 177.9 | 175.8 | -166.7 | 0 | 114 | D961 N1016 L1018 | D961-K1020 IonicContact OD2-NZ 2.76Å; D961-K1020 PolarHBondContact OD2-NZ 3.22Å; N1016-K1020 WeakPolarHBondContact O-CG 3.4Å; N1016-K1020 PolarHBondContact O-N 3.34Å; L1018-K1020 VanDerWaalsContact C-N 3.29Å; L1018-K1020 PolarHBondContact O-N 2.83Å |
| 1021 | R | 87.4 | Confident | 95 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -114.1 | 128.1 | -175 | -170.2 | 175.2 | -176.4 | 161.9 | 1.4 | 110.6 | Y948 L1019 G1023 T1024 K1025 | Y948-R1021 HydrophobicContact CE1-CB 4.18Å; L1019-R1021 VanDerWaalsContact C-N 3.29Å; L1019-R1021 PolarHBondContact O-N 3.3Å; R1021-G1023 VanDerWaalsContact C-N 3.26Å; R1021-G1023 PolarHBondContact O-N 3.38Å; R1021-T1024 PolarHBondContact O-N 3.19Å; R1021-T1024 PolarHBondContact O-OG1 3.09Å; R1021-K1025 PolarHBondContact O-N 3.35Å |
| 1022 | E | 87 | Confident | 95 | Very high | 134 Ų | 134 | 44.1 Ų | 44.1 | 63% | 0.626 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -58.4 | -36.9 | -171.8 | -166.7 | 60.5 | -154.5 | 0 | 0 | 112.9 | T1024 K1025 | E1022-T1024 VanDerWaalsContact C-N 3.32Å; E1022-T1024 PolarHBondContact O-N 2.91Å; E1022-K1025 WeakPolarHBondContact O-CB 3Å; E1022-K1025 PolarHBondContact O-N 3.26Å; E1022-K1025 IonicContact OE1-NZ 3.9Å; E1022-K1025 PolarHBondContact OE1-NZ 3.02Å; E1022-K1025 VanDerWaalsContact OE2-CD 3.24Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.17Å; E1022-K1025 IonicContact OE2-NZ 3.17Å; E1022-K1025 PolarHBondContact OE2-NZ 3.46Å |
| 1023 | G | 86.3 | Confident | 95 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -71 | -20.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D945 R1021 | D945-G1023 WeakPolarHBondContact OD1-CA 3.11Å; R1021-G1023 VanDerWaalsContact C-N 3.26Å; R1021-G1023 PolarHBondContact O-N 3.38Å |
| 1024 | T | 93.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -107.5 | 0.2 | 178 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | M941 D945 Y948 V949 L1018 R1021 E1022 E1026 L1027 G1028 | M941-T1024 HydrophobicContact CE-CG2 3.63Å; D945-T1024 HydrophobicContact CB-CG2 3.97Å; Y948-T1024 HydrophobicContact CD1-CG2 3.88Å; V949-T1024 HydrophobicContact CG2-CG2 3.78Å; L1018-T1024 HydrophobicContact CD2-CG2 4.48Å; L1018-T1024 CarbonylContact O-C 3.59Å; L1018-T1024 PolarHBondContact O-OG1 3.41Å; R1021-T1024 PolarHBondContact O-N 3.19Å; R1021-T1024 PolarHBondContact O-OG1 3.09Å; E1022-T1024 VanDerWaalsContact C-N 3.32Å; E1022-T1024 PolarHBondContact O-N 2.91Å; T1024-E1026 PolarHBondContact O-N 2.88Å; T1024-L1027 CarbonylContact O-C 3.39Å; T1024-L1027 WeakPolarHBondContact O-CB 3.44Å; T1024-L1027 PolarHBondContact O-N 2.77Å; T1024-L1027 VanDerWaalsContact O-N 3.14Å; T1024-G1028 PolarHBondContact O-N 2.73Å |
| 1025 | K | 95 | Very high | 94.9 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 30% | 0.296 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.1 | -36.5 | -172.6 | -170.6 | 178.1 | -174.9 | -179.3 | 0 | 113.1 | L1019 R1021 E1022 G1028 K1029 | L1019-K1025 HydrophobicContact CD2-CG 4.18Å; R1021-K1025 PolarHBondContact O-N 3.35Å; E1022-K1025 WeakPolarHBondContact O-CB 3Å; E1022-K1025 PolarHBondContact O-N 3.26Å; E1022-K1025 IonicContact OE1-NZ 3.9Å; E1022-K1025 PolarHBondContact OE1-NZ 3.02Å; E1022-K1025 VanDerWaalsContact OE2-CD 3.24Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.17Å; E1022-K1025 IonicContact OE2-NZ 3.17Å; E1022-K1025 PolarHBondContact OE2-NZ 3.46Å; K1025-G1028 PolarHBondContact O-N 2.86Å; K1025-K1029 WeakPolarHBondContact O-CG 3.43Å; K1025-K1029 PolarHBondContact O-N 2.94Å |
| 1026 | E | 95.5 | Very high | 94.8 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 173.3 | -68.7 | -156.8 | 142.7 | 0 | 0 | 111.6 | I937 R940 T1024 K1029 W1030 | I937-E1026 HydrophobicContact CG1-CB 4.35Å; I937-E1026 HydrophobicContact CG2-CB 3.86Å; R940-E1026 IonicContact CZ-OE2 3.1Å; R940-E1026 IonicContact NE-OE2 2.79Å; R940-E1026 IonicContact NH2-OE1 2.66Å; R940-E1026 IonicContact NH2-OE2 3.93Å; R940-E1026 PolarHBondContact NH2-OE2 3.11Å; T1024-E1026 PolarHBondContact O-N 2.88Å; E1026-K1029 WeakPolarHBondContact O-CB 3.4Å; E1026-K1029 PolarHBondContact O-N 2.94Å; E1026-W1030 PolarHBondContact O-N 3.17Å |
| 1027 | L | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 174.2 | -177.4 | 62.6 | 0 | 0 | 0 | 111.6 | L934 I937 M941 V949 L1018 T1024 K1029 W1030 F1031 V1057 I1061 | L934-L1027 HydrophobicContact CD1-CD1 3.41Å; L934-L1027 VanDerWaalsContact CD1-CD1 3.41Å; I937-L1027 HydrophobicContact CG2-CB 4.06Å; M941-L1027 HydrophobicContact CE-CD2 4.14Å; M941-L1027 HydrophobicContact SD-CB 4.44Å; M941-L1027 HydrophobicContact SD-CD2 4.17Å; V949-L1027 HydrophobicContact CB-CD2 4.49Å; V949-L1027 HydrophobicContact CG1-CD2 3.86Å; V949-L1027 HydrophobicContact CG2-CD2 3.71Å; L1018-L1027 HydrophobicContact CD1-CD2 4.13Å; L1018-L1027 HydrophobicContact CD1-CG 4.11Å; T1024-L1027 CarbonylContact O-C 3.39Å; T1024-L1027 WeakPolarHBondContact O-CB 3.44Å; T1024-L1027 PolarHBondContact O-N 2.77Å; T1024-L1027 VanDerWaalsContact O-N 3.14Å; L1027-K1029 VanDerWaalsContact C-N 3.32Å; L1027-K1029 PolarHBondContact O-N 3.43Å; L1027-W1030 WeakPolarHBondContact O-CB 3.15Å; L1027-W1030 PolarHBondContact O-N 2.97Å; L1027-W1030 VanDerWaalsContact O-N 3.15Å; L1027-F1031 HydrophobicContact CD1-CD2 4.16Å; L1027-F1031 HydrophobicContact CD1-CE2 4.01Å; L1027-F1031 HydrophobicContact CD2-CE2 4.28Å; L1027-F1031 HydrophobicContact CG-CD2 3.98Å; L1027-F1031 HydrophobicContact CG-CE2 3.94Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.24Å; L1027-F1031 PolarHBondContact O-N 2.98Å; L1027-V1057 HydrophobicContact CD1-CG1 4.23Å; L1027-I1061 HydrophobicContact CD2-CD1 4.25Å |
| 1028 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1024 K1025 F1031 S1032 | T1024-G1028 PolarHBondContact O-N 2.73Å; K1025-G1028 PolarHBondContact O-N 2.86Å; G1028-F1031 PolarHBondContact O-N 2.99Å; G1028-S1032 WeakPolarHBondContact O-CB 3.28Å; G1028-S1032 PolarHBondContact O-N 3.41Å |
| 1029 | K | 97.2 | Very high | 94.5 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 172.5 | -72 | 173 | -177.5 | 177.1 | 0 | 111.8 | L1019 K1025 E1026 L1027 S1032 I1033 | L1019-K1029 HydrophobicContact CD2-CG 3.97Å; K1025-K1029 WeakPolarHBondContact O-CG 3.43Å; K1025-K1029 PolarHBondContact O-N 2.94Å; E1026-K1029 WeakPolarHBondContact O-CB 3.4Å; E1026-K1029 PolarHBondContact O-N 2.94Å; L1027-K1029 VanDerWaalsContact C-N 3.32Å; L1027-K1029 PolarHBondContact O-N 3.43Å; K1029-S1032 WeakPolarHBondContact O-CB 3.37Å; K1029-S1032 PolarHBondContact O-N 3.36Å; K1029-I1033 WeakPolarHBondContact O-CG1 3.25Å; K1029-I1033 PolarHBondContact O-N 3.42Å |
| 1030 | W | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -51.3 | 174.3 | -172.4 | 97.9 | 0 | 0 | 0 | 110.8 | L908 V911 S931 P932 L934 I937 E1026 L1027 S1032 I1033 I1034 I1053 V1057 | L908-W1030 HydrophobicContact CD2-CH2 4.38Å; V911-W1030 HydrophobicContact CG1-CZ2 4.39Å; V911-W1030 HydrophobicContact CG2-CZ2 4.32Å; S931-W1030 PolarHBondContact OG-NE1 3.08Å; P932-W1030 VanDerWaalsContact O-CD1 3.28Å; P932-W1030 PolarHBondContact O-NE1 3.44Å; L934-W1030 HydrophobicContact CD1-CD2 4.17Å; L934-W1030 HydrophobicContact CD1-CG 4.33Å; L934-W1030 HydrophobicContact CD2-CZ2 4.34Å; I937-W1030 HydrophobicContact CD1-CB 4.12Å; I937-W1030 HydrophobicContact CD1-CG 4.33Å; E1026-W1030 PolarHBondContact O-N 3.17Å; L1027-W1030 WeakPolarHBondContact O-CB 3.15Å; L1027-W1030 PolarHBondContact O-N 2.97Å; L1027-W1030 VanDerWaalsContact O-N 3.15Å; W1030-S1032 VanDerWaalsContact C-N 3.29Å; W1030-S1032 PolarHBondContact O-N 3.18Å; W1030-I1033 PolarHBondContact O-N 3.02Å; W1030-I1033 VanDerWaalsContact O-N 3.12Å; W1030-I1034 HydrophobicContact CD2-CG1 3.91Å; W1030-I1034 HydrophobicContact CE3-CB 4.46Å; W1030-I1034 HydrophobicContact CE3-CG1 3.83Å; W1030-I1034 HydrophobicContact CH2-CB 4.4Å; W1030-I1034 HydrophobicContact CH2-CD1 4.35Å; W1030-I1034 HydrophobicContact CH2-CG1 3.62Å; W1030-I1034 HydrophobicContact CH2-CG2 4.41Å; W1030-I1034 HydrophobicContact CZ2-CD1 4.09Å; W1030-I1034 HydrophobicContact CZ2-CG1 3.68Å; W1030-I1034 HydrophobicContact CZ3-CB 4.17Å; W1030-I1034 HydrophobicContact CZ3-CG1 3.68Å; W1030-I1034 HydrophobicContact CZ3-CG2 4.4Å; W1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; W1030-I1034 PolarHBondContact O-N 3.33Å; W1030-I1053 HydrophobicContact CZ3-CG2 4.42Å; W1030-V1057 HydrophobicContact CE3-CG2 4.13Å; W1030-V1057 HydrophobicContact CH2-CG2 3.64Å; W1030-V1057 HydrophobicContact CZ3-CG2 3.33Å |
| 1031 | F | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -39.4 | 174.4 | -86.2 | -68.1 | 0 | 0 | 0 | 112.3 | L980 I1014 L1018 L1027 G1028 I1033 I1034 F1035 I1053 V1057 | L980-F1031 HydrophobicContact CD1-CZ 4.11Å; L980-F1031 HydrophobicContact CD2-CZ 4.48Å; I1014-F1031 HydrophobicContact CG2-CD1 4.25Å; I1014-F1031 HydrophobicContact CG2-CD2 4.16Å; I1014-F1031 HydrophobicContact CG2-CE1 4.26Å; I1014-F1031 HydrophobicContact CG2-CE2 4.17Å; I1014-F1031 HydrophobicContact CG2-CG 4.18Å; I1014-F1031 HydrophobicContact CG2-CZ 4.22Å; L1018-F1031 HydrophobicContact CD1-CD2 3.49Å; L1018-F1031 VanDerWaalsContact CD1-CD2 3.49Å; L1018-F1031 HydrophobicContact CD1-CE2 3.65Å; L1027-F1031 HydrophobicContact CD1-CD2 4.16Å; L1027-F1031 HydrophobicContact CD1-CE2 4.01Å; L1027-F1031 HydrophobicContact CD2-CE2 4.28Å; L1027-F1031 HydrophobicContact CG-CD2 3.98Å; L1027-F1031 HydrophobicContact CG-CE2 3.94Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.24Å; L1027-F1031 PolarHBondContact O-N 2.98Å; G1028-F1031 PolarHBondContact O-N 2.99Å; F1031-I1033 VanDerWaalsContact C-N 3.31Å; F1031-I1033 PolarHBondContact O-N 2.96Å; F1031-I1034 PolarHBondContact O-N 2.88Å; F1031-F1035 HydrophobicContact CB-CD2 4.06Å; F1031-F1035 HydrophobicContact CB-CE2 4.22Å; F1031-F1035 AromaticContact CD1-CD2 3.9Å; F1031-F1035 HydrophobicContact CD1-CD2 3.9Å; F1031-F1035 AromaticContact CD1-CE2 3.34Å; F1031-F1035 HydrophobicContact CD1-CE2 3.34Å; F1031-F1035 AromaticContact CD1-CZ 3.89Å; F1031-F1035 HydrophobicContact CD1-CZ 3.89Å; F1031-F1035 AromaticContact CE1-CE2 4Å; F1031-F1035 HydrophobicContact CE1-CE2 4Å; F1031-F1035 HydrophobicContact CE1-CZ 4.16Å; F1031-F1035 HydrophobicContact CG-CD2 4.43Å; F1031-F1035 HydrophobicContact CG-CE2 4.12Å; F1031-F1035 VanDerWaalsContact O-CB 3.26Å; F1031-F1035 WeakPolarHBondContact O-CB 3.21Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.23Å; F1031-F1035 PolarHBondContact O-N 3.14Å; F1031-I1053 HydrophobicContact CD1-CG2 4.33Å; F1031-I1053 HydrophobicContact CE1-CG2 3.98Å; F1031-V1057 HydrophobicContact CE1-CG2 4.05Å; F1031-V1057 HydrophobicContact CE2-CG1 3.96Å; F1031-V1057 HydrophobicContact CE2-CG2 4.48Å; F1031-V1057 HydrophobicContact CZ-CB 3.93Å; F1031-V1057 HydrophobicContact CZ-CG1 3.69Å; F1031-V1057 HydrophobicContact CZ-CG2 3.78Å |
| 1032 | S | 97.4 | Very high | 94.2 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 39% | 0.392 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | G1028 K1029 W1030 R1036 | G1028-S1032 WeakPolarHBondContact O-CB 3.28Å; G1028-S1032 PolarHBondContact O-N 3.41Å; K1029-S1032 WeakPolarHBondContact O-CB 3.37Å; K1029-S1032 PolarHBondContact O-N 3.36Å; W1030-S1032 VanDerWaalsContact C-N 3.29Å; W1030-S1032 PolarHBondContact O-N 3.18Å; S1032-R1036 WeakPolarHBondContact O-CB 3.33Å; S1032-R1036 PolarHBondContact O-N 2.99Å; S1032-R1036 VanDerWaalsContact O-N 3.12Å |
| 1033 | I | 96.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 21% | 0.205 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -51 | 177.8 | -67.9 | 165 | 0 | 0 | 0 | 109.7 | E930 K1029 W1030 F1031 R1036 I1037 | E930-I1033 HydrophobicContact CB-CG2 3.88Å; K1029-I1033 WeakPolarHBondContact O-CG1 3.25Å; K1029-I1033 PolarHBondContact O-N 3.42Å; W1030-I1033 PolarHBondContact O-N 3.02Å; W1030-I1033 VanDerWaalsContact O-N 3.12Å; F1031-I1033 VanDerWaalsContact C-N 3.31Å; F1031-I1033 PolarHBondContact O-N 2.96Å; I1033-R1036 WeakPolarHBondContact O-CB 3.45Å; I1033-R1036 PolarHBondContact O-N 3.33Å; I1033-I1037 HydrophobicContact CG2-CD1 4.38Å; I1033-I1037 PolarHBondContact O-N 2.89Å |
| 1034 | I | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -45.4 | -177.5 | -62.4 | -57.9 | 0 | 0 | 0 | 111.4 | L904 E907 W1030 F1031 R1036 I1037 Y1038 I1053 | L904-I1034 HydrophobicContact CD1-CG2 3.68Å; E907-I1034 HydrophobicContact CB-CD1 3.59Å; E907-I1034 HydrophobicContact CG-CD1 3.95Å; W1030-I1034 HydrophobicContact CD2-CG1 3.91Å; W1030-I1034 HydrophobicContact CE3-CB 4.46Å; W1030-I1034 HydrophobicContact CE3-CG1 3.83Å; W1030-I1034 HydrophobicContact CH2-CB 4.4Å; W1030-I1034 HydrophobicContact CH2-CD1 4.35Å; W1030-I1034 HydrophobicContact CH2-CG1 3.62Å; W1030-I1034 HydrophobicContact CH2-CG2 4.41Å; W1030-I1034 HydrophobicContact CZ2-CD1 4.09Å; W1030-I1034 HydrophobicContact CZ2-CG1 3.68Å; W1030-I1034 HydrophobicContact CZ3-CB 4.17Å; W1030-I1034 HydrophobicContact CZ3-CG1 3.68Å; W1030-I1034 HydrophobicContact CZ3-CG2 4.4Å; W1030-I1034 WeakPolarHBondContact O-CG1 3.44Å; W1030-I1034 PolarHBondContact O-N 3.33Å; F1031-I1034 PolarHBondContact O-N 2.88Å; I1034-R1036 VanDerWaalsContact C-N 3.3Å; I1034-R1036 PolarHBondContact O-N 2.61Å; I1034-I1037 PolarHBondContact O-N 2.72Å; I1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; I1034-Y1038 PolarHBondContact O-N 3.33Å; I1034-I1053 HydrophobicContact CG2-CD1 3.87Å; I1034-I1053 HydrophobicContact CG2-CG1 3.91Å; I1034-I1053 HydrophobicContact CG2-CG2 3.99Å |
| 1035 | F | 97.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.7 | -26.3 | 178.5 | -73.5 | -46.4 | 0 | 0 | 0 | 113.2 | A1011 I1014 T1015 F1031 I1037 Y1038 K1039 F1050 I1053 | A1011-F1035 HydrophobicContact CB-CB 4.21Å; A1011-F1035 HydrophobicContact CB-CD1 3.66Å; A1011-F1035 HydrophobicContact CB-CD2 3.78Å; A1011-F1035 HydrophobicContact CB-CE1 3.86Å; A1011-F1035 HydrophobicContact CB-CE2 3.93Å; A1011-F1035 HydrophobicContact CB-CG 3.64Å; A1011-F1035 HydrophobicContact CB-CZ 3.99Å; I1014-F1035 HydrophobicContact CB-CE2 4.32Å; I1014-F1035 HydrophobicContact CD1-CE2 4.44Å; I1014-F1035 HydrophobicContact CD1-CZ 4.37Å; I1014-F1035 HydrophobicContact CG2-CE2 4.3Å; T1015-F1035 WeakPolarHBondContact OG1-CD2 3.39Å; F1031-F1035 HydrophobicContact CB-CD2 4.06Å; F1031-F1035 HydrophobicContact CB-CE2 4.22Å; F1031-F1035 AromaticContact CD1-CD2 3.9Å; F1031-F1035 HydrophobicContact CD1-CD2 3.9Å; F1031-F1035 AromaticContact CD1-CE2 3.34Å; F1031-F1035 HydrophobicContact CD1-CE2 3.34Å; F1031-F1035 AromaticContact CD1-CZ 3.89Å; F1031-F1035 HydrophobicContact CD1-CZ 3.89Å; F1031-F1035 AromaticContact CE1-CE2 4Å; F1031-F1035 HydrophobicContact CE1-CE2 4Å; F1031-F1035 HydrophobicContact CE1-CZ 4.16Å; F1031-F1035 HydrophobicContact CG-CD2 4.43Å; F1031-F1035 HydrophobicContact CG-CE2 4.12Å; F1031-F1035 VanDerWaalsContact O-CB 3.26Å; F1031-F1035 WeakPolarHBondContact O-CB 3.21Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.23Å; F1031-F1035 PolarHBondContact O-N 3.14Å; F1035-I1037 VanDerWaalsContact C-N 3.34Å; F1035-Y1038 AromaticContact CD1-CD1 3.89Å; F1035-Y1038 HydrophobicContact CD1-CD1 3.89Å; F1035-Y1038 HydrophobicContact CD1-CE1 4.49Å; F1035-Y1038 HydrophobicContact CD1-CG 4.09Å; F1035-K1039 VanDerWaalsContact O-CG 3.22Å; F1035-K1039 WeakPolarHBondContact O-CG 3.27Å; F1035-K1039 PolarHBondContact O-N 3.15Å; F1035-F1050 AromaticContact CE1-CD2 3.88Å; F1035-F1050 HydrophobicContact CE1-CD2 3.88Å; F1035-F1050 HydrophobicContact CE1-CE2 4.02Å; F1035-F1050 HydrophobicContact CZ-CD2 4.19Å; F1035-F1050 AromaticContact CZ-CE2 3.86Å; F1035-F1050 HydrophobicContact CZ-CE2 3.86Å; F1035-I1053 HydrophobicContact CD1-CD1 4.14Å; F1035-I1053 HydrophobicContact CE1-CD1 3.93Å; F1035-I1053 HydrophobicContact CE1-CG2 4.03Å; F1035-I1053 HydrophobicContact CZ-CG2 4.16Å |
| 1036 | R | 96.4 | Very high | 94.3 | Very high | 153 Ų | 153 | 36.3 Ų | 36.3 | 58% | 0.577 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -62.2 | -42.6 | 170.1 | 178.7 | -174.9 | 72.9 | 131.1 | 1.8 | 111.4 | E930 S1032 I1033 I1034 | E930-R1036 VanDerWaalsContact CD-NH2 3.34Å; E930-R1036 IonicContact OE1-NH2 2.7Å; E930-R1036 PolarHBondContact OE1-NH2 3.09Å; E930-R1036 IonicContact OE2-CZ 2.83Å; E930-R1036 IonicContact OE2-NH2 3.42Å; E930-R1036 PolarHBondContact OE2-NH2 3.11Å; S1032-R1036 WeakPolarHBondContact O-CB 3.33Å; S1032-R1036 PolarHBondContact O-N 2.99Å; S1032-R1036 VanDerWaalsContact O-N 3.12Å; I1033-R1036 WeakPolarHBondContact O-CB 3.45Å; I1033-R1036 PolarHBondContact O-N 3.33Å; I1034-R1036 VanDerWaalsContact C-N 3.3Å; I1034-R1036 PolarHBondContact O-N 2.61Å |
| 1037 | I | 94.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.1 | -47.8 | 177.1 | -59.4 | 158.9 | 0 | 0 | 0 | 109.8 | A900 T903 L904 E907 I1033 I1034 F1035 K1039 G1040 | A900-I1037 HydrophobicContact CB-CG2 4.43Å; A900-I1037 WeakPolarHBondContact O-CG2 3.39Å; T903-I1037 HydrophobicContact CG2-CD1 3.92Å; T903-I1037 HydrophobicContact CG2-CG1 4.35Å; T903-I1037 HydrophobicContact CG2-CG2 4.1Å; L904-I1037 HydrophobicContact CB-CG2 3.9Å; E907-I1037 HydrophobicContact CG-CD1 4.01Å; I1033-I1037 HydrophobicContact CG2-CD1 4.38Å; I1033-I1037 PolarHBondContact O-N 2.89Å; I1034-I1037 PolarHBondContact O-N 2.72Å; F1035-I1037 VanDerWaalsContact C-N 3.34Å; I1037-K1039 VanDerWaalsContact C-N 3.26Å; I1037-K1039 PolarHBondContact O-N 2.85Å; I1037-G1040 PolarHBondContact O-N 2.91Å |
| 1038 | Y | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54 | -35.7 | 175.9 | 165.5 | -93.7 | 0 | 0 | 0 | 113.8 | L904 I1004 I1034 F1035 G1040 I1041 K1046 F1050 I1053 | L904-Y1038 HydrophobicContact CD2-CD2 4.36Å; I1004-Y1038 WeakPolarHBondContact CG2-OH 3.29Å; I1034-Y1038 WeakPolarHBondContact O-CB 3.44Å; I1034-Y1038 PolarHBondContact O-N 3.33Å; F1035-Y1038 AromaticContact CD1-CD1 3.89Å; F1035-Y1038 HydrophobicContact CD1-CD1 3.89Å; F1035-Y1038 HydrophobicContact CD1-CE1 4.49Å; F1035-Y1038 HydrophobicContact CD1-CG 4.09Å; Y1038-G1040 PolarHBondContact O-N 3.35Å; Y1038-I1041 HydrophobicContact CD2-CD1 3.9Å; Y1038-I1041 HydrophobicContact CD2-CG1 4.01Å; Y1038-I1041 HydrophobicContact CE2-CD1 3.98Å; Y1038-I1041 HydrophobicContact CE2-CG1 4.33Å; Y1038-I1041 WeakPolarHBondContact O-CG1 3.26Å; Y1038-I1041 PolarHBondContact O-N 3.23Å; Y1038-K1046 HydrophobicContact CE1-CD 4.29Å; Y1038-K1046 HydrophobicContact CE1-CG 4.39Å; Y1038-K1046 HydrophobicContact CE2-CB 4.17Å; Y1038-K1046 HydrophobicContact CE2-CG 4.09Å; Y1038-K1046 WeakPolarHBondContact CE2-O 3.5Å; Y1038-K1046 VanDerWaalsContact OH-CB 3.23Å; Y1038-K1046 WeakPolarHBondContact OH-CB 3.49Å; Y1038-K1046 PolarHBondContact OH-O 3.06Å; Y1038-F1050 HydrophobicContact CE2-CB 4.08Å; Y1038-I1053 HydrophobicContact CD2-CD1 3.84Å; Y1038-I1053 HydrophobicContact CG-CD1 4.18Å |
| 1039 | K | 94.5 | Very high | 93.9 | Very high | 82 Ų | 82 | 32.2 Ų | 32.2 | 36% | 0.357 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22 | 176.9 | -78.2 | 173.1 | -176.1 | -167.7 | 0 | 113.4 | D1008 D1012 F1035 I1037 | D1008-K1039 HydrophobicContact CB-CD 4.47Å; D1008-K1039 HydrophobicContact CB-CG 4.19Å; D1012-K1039 IonicContact OD1-NZ 2.83Å; D1012-K1039 PolarHBondContact OD1-NZ 3.44Å; D1012-K1039 IonicContact OD2-NZ 3.86Å; D1012-K1039 PolarHBondContact OD2-NZ 3.02Å; F1035-K1039 VanDerWaalsContact O-CG 3.22Å; F1035-K1039 WeakPolarHBondContact O-CG 3.27Å; F1035-K1039 PolarHBondContact O-N 3.15Å; I1037-K1039 VanDerWaalsContact C-N 3.26Å; I1037-K1039 PolarHBondContact O-N 2.85Å |
| 1040 | G | 90.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S897 I1037 Y1038 | S897-G1040 WeakPolarHBondContact CA-O 3.3Å; S897-G1040 PolarHBondContact OG-O 3.3Å; I1037-G1040 PolarHBondContact O-N 2.91Å; Y1038-G1040 PolarHBondContact O-N 3.35Å |
| 1041 | I | 90.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -84.6 | 154.1 | -180 | 69.2 | 147.8 | 0 | 0 | 0 | 112.1 | A900 L901 L904 Y1038 M1045 K1046 Y1049 | A900-I1041 HydrophobicContact CB-CG2 4.11Å; L901-I1041 HydrophobicContact CB-CG2 4.23Å; L901-I1041 HydrophobicContact CD1-CB 4.26Å; L901-I1041 HydrophobicContact CD1-CG2 3.71Å; L904-I1041 HydrophobicContact CD2-CG2 4.34Å; Y1038-I1041 HydrophobicContact CD2-CD1 3.9Å; Y1038-I1041 HydrophobicContact CD2-CG1 4.01Å; Y1038-I1041 HydrophobicContact CE2-CD1 3.98Å; Y1038-I1041 HydrophobicContact CE2-CG1 4.33Å; Y1038-I1041 WeakPolarHBondContact O-CG1 3.26Å; Y1038-I1041 PolarHBondContact O-N 3.23Å; I1041-M1045 HydrophobicContact CD1-CB 4.15Å; I1041-K1046 HydrophobicContact CD1-CG 4.15Å; I1041-K1046 HydrophobicContact CG1-CG 4.04Å; I1041-K1046 WeakPolarHBondContact O-CE 3.16Å; I1041-Y1049 HydrophobicContact CD1-CD2 3.99Å; I1041-Y1049 HydrophobicContact CD1-CG 3.94Å |
| 1042 | P | 88.3 | Confident | 93.5 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | trans | -61 | 143.6 | -178.1 | -22.8 | 32.6 | 0 | 0 | 0 | 113.4 | L893 F1044 M1045 K1046 | L893-P1042 HydrophobicContact CD1-CG 3.71Å; L893-P1042 HydrophobicContact CD2-CB 4.48Å; L893-P1042 HydrophobicContact CD2-CG 3.63Å; L893-P1042 HydrophobicContact CG-CG 4.3Å; P1042-F1044 VanDerWaalsContact C-N 3.26Å; P1042-F1044 HydrophobicContact CB-CD1 3.82Å; P1042-F1044 HydrophobicContact CB-CE1 3.38Å; P1042-F1044 HydrophobicContact CB-CZ 3.94Å; P1042-F1044 HydrophobicContact CG-CE1 4.21Å; P1042-F1044 HydrophobicContact CG-CZ 4.39Å; P1042-F1044 PolarHBondContact O-N 3.41Å; P1042-F1044 VanDerWaalsContact O-N 3.13Å; P1042-M1045 HydrophobicContact CG-SD 4.32Å; P1042-M1045 PolarHBondContact O-N 3.29Å; P1042-K1046 PolarHBondContact O-N 2.93Å | ||
| 1043 | Y | 89.1 | Confident | 93.3 | Very high | 122 Ų | 122 | 24.8 Ų | 24.8 | 48% | 0.478 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -54.6 | -38.5 | -174.7 | 80.5 | -88.8 | 0 | 0 | 0 | 113.4 | R1005 M1045 K1046 | R1005-Y1043 HydrophobicContact CB-CD2 4.4Å; R1005-Y1043 HydrophobicContact CG-CD2 4.36Å; R1005-Y1043 WeakPolarHBondContact CG-O 3.31Å; Y1043-M1045 VanDerWaalsContact C-N 3.26Å; Y1043-M1045 PolarHBondContact O-N 3.44Å; Y1043-K1046 WeakPolarHBondContact O-CB 3.21Å; Y1043-K1046 PolarHBondContact O-N 3.2Å |
| 1044 | F | 88.5 | Confident | 93.3 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -70.9 | -20.8 | -177.2 | 64.7 | -89.8 | 0 | 0 | 0 | 113 | V634 G635 R765 F767 A800 L893 P1042 | V634-F1044 HydrophobicContact CG1-CD2 3.45Å; V634-F1044 VanDerWaalsContact CG1-CD2 3.45Å; V634-F1044 HydrophobicContact CG1-CE2 3.76Å; V634-F1044 HydrophobicContact CG1-CG 4.23Å; G635-F1044 WeakPolarHBondContact CA-O 3.35Å; R765-F1044 VanDerWaalsContact NH2-CZ 3.3Å; F767-F1044 HydrophobicContact CD1-CE2 4.5Å; F767-F1044 HydrophobicContact CE1-CE2 4.17Å; F767-F1044 HydrophobicContact CE2-CZ 4.44Å; F767-F1044 HydrophobicContact CZ-CE2 4.18Å; F767-F1044 HydrophobicContact CZ-CZ 4.39Å; A800-F1044 HydrophobicContact CB-CD1 4.14Å; A800-F1044 HydrophobicContact CB-CE1 3.56Å; A800-F1044 HydrophobicContact CB-CZ 4.49Å; L893-F1044 HydrophobicContact CD2-CZ 4.21Å; P1042-F1044 VanDerWaalsContact C-N 3.26Å; P1042-F1044 HydrophobicContact CB-CD1 3.82Å; P1042-F1044 HydrophobicContact CB-CE1 3.38Å; P1042-F1044 HydrophobicContact CB-CZ 3.94Å; P1042-F1044 HydrophobicContact CG-CE1 4.21Å; P1042-F1044 HydrophobicContact CG-CZ 4.39Å; P1042-F1044 PolarHBondContact O-N 3.41Å; P1042-F1044 VanDerWaalsContact O-N 3.13Å |
| 1045 | M | 90.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -92.7 | -10.9 | 175.4 | -56.5 | -176.1 | 75.7 | 0 | 0 | 112.6 | F767 L893 L901 I1041 P1042 Y1043 S1048 Y1049 | F767-M1045 HydrophobicContact CE1-CE 4Å; F767-M1045 HydrophobicContact CE1-SD 4.14Å; F767-M1045 HydrophobicContact CZ-CE 4.06Å; F767-M1045 HydrophobicContact CZ-SD 3.82Å; L893-M1045 HydrophobicContact CD1-SD 4.15Å; L901-M1045 HydrophobicContact CD1-CE 4.35Å; L901-M1045 HydrophobicContact CD2-CE 3.72Å; L901-M1045 HydrophobicContact CD2-SD 4.07Å; I1041-M1045 HydrophobicContact CD1-CB 4.15Å; P1042-M1045 HydrophobicContact CG-SD 4.32Å; P1042-M1045 PolarHBondContact O-N 3.29Å; Y1043-M1045 VanDerWaalsContact C-N 3.26Å; Y1043-M1045 PolarHBondContact O-N 3.44Å; M1045-S1048 PolarHBondContact O-N 2.92Å; M1045-S1048 PolarHBondContact O-OG 3.13Å; M1045-Y1049 HydrophobicContact CB-CD2 4.22Å; M1045-Y1049 HydrophobicContact CB-CE2 4.43Å; M1045-Y1049 HydrophobicContact CE-CE2 3.66Å; M1045-Y1049 WeakPolarHBondContact O-CD2 3.3Å; M1045-Y1049 PolarHBondContact O-N 3.31Å |
| 1046 | K | 94 | Very high | 92.7 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 9% | 0.087 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -41 | -177.6 | -80.3 | -168.8 | 178.4 | -171 | 0 | 114 | I1004 D1008 Y1038 I1041 P1042 Y1043 F1050 | I1004-K1046 HydrophobicContact CG2-CB 3.81Å; D1008-K1046 VanDerWaalsContact CG-NZ 3.29Å; D1008-K1046 IonicContact OD1-NZ 2.66Å; D1008-K1046 PolarHBondContact OD1-NZ 2.95Å; D1008-K1046 IonicContact OD2-NZ 3.54Å; D1008-K1046 PolarHBondContact OD2-NZ 2.7Å; D1008-K1046 VanDerWaalsContact OD2-NZ 3.1Å; Y1038-K1046 HydrophobicContact CE1-CD 4.29Å; Y1038-K1046 HydrophobicContact CE1-CG 4.39Å; Y1038-K1046 HydrophobicContact CE2-CB 4.17Å; Y1038-K1046 HydrophobicContact CE2-CG 4.09Å; Y1038-K1046 WeakPolarHBondContact CE2-O 3.5Å; Y1038-K1046 VanDerWaalsContact OH-CB 3.23Å; Y1038-K1046 WeakPolarHBondContact OH-CB 3.49Å; Y1038-K1046 PolarHBondContact OH-O 3.06Å; I1041-K1046 HydrophobicContact CD1-CG 4.15Å; I1041-K1046 HydrophobicContact CG1-CG 4.04Å; I1041-K1046 WeakPolarHBondContact O-CE 3.16Å; P1042-K1046 PolarHBondContact O-N 2.93Å; Y1043-K1046 WeakPolarHBondContact O-CB 3.21Å; Y1043-K1046 PolarHBondContact O-N 3.2Å; K1046-F1050 WeakPolarHBondContact O-CB 3.5Å; K1046-F1050 PolarHBondContact O-N 2.77Å |
| 1047 | P | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 177.6 | -26.9 | 37 | 0 | 0 | 0 | 113.9 | F637 L996 C1001 I1004 R1005 F1050 E1051 | F637-P1047 HydrophobicContact CZ-CB 4.36Å; L996-P1047 HydrophobicContact CD2-CB 4.49Å; C1001-P1047 HydrophobicContact CB-CB 4.13Å; C1001-P1047 HydrophobicContact CB-CG 4.14Å; I1004-P1047 HydrophobicContact CG2-CG 4.2Å; R1005-P1047 HydrophobicContact CG-CG 3.7Å; P1047-F1050 PolarHBondContact O-N 3.28Å; P1047-E1051 PolarHBondContact O-N 3.5Å |
| 1048 | S | 93.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | S636 M1045 L1052 | S636-S1048 WeakPolarHBondContact O-CB 3.46Å; M1045-S1048 PolarHBondContact O-N 2.92Å; M1045-S1048 PolarHBondContact O-OG 3.13Å; S1048-L1052 WeakPolarHBondContact O-CB 3.39Å; S1048-L1052 PolarHBondContact O-N 3.49Å |
| 1049 | Y | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.7 | -30.9 | 177.6 | -78.7 | -95.1 | 0 | 0 | 0 | 113.2 | L638 L901 L904 Q905 I1041 M1045 L1052 I1053 | L638-Y1049 HydrophobicContact CD1-CE1 4.25Å; L638-Y1049 HydrophobicContact CD1-CE2 4.18Å; L901-Y1049 HydrophobicContact CD1-CD1 4.22Å; L901-Y1049 HydrophobicContact CD1-CD2 4.19Å; L901-Y1049 HydrophobicContact CD1-CE1 3.64Å; L901-Y1049 HydrophobicContact CD1-CE2 3.65Å; L901-Y1049 HydrophobicContact CD1-CG 4.45Å; L901-Y1049 WeakPolarHBondContact CD1-OH 3.19Å; L904-Y1049 HydrophobicContact CD2-CD1 3.59Å; L904-Y1049 HydrophobicContact CD2-CE1 4.37Å; L904-Y1049 HydrophobicContact CD2-CG 4.16Å; L904-Y1049 HydrophobicContact CG-CD1 4.26Å; Q905-Y1049 HydrophobicContact CG-CE1 4.02Å; Q905-Y1049 PolarHBondContact NE2-OH 3.43Å; I1041-Y1049 HydrophobicContact CD1-CD2 3.99Å; I1041-Y1049 HydrophobicContact CD1-CG 3.94Å; M1045-Y1049 HydrophobicContact CB-CD2 4.22Å; M1045-Y1049 HydrophobicContact CB-CE2 4.43Å; M1045-Y1049 HydrophobicContact CE-CE2 3.66Å; M1045-Y1049 WeakPolarHBondContact O-CD2 3.3Å; M1045-Y1049 PolarHBondContact O-N 3.31Å; Y1049-L1052 HydrophobicContact CD1-CD2 4.35Å; Y1049-L1052 PolarHBondContact O-N 3.2Å; Y1049-I1053 WeakPolarHBondContact O-CD1 3.36Å; Y1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; Y1049-I1053 PolarHBondContact O-N 3.01Å |
| 1050 | F | 96.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 172.6 | -179 | -89 | 0 | 0 | 0 | 110.9 | L983 L987 I1004 L1010 A1011 I1014 F1035 Y1038 K1046 P1047 L1052 I1053 V1054 | L983-F1050 HydrophobicContact CD1-CE1 4.25Å; L983-F1050 HydrophobicContact CD1-CZ 4.16Å; L987-F1050 HydrophobicContact CD1-CE1 4.38Å; I1004-F1050 HydrophobicContact CD1-CB 4.21Å; I1004-F1050 HydrophobicContact CD1-CD1 3.51Å; I1004-F1050 HydrophobicContact CD1-CE1 4.03Å; I1004-F1050 HydrophobicContact CD1-CG 3.87Å; I1004-F1050 HydrophobicContact CG1-CD1 4.33Å; I1004-F1050 HydrophobicContact CG1-CG 4.34Å; I1004-F1050 HydrophobicContact CG2-CB 4.2Å; L1010-F1050 HydrophobicContact CB-CZ 4.47Å; L1010-F1050 HydrophobicContact CD2-CE1 3.75Å; L1010-F1050 HydrophobicContact CD2-CE2 4.19Å; L1010-F1050 HydrophobicContact CD2-CZ 3.42Å; L1010-F1050 VanDerWaalsContact CD2-CZ 3.42Å; L1010-F1050 HydrophobicContact CG-CE1 4.46Å; L1010-F1050 HydrophobicContact CG-CE2 4.14Å; L1010-F1050 HydrophobicContact CG-CZ 3.64Å; A1011-F1050 HydrophobicContact CB-CE2 4.39Å; I1014-F1050 HydrophobicContact CD1-CE2 4.11Å; I1014-F1050 HydrophobicContact CD1-CZ 3.74Å; F1035-F1050 AromaticContact CE1-CD2 3.88Å; F1035-F1050 HydrophobicContact CE1-CD2 3.88Å; F1035-F1050 HydrophobicContact CE1-CE2 4.02Å; F1035-F1050 HydrophobicContact CZ-CD2 4.19Å; F1035-F1050 AromaticContact CZ-CE2 3.86Å; F1035-F1050 HydrophobicContact CZ-CE2 3.86Å; Y1038-F1050 HydrophobicContact CE2-CB 4.08Å; K1046-F1050 WeakPolarHBondContact O-CB 3.5Å; K1046-F1050 PolarHBondContact O-N 2.77Å; P1047-F1050 PolarHBondContact O-N 3.28Å; F1050-L1052 VanDerWaalsContact C-N 3.33Å; F1050-L1052 PolarHBondContact O-N 3.37Å; F1050-I1053 PolarHBondContact O-N 3.01Å; F1050-V1054 HydrophobicContact CD1-CG2 4.21Å; F1050-V1054 HydrophobicContact CE1-CG2 3.75Å; F1050-V1054 HydrophobicContact CE2-CG2 4.33Å; F1050-V1054 HydrophobicContact CZ-CG2 3.81Å; F1050-V1054 WeakPolarHBondContact O-CG2 3.39Å; F1050-V1054 PolarHBondContact O-N 3.32Å |
| 1051 | E | 94.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.2 | -174.4 | -81.8 | 155.5 | 0 | 0 | 111 | F637 L987 R991 P1047 I1053 V1054 N1055 | F637-E1051 HydrophobicContact CD1-CB 3.89Å; F637-E1051 HydrophobicContact CD1-CG 4.14Å; F637-E1051 HydrophobicContact CE1-CB 3.67Å; F637-E1051 HydrophobicContact CE1-CG 4.14Å; L987-E1051 HydrophobicContact CB-CG 4.01Å; L987-E1051 HydrophobicContact CD1-CG 4.42Å; L987-E1051 HydrophobicContact CD2-CB 4.1Å; L987-E1051 HydrophobicContact CD2-CG 4.12Å; L987-E1051 HydrophobicContact CG-CG 4.41Å; R991-E1051 WeakPolarHBondContact CD-OE1 3.48Å; R991-E1051 IonicContact CZ-OE1 2.84Å; R991-E1051 IonicContact NE-OE1 3.24Å; R991-E1051 IonicContact NH1-OE1 3.58Å; R991-E1051 PolarHBondContact NH1-OE1 3.46Å; P1047-E1051 PolarHBondContact O-N 3.5Å; E1051-I1053 VanDerWaalsContact C-N 3.34Å; E1051-I1053 PolarHBondContact O-N 3.32Å; E1051-V1054 PolarHBondContact O-N 3.34Å; E1051-N1055 WeakPolarHBondContact O-CB 3.28Å; E1051-N1055 PolarHBondContact O-N 3.27Å; E1051-N1055 WeakPolarHBondContact OE1-CB 3.43Å |
| 1052 | L | 91 | Very high | 92.1 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.042 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 179.1 | -175.7 | 67.3 | 0 | 0 | 0 | 112 | L638 L908 N912 M915 S1048 Y1049 F1050 S1056 | L638-L1052 HydrophobicContact CD1-CD2 3.94Å; L908-L1052 HydrophobicContact CD1-CD2 3.7Å; L908-L1052 HydrophobicContact CD1-CG 4.11Å; N912-L1052 WeakPolarHBondContact ND2-CD1 3.07Å; M915-L1052 HydrophobicContact CE-CD2 3.85Å; M915-L1052 HydrophobicContact CG-CD2 4.36Å; M915-L1052 HydrophobicContact SD-CD2 3.98Å; S1048-L1052 WeakPolarHBondContact O-CB 3.39Å; S1048-L1052 PolarHBondContact O-N 3.49Å; Y1049-L1052 HydrophobicContact CD1-CD2 4.35Å; Y1049-L1052 PolarHBondContact O-N 3.2Å; F1050-L1052 VanDerWaalsContact C-N 3.33Å; F1050-L1052 PolarHBondContact O-N 3.37Å; L1052-S1056 VanDerWaalsContact O-CB 3.26Å; L1052-S1056 WeakPolarHBondContact O-CB 3.33Å; L1052-S1056 PolarHBondContact O-N 3.1Å; L1052-S1056 PolarHBondContact O-OG 2.83Å |
| 1053 | I | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -52.6 | 178.7 | -68.1 | 159.3 | 0 | 0 | 0 | 110.1 | L904 L908 W1030 F1031 I1034 F1035 Y1038 Y1049 F1050 E1051 S1056 V1057 | L904-I1053 HydrophobicContact CD1-CD1 4.13Å; L904-I1053 HydrophobicContact CD1-CG1 4.36Å; L904-I1053 HydrophobicContact CD2-CD1 4.36Å; L908-I1053 HydrophobicContact CD1-CG1 4.02Å; L908-I1053 HydrophobicContact CD2-CG1 4.17Å; W1030-I1053 HydrophobicContact CZ3-CG2 4.42Å; F1031-I1053 HydrophobicContact CD1-CG2 4.33Å; F1031-I1053 HydrophobicContact CE1-CG2 3.98Å; I1034-I1053 HydrophobicContact CG2-CD1 3.87Å; I1034-I1053 HydrophobicContact CG2-CG1 3.91Å; I1034-I1053 HydrophobicContact CG2-CG2 3.99Å; F1035-I1053 HydrophobicContact CD1-CD1 4.14Å; F1035-I1053 HydrophobicContact CE1-CD1 3.93Å; F1035-I1053 HydrophobicContact CE1-CG2 4.03Å; F1035-I1053 HydrophobicContact CZ-CG2 4.16Å; Y1038-I1053 HydrophobicContact CD2-CD1 3.84Å; Y1038-I1053 HydrophobicContact CG-CD1 4.18Å; Y1049-I1053 WeakPolarHBondContact O-CD1 3.36Å; Y1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; Y1049-I1053 PolarHBondContact O-N 3.01Å; F1050-I1053 PolarHBondContact O-N 3.01Å; E1051-I1053 VanDerWaalsContact C-N 3.34Å; E1051-I1053 PolarHBondContact O-N 3.32Å; I1053-S1056 PolarHBondContact O-N 3.45Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.27Å; I1053-V1057 PolarHBondContact O-N 2.95Å; I1053-V1057 VanDerWaalsContact O-N 3.12Å |
| 1054 | V | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | -175.9 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L980 M984 L987 I1014 F1050 E1051 S1056 V1057 Y1058 | L980-V1054 HydrophobicContact CB-CG1 4.46Å; L980-V1054 HydrophobicContact CD2-CG1 4.16Å; M984-V1054 HydrophobicContact SD-CG1 3.82Å; L987-V1054 HydrophobicContact CD1-CB 4.11Å; L987-V1054 HydrophobicContact CD1-CG1 3.94Å; I1014-V1054 HydrophobicContact CD1-CG2 4.34Å; F1050-V1054 HydrophobicContact CD1-CG2 4.21Å; F1050-V1054 HydrophobicContact CE1-CG2 3.75Å; F1050-V1054 HydrophobicContact CE2-CG2 4.33Å; F1050-V1054 HydrophobicContact CZ-CG2 3.81Å; F1050-V1054 WeakPolarHBondContact O-CG2 3.39Å; F1050-V1054 PolarHBondContact O-N 3.32Å; E1051-V1054 PolarHBondContact O-N 3.34Å; V1054-S1056 PolarHBondContact O-N 2.81Å; V1054-V1057 PolarHBondContact O-N 2.98Å; V1054-Y1058 VanDerWaalsContact O-CB 3.25Å; V1054-Y1058 WeakPolarHBondContact O-CB 3.21Å; V1054-Y1058 PolarHBondContact O-N 3.4Å |
| 1055 | N | 91.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 13.9 Ų | 13.9 | 9% | 0.086 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 178.8 | 175.8 | 77.5 | 0 | 0 | 0 | 111.8 | M984 R991 E1051 Y1058 N1059 | M984-N1055 HydrophobicContact CE-CB 4.02Å; M984-N1055 WeakPolarHBondContact CE-OD1 3.3Å; M984-N1055 HydrophobicContact SD-CB 4.41Å; R991-N1055 VanDerWaalsContact NH1-CG 3.32Å; R991-N1055 PolarHBondContact NH1-ND2 3.12Å; R991-N1055 PolarHBondContact NH1-OD1 3.32Å; E1051-N1055 WeakPolarHBondContact O-CB 3.28Å; E1051-N1055 PolarHBondContact O-N 3.27Å; E1051-N1055 WeakPolarHBondContact OE1-CB 3.43Å; N1055-Y1058 PolarHBondContact O-N 3.32Å; N1055-N1059 PolarHBondContact ND2-ND2 2.8Å; N1055-N1059 WeakPolarHBondContact O-CB 3.38Å; N1055-N1059 PolarHBondContact O-N 3.13Å; N1055-N1059 PolarHBondContact O-ND2 3.3Å |
| 1056 | S | 89.6 | Confident | 91 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 177.8 | -55 | 0 | 0 | 0 | 0 | 111.5 | N912 L1052 I1053 V1054 N1059 V1060 | N912-S1056 WeakPolarHBondContact CB-OG 3.43Å; N912-S1056 PolarHBondContact ND2-OG 3.14Å; L1052-S1056 VanDerWaalsContact O-CB 3.26Å; L1052-S1056 WeakPolarHBondContact O-CB 3.33Å; L1052-S1056 PolarHBondContact O-N 3.1Å; L1052-S1056 PolarHBondContact O-OG 2.83Å; I1053-S1056 PolarHBondContact O-N 3.45Å; V1054-S1056 PolarHBondContact O-N 2.81Å; S1056-N1059 PolarHBondContact O-N 3.26Å; S1056-V1060 WeakPolarHBondContact O-CG2 3.26Å; S1056-V1060 PolarHBondContact O-N 3.43Å |
| 1057 | V | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 111 | L934 L980 L1027 W1030 F1031 I1053 V1054 N1059 V1060 I1061 | L934-V1057 HydrophobicContact CD2-CB 4.35Å; L934-V1057 HydrophobicContact CD2-CG1 4.44Å; L934-V1057 HydrophobicContact CD2-CG2 3.9Å; L980-V1057 HydrophobicContact CD1-CG1 4.08Å; L1027-V1057 HydrophobicContact CD1-CG1 4.23Å; W1030-V1057 HydrophobicContact CE3-CG2 4.13Å; W1030-V1057 HydrophobicContact CH2-CG2 3.64Å; W1030-V1057 HydrophobicContact CZ3-CG2 3.33Å; F1031-V1057 HydrophobicContact CE1-CG2 4.05Å; F1031-V1057 HydrophobicContact CE2-CG1 3.96Å; F1031-V1057 HydrophobicContact CE2-CG2 4.48Å; F1031-V1057 HydrophobicContact CZ-CB 3.93Å; F1031-V1057 HydrophobicContact CZ-CG1 3.69Å; F1031-V1057 HydrophobicContact CZ-CG2 3.78Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.27Å; I1053-V1057 PolarHBondContact O-N 2.95Å; I1053-V1057 VanDerWaalsContact O-N 3.12Å; V1054-V1057 PolarHBondContact O-N 2.98Å; V1057-N1059 PolarHBondContact O-N 3Å; V1057-V1060 PolarHBondContact O-N 3.24Å; V1057-I1061 HydrophobicContact CG1-CD1 3.65Å; V1057-I1061 HydrophobicContact CG1-CG1 4.3Å; V1057-I1061 VanDerWaalsContact O-CG1 3.26Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.4Å; V1057-I1061 PolarHBondContact O-N 3.31Å |
| 1058 | Y | 93.8 | Very high | 88.6 | Confident | 21 Ų | 21 | 19.4 Ų | 19.4 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 179 | -178.4 | -89.9 | 0 | 0 | 0 | 112.1 | L950 L980 Q981 M984 V1054 N1055 I1061 C1062 | L950-Y1058 HydrophobicContact CD2-CD2 3.63Å; L950-Y1058 HydrophobicContact CD2-CE2 3.86Å; L980-Y1058 HydrophobicContact CB-CD2 4.32Å; Q981-Y1058 VanDerWaalsContact OE1-CZ 3.27Å; Q981-Y1058 PolarHBondContact OE1-OH 3.18Å; M984-Y1058 HydrophobicContact CB-CD2 4.45Å; M984-Y1058 HydrophobicContact CB-CE2 4.32Å; M984-Y1058 HydrophobicContact CE-CD1 4.26Å; M984-Y1058 HydrophobicContact CE-CG 4.44Å; M984-Y1058 HydrophobicContact CG-CD1 4.02Å; M984-Y1058 HydrophobicContact CG-CD2 3.41Å; M984-Y1058 VanDerWaalsContact CG-CD2 3.41Å; M984-Y1058 HydrophobicContact CG-CE1 4.31Å; M984-Y1058 HydrophobicContact CG-CE2 3.73Å; M984-Y1058 HydrophobicContact CG-CG 3.56Å; M984-Y1058 HydrophobicContact SD-CD1 4.49Å; M984-Y1058 HydrophobicContact SD-CD2 4.45Å; M984-Y1058 HydrophobicContact SD-CG 4.09Å; V1054-Y1058 VanDerWaalsContact O-CB 3.25Å; V1054-Y1058 WeakPolarHBondContact O-CB 3.21Å; V1054-Y1058 PolarHBondContact O-N 3.4Å; N1055-Y1058 PolarHBondContact O-N 3.32Å; Y1058-I1061 PolarHBondContact O-N 2.76Å; Y1058-C1062 WeakPolarHBondContact CE1-SG 3.31Å; Y1058-C1062 VanDerWaalsContact CZ-SG 3.55Å; Y1058-C1062 PolarHBondContact O-N 3.25Å; Y1058-C1062 PolarHBondContact O-SG 2.97Å |
| 1059 | N | 89.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 20.7 Ų | 20.7 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65 | -44 | 179.7 | -69 | -23.7 | 0 | 0 | 0 | 112 | N1055 S1056 V1057 I1061 C1062 D1063 | N1055-N1059 PolarHBondContact ND2-ND2 2.8Å; N1055-N1059 WeakPolarHBondContact O-CB 3.38Å; N1055-N1059 PolarHBondContact O-N 3.13Å; N1055-N1059 PolarHBondContact O-ND2 3.3Å; S1056-N1059 PolarHBondContact O-N 3.26Å; V1057-N1059 PolarHBondContact O-N 3Å; N1059-I1061 VanDerWaalsContact C-N 3.28Å; N1059-I1061 PolarHBondContact O-N 3.46Å; N1059-C1062 PolarHBondContact O-N 3.01Å; N1059-D1063 PolarHBondContact O-N 3.49Å |
| 1060 | V | 90.7 | Very high | 86.5 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V911 L934 Q935 V938 S1056 V1057 V1064 | V911-V1060 HydrophobicContact CB-CG2 4.34Å; L934-V1060 HydrophobicContact CD2-CB 4.12Å; L934-V1060 HydrophobicContact CD2-CG1 4.16Å; L934-V1060 HydrophobicContact CD2-CG2 4.2Å; L934-V1060 HydrophobicContact CG-CG1 4.16Å; Q935-V1060 HydrophobicContact CG-CG1 3.87Å; V938-V1060 HydrophobicContact CG2-CG1 4.33Å; S1056-V1060 WeakPolarHBondContact O-CG2 3.26Å; S1056-V1060 PolarHBondContact O-N 3.43Å; V1057-V1060 PolarHBondContact O-N 3.24Å; V1060-V1064 HydrophobicContact CG1-CG2 4.42Å; V1060-V1064 WeakPolarHBondContact O-CB 3.36Å; V1060-V1064 VanDerWaalsContact O-CG2 3.28Å; V1060-V1064 WeakPolarHBondContact O-CG2 3.41Å; V1060-V1064 PolarHBondContact O-N 3.33Å |
| 1061 | I | 92 | Very high | 85.6 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.8 | -69.1 | 170.3 | 0 | 0 | 0 | 111.3 | V938 I946 V949 L950 L980 L1027 V1057 Y1058 N1059 M1065 | V938-I1061 HydrophobicContact CG1-CG1 4.15Å; V938-I1061 HydrophobicContact CG2-CG1 3.88Å; I946-I1061 HydrophobicContact CG1-CG2 4.43Å; I946-I1061 HydrophobicContact CG2-CG2 3.46Å; I946-I1061 VanDerWaalsContact CG2-CG2 3.46Å; V949-I1061 HydrophobicContact CG1-CD1 3.59Å; L950-I1061 HydrophobicContact CD1-CG2 3.85Å; L950-I1061 HydrophobicContact CD2-CD1 4.32Å; L950-I1061 HydrophobicContact CD2-CG2 4.05Å; L950-I1061 HydrophobicContact CG-CG2 4.05Å; L980-I1061 HydrophobicContact CD1-CD1 4.5Å; L1027-I1061 HydrophobicContact CD2-CD1 4.25Å; V1057-I1061 HydrophobicContact CG1-CD1 3.65Å; V1057-I1061 HydrophobicContact CG1-CG1 4.3Å; V1057-I1061 VanDerWaalsContact O-CG1 3.26Å; V1057-I1061 WeakPolarHBondContact O-CG1 3.4Å; V1057-I1061 PolarHBondContact O-N 3.31Å; Y1058-I1061 PolarHBondContact O-N 2.76Å; N1059-I1061 VanDerWaalsContact C-N 3.28Å; N1059-I1061 PolarHBondContact O-N 3.46Å; I1061-M1065 WeakPolarHBondContact O-CB 3.39Å; I1061-M1065 PolarHBondContact O-N 2.7Å |
| 1062 | C | 90.1 | Very high | 84.9 | Confident | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 179.5 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | Y1058 N1059 M1065 L1066 L1083 | Y1058-C1062 WeakPolarHBondContact CE1-SG 3.31Å; Y1058-C1062 VanDerWaalsContact CZ-SG 3.55Å; Y1058-C1062 PolarHBondContact O-N 3.25Å; Y1058-C1062 PolarHBondContact O-SG 2.97Å; N1059-C1062 PolarHBondContact O-N 3.01Å; C1062-M1065 PolarHBondContact O-N 3.45Å; C1062-L1066 WeakPolarHBondContact O-CB 3.1Å; C1062-L1066 WeakPolarHBondContact O-CD1 3.4Å; C1062-L1066 WeakPolarHBondContact O-CG 3.46Å; C1062-L1066 PolarHBondContact O-N 2.64Å; C1062-L1083 HydrophobicContact CB-CD1 4.23Å; C1062-L1083 HydrophobicContact CB-CD2 4.16Å |
| 1063 | D | 85.7 | Confident | 84.2 | Confident | 89 Ų | 89 | 31.1 Ų | 31.1 | 48% | 0.476 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 179.4 | -78.8 | -7.8 | 0 | 0 | 0 | 111.7 | N1059 L1066 S1067 | N1059-D1063 PolarHBondContact O-N 3.49Å; D1063-L1066 PolarHBondContact O-N 3.08Å; D1063-S1067 WeakPolarHBondContact O-CB 3.26Å; D1063-S1067 PolarHBondContact O-N 3.08Å |
| 1064 | V | 82.9 | Confident | 83.6 | Confident | 22 Ų | 22 | 31.1 Ų | 31.1 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | V938 V1060 L1066 S1067 | V938-V1064 HydrophobicContact CB-CG2 4.47Å; V938-V1064 HydrophobicContact CG1-CB 3.68Å; V938-V1064 HydrophobicContact CG1-CG1 3.76Å; V938-V1064 HydrophobicContact CG1-CG2 4.05Å; V1060-V1064 HydrophobicContact CG1-CG2 4.42Å; V1060-V1064 WeakPolarHBondContact O-CB 3.36Å; V1060-V1064 VanDerWaalsContact O-CG2 3.28Å; V1060-V1064 WeakPolarHBondContact O-CG2 3.41Å; V1060-V1064 PolarHBondContact O-N 3.33Å; V1064-L1066 VanDerWaalsContact C-N 3.33Å; V1064-L1066 PolarHBondContact O-N 3.06Å; V1064-S1067 WeakPolarHBondContact O-CB 3.39Å; V1064-S1067 PolarHBondContact O-N 2.85Å; V1064-S1067 PolarHBondContact O-OG 3.2Å |
| 1065 | M | 82 | Confident | 83.3 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.9 | 179.9 | -89.1 | 163.6 | 0 | 0 | 112 | L943 I946 I1061 C1062 S1067 L1069 L1083 L1086 | L943-M1065 HydrophobicContact CD2-CE 4.2Å; L943-M1065 HydrophobicContact CD2-CG 3.84Å; I946-M1065 HydrophobicContact CD1-CB 4.1Å; I946-M1065 HydrophobicContact CD1-CG 4.41Å; I1061-M1065 WeakPolarHBondContact O-CB 3.39Å; I1061-M1065 PolarHBondContact O-N 2.7Å; C1062-M1065 PolarHBondContact O-N 3.45Å; M1065-S1067 VanDerWaalsContact C-N 3.34Å; M1065-L1069 HydrophobicContact CE-CD1 3.97Å; M1065-L1083 HydrophobicContact SD-CD2 3.85Å; M1065-L1086 HydrophobicContact CG-CD2 4.49Å |
| 1066 | L | 83 | Confident | 83 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76 | -27.1 | -179.9 | -66.2 | 169.3 | 0 | 0 | 0 | 111 | C1062 D1063 V1064 G1068 L1069 V1071 H1072 R1079 A1082 L1083 | C1062-L1066 WeakPolarHBondContact O-CB 3.1Å; C1062-L1066 WeakPolarHBondContact O-CD1 3.4Å; C1062-L1066 WeakPolarHBondContact O-CG 3.46Å; C1062-L1066 PolarHBondContact O-N 2.64Å; D1063-L1066 PolarHBondContact O-N 3.08Å; V1064-L1066 VanDerWaalsContact C-N 3.33Å; V1064-L1066 PolarHBondContact O-N 3.06Å; L1066-G1068 PolarHBondContact O-N 3.41Å; L1066-L1069 WeakPolarHBondContact O-CB 3.38Å; L1066-L1069 WeakPolarHBondContact O-CG 3.49Å; L1066-L1069 PolarHBondContact O-N 3.19Å; L1066-V1071 HydrophobicContact CD2-CG2 3.65Å; L1066-H1072 HydrophobicContact CB-CB 4.31Å; L1066-H1072 WeakPolarHBondContact O-CB 3.44Å; L1066-R1079 HydrophobicContact CD1-CB 3.86Å; L1066-R1079 HydrophobicContact CD1-CG 3.9Å; L1066-A1082 HydrophobicContact CD2-CB 4.05Å; L1066-L1083 HydrophobicContact CD1-CD1 4.4Å; L1066-L1083 HydrophobicContact CD1-CD2 4.49Å; L1066-L1083 HydrophobicContact CD1-CG 4.37Å; L1066-L1083 HydrophobicContact CD2-CD2 4.48Å; L1066-L1083 HydrophobicContact CD2-CG 4.36Å; L1066-L1083 HydrophobicContact CG-CD2 4.35Å |
| 1067 | S | 75.4 | Confident | 83.1 | Confident | 55 Ų | 55 | 35.5 Ų | 35.5 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 120 | -179.5 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | D1063 V1064 M1065 | D1063-S1067 WeakPolarHBondContact O-CB 3.26Å; D1063-S1067 PolarHBondContact O-N 3.08Å; V1064-S1067 WeakPolarHBondContact O-CB 3.39Å; V1064-S1067 PolarHBondContact O-N 2.85Å; V1064-S1067 PolarHBondContact O-OG 3.2Å; M1065-S1067 VanDerWaalsContact C-N 3.34Å |
| 1068 | G | 63.8 | Low | 83 | Confident | 83 Ų | 83 | 35.7 Ų | 35.7 | 86% | 0.856 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -6.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1066 | L1066-G1068 PolarHBondContact O-N 3.41Š|
| 1069 | L | 70.5 | Confident | 82.9 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -98.6 | 148.4 | 174.8 | -48.8 | -172.1 | 0 | 0 | 0 | 110.9 | M1065 L1066 V1071 H1072 T1154 | M1065-L1069 HydrophobicContact CE-CD1 3.97Å; L1066-L1069 WeakPolarHBondContact O-CB 3.38Å; L1066-L1069 WeakPolarHBondContact O-CG 3.49Å; L1066-L1069 PolarHBondContact O-N 3.19Å; L1069-V1071 HydrophobicContact CB-CG2 3.57Å; L1069-V1071 HydrophobicContact CD1-CG2 4.11Å; L1069-V1071 HydrophobicContact CG-CG2 4.48Å; L1069-V1071 PolarHBondContact O-N 2.8Å; L1069-V1071 VanDerWaalsContact O-N 3.13Å; L1069-H1072 WeakPolarHBondContact O-CB 3.37Å; L1069-H1072 PolarHBondContact O-N 3.33Å; L1069-T1154 WeakPolarHBondContact CD2-O 3.27Å |
| 1070 | F | 71.2 | Confident | 83 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -57.6 | -31.3 | 177.1 | 85.8 | -75.2 | 0 | 0 | 0 | 112.3 | H1072 L1078 V1153 Y1574 | F1070-H1072 PolarHBondContact O-N 2.86Å; F1070-L1078 HydrophobicContact CD2-CD2 4.47Å; F1070-L1078 HydrophobicContact CE2-CD1 4.37Å; F1070-L1078 HydrophobicContact CE2-CD2 3.85Å; F1070-L1078 HydrophobicContact CZ-CD1 4.19Å; F1070-L1078 HydrophobicContact CZ-CD2 4.42Å; F1070-V1153 HydrophobicContact CD1-CG1 4.39Å; F1070-V1153 WeakPolarHBondContact CD1-O 3.3Å; F1070-V1153 HydrophobicContact CE1-CB 4.42Å; F1070-V1153 HydrophobicContact CE1-CG1 3.27Å; F1070-V1153 WeakPolarHBondContact CE1-O 3.43Å; F1070-V1153 HydrophobicContact CZ-CG1 3.41Å; F1070-V1153 VanDerWaalsContact CZ-CG1 3.41Å; F1070-Y1574 HydrophobicContact CE2-CD2 4.28Å; F1070-Y1574 HydrophobicContact CZ-CD2 4.27Å |
| 1071 | V | 77.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.1 | -20.7 | 177.3 | -63.3 | 0 | 0 | 0 | 0 | 113.9 | L1066 L1069 Q1073 G1074 L1078 R1079 A1082 | L1066-V1071 HydrophobicContact CD2-CG2 3.65Å; L1069-V1071 HydrophobicContact CB-CG2 3.57Å; L1069-V1071 HydrophobicContact CD1-CG2 4.11Å; L1069-V1071 HydrophobicContact CG-CG2 4.48Å; L1069-V1071 PolarHBondContact O-N 2.8Å; L1069-V1071 VanDerWaalsContact O-N 3.13Å; V1071-Q1073 PolarHBondContact O-N 3.31Å; V1071-G1074 WeakPolarHBondContact O-CA 3.43Å; V1071-G1074 PolarHBondContact O-N 3.33Å; V1071-L1078 HydrophobicContact CB-CD2 4.43Å; V1071-L1078 HydrophobicContact CB-CG 4Å; V1071-L1078 HydrophobicContact CG1-CD1 3.7Å; V1071-L1078 HydrophobicContact CG1-CD2 4.09Å; V1071-L1078 HydrophobicContact CG1-CG 3.6Å; V1071-R1079 WeakPolarHBondContact O-CG 3.4Å; V1071-A1082 HydrophobicContact CB-CB 4.06Å; V1071-A1082 HydrophobicContact CG1-CB 3.96Å; V1071-A1082 HydrophobicContact CG2-CB 3.61Å |
| 1072 | H | 79 | Confident | 83.1 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 30% | 0.296 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -56.8 | -37.9 | -178.2 | -177.3 | -104.8 | 0 | 0 | 0 | 112.2 | L1066 L1069 F1070 G1074 R1079 | L1066-H1072 HydrophobicContact CB-CB 4.31Å; L1066-H1072 WeakPolarHBondContact O-CB 3.44Å; L1069-H1072 WeakPolarHBondContact O-CB 3.37Å; L1069-H1072 PolarHBondContact O-N 3.33Å; F1070-H1072 PolarHBondContact O-N 2.86Å; H1072-G1074 VanDerWaalsContact C-N 3.35Å; H1072-R1079 PolarHBondContact O-NE 2.88Å; H1072-R1079 VanDerWaalsContact O-NE 3.13Å; H1072-R1079 PolarHBondContact O-NH2 2.92Å; H1072-R1079 VanDerWaalsContact O-NH2 3.1Å |
| 1073 | Q | 77 | Confident | 83.2 | Confident | 115 Ų | 115 | 34.6 Ų | 34.6 | 54% | 0.537 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -89.8 | -4.5 | 179.6 | -76.2 | -173.2 | -1.8 | 0 | 0 | 112.9 | S82 A83 V1071 | S82-Q1073 WeakPolarHBondContact CA-O 3.42Å; S82-Q1073 PolarHBondContact OG-O 2.95Å; A83-Q1073 HydrophobicContact CB-CB 3.93Å; A83-Q1073 HydrophobicContact CB-CG 4.1Å; A83-Q1073 PolarHBondContact N-O 2.83Å; V1071-Q1073 PolarHBondContact O-N 3.31Å |
| 1074 | G | 82.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69.9 | 175.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | S82 D87 V1071 H1072 R1079 | S82-G1074 VanDerWaalsContact OG-CA 3.28Å; S82-G1074 WeakPolarHBondContact OG-CA 3.42Å; D87-G1074 WeakPolarHBondContact OD2-CA 3.22Å; V1071-G1074 WeakPolarHBondContact O-CA 3.43Å; V1071-G1074 PolarHBondContact O-N 3.33Å; H1072-G1074 VanDerWaalsContact C-N 3.35Å; G1074-R1079 VanDerWaalsContact O-CZ 3.28Å; G1074-R1079 PolarHBondContact O-NE 3.05Å; G1074-R1079 PolarHBondContact O-NH2 2.9Å |
| 1075 | S | 87.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | trans | -63.1 | 163.7 | 168.3 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | D87 F1077 L1078 R1079 | D87-S1075 VanDerWaalsContact CG-OG 3.3Å; D87-S1075 WeakPolarHBondContact OD1-CB 3.5Å; D87-S1075 PolarHBondContact OD1-OG 3.11Å; D87-S1075 VanDerWaalsContact OD2-CB 3.27Å; D87-S1075 WeakPolarHBondContact OD2-CB 3.27Å; D87-S1075 PolarHBondContact OD2-N 3.35Å; D87-S1075 PolarHBondContact OD2-OG 3.05Å; S1075-F1077 PolarHBondContact O-N 2.86Å; S1075-L1078 PolarHBondContact O-N 3.25Å; S1075-L1078 PolarHBondContact OG-N 2.86Å; S1075-R1079 WeakPolarHBondContact O-CG 3.39Å; S1075-R1079 PolarHBondContact O-N 2.92Å | ||
| 1076 | L | 86.7 | Confident | 84.6 | Confident | 104 Ų | 104 | 29 Ų | 29 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.7 | -35.5 | 172.1 | -98.9 | 129.4 | 0 | 0 | 0 | 112.5 | S1080 W1533 | L1076-S1080 WeakPolarHBondContact O-CB 3.46Å; L1076-S1080 PolarHBondContact O-N 3.31Å; L1076-S1080 PolarHBondContact O-OG 3.03Å; L1076-W1533 HydrophobicContact CB-CH2 4.45Å; L1076-W1533 HydrophobicContact CB-CZ2 4.2Å |
| 1077 | F | 91.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -51.8 | 176.1 | 172 | -127.1 | 0 | 0 | 0 | 111.4 | F47 F89 S1075 R1079 S1080 L1081 L1529 W1533 M1536 | F47-F1077 HydrophobicContact CE2-CD1 4.45Å; F89-F1077 HydrophobicContact CB-CB 4.42Å; F89-F1077 HydrophobicContact CB-CD1 4.41Å; F89-F1077 HydrophobicContact CD1-CD1 4.3Å; F89-F1077 AromaticContact CD2-CD1 3.83Å; F89-F1077 HydrophobicContact CD2-CD1 3.83Å; F89-F1077 HydrophobicContact CD2-CE1 4.47Å; F89-F1077 HydrophobicContact CE2-CD1 4.17Å; F89-F1077 HydrophobicContact CE2-CE1 4.37Å; F89-F1077 AromaticContact CG-CD1 3.93Å; F89-F1077 HydrophobicContact CG-CD1 3.93Å; F89-F1077 HydrophobicContact CZ-CE1 4.43Å; S1075-F1077 PolarHBondContact O-N 2.86Å; F1077-R1079 PolarHBondContact O-N 3.21Å; F1077-S1080 PolarHBondContact O-N 2.93Å; F1077-L1081 HydrophobicContact CD2-CD1 4.37Å; F1077-L1081 HydrophobicContact CD2-CG 4.37Å; F1077-L1081 HydrophobicContact CE1-CD1 4.03Å; F1077-L1081 HydrophobicContact CE2-CD1 3.8Å; F1077-L1081 HydrophobicContact CE2-CD2 4.32Å; F1077-L1081 HydrophobicContact CE2-CG 3.96Å; F1077-L1081 HydrophobicContact CZ-CD1 3.62Å; F1077-L1081 HydrophobicContact CZ-CG 4.29Å; F1077-L1081 PolarHBondContact O-N 3.24Å; F1077-L1529 HydrophobicContact CE1-CB 4.14Å; F1077-L1529 HydrophobicContact CE1-CD1 4.39Å; F1077-L1529 HydrophobicContact CZ-CB 4.3Å; F1077-L1529 HydrophobicContact CZ-CD2 4.5Å; F1077-W1533 HydrophobicContact CB-CD2 4.05Å; F1077-W1533 HydrophobicContact CB-CE3 4.28Å; F1077-W1533 HydrophobicContact CB-CG 4.21Å; F1077-W1533 HydrophobicContact CD2-CB 3.62Å; F1077-W1533 AromaticContact CD2-CD2 3.9Å; F1077-W1533 HydrophobicContact CD2-CD2 3.9Å; F1077-W1533 AromaticContact CD2-CE3 3.69Å; F1077-W1533 HydrophobicContact CD2-CE3 3.69Å; F1077-W1533 AromaticContact CD2-CG 3.92Å; F1077-W1533 HydrophobicContact CD2-CG 3.92Å; F1077-W1533 HydrophobicContact CE2-CB 3.95Å; F1077-W1533 HydrophobicContact CG-CB 4.2Å; F1077-W1533 HydrophobicContact CG-CD2 4.38Å; F1077-W1533 HydrophobicContact CG-CE3 4.46Å; F1077-W1533 HydrophobicContact CG-CG 4.29Å; F1077-M1536 HydrophobicContact CE2-SD 4.41Å |
| 1078 | L | 90.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | -179.8 | -178.9 | 56.2 | 0 | 0 | 0 | 112.2 | F1070 V1071 S1075 S1080 L1081 A1082 L1570 C1573 | F1070-L1078 HydrophobicContact CD2-CD2 4.47Å; F1070-L1078 HydrophobicContact CE2-CD1 4.37Å; F1070-L1078 HydrophobicContact CE2-CD2 3.85Å; F1070-L1078 HydrophobicContact CZ-CD1 4.19Å; F1070-L1078 HydrophobicContact CZ-CD2 4.42Å; V1071-L1078 HydrophobicContact CB-CD2 4.43Å; V1071-L1078 HydrophobicContact CB-CG 4Å; V1071-L1078 HydrophobicContact CG1-CD1 3.7Å; V1071-L1078 HydrophobicContact CG1-CD2 4.09Å; V1071-L1078 HydrophobicContact CG1-CG 3.6Å; S1075-L1078 PolarHBondContact O-N 3.25Å; S1075-L1078 PolarHBondContact OG-N 2.86Å; L1078-S1080 VanDerWaalsContact C-N 3.3Å; L1078-S1080 PolarHBondContact O-N 3.14Å; L1078-L1081 PolarHBondContact O-N 3.39Å; L1078-A1082 PolarHBondContact O-N 3.43Å; L1078-A1082 VanDerWaalsContact O-N 3.14Å; L1078-L1570 HydrophobicContact CD1-CD2 3.87Å; L1078-C1573 HydrophobicContact CD1-CB 3.75Å |
| 1079 | R | 91.1 | Very high | 87.5 | Confident | 74 Ų | 74 | 22.2 Ų | 22.2 | 28% | 0.279 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 174.1 | -68.3 | 179.7 | -154.4 | -165.6 | 6.2 | 111.8 | L1066 V1071 H1072 G1074 S1075 F1077 A1082 L1083 | L1066-R1079 HydrophobicContact CD1-CB 3.86Å; L1066-R1079 HydrophobicContact CD1-CG 3.9Å; V1071-R1079 WeakPolarHBondContact O-CG 3.4Å; H1072-R1079 PolarHBondContact O-NE 2.88Å; H1072-R1079 VanDerWaalsContact O-NE 3.13Å; H1072-R1079 PolarHBondContact O-NH2 2.92Å; H1072-R1079 VanDerWaalsContact O-NH2 3.1Å; G1074-R1079 VanDerWaalsContact O-CZ 3.28Å; G1074-R1079 PolarHBondContact O-NE 3.05Å; G1074-R1079 PolarHBondContact O-NH2 2.9Å; S1075-R1079 WeakPolarHBondContact O-CG 3.39Å; S1075-R1079 PolarHBondContact O-N 2.92Å; F1077-R1079 PolarHBondContact O-N 3.21Å; R1079-A1082 PolarHBondContact O-N 3.4Å; R1079-L1083 WeakPolarHBondContact O-CB 3.21Å; R1079-L1083 VanDerWaalsContact O-CG 3.31Å; R1079-L1083 WeakPolarHBondContact O-CG 3.04Å; R1079-L1083 PolarHBondContact O-N 3.34Å |
| 1080 | S | 92.2 | Very high | 88.4 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | L1076 F1077 L1078 A1082 L1083 S1084 W1533 F1542 | L1076-S1080 WeakPolarHBondContact O-CB 3.46Å; L1076-S1080 PolarHBondContact O-N 3.31Å; L1076-S1080 PolarHBondContact O-OG 3.03Å; F1077-S1080 PolarHBondContact O-N 2.93Å; L1078-S1080 VanDerWaalsContact C-N 3.3Å; L1078-S1080 PolarHBondContact O-N 3.14Å; S1080-A1082 VanDerWaalsContact C-N 3.35Å; S1080-L1083 PolarHBondContact O-N 3.36Å; S1080-S1084 WeakPolarHBondContact O-CB 3.28Å; S1080-S1084 PolarHBondContact O-N 3.01Å; S1080-W1533 WeakPolarHBondContact OG-CH2 3.49Å; S1080-W1533 WeakPolarHBondContact OG-CZ3 3.5Å; S1080-F1542 WeakPolarHBondContact OG-CZ 3.35Å |
| 1081 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 172.8 | -74.5 | 171.6 | 0 | 0 | 0 | 111.4 | F1077 L1078 S1084 S1085 M1536 L1544 V1566 L1569 L1570 | F1077-L1081 HydrophobicContact CD2-CD1 4.37Å; F1077-L1081 HydrophobicContact CD2-CG 4.37Å; F1077-L1081 HydrophobicContact CE1-CD1 4.03Å; F1077-L1081 HydrophobicContact CE2-CD1 3.8Å; F1077-L1081 HydrophobicContact CE2-CD2 4.32Å; F1077-L1081 HydrophobicContact CE2-CG 3.96Å; F1077-L1081 HydrophobicContact CZ-CD1 3.62Å; F1077-L1081 HydrophobicContact CZ-CG 4.29Å; F1077-L1081 PolarHBondContact O-N 3.24Å; L1078-L1081 PolarHBondContact O-N 3.39Å; L1081-S1084 WeakPolarHBondContact O-CB 3.32Å; L1081-S1084 PolarHBondContact O-N 3.49Å; L1081-S1085 PolarHBondContact O-N 2.48Å; L1081-M1536 HydrophobicContact CD2-CE 4.24Å; L1081-M1536 HydrophobicContact CD2-SD 3.61Å; L1081-M1536 HydrophobicContact CG-SD 4.17Å; L1081-L1544 HydrophobicContact CD2-CD1 3.97Å; L1081-V1566 HydrophobicContact CD2-CG1 4.34Å; L1081-V1566 WeakPolarHBondContact O-CG1 3.34Å; L1081-L1569 HydrophobicContact CD1-CB 4.33Å; L1081-L1569 HydrophobicContact CD2-CB 4.42Å; L1081-L1570 HydrophobicContact CB-CD2 3.58Å; L1081-L1570 HydrophobicContact CB-CG 3.9Å; L1081-L1570 HydrophobicContact CD1-CD2 4.35Å |
| 1082 | A | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1066 V1071 L1078 R1079 S1080 S1084 S1085 T1154 | L1066-A1082 HydrophobicContact CD2-CB 4.05Å; V1071-A1082 HydrophobicContact CB-CB 4.06Å; V1071-A1082 HydrophobicContact CG1-CB 3.96Å; V1071-A1082 HydrophobicContact CG2-CB 3.61Å; L1078-A1082 PolarHBondContact O-N 3.43Å; L1078-A1082 VanDerWaalsContact O-N 3.14Å; R1079-A1082 PolarHBondContact O-N 3.4Å; S1080-A1082 VanDerWaalsContact C-N 3.35Å; A1082-S1084 VanDerWaalsContact C-N 3.3Å; A1082-S1084 PolarHBondContact O-N 2.79Å; A1082-S1085 WeakPolarHBondContact O-CB 3.14Å; A1082-S1085 PolarHBondContact O-N 3.17Å; A1082-S1085 PolarHBondContact O-OG 3.25Å; A1082-T1154 HydrophobicContact CB-CG2 4.34Å |
| 1083 | L | 92.2 | Very high | 90.4 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 173.1 | -72.8 | 170 | 0 | 0 | 0 | 111.4 | Y951 C1062 M1065 L1066 R1079 S1080 S1085 L1086 F1542 | Y951-L1083 WeakPolarHBondContact CE2-O 3.2Å; Y951-L1083 VanDerWaalsContact OH-C 3.27Å; Y951-L1083 PolarHBondContact OH-O 2.92Å; C1062-L1083 HydrophobicContact CB-CD1 4.23Å; C1062-L1083 HydrophobicContact CB-CD2 4.16Å; M1065-L1083 HydrophobicContact SD-CD2 3.85Å; L1066-L1083 HydrophobicContact CD1-CD1 4.4Å; L1066-L1083 HydrophobicContact CD1-CD2 4.49Å; L1066-L1083 HydrophobicContact CD1-CG 4.37Å; L1066-L1083 HydrophobicContact CD2-CD2 4.48Å; L1066-L1083 HydrophobicContact CD2-CG 4.36Å; L1066-L1083 HydrophobicContact CG-CD2 4.35Å; R1079-L1083 WeakPolarHBondContact O-CB 3.21Å; R1079-L1083 VanDerWaalsContact O-CG 3.31Å; R1079-L1083 WeakPolarHBondContact O-CG 3.04Å; R1079-L1083 PolarHBondContact O-N 3.34Å; S1080-L1083 PolarHBondContact O-N 3.36Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å; L1083-S1085 PolarHBondContact O-N 3.12Å; L1083-L1086 VanDerWaalsContact O-CB 3.3Å; L1083-L1086 WeakPolarHBondContact O-CB 3.4Å; L1083-L1086 PolarHBondContact O-N 3.37Å; L1083-F1542 HydrophobicContact CB-CE1 4.25Å |
| 1084 | S | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.3 | -35.3 | 177.2 | -161.5 | 0 | 0 | 0 | 0 | 112.2 | S1080 L1081 A1082 L1086 A1087 F1542 S1543 | S1080-S1084 WeakPolarHBondContact O-CB 3.28Å; S1080-S1084 PolarHBondContact O-N 3.01Å; L1081-S1084 WeakPolarHBondContact O-CB 3.32Å; L1081-S1084 PolarHBondContact O-N 3.49Å; A1082-S1084 VanDerWaalsContact C-N 3.3Å; A1082-S1084 PolarHBondContact O-N 2.79Å; S1084-L1086 PolarHBondContact O-N 2.85Å; S1084-L1086 VanDerWaalsContact O-N 3.09Å; S1084-A1087 WeakPolarHBondContact O-CB 3.43Å; S1084-A1087 PolarHBondContact O-N 3.01Å; S1084-F1542 WeakPolarHBondContact CB-O 3.48Å; S1084-F1542 PolarHBondContact OG-O 2.92Å; S1084-S1543 VanDerWaalsContact OG-CA 3.26Å; S1084-S1543 WeakPolarHBondContact OG-CA 3.36Å; S1084-S1543 WeakPolarHBondContact OG-CB 3.44Å; S1084-S1543 PolarHBondContact OG-OG 3.25Å |
| 1085 | S | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.7 | -31 | 174.4 | 82 | 0 | 0 | 0 | 0 | 112.7 | L1081 A1082 L1083 A1087 L1088 C1089 | L1081-S1085 PolarHBondContact O-N 2.48Å; A1082-S1085 WeakPolarHBondContact O-CB 3.14Å; A1082-S1085 PolarHBondContact O-N 3.17Å; A1082-S1085 PolarHBondContact O-OG 3.25Å; L1083-S1085 VanDerWaalsContact C-N 3.31Å; L1083-S1085 PolarHBondContact O-N 3.12Å; S1085-A1087 VanDerWaalsContact C-N 3.32Å; S1085-A1087 PolarHBondContact O-N 3.24Å; S1085-L1088 PolarHBondContact O-N 3.21Å; S1085-C1089 PolarHBondContact O-N 3.41Å; S1085-C1089 VanDerWaalsContact O-N 3.09Å; S1085-C1089 PolarHBondContact O-SG 3.21Å; S1085-C1089 VanDerWaalsContact O-SG 3.41Å |
| 1086 | L | 91.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.5 | -28.9 | -178.6 | -165.6 | 67.5 | 0 | 0 | 0 | 112.5 | L943 I946 N947 Y951 M1065 L1083 S1084 L1088 | L943-L1086 HydrophobicContact CB-CD1 4.01Å; L943-L1086 HydrophobicContact CD2-CD1 4.44Å; I946-L1086 HydrophobicContact CB-CD2 3.88Å; I946-L1086 HydrophobicContact CG2-CD2 3.41Å; I946-L1086 VanDerWaalsContact CG2-CD2 3.41Å; N947-L1086 HydrophobicContact CB-CD1 4.41Å; N947-L1086 HydrophobicContact CB-CG 4.11Å; N947-L1086 PolarHBondContact ND2-O 2.98Å; Y951-L1086 HydrophobicContact CD2-CB 4.45Å; Y951-L1086 HydrophobicContact CE2-CB 4.03Å; Y951-L1086 HydrophobicContact CE2-CD2 4.41Å; M1065-L1086 HydrophobicContact CG-CD2 4.49Å; L1083-L1086 VanDerWaalsContact O-CB 3.3Å; L1083-L1086 WeakPolarHBondContact O-CB 3.4Å; L1083-L1086 PolarHBondContact O-N 3.37Å; S1084-L1086 PolarHBondContact O-N 2.85Å; S1084-L1086 VanDerWaalsContact O-N 3.09Å; L1086-L1088 PolarHBondContact O-N 3.16Å |
| 1087 | A | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y951 S1084 S1085 | Y951-A1087 HydrophobicContact CD1-CB 3.51Å; Y951-A1087 HydrophobicContact CD2-CB 4.06Å; Y951-A1087 HydrophobicContact CE1-CB 3.71Å; Y951-A1087 HydrophobicContact CE2-CB 4.27Å; Y951-A1087 HydrophobicContact CG-CB 3.68Å; S1084-A1087 WeakPolarHBondContact O-CB 3.43Å; S1084-A1087 PolarHBondContact O-N 3.01Å; S1085-A1087 VanDerWaalsContact C-N 3.32Å; S1085-A1087 PolarHBondContact O-N 3.24Å |
| 1088 | L | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -91.2 | -28.1 | -172.1 | -61.5 | 155 | 0 | 0 | 0 | 111.8 | S1085 L1086 S1125 L1128 A1561 V1566 | S1085-L1088 PolarHBondContact O-N 3.21Å; L1086-L1088 PolarHBondContact O-N 3.16Å; L1088-S1125 WeakPolarHBondContact O-CB 3.22Å; L1088-S1125 PolarHBondContact O-N 3.02Å; L1088-L1128 HydrophobicContact CD2-CG 4.32Å; L1088-A1561 HydrophobicContact CD2-CB 4.29Å; L1088-A1561 WeakPolarHBondContact CD2-O 3.37Å; L1088-V1566 HydrophobicContact CD1-CB 4.38Å; L1088-V1566 HydrophobicContact CD1-CG2 4.08Å |
| 1089 | C | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 102.8 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | S1085 T1122 T1123 L1151 R1156 | S1085-C1089 PolarHBondContact O-N 3.41Å; S1085-C1089 VanDerWaalsContact O-N 3.09Å; S1085-C1089 PolarHBondContact O-SG 3.21Å; S1085-C1089 VanDerWaalsContact O-SG 3.41Å; C1089-T1122 HydrophobicContact CB-CG2 4.14Å; C1089-T1123 WeakPolarHBondContact CA-O 3.47Å; C1089-L1151 HydrophobicContact CB-CD2 4.36Å; C1089-R1156 VanDerWaalsContact CB-NH1 3.33Å |
| 1090 | G | 89.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 170 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1123 R1137 | G1090-T1123 PolarHBondContact N-O 3.07Å; G1090-T1123 PolarHBondContact O-N 3.28Å; G1090-T1123 PolarHBondContact O-OG1 2.77Å; G1090-R1137 PolarHBondContact O-NH2 3.49Å; G1090-R1137 VanDerWaalsContact O-NH2 3.16Å |
| 1091 | H | 88.5 | Confident | 90.9 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 9% | 0.093 | 10% | 0.102 | C | C | . | . | trans | -93.7 | 136 | 172.9 | 178.2 | 71.2 | 0 | 0 | 0 | 110.8 | R952 R1119 A1121 | R952-H1091 PolarHBondContact NH1-O 3.44Å; H1091-R1119 PolarHBondContact CD2-O 3.02Å; H1091-R1119 PolarHBondContact NE2-O 3.1Å; H1091-A1121 PolarHBondContact ND1-O 3.33Å | ||
| 1092 | V | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -132.3 | 130 | 172.1 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | E956 S959 S1094 A1095 T1133 | E956-V1092 HydrophobicContact CB-CG2 4.21Å; E956-V1092 HydrophobicContact CG-CG2 4.27Å; S959-V1092 WeakPolarHBondContact OG-CG1 3.17Å; V1092-S1094 WeakPolarHBondContact CG1-OG 3.34Å; V1092-S1094 PolarHBondContact O-N 3.48Å; V1092-A1095 CarbonylContact O-C 3.47Å; V1092-A1095 PolarHBondContact O-N 2.98Å; V1092-T1133 HydrophobicContact CG1-CG2 4.13Å | ||
| 1093 | K | 89.3 | Confident | 89.8 | Confident | 135 Ų | 135 | 36.5 Ų | 36.5 | 59% | 0.587 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.4 | -173.6 | -72.4 | -176.9 | -168.4 | 164.9 | 0 | 113.8 | D960 A1095 | D960-K1093 HydrophobicContact CB-CD 4.34Å; D960-K1093 HydrophobicContact CB-CG 4.47Å; D960-K1093 PolarHBondContact O-NZ 3.25Å; D960-K1093 WeakPolarHBondContact OD1-CB 3.41Å; D960-K1093 WeakPolarHBondContact OD1-CG 3.23Å; D960-K1093 PolarHBondContact OD1-N 2.74Å; K1093-A1095 PolarHBondContact O-N 2.91Å |
| 1094 | S | 91.8 | Very high | 89.4 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 27% | 0.273 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.4 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | S959 V1092 G1134 | S959-S1094 WeakPolarHBondContact OG-CB 3.14Å; S959-S1094 PolarHBondContact OG-OG 3.42Å; V1092-S1094 WeakPolarHBondContact CG1-OG 3.34Å; V1092-S1094 PolarHBondContact O-N 3.48Å; S1094-G1134 CarbonylContact O-C 3.6Å; S1094-G1134 WeakPolarHBondContact O-CA 3.5Å; S1094-G1134 PolarHBondContact OG-N 3.24Å |
| 1095 | A | 93.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -146.2 | 53.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1092 K1093 G1134 R1137 N1138 | V1092-A1095 CarbonylContact O-C 3.47Å; V1092-A1095 PolarHBondContact O-N 2.98Å; K1093-A1095 PolarHBondContact O-N 2.91Å; A1095-G1134 WeakPolarHBondContact CB-O 3.49Å; A1095-R1137 HydrophobicContact CB-CB 3.69Å; A1095-R1137 HydrophobicContact CB-CG 4.23Å; A1095-N1138 PolarHBondContact O-ND2 2.79Å; A1095-N1138 VanDerWaalsContact O-ND2 3.1Å |
| 1096 | P | 90.5 | Very high | 87.7 | Confident | 34 Ų | 34 | 45 Ų | 45 | 22% | 0.221 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -68 | 159.1 | 179.5 | 31.4 | -37 | 0 | 0 | 0 | 112.8 | E1182 | P1096-E1182 WeakPolarHBondContact CD-OE1 3.43Å; P1096-E1182 HydrophobicContact CG-CG 3.78Å |
| 1097 | L | 89.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 150.8 | 164 | -78.5 | 174.3 | 0 | 0 | 0 | 110.9 | A1121 T1122 T1123 I1163 Y1167 L1180 | L1097-A1121 HydrophobicContact CD1-CB 3.77Å; L1097-T1122 WeakPolarHBondContact CD1-O 3.11Å; L1097-T1123 HydrophobicContact CD2-CG2 4.16Å; L1097-T1123 HydrophobicContact CG-CG2 3.73Å; L1097-I1163 HydrophobicContact CD1-CG1 3.93Å; L1097-Y1167 HydrophobicContact CD2-CD2 4.44Å; L1097-Y1167 HydrophobicContact CD2-CE2 4.32Å; L1097-L1180 HydrophobicContact CD2-CD2 3.99Å |
| 1098 | P | 88.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 148.9 | 166 | -24.5 | 30.9 | 0 | 0 | 0 | 112.6 | L1100 C1170 L1180 L1222 | P1098-L1100 PolarHBondContact O-N 3.26Å; P1098-L1100 VanDerWaalsContact O-N 3.11Å; P1098-C1170 WeakPolarHBondContact CG-SG 3.4Å; P1098-L1180 HydrophobicContact CG-CD1 3.96Å; P1098-L1180 HydrophobicContact CG-CD2 4.41Å; P1098-L1180 HydrophobicContact CG-CG 4.43Å; P1098-L1222 HydrophobicContact CB-CD1 4.01Å; P1098-L1222 HydrophobicContact CB-CD2 4.16Å |
| 1099 | F | 84.2 | Confident | 82.7 | Confident | 145 Ų | 145 | 55.9 Ų | 55.9 | 64% | 0.636 | 29% | 0.288 | S | S | * | . | trans | -55.1 | 115.8 | -178.8 | -74.1 | -69 | 0 | 0 | 0 | 113.3 | N1220 Y1231 | F1099-N1220 PolarHBondContact O-ND2 2.87Å; F1099-Y1231 AromaticContact CD2-CE1 3.85Å; F1099-Y1231 HydrophobicContact CD2-CE1 3.85Å; F1099-Y1231 AromaticContact CD2-CZ 3.91Å | ||
| 1100 | L | 86.2 | Confident | 80.9 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | trans | -73.3 | 154.3 | 171.7 | -60.3 | 175.5 | 0 | 0 | 0 | 111.5 | P1098 L1104 V1116 A1121 C1162 L1165 | P1098-L1100 PolarHBondContact O-N 3.26Å; P1098-L1100 VanDerWaalsContact O-N 3.11Å; L1100-L1104 HydrophobicContact CB-CD2 4.48Å; L1100-L1104 HydrophobicContact CD1-CD2 4.3Å; L1100-V1116 HydrophobicContact CB-CG1 4.48Å; L1100-V1116 HydrophobicContact CD1-CG1 4.11Å; L1100-V1116 HydrophobicContact CD1-CG2 4.17Å; L1100-A1121 HydrophobicContact CD1-CB 4.41Å; L1100-C1162 HydrophobicContact CD1-CB 3.79Å; L1100-C1162 WeakPolarHBondContact CD2-O 3.43Å; L1100-L1165 HydrophobicContact CD2-CB 4Å | ||
| 1101 | S | 84.7 | Confident | 79.3 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | trans | -59.3 | 137 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | N1103 L1104 Y1112 P1218 E1236 | S1101-N1103 PolarHBondContact O-N 3.13Å; S1101-N1103 WeakPolarHBondContact OG-CB 3.43Å; S1101-N1103 PolarHBondContact OG-N 3.2Å; S1101-L1104 VanDerWaalsContact O-CB 3.29Å; S1101-L1104 WeakPolarHBondContact O-CB 3.4Å; S1101-L1104 PolarHBondContact O-N 2.92Å; S1101-Y1112 PolarHBondContact O-OH 2.77Å; S1101-Y1112 VanDerWaalsContact O-OH 3.05Å; S1101-P1218 WeakPolarHBondContact CB-O 3.45Å; S1101-P1218 WeakPolarHBondContact OG-CB 3.46Å; S1101-P1218 WeakPolarHBondContact OG-CG 3.42Å; S1101-E1236 WeakPolarHBondContact CB-OE1 3.36Å; S1101-E1236 PolarHBondContact OG-OE1 3.33Å; S1101-E1236 PolarHBondContact OG-OE2 3.04Å | ||
| 1102 | R | 80.2 | Confident | 77.7 | Confident | 225 Ų | 225 | 62.8 Ų | 62.8 | 85% | 0.849 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -18.3 | 172.5 | -65.9 | -176.1 | -178 | -179.3 | 1.7 | 113.2 | L1104 Y1112 | R1102-L1104 VanDerWaalsContact C-N 3.32Å; R1102-Y1112 WeakPolarHBondContact CA-OH 3.45Å |
| 1103 | N | 83 | Confident | 76 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4.1 | 179 | -61.5 | -41.1 | 0 | 0 | 0 | 112.3 | S1101 K1105 P1218 E1236 | S1101-N1103 PolarHBondContact O-N 3.13Å; S1101-N1103 WeakPolarHBondContact OG-CB 3.43Å; S1101-N1103 PolarHBondContact OG-N 3.2Å; N1103-K1105 PolarHBondContact O-N 2.75Å; N1103-P1218 HydrophobicContact CB-CG 4.06Å; N1103-E1236 PolarHBondContact ND2-OE2 3.38Å |
| 1104 | L | 83.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | trans | -66.2 | 124.3 | 178 | -176.5 | 63 | 0 | 0 | 0 | 110.8 | L1100 S1101 R1102 L1106 Y1112 L1165 D1217 | L1100-L1104 HydrophobicContact CB-CD2 4.48Å; L1100-L1104 HydrophobicContact CD1-CD2 4.3Å; S1101-L1104 VanDerWaalsContact O-CB 3.29Å; S1101-L1104 WeakPolarHBondContact O-CB 3.4Å; S1101-L1104 PolarHBondContact O-N 2.92Å; R1102-L1104 VanDerWaalsContact C-N 3.32Å; L1104-L1106 HydrophobicContact CD2-CD2 4.13Å; L1104-L1106 HydrophobicContact CG-CD2 4.28Å; L1104-Y1112 HydrophobicContact CB-CE2 4.07Å; L1104-Y1112 HydrophobicContact CD2-CE2 4.49Å; L1104-Y1112 HydrophobicContact CG-CE2 4.49Å; L1104-Y1112 WeakPolarHBondContact O-CE2 3.39Å; L1104-L1165 HydrophobicContact CD1-CD1 3.53Å; L1104-L1165 HydrophobicContact CD2-CD1 3.84Å; L1104-L1165 HydrophobicContact CG-CD1 4.34Å; L1104-D1217 HydrophobicContact CD1-CB 4.24Å | ||
| 1105 | K | 78.2 | Confident | 72.7 | Confident | 171 Ų | 171 | 63.4 Ų | 63.4 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | trans | -106.6 | 107.5 | 174.9 | -64.4 | -177.7 | -177.3 | 178.3 | 0 | 109.9 | N1103 R1161 | N1103-K1105 PolarHBondContact O-N 2.75Å; K1105-R1161 PolarHBondContact O-NH1 3.08Å; K1105-R1161 PolarHBondContact O-NH2 3.16Å | ||
| 1106 | L | 73.5 | Confident | 71 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | trans | -76.8 | 179.5 | 170.8 | -62.9 | -176.7 | 0 | 0 | 0 | 111.5 | L1104 S1108 A1111 Y1112 I1115 V1116 D1158 | L1104-L1106 HydrophobicContact CD2-CD2 4.13Å; L1104-L1106 HydrophobicContact CG-CD2 4.28Å; L1106-S1108 PolarHBondContact O-N 3.02Å; L1106-A1111 HydrophobicContact CB-CB 4.41Å; L1106-Y1112 HydrophobicContact CD1-CD2 4.04Å; L1106-Y1112 HydrophobicContact CG-CD2 3.95Å; L1106-I1115 HydrophobicContact CD1-CD1 4.49Å; L1106-V1116 HydrophobicContact CD1-CG2 3.99Å; L1106-D1158 HydrophobicContact CD1-CB 4.42Å; L1106-D1158 HydrophobicContact CD2-CB 4.34Å | ||
| 1107 | S | 68.6 | Low | 69.4 | Low | 93 Ų | 93 | 67.9 Ų | 67.9 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -50.6 | -27 | -179.7 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | D1158 | S1107-D1158 VanDerWaalsContact CB-OD2 3.23Å; S1107-D1158 WeakPolarHBondContact CB-OD2 3.27Å; S1107-D1158 PolarHBondContact N-OD1 3.35Å; S1107-D1158 PolarHBondContact OG-OD2 3.27Å |
| 1108 | S | 57.5 | Low | 67.7 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -148.1 | 156.8 | 168.2 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | L1106 E1110 A1111 Y1112 | L1106-S1108 PolarHBondContact O-N 3.02Å; S1108-E1110 PolarHBondContact O-N 2.68Å; S1108-A1111 WeakPolarHBondContact O-CB 3.02Å; S1108-A1111 PolarHBondContact O-N 2.73Å; S1108-A1111 VanDerWaalsContact O-N 3.14Å; S1108-A1111 WeakPolarHBondContact OG-CB 3.39Å; S1108-A1111 PolarHBondContact OG-N 3.37Å; S1108-Y1112 PolarHBondContact O-N 3.15Å |
| 1109 | A | 51.5 | Low | 66.3 | Low | 81 Ų | 81 | 76.1 Ų | 76.1 | 67% | 0.669 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -29.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1113 | A1109-N1113 PolarHBondContact O-N 2.97Å; A1109-N1113 PolarHBondContact O-ND2 2.8Å |
| 1110 | E | 55.2 | Low | 65.7 | Low | 121 Ų | 121 | 70.1 Ų | 70.1 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.6 | -42 | 171.1 | -74.9 | -170 | 158.8 | 0 | 0 | 112.1 | S1108 Y1112 N1113 R1114 | S1108-E1110 PolarHBondContact O-N 2.68Å; E1110-Y1112 VanDerWaalsContact C-N 3.31Å; E1110-Y1112 PolarHBondContact O-N 2.7Å; E1110-N1113 PolarHBondContact O-N 3.44Å; E1110-R1114 WeakPolarHBondContact O-CB 3.24Å; E1110-R1114 VanDerWaalsContact O-CG 3.29Å; E1110-R1114 WeakPolarHBondContact O-CG 3.29Å; E1110-R1114 PolarHBondContact O-N 3.24Å; E1110-R1114 IonicContact OE1-NH2 3.37Å; E1110-R1114 IonicContact OE2-CZ 3.74Å; E1110-R1114 IonicContact OE2-NH2 3.59Å; E1110-R1114 PolarHBondContact OE2-NH2 3.4Å |
| 1111 | A | 56.1 | Low | 65.6 | Low | 14 Ų | 14 | 69.5 Ų | 69.5 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1106 S1108 R1114 I1115 | L1106-A1111 HydrophobicContact CB-CB 4.41Å; S1108-A1111 WeakPolarHBondContact O-CB 3.02Å; S1108-A1111 PolarHBondContact O-N 2.73Å; S1108-A1111 VanDerWaalsContact O-N 3.14Å; S1108-A1111 WeakPolarHBondContact OG-CB 3.39Å; S1108-A1111 PolarHBondContact OG-N 3.37Å; A1111-R1114 PolarHBondContact O-N 2.82Å; A1111-I1115 HydrophobicContact CB-CD1 4.01Å; A1111-I1115 WeakPolarHBondContact O-CB 3.41Å; A1111-I1115 WeakPolarHBondContact O-CD1 3.49Å; A1111-I1115 WeakPolarHBondContact O-CG1 3.49Å; A1111-I1115 PolarHBondContact O-N 2.99Å |
| 1112 | Y | 55.9 | Low | 65.7 | Low | 29 Ų | 29 | 69.5 Ų | 69.5 | 11% | 0.114 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.2 | -172.9 | -106.7 | 0 | 0 | 0 | 113.4 | S1101 R1102 L1104 L1106 S1108 E1110 V1116 I1117 | S1101-Y1112 PolarHBondContact O-OH 2.77Å; S1101-Y1112 VanDerWaalsContact O-OH 3.05Å; R1102-Y1112 WeakPolarHBondContact CA-OH 3.45Å; L1104-Y1112 HydrophobicContact CB-CE2 4.07Å; L1104-Y1112 HydrophobicContact CD2-CE2 4.49Å; L1104-Y1112 HydrophobicContact CG-CE2 4.49Å; L1104-Y1112 WeakPolarHBondContact O-CE2 3.39Å; L1106-Y1112 HydrophobicContact CD1-CD2 4.04Å; L1106-Y1112 HydrophobicContact CG-CD2 3.95Å; S1108-Y1112 PolarHBondContact O-N 3.15Å; E1110-Y1112 VanDerWaalsContact C-N 3.31Å; E1110-Y1112 PolarHBondContact O-N 2.7Å; Y1112-V1116 HydrophobicContact CD2-CB 4.1Å; Y1112-V1116 HydrophobicContact CD2-CG2 3.85Å; Y1112-V1116 HydrophobicContact CE2-CB 3.97Å; Y1112-V1116 HydrophobicContact CE2-CG1 4.02Å; Y1112-V1116 HydrophobicContact CE2-CG2 3.94Å; Y1112-V1116 WeakPolarHBondContact O-CB 3.28Å; Y1112-V1116 PolarHBondContact O-N 3.45Å; Y1112-I1117 HydrophobicContact CD1-CD1 4.06Å; Y1112-I1117 HydrophobicContact CD1-CG1 4.32Å; Y1112-I1117 HydrophobicContact CE1-CD1 3.65Å; Y1112-I1117 HydrophobicContact CE1-CG1 3.96Å; Y1112-I1117 PolarHBondContact O-N 3.22Å |
| 1113 | N | 54 | Low | 66.4 | Low | 72 Ų | 72 | 58.8 Ų | 58.8 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -64.1 | -42.8 | 177.3 | -90.7 | -56.4 | 0 | 0 | 0 | 112.8 | A1109 E1110 I1117 Q1118 | A1109-N1113 PolarHBondContact O-N 2.97Å; A1109-N1113 PolarHBondContact O-ND2 2.8Å; E1110-N1113 PolarHBondContact O-N 3.44Å; N1113-I1117 PolarHBondContact O-N 3.23Å; N1113-Q1118 WeakPolarHBondContact O-CB 3.48Å; N1113-Q1118 WeakPolarHBondContact O-CG 3.05Å; N1113-Q1118 PolarHBondContact O-N 2.97Å |
| 1114 | R | 55.6 | Low | 67 | Low | 89 Ų | 89 | 53.6 Ų | 53.6 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -73.7 | -40.8 | -177.7 | -69.3 | -173.6 | -144.4 | -170.5 | 9.7 | 112.8 | T942 E1110 A1111 | T942-R1114 HydrophobicContact CG2-CB 4.45Å; E1110-R1114 WeakPolarHBondContact O-CB 3.24Å; E1110-R1114 VanDerWaalsContact O-CG 3.29Å; E1110-R1114 WeakPolarHBondContact O-CG 3.29Å; E1110-R1114 PolarHBondContact O-N 3.24Å; E1110-R1114 IonicContact OE1-NH2 3.37Å; E1110-R1114 IonicContact OE2-CZ 3.74Å; E1110-R1114 IonicContact OE2-NH2 3.59Å; E1110-R1114 PolarHBondContact OE2-NH2 3.4Å; A1111-R1114 PolarHBondContact O-N 2.82Å |
| 1115 | I | 56.8 | Low | 67.6 | Low | 26 Ų | 26 | 53.4 Ų | 53.4 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -86.2 | -40.9 | -172.4 | -61.2 | 170 | 0 | 0 | 0 | 111.1 | L1106 A1111 G1120 A1121 D1158 | L1106-I1115 HydrophobicContact CD1-CD1 4.49Å; A1111-I1115 HydrophobicContact CB-CD1 4.01Å; A1111-I1115 WeakPolarHBondContact O-CB 3.41Å; A1111-I1115 WeakPolarHBondContact O-CD1 3.49Å; A1111-I1115 WeakPolarHBondContact O-CG1 3.49Å; A1111-I1115 PolarHBondContact O-N 2.99Å; I1115-G1120 CarbonylContact O-C 3.2Å; I1115-G1120 VanDerWaalsContact O-O 3.09Å; I1115-A1121 WeakPolarHBondContact O-CA 3.37Å; I1115-A1121 PolarHBondContact O-N 3.24Å; I1115-D1158 HydrophobicContact CD1-CB 4.46Å |
| 1116 | V | 58.5 | Low | 68.5 | Low | 27 Ų | 27 | 45.3 Ų | 45.3 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -102.8 | -52.7 | -170.2 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | L1100 L1106 Y1112 | L1100-V1116 HydrophobicContact CB-CG1 4.48Å; L1100-V1116 HydrophobicContact CD1-CG1 4.11Å; L1100-V1116 HydrophobicContact CD1-CG2 4.17Å; L1106-V1116 HydrophobicContact CD1-CG2 3.99Å; Y1112-V1116 HydrophobicContact CD2-CB 4.1Å; Y1112-V1116 HydrophobicContact CD2-CG2 3.85Å; Y1112-V1116 HydrophobicContact CE2-CB 3.97Å; Y1112-V1116 HydrophobicContact CE2-CG1 4.02Å; Y1112-V1116 HydrophobicContact CE2-CG2 3.94Å; Y1112-V1116 WeakPolarHBondContact O-CB 3.28Å; Y1112-V1116 PolarHBondContact O-N 3.45Å |
| 1117 | I | 55.7 | Low | 69.6 | Low | 104 Ų | 104 | 44.7 Ų | 44.7 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -80.1 | -48.7 | -168.8 | -60.8 | -170.2 | 0 | 0 | 0 | 112.6 | Y1112 N1113 | Y1112-I1117 HydrophobicContact CD1-CD1 4.06Å; Y1112-I1117 HydrophobicContact CD1-CG1 4.32Å; Y1112-I1117 HydrophobicContact CE1-CD1 3.65Å; Y1112-I1117 HydrophobicContact CE1-CG1 3.96Å; Y1112-I1117 PolarHBondContact O-N 3.22Å; N1113-I1117 PolarHBondContact O-N 3.23Å |
| 1118 | Q | 54.9 | Low | 71 | Confident | 140 Ų | 140 | 40.2 Ų | 40.2 | 65% | 0.654 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -23.3 | -169.8 | -72.5 | -175.9 | -7.6 | 0 | 0 | 114.5 | N1113 | N1113-Q1118 WeakPolarHBondContact O-CB 3.48Å; N1113-Q1118 WeakPolarHBondContact O-CG 3.05Å; N1113-Q1118 PolarHBondContact O-N 2.97Å |
| 1119 | R | 58.5 | Low | 72.8 | Confident | 55 Ų | 55 | 38.9 Ų | 38.9 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | -6.8 | -165.6 | -63 | -168.6 | 175.9 | -179.6 | 2.5 | 116.3 | T942 D945 H1091 | T942-R1119 PolarHBondContact OG1-NH1 3.22Å; D945-R1119 IonicContact OD1-CZ 3.01Å; D945-R1119 IonicContact OD1-NH1 2.71Å; D945-R1119 PolarHBondContact OD1-NH1 2.85Å; D945-R1119 IonicContact OD1-NH2 3.8Å; D945-R1119 IonicContact OD2-CZ 2.8Å; D945-R1119 IonicContact OD2-NH1 3.41Å; D945-R1119 PolarHBondContact OD2-NH1 2.73Å; D945-R1119 IonicContact OD2-NH2 3.75Å; H1091-R1119 PolarHBondContact CD2-O 3.02Å; H1091-R1119 PolarHBondContact NE2-O 3.1Å |
| 1120 | G | 72.4 | Confident | 74.9 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | trans | 77.3 | 136.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q944 I1115 | Q944-G1120 PolarHBondContact NE2-O 3.06Å; I1115-G1120 CarbonylContact O-C 3.2Å; I1115-G1120 VanDerWaalsContact O-O 3.09Å | ||
| 1121 | A | 82.9 | Confident | 76.8 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | trans | -63.8 | 149 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1091 L1097 L1100 I1115 C1162 | H1091-A1121 PolarHBondContact ND1-O 3.33Å; L1097-A1121 HydrophobicContact CD1-CB 3.77Å; L1100-A1121 HydrophobicContact CD1-CB 4.41Å; I1115-A1121 WeakPolarHBondContact O-CA 3.37Å; I1115-A1121 PolarHBondContact O-N 3.24Å; A1121-C1162 HydrophobicContact CB-CB 4.5Å | ||
| 1122 | T | 88.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | trans | -62.3 | 139.5 | 178 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | Q944 C1089 L1097 E1159 | Q944-T1122 WeakPolarHBondContact CG-OG1 3.27Å; Q944-T1122 PolarHBondContact NE2-OG1 3.44Å; C1089-T1122 HydrophobicContact CB-CG2 4.14Å; L1097-T1122 WeakPolarHBondContact CD1-O 3.11Å; T1122-E1159 PolarHBondContact OG1-OE1 2.99Å | ||
| 1123 | T | 93.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 159.4 | 172.7 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | C1089 G1090 L1097 R1137 N1138 | C1089-T1123 WeakPolarHBondContact CA-O 3.47Å; G1090-T1123 PolarHBondContact N-O 3.07Å; G1090-T1123 PolarHBondContact O-N 3.28Å; G1090-T1123 PolarHBondContact O-OG1 2.77Å; L1097-T1123 HydrophobicContact CD2-CG2 4.16Å; L1097-T1123 HydrophobicContact CG-CG2 3.73Å; T1123-R1137 PolarHBondContact OG1-NE 3.27Å; T1123-N1138 WeakPolarHBondContact CB-OD1 3.4Å; T1123-N1138 WeakPolarHBondContact CG2-OD1 3.41Å |
| 1124 | I | 95.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.2 | 172.8 | -60 | -179.8 | 0 | 0 | 0 | 107.8 | T1143 L1147 L1150 L1151 I1163 A1563 | I1124-T1143 HydrophobicContact CB-CG2 4.47Å; I1124-T1143 HydrophobicContact CD1-CG2 4.13Å; I1124-L1147 HydrophobicContact CD1-CB 4.38Å; I1124-L1150 HydrophobicContact CG2-CD1 4.14Å; I1124-L1151 HydrophobicContact CD1-CD1 3.93Å; I1124-L1151 HydrophobicContact CD1-CG 4.34Å; I1124-L1151 HydrophobicContact CG1-CD1 4.45Å; I1124-I1163 HydrophobicContact CD1-CD1 4.15Å; I1124-I1163 HydrophobicContact CG1-CD1 3.92Å; I1124-A1563 HydrophobicContact CG2-CB 3.64Å |
| 1125 | S | 96.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -67 | 130.4 | 163.7 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | L1088 G1127 F1131 A1563 | L1088-S1125 WeakPolarHBondContact O-CB 3.22Å; L1088-S1125 PolarHBondContact O-N 3.02Å; S1125-G1127 PolarHBondContact O-N 3.29Å; S1125-G1127 PolarHBondContact OG-N 2.8Å; S1125-G1127 PolarHBondContact OG-O 3.38Å; S1125-F1131 PolarHBondContact OG-O 3.12Å; S1125-A1563 VanDerWaalsContact O-CB 3.27Å; S1125-A1563 WeakPolarHBondContact O-CB 3.19Å | ||
| 1126 | A | 96.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -59.2 | -39.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1131 R1137 W1139 D1142 Q1562 A1563 | A1126-F1131 HydrophobicContact CB-CB 3.81Å; A1126-F1131 HydrophobicContact CB-CD2 4.28Å; A1126-F1131 HydrophobicContact CB-CG 4.18Å; A1126-R1137 PolarHBondContact N-O 3.34Å; A1126-W1139 HydrophobicContact CB-CG 4.39Å; A1126-D1142 HydrophobicContact CB-CB 3.85Å; A1126-Q1562 PolarHBondContact O-NE2 2.87Å; A1126-Q1562 PolarHBondContact O-OE1 2.85Å; A1126-A1563 PolarHBondContact O-N 3.05Å |
| 1127 | G | 97.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | 164.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1125 F1131 A1561 | S1125-G1127 PolarHBondContact O-N 3.29Å; S1125-G1127 PolarHBondContact OG-N 2.8Å; S1125-G1127 PolarHBondContact OG-O 3.38Å; G1127-F1131 CarbonylContact O-C 3.6Å; G1127-F1131 WeakPolarHBondContact O-CA 3.35Å; G1127-F1131 WeakPolarHBondContact O-CB 3.12Å; G1127-F1131 PolarHBondContact O-N 2.88Å; G1127-A1561 CarbonylContact C-O 3.54Å; G1127-A1561 WeakPolarHBondContact CA-O 3.49Å |
| 1128 | L | 97.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.5 | 178.8 | -51.4 | 176.4 | 0 | 0 | 0 | 109.8 | W953 E956 Y977 L1088 A1132 W1541 C1559 E1560 A1561 | W953-L1128 HydrophobicContact CB-CD1 4.37Å; W953-L1128 HydrophobicContact CB-CD2 4.45Å; E956-L1128 HydrophobicContact CG-CD2 4.45Å; Y977-L1128 HydrophobicContact CE1-CD1 3.95Å; L1088-L1128 HydrophobicContact CD2-CG 4.32Å; L1128-A1132 HydrophobicContact CD2-CB 3.48Å; L1128-A1132 VanDerWaalsContact CD2-CB 3.48Å; L1128-W1541 HydrophobicContact CB-CE3 4.27Å; L1128-W1541 HydrophobicContact CB-CH2 4.44Å; L1128-W1541 HydrophobicContact CB-CZ3 3.64Å; L1128-C1559 WeakPolarHBondContact O-CA 3.41Å; L1128-C1559 WeakPolarHBondContact O-CB 3.48Å; L1128-E1560 PolarHBondContact O-N 3.33Å; L1128-A1561 HydrophobicContact CB-CB 4.32Å; L1128-A1561 PolarHBondContact N-O 3.04Å; L1128-A1561 PolarHBondContact O-N 2.92Å |
| 1129 | P | 95.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 17% | 0.169 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.8 | -16 | 5 | 33.4 | -33.2 | 0 | 0 | 0 | 115.3 | W953 F1131 A1132 W1541 | W953-P1129 HydrophobicContact CD2-CB 3.86Å; W953-P1129 VanDerWaalsContact CE2-CB 3.43Å; W953-P1129 HydrophobicContact CE3-CB 4.29Å; W953-P1129 HydrophobicContact CG-CB 4.43Å; W953-P1129 HydrophobicContact CH2-CB 3.99Å; W953-P1129 HydrophobicContact CZ2-CB 3.54Å; W953-P1129 HydrophobicContact CZ3-CB 4.32Å; P1129-F1131 PolarHBondContact O-N 2.85Å; P1129-A1132 WeakPolarHBondContact O-CB 3.26Å; P1129-W1541 HydrophobicContact CB-CH2 4.05Å; P1129-W1541 HydrophobicContact CG-CH2 4.19Å |
| 1130 | H | 94.8 | Very high | 93.2 | Very high | 100 Ų | 100 | 24.8 Ų | 24.8 | 46% | 0.463 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30.8 | -161.8 | -55.6 | -52.1 | 0 | 0 | 0 | 114.4 | C1559 | H1130-C1559 VanDerWaalsContact CD2-SG 3.57Š|
| 1131 | F | 96.3 | Very high | 94.3 | Very high | 52 Ų | 52 | 24 Ų | 24 | 23% | 0.228 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 38.8 | -175.5 | -53.4 | -65.8 | 0 | 0 | 0 | 111.7 | S1125 A1126 G1127 P1129 F1136 R1137 W1139 C1559 | S1125-F1131 PolarHBondContact OG-O 3.12Å; A1126-F1131 HydrophobicContact CB-CB 3.81Å; A1126-F1131 HydrophobicContact CB-CD2 4.28Å; A1126-F1131 HydrophobicContact CB-CG 4.18Å; G1127-F1131 CarbonylContact O-C 3.6Å; G1127-F1131 WeakPolarHBondContact O-CA 3.35Å; G1127-F1131 WeakPolarHBondContact O-CB 3.12Å; G1127-F1131 PolarHBondContact O-N 2.88Å; P1129-F1131 PolarHBondContact O-N 2.85Å; F1131-F1136 WeakPolarHBondContact CB-O 3.45Å; F1131-F1136 HydrophobicContact CD1-CB 4.35Å; F1131-R1137 VanDerWaalsContact O-CA 3.29Å; F1131-R1137 WeakPolarHBondContact O-CA 3.27Å; F1131-W1139 AromaticContact CD1-NE1 3.56Å; F1131-W1139 HydrophobicContact CE1-CZ2 4.42Å; F1131-C1559 VanDerWaalsContact CD2-SG 3.56Å |
| 1132 | A | 94.5 | Very high | 95 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -88.8 | -28.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | W953 E956 L1128 P1129 R1137 | W953-A1132 HydrophobicContact CE3-CB 3.73Å; W953-A1132 HydrophobicContact CZ3-CB 4.09Å; E956-A1132 HydrophobicContact CG-CB 3.79Å; L1128-A1132 HydrophobicContact CD2-CB 3.48Å; L1128-A1132 VanDerWaalsContact CD2-CB 3.48Å; P1129-A1132 WeakPolarHBondContact O-CB 3.26Å; A1132-R1137 WeakPolarHBondContact O-CD 3.4Å; A1132-R1137 PolarHBondContact O-NH1 3.21Å |
| 1133 | T | 95.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 24.1 Ų | 24.1 | 28% | 0.276 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -144.3 | 169 | -168 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | G955 E956 V1092 R1137 | G955-T1133 WeakPolarHBondContact O-CG2 3.19Å; E956-T1133 HydrophobicContact CB-CG2 4.44Å; E956-T1133 HydrophobicContact CG-CG2 4.22Å; V1092-T1133 HydrophobicContact CG1-CG2 4.13Å; T1133-R1137 PolarHBondContact O-N 3.03Å |
| 1134 | G | 93.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 24.2 Ų | 24.2 | 24% | 0.237 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | 61.5 | -152.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1094 A1095 F1136 R1137 | S1094-G1134 CarbonylContact O-C 3.6Å; S1094-G1134 WeakPolarHBondContact O-CA 3.5Å; S1094-G1134 PolarHBondContact OG-N 3.24Å; A1095-G1134 WeakPolarHBondContact CB-O 3.49Å; G1134-F1136 PolarHBondContact O-N 3.39Å; G1134-R1137 PolarHBondContact O-N 3.16Å |
| 1135 | L | 91 | Very high | 95.8 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 37% | 0.372 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -56 | -34.7 | 179.4 | -66.9 | 167.4 | 0 | 0 | 0 | 112.2 | R1137 L1179 H1185 | L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 2.81Å; L1135-L1179 WeakPolarHBondContact O-CD1 3.37Å; L1135-H1185 HydrophobicContact CD2-CB 3.67Å |
| 1136 | F | 92.8 | Very high | 95.9 | Very high | 118 Ų | 118 | 24.2 Ų | 24.2 | 52% | 0.518 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -83.9 | 4.1 | -172.8 | -55.4 | -61.5 | 0 | 0 | 0 | 115 | F1131 G1134 W1139 L1179 | F1131-F1136 WeakPolarHBondContact CB-O 3.45Å; F1131-F1136 HydrophobicContact CD1-CB 4.35Å; G1134-F1136 PolarHBondContact O-N 3.39Å; F1136-W1139 AromaticContact CD1-CZ2 3.89Å; F1136-W1139 HydrophobicContact CD1-CZ2 3.89Å; F1136-W1139 PolarHBondContact O-NE1 3.35Å; F1136-L1179 HydrophobicContact CD1-CD1 4.23Å |
| 1137 | R | 95 | Very high | 96 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -73.2 | -47.9 | 179.1 | -175.7 | -177.2 | 176.2 | 79.6 | 0.5 | 112.9 | E956 G1090 A1095 T1123 A1126 F1131 A1132 T1133 G1134 L1135 | E956-R1137 IonicContact OE1-CZ 2.73Å; E956-R1137 IonicContact OE1-NH1 2.86Å; E956-R1137 PolarHBondContact OE1-NH1 2.91Å; E956-R1137 IonicContact OE1-NH2 3.8Å; G1090-R1137 PolarHBondContact O-NH2 3.49Å; G1090-R1137 VanDerWaalsContact O-NH2 3.16Å; A1095-R1137 HydrophobicContact CB-CB 3.69Å; A1095-R1137 HydrophobicContact CB-CG 4.23Å; T1123-R1137 PolarHBondContact OG1-NE 3.27Å; A1126-R1137 PolarHBondContact N-O 3.34Å; F1131-R1137 VanDerWaalsContact O-CA 3.29Å; F1131-R1137 WeakPolarHBondContact O-CA 3.27Å; A1132-R1137 WeakPolarHBondContact O-CD 3.4Å; A1132-R1137 PolarHBondContact O-NH1 3.21Å; T1133-R1137 PolarHBondContact O-N 3.03Å; G1134-R1137 PolarHBondContact O-N 3.16Å; L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 2.81Å |
| 1138 | N | 95 | Very high | 95.9 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -102.1 | 103.9 | -167.1 | -69.1 | -68.6 | 0 | 0 | 0 | 110.4 | A1095 T1123 L1180 | A1095-N1138 PolarHBondContact O-ND2 2.79Å; A1095-N1138 VanDerWaalsContact O-ND2 3.1Å; T1123-N1138 WeakPolarHBondContact CB-OD1 3.4Å; T1123-N1138 WeakPolarHBondContact CG2-OD1 3.41Å; N1138-L1180 HydrophobicContact CB-CB 3.76Å; N1138-L1180 HydrophobicContact CB-CD2 3.93Å; N1138-L1180 HydrophobicContact CB-CG 4.48Å; N1138-L1180 PolarHBondContact O-N 3.06Å | ||
| 1139 | W | 96.7 | Very high | 95.9 | Very high | 47 Ų | 47 | 25 Ų | 25 | 18% | 0.178 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -109.6 | 119.5 | 172.6 | -61.8 | 88 | 0 | 0 | 0 | 109.5 | A1126 F1131 F1136 R1141 D1142 T1143 N1178 L1179 | A1126-W1139 HydrophobicContact CB-CG 4.39Å; F1131-W1139 AromaticContact CD1-NE1 3.56Å; F1131-W1139 HydrophobicContact CE1-CZ2 4.42Å; F1136-W1139 AromaticContact CD1-CZ2 3.89Å; F1136-W1139 HydrophobicContact CD1-CZ2 3.89Å; F1136-W1139 PolarHBondContact O-NE1 3.35Å; W1139-R1141 VanDerWaalsContact C-N 3.27Å; W1139-R1141 PolarHBondContact O-N 2.73Å; W1139-D1142 HydrophobicContact CB-CB 4.14Å; W1139-D1142 PolarHBondContact O-N 3.28Å; W1139-T1143 WeakPolarHBondContact O-CB 3.47Å; W1139-T1143 PolarHBondContact O-N 3.36Å; W1139-T1143 PolarHBondContact O-OG1 3.4Å; W1139-N1178 CarbonylContact C-O 3.39Å; W1139-N1178 WeakPolarHBondContact CA-O 3.44Å; W1139-N1178 HydrophobicContact CE3-CB 4.47Å; W1139-L1179 HydrophobicContact CD2-CD1 4.2Å; W1139-L1179 HydrophobicContact CE3-CB 4.34Å; W1139-L1179 HydrophobicContact CE3-CD1 4.22Å; W1139-L1179 HydrophobicContact CH2-CD1 3.84Å; W1139-L1179 HydrophobicContact CZ2-CD1 3.78Å; W1139-L1179 HydrophobicContact CZ3-CB 4.09Å; W1139-L1179 HydrophobicContact CZ3-CD1 4.05Å |
| 1140 | G | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.8 | -40.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1144 Y1167 N1178 | G1140-F1144 WeakPolarHBondContact O-CB 3.29Å; G1140-F1144 WeakPolarHBondContact O-CD2 3.33Å; G1140-F1144 PolarHBondContact O-N 3.26Å; G1140-Y1167 VanDerWaalsContact CA-CE1 3.48Å; G1140-Y1167 PolarHBondContact N-OH 3.01Å; G1140-N1178 PolarHBondContact N-O 2.72Å |
| 1141 | R | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.2 | -62.1 | 173.7 | 177.6 | -172.2 | -65.3 | 138.6 | 1 | 112.1 | W1139 T1143 F1144 I1145 N1178 D1192 T1297 W1298 D1300 | W1139-R1141 VanDerWaalsContact C-N 3.27Å; W1139-R1141 PolarHBondContact O-N 2.73Å; R1141-T1143 VanDerWaalsContact C-N 3.27Å; R1141-T1143 PolarHBondContact O-N 3.07Å; R1141-F1144 PolarHBondContact O-N 3.43Å; R1141-I1145 HydrophobicContact CG-CD1 3.73Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; R1141-I1145 PolarHBondContact O-N 3.33Å; R1141-N1178 PolarHBondContact NH1-ND2 3.27Å; R1141-D1192 IonicContact CZ-OD1 3.53Å; R1141-D1192 IonicContact CZ-OD2 3.52Å; R1141-D1192 VanDerWaalsContact NE-CG 3.32Å; R1141-D1192 IonicContact NE-OD1 2.67Å; R1141-D1192 PolarHBondContact NE-OD1 3.01Å; R1141-D1192 IonicContact NE-OD2 3.45Å; R1141-D1192 PolarHBondContact NE-OD2 3.01Å; R1141-D1192 IonicContact NH2-OD1 3.53Å; R1141-D1192 PolarHBondContact NH2-OD1 3.25Å; R1141-D1192 IonicContact NH2-OD2 2.75Å; R1141-D1192 PolarHBondContact NH2-OD2 3.35Å; R1141-T1297 PolarHBondContact NH2-O 3.22Å; R1141-W1298 VanDerWaalsContact CD-CB 3.45Å; R1141-W1298 HydrophobicContact CG-CB 4.47Å; R1141-W1298 VanDerWaalsContact CZ-CA 3.45Å; R1141-W1298 VanDerWaalsContact NE-CA 3.32Å; R1141-D1300 IonicContact CZ-OD2 3.84Å; R1141-D1300 IonicContact NH1-OD2 3.68Å; R1141-D1300 PolarHBondContact NH1-OD2 3.08Å |
| 1142 | D | 97.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 6% | 0.064 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.2 | -42.5 | -178.5 | -63.8 | -121.2 | 0 | 0 | 0 | 111.5 | A1126 W1139 F1144 I1145 A1146 W1564 | A1126-D1142 HydrophobicContact CB-CB 3.85Å; W1139-D1142 HydrophobicContact CB-CB 4.14Å; W1139-D1142 PolarHBondContact O-N 3.28Å; D1142-F1144 PolarHBondContact O-N 2.99Å; D1142-I1145 PolarHBondContact O-N 3.41Å; D1142-A1146 WeakPolarHBondContact O-CB 3.49Å; D1142-A1146 PolarHBondContact O-N 3.16Å; D1142-W1564 VanDerWaalsContact OD1-CZ2 3.3Å; D1142-W1564 WeakPolarHBondContact OD1-CZ2 3.48Å |
| 1143 | T | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.2 | -53.7 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | I1124 W1139 R1141 A1146 L1147 I1163 Y1167 | I1124-T1143 HydrophobicContact CB-CG2 4.47Å; I1124-T1143 HydrophobicContact CD1-CG2 4.13Å; W1139-T1143 WeakPolarHBondContact O-CB 3.47Å; W1139-T1143 PolarHBondContact O-N 3.36Å; W1139-T1143 PolarHBondContact O-OG1 3.4Å; R1141-T1143 VanDerWaalsContact C-N 3.27Å; R1141-T1143 PolarHBondContact O-N 3.07Å; T1143-A1146 PolarHBondContact O-N 3.4Å; T1143-L1147 WeakPolarHBondContact O-CB 3.13Å; T1143-L1147 PolarHBondContact O-N 3.37Å; T1143-I1163 HydrophobicContact CG2-CG2 3.49Å; T1143-I1163 VanDerWaalsContact CG2-CG2 3.49Å; T1143-Y1167 HydrophobicContact CG2-CE2 4.02Å; T1143-Y1167 PolarHBondContact OG1-OH 3.12Å |
| 1144 | F | 98.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -83 | -17.4 | -174 | -64.6 | -57.2 | 0 | 0 | 0 | 114 | G1140 R1141 D1142 L1147 I1163 I1164 Y1167 I1176 W1196 W1197 C1200 | G1140-F1144 WeakPolarHBondContact O-CB 3.29Å; G1140-F1144 WeakPolarHBondContact O-CD2 3.33Å; G1140-F1144 PolarHBondContact O-N 3.26Å; R1141-F1144 PolarHBondContact O-N 3.43Å; D1142-F1144 PolarHBondContact O-N 2.99Å; F1144-L1147 HydrophobicContact CD1-CD1 4.12Å; F1144-L1147 HydrophobicContact CE1-CD1 4.1Å; F1144-I1163 HydrophobicContact CE1-CG2 4.07Å; F1144-I1163 HydrophobicContact CZ-CG2 4.27Å; F1144-I1164 HydrophobicContact CE1-CG1 4.33Å; F1144-Y1167 AromaticContact CE2-CD1 3.78Å; F1144-Y1167 HydrophobicContact CE2-CD1 3.78Å; F1144-Y1167 AromaticContact CE2-CD2 3.97Å; F1144-Y1167 HydrophobicContact CE2-CD2 3.97Å; F1144-Y1167 HydrophobicContact CE2-CE1 4.19Å; F1144-Y1167 HydrophobicContact CE2-CE2 4.35Å; F1144-Y1167 AromaticContact CE2-CG 3.64Å; F1144-Y1167 HydrophobicContact CE2-CG 3.64Å; F1144-Y1167 HydrophobicContact CZ-CD1 4.16Å; F1144-Y1167 AromaticContact CZ-CD2 3.55Å; F1144-Y1167 HydrophobicContact CZ-CD2 3.55Å; F1144-Y1167 HydrophobicContact CZ-CE2 4.15Å; F1144-Y1167 AromaticContact CZ-CG 3.52Å; F1144-Y1167 HydrophobicContact CZ-CG 3.52Å; F1144-I1176 HydrophobicContact CE2-CG2 4.03Å; F1144-W1196 HydrophobicContact CB-CB 3.58Å; F1144-W1197 HydrophobicContact CD1-CB 4.37Å; F1144-W1197 HydrophobicContact CD2-CB 3.71Å; F1144-W1197 HydrophobicContact CD2-CG 4.48Å; F1144-W1197 HydrophobicContact CE1-CB 4.49Å; F1144-W1197 AromaticContact CE1-CD1 3.63Å; F1144-W1197 HydrophobicContact CE1-CG 4.46Å; F1144-W1197 HydrophobicContact CE2-CB 3.87Å; F1144-W1197 AromaticContact CE2-CD1 3.8Å; F1144-W1197 HydrophobicContact CE2-CG 4.19Å; F1144-W1197 HydrophobicContact CG-CB 4.04Å; F1144-W1197 HydrophobicContact CZ-CB 4.29Å; F1144-W1197 AromaticContact CZ-CD1 3.41Å; F1144-W1197 VanDerWaalsContact CZ-CD1 3.41Å; F1144-W1197 HydrophobicContact CZ-CG 4.21Å; F1144-C1200 HydrophobicContact CD1-CB 4Å; F1144-C1200 PolarHBondContact O-SG 3.4Å |
| 1145 | I | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.4 | -40.2 | 165.2 | -67.9 | 170.4 | 0 | 0 | 0 | 110 | R1141 D1142 W1196 W1494 Y1498 W1564 | R1141-I1145 HydrophobicContact CG-CD1 3.73Å; R1141-I1145 WeakPolarHBondContact O-CG1 3.35Å; R1141-I1145 PolarHBondContact O-N 3.33Å; D1142-I1145 PolarHBondContact O-N 3.41Å; I1145-W1196 HydrophobicContact CD1-CD2 4.36Å; I1145-W1196 HydrophobicContact CD1-CZ2 4.07Å; I1145-W1196 HydrophobicContact CG1-CD2 3.57Å; I1145-W1196 HydrophobicContact CG1-CE3 3.91Å; I1145-W1196 HydrophobicContact CG1-CG 3.97Å; I1145-W1196 HydrophobicContact CG1-CH2 4.19Å; I1145-W1196 HydrophobicContact CG1-CZ2 3.88Å; I1145-W1196 HydrophobicContact CG1-CZ3 4.22Å; I1145-W1494 HydrophobicContact CD1-CH2 4.12Å; I1145-W1494 HydrophobicContact CD1-CZ2 4.28Å; I1145-W1494 HydrophobicContact CD1-CZ3 4.34Å; I1145-W1494 HydrophobicContact CG2-CD2 4.33Å; I1145-W1494 HydrophobicContact CG2-CE3 3.84Å; I1145-W1494 HydrophobicContact CG2-CZ3 4.19Å; I1145-Y1498 HydrophobicContact CG2-CE2 4.31Å; I1145-W1564 HydrophobicContact CB-CB 4.31Å; I1145-W1564 HydrophobicContact CB-CE3 4.41Å; I1145-W1564 HydrophobicContact CD1-CE3 3.67Å; I1145-W1564 HydrophobicContact CD1-CZ3 3.92Å; I1145-W1564 HydrophobicContact CG2-CB 3.66Å; I1145-W1564 HydrophobicContact CG2-CE3 4.23Å |
| 1146 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -85 | -24.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1142 T1143 R1148 G1149 L1150 A1563 W1564 | D1142-A1146 WeakPolarHBondContact O-CB 3.49Å; D1142-A1146 PolarHBondContact O-N 3.16Å; T1143-A1146 PolarHBondContact O-N 3.4Å; A1146-R1148 VanDerWaalsContact C-N 3.34Å; A1146-R1148 PolarHBondContact O-N 3.06Å; A1146-G1149 PolarHBondContact O-N 3.01Å; A1146-L1150 HydrophobicContact CB-CD1 3.7Å; A1146-L1150 HydrophobicContact CB-CG 4.01Å; A1146-L1150 WeakPolarHBondContact O-CB 3.3Å; A1146-L1150 WeakPolarHBondContact O-CG 3.43Å; A1146-L1150 PolarHBondContact O-N 3.36Å; A1146-A1563 HydrophobicContact CB-CB 3.77Å; A1146-W1564 HydrophobicContact CB-CB 4.43Å |
| 1147 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.6 | -39.4 | -168.3 | -179.8 | 149.1 | 0 | 0 | 0 | 113.5 | I1124 T1143 F1144 L1151 L1152 A1160 I1163 I1164 C1200 | I1124-L1147 HydrophobicContact CD1-CB 4.38Å; T1143-L1147 WeakPolarHBondContact O-CB 3.13Å; T1143-L1147 PolarHBondContact O-N 3.37Å; F1144-L1147 HydrophobicContact CD1-CD1 4.12Å; F1144-L1147 HydrophobicContact CE1-CD1 4.1Å; L1147-L1151 HydrophobicContact CD1-CD1 4.44Å; L1147-L1151 HydrophobicContact CG-CD1 4.2Å; L1147-L1151 WeakPolarHBondContact O-CA 3.29Å; L1147-L1151 WeakPolarHBondContact O-CB 3.49Å; L1147-L1151 PolarHBondContact O-N 3.23Å; L1147-L1152 HydrophobicContact CD2-CD1 3.99Å; L1147-L1152 HydrophobicContact CD2-CD2 4.34Å; L1147-L1152 HydrophobicContact CD2-CG 3.9Å; L1147-L1152 PolarHBondContact O-N 3.03Å; L1147-A1160 HydrophobicContact CD1-CB 4.37Å; L1147-A1160 HydrophobicContact CD2-CB 4.06Å; L1147-A1160 HydrophobicContact CG-CB 4.28Å; L1147-I1163 HydrophobicContact CD1-CB 4.25Å; L1147-I1163 HydrophobicContact CD1-CG2 3.95Å; L1147-I1164 HydrophobicContact CD1-CG1 4.17Å; L1147-C1200 HydrophobicContact CD2-CB 4.03Å |
| 1148 | R | 96.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 11.1 Ų | 11.1 | 7% | 0.068 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -61.3 | -55.9 | 177.8 | 174.1 | 178.6 | -177.8 | -110.3 | 2.1 | 110.3 | A1146 L1152 V1153 Y1203 M1207 E1571 D1575 | A1146-R1148 VanDerWaalsContact C-N 3.34Å; A1146-R1148 PolarHBondContact O-N 3.06Å; R1148-L1152 HydrophobicContact CB-CD1 4.39Å; R1148-L1152 WeakPolarHBondContact O-CA 3.45Å; R1148-L1152 WeakPolarHBondContact O-CB 3.16Å; R1148-L1152 PolarHBondContact O-N 3.19Å; R1148-L1152 VanDerWaalsContact O-N 3.07Å; R1148-V1153 HydrophobicContact CG-CG2 4.28Å; R1148-V1153 WeakPolarHBondContact O-CG2 3.49Å; R1148-V1153 PolarHBondContact O-N 3.43Å; R1148-Y1203 HydrophobicContact CB-CD2 4.04Å; R1148-Y1203 HydrophobicContact CB-CE2 4.4Å; R1148-Y1203 VanDerWaalsContact CD-CE2 3.42Å; R1148-Y1203 HydrophobicContact CG-CD2 4.19Å; R1148-Y1203 HydrophobicContact CG-CE2 4.46Å; R1148-Y1203 HydrophobicContact CG-CG 4.45Å; R1148-M1207 HydrophobicContact CG-SD 4.21Å; R1148-E1571 WeakPolarHBondContact CB-OE1 3.4Å; R1148-E1571 HydrophobicContact CG-CG 4.09Å; R1148-E1571 IonicContact CZ-OE2 2.67Å; R1148-E1571 IonicContact NH1-OE2 2.68Å; R1148-E1571 PolarHBondContact NH1-OE2 2.83Å; R1148-D1575 IonicContact CZ-OD1 3.32Å; R1148-D1575 IonicContact NH1-OD1 3.83Å; R1148-D1575 IonicContact NH2-OD1 3.27Å; R1148-D1575 PolarHBondContact NH2-OD1 3.5Å |
| 1149 | G | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -62.9 | -46.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1146 G1567 L1570 E1571 | A1146-G1149 PolarHBondContact O-N 3.01Å; G1149-G1567 WeakPolarHBondContact CA-O 3.29Å; G1149-L1570 WeakPolarHBondContact O-CD1 3.45Å; G1149-E1571 PolarHBondContact N-OE1 3.38Å |
| 1150 | L | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -80 | -25.8 | -172.6 | -61 | -173.4 | 0 | 0 | 0 | 114.5 | I1124 A1146 T1154 A1563 V1566 L1570 | I1124-L1150 HydrophobicContact CG2-CD1 4.14Å; A1146-L1150 HydrophobicContact CB-CD1 3.7Å; A1146-L1150 HydrophobicContact CB-CG 4.01Å; A1146-L1150 WeakPolarHBondContact O-CB 3.3Å; A1146-L1150 WeakPolarHBondContact O-CG 3.43Å; A1146-L1150 PolarHBondContact O-N 3.36Å; L1150-T1154 PolarHBondContact O-OG1 3.37Å; L1150-A1563 HydrophobicContact CD1-CB 3.75Å; L1150-V1566 HydrophobicContact CD2-CB 3.96Å; L1150-V1566 HydrophobicContact CD2-CG1 3.78Å; L1150-L1570 HydrophobicContact CD2-CD1 4.29Å |
| 1151 | L | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -124.8 | -43.7 | -173.1 | -56.3 | -178 | 0 | 0 | 0 | 113.4 | C1089 I1124 L1147 G1155 R1156 E1159 A1160 I1163 | C1089-L1151 HydrophobicContact CB-CD2 4.36Å; I1124-L1151 HydrophobicContact CD1-CD1 3.93Å; I1124-L1151 HydrophobicContact CD1-CG 4.34Å; I1124-L1151 HydrophobicContact CG1-CD1 4.45Å; L1147-L1151 HydrophobicContact CD1-CD1 4.44Å; L1147-L1151 HydrophobicContact CG-CD1 4.2Å; L1147-L1151 WeakPolarHBondContact O-CA 3.29Å; L1147-L1151 WeakPolarHBondContact O-CB 3.49Å; L1147-L1151 PolarHBondContact O-N 3.23Å; L1151-G1155 PolarHBondContact O-N 3.19Å; L1151-R1156 HydrophobicContact CB-CB 4.16Å; L1151-R1156 HydrophobicContact CD2-CB 3.93Å; L1151-R1156 HydrophobicContact CD2-CG 4.47Å; L1151-R1156 WeakPolarHBondContact O-CA 3.4Å; L1151-R1156 WeakPolarHBondContact O-CB 3.34Å; L1151-R1156 PolarHBondContact O-N 3.49Å; L1151-E1159 HydrophobicContact CD1-CB 4.36Å; L1151-E1159 HydrophobicContact CD2-CB 4.48Å; L1151-A1160 HydrophobicContact CB-CB 3.97Å; L1151-A1160 HydrophobicContact CD1-CB 4.17Å; L1151-I1163 HydrophobicContact CD1-CD1 3.55Å |
| 1152 | L | 93.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.016 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -77.2 | -51.5 | -178.3 | -57.9 | -178.3 | 0 | 0 | 0 | 111.7 | L1147 R1148 T1154 G1155 F1157 A1160 Y1204 M1207 V1208 | L1147-L1152 HydrophobicContact CD2-CD1 3.99Å; L1147-L1152 HydrophobicContact CD2-CD2 4.34Å; L1147-L1152 HydrophobicContact CD2-CG 3.9Å; L1147-L1152 PolarHBondContact O-N 3.03Å; R1148-L1152 HydrophobicContact CB-CD1 4.39Å; R1148-L1152 WeakPolarHBondContact O-CA 3.45Å; R1148-L1152 WeakPolarHBondContact O-CB 3.16Å; R1148-L1152 PolarHBondContact O-N 3.19Å; R1148-L1152 VanDerWaalsContact O-N 3.07Å; L1152-T1154 PolarHBondContact O-N 2.64Å; L1152-G1155 PolarHBondContact O-N 2.9Å; L1152-F1157 HydrophobicContact CD2-CD1 4.19Å; L1152-F1157 WeakPolarHBondContact O-CE1 3.26Å; L1152-A1160 HydrophobicContact CD2-CB 3.65Å; L1152-Y1204 HydrophobicContact CD2-CD2 3.83Å; L1152-Y1204 HydrophobicContact CD2-CE2 4.44Å; L1152-M1207 HydrophobicContact CB-CE 3.94Å; L1152-M1207 HydrophobicContact CB-SD 3.84Å; L1152-M1207 HydrophobicContact CD1-SD 4.14Å; L1152-V1208 HydrophobicContact CD2-CG2 4.36Å |
| 1153 | V | 91.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 10.1 Ų | 10.1 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39 | 177.6 | 165.7 | 0 | 0 | 0 | 0 | 110 | F1070 R1148 G1155 M1207 L1570 E1571 Y1574 | F1070-V1153 HydrophobicContact CD1-CG1 4.39Å; F1070-V1153 WeakPolarHBondContact CD1-O 3.3Å; F1070-V1153 HydrophobicContact CE1-CB 4.42Å; F1070-V1153 HydrophobicContact CE1-CG1 3.27Å; F1070-V1153 WeakPolarHBondContact CE1-O 3.43Å; F1070-V1153 HydrophobicContact CZ-CG1 3.41Å; F1070-V1153 VanDerWaalsContact CZ-CG1 3.41Å; R1148-V1153 HydrophobicContact CG-CG2 4.28Å; R1148-V1153 WeakPolarHBondContact O-CG2 3.49Å; R1148-V1153 PolarHBondContact O-N 3.43Å; V1153-G1155 VanDerWaalsContact C-N 3.34Å; V1153-G1155 PolarHBondContact O-N 2.86Å; V1153-M1207 HydrophobicContact CG2-CE 3.93Å; V1153-L1570 HydrophobicContact CG1-CB 4.34Å; V1153-E1571 HydrophobicContact CG2-CG 4.35Å; V1153-Y1574 HydrophobicContact CG1-CD2 4.13Å; V1153-Y1574 HydrophobicContact CG1-CG 4.15Å; V1153-Y1574 HydrophobicContact CG2-CD1 4.17Å; V1153-Y1574 HydrophobicContact CG2-CD2 4.36Å; V1153-Y1574 HydrophobicContact CG2-CG 3.94Å |
| 1154 | T | 88.6 | Confident | 93.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 17.6 | 176.7 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | L1069 A1082 L1150 L1152 R1156 L1570 | L1069-T1154 WeakPolarHBondContact CD2-O 3.27Å; A1082-T1154 HydrophobicContact CB-CG2 4.34Å; L1150-T1154 PolarHBondContact O-OG1 3.37Å; L1152-T1154 PolarHBondContact O-N 2.64Å; T1154-R1156 VanDerWaalsContact C-N 3.3Å; T1154-R1156 PolarHBondContact O-N 3.3Å; T1154-R1156 VanDerWaalsContact O-N 3.15Å; T1154-R1156 WeakPolarHBondContact OG1-CD 3.46Å; T1154-L1570 HydrophobicContact CG2-CD1 4.1Å |
| 1155 | G | 87.1 | Confident | 93.1 | Very high | 34 Ų | 34 | 10.2 Ų | 10.2 | 35% | 0.351 | 6% | 0.055 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 10.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | L1151 L1152 V1153 F1157 | L1151-G1155 PolarHBondContact O-N 3.19Å; L1152-G1155 PolarHBondContact O-N 2.9Å; V1153-G1155 VanDerWaalsContact C-N 3.34Å; V1153-G1155 PolarHBondContact O-N 2.86Å; G1155-F1157 PolarHBondContact O-N 3.11Å |
| 1156 | R | 87.4 | Confident | 92.9 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 4% | 0.042 | 6% | 0.056 | C | C | . | . | trans | -85 | 53 | -178.8 | -59.4 | 169 | 63.6 | 168.2 | 6.9 | 111.9 | L943 C1089 L1151 T1154 D1158 E1159 A1160 | L943-R1156 HydrophobicContact CD1-CG 3.69Å; C1089-R1156 VanDerWaalsContact CB-NH1 3.33Å; L1151-R1156 HydrophobicContact CB-CB 4.16Å; L1151-R1156 HydrophobicContact CD2-CB 3.93Å; L1151-R1156 HydrophobicContact CD2-CG 4.47Å; L1151-R1156 WeakPolarHBondContact O-CA 3.4Å; L1151-R1156 WeakPolarHBondContact O-CB 3.34Å; L1151-R1156 PolarHBondContact O-N 3.49Å; T1154-R1156 VanDerWaalsContact C-N 3.3Å; T1154-R1156 PolarHBondContact O-N 3.3Å; T1154-R1156 VanDerWaalsContact O-N 3.15Å; T1154-R1156 WeakPolarHBondContact OG1-CD 3.46Å; R1156-D1158 PolarHBondContact O-N 3.4Å; R1156-E1159 IonicContact CZ-OE2 3.56Å; R1156-E1159 IonicContact NE-OE2 3.53Å; R1156-E1159 PolarHBondContact NE-OE2 3.17Å; R1156-E1159 IonicContact NH2-OE1 2.64Å; R1156-E1159 PolarHBondContact NH2-OE1 3.48Å; R1156-E1159 IonicContact NH2-OE2 3.19Å; R1156-E1159 PolarHBondContact NH2-OE2 3.07Å; R1156-E1159 PolarHBondContact O-N 2.89Å; R1156-A1160 PolarHBondContact O-N 2.85Å | ||
| 1157 | F | 89.6 | Confident | 92.8 | Very high | 60 Ų | 60 | 10.2 Ų | 10.2 | 26% | 0.263 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -63.9 | -38.5 | -168.4 | -52.8 | -40.1 | 0 | 0 | 0 | 114.4 | L1152 G1155 E1159 A1160 R1161 Y1204 V1208 | L1152-F1157 HydrophobicContact CD2-CD1 4.19Å; L1152-F1157 WeakPolarHBondContact O-CE1 3.26Å; G1155-F1157 PolarHBondContact O-N 3.11Å; F1157-E1159 VanDerWaalsContact C-N 3.32Å; F1157-E1159 PolarHBondContact O-N 3.43Å; F1157-A1160 PolarHBondContact O-N 3.34Å; F1157-R1161 WeakPolarHBondContact O-CB 3.33Å; F1157-R1161 PolarHBondContact O-N 2.71Å; F1157-Y1204 HydrophobicContact CB-CE2 4.45Å; F1157-Y1204 WeakPolarHBondContact O-CE2 3.35Å; F1157-V1208 HydrophobicContact CB-CG1 4.22Å; F1157-V1208 HydrophobicContact CB-CG2 4.11Å; F1157-V1208 HydrophobicContact CD1-CG2 3.56Å; F1157-V1208 HydrophobicContact CD2-CG1 4.05Å; F1157-V1208 HydrophobicContact CD2-CG2 4.36Å; F1157-V1208 HydrophobicContact CE1-CG2 3.97Å; F1157-V1208 HydrophobicContact CG-CG1 4.08Å; F1157-V1208 HydrophobicContact CG-CG2 3.76Å |
| 1158 | D | 87.5 | Confident | 92.7 | Very high | 28 Ų | 28 | 10.2 Ų | 10.2 | 15% | 0.15 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 179.8 | -79.4 | -33.8 | 0 | 0 | 0 | 112.1 | L1106 S1107 I1115 R1156 R1161 C1162 | L1106-D1158 HydrophobicContact CD1-CB 4.42Å; L1106-D1158 HydrophobicContact CD2-CB 4.34Å; S1107-D1158 VanDerWaalsContact CB-OD2 3.23Å; S1107-D1158 WeakPolarHBondContact CB-OD2 3.27Å; S1107-D1158 PolarHBondContact N-OD1 3.35Å; S1107-D1158 PolarHBondContact OG-OD2 3.27Å; I1115-D1158 HydrophobicContact CD1-CB 4.46Å; R1156-D1158 PolarHBondContact O-N 3.4Å; D1158-R1161 PolarHBondContact O-N 3.38Å; D1158-C1162 PolarHBondContact O-N 2.87Å; D1158-C1162 PolarHBondContact O-SG 3.37Å |
| 1159 | E | 89.4 | Confident | 92.5 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 6% | 0.061 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -70.4 | -42.7 | 177 | -63.8 | -174.9 | 152.2 | 0 | 0 | 111.2 | T1122 L1151 R1156 F1157 R1161 C1162 I1163 | T1122-E1159 PolarHBondContact OG1-OE1 2.99Å; L1151-E1159 HydrophobicContact CD1-CB 4.36Å; L1151-E1159 HydrophobicContact CD2-CB 4.48Å; R1156-E1159 IonicContact CZ-OE2 3.56Å; R1156-E1159 IonicContact NE-OE2 3.53Å; R1156-E1159 PolarHBondContact NE-OE2 3.17Å; R1156-E1159 IonicContact NH2-OE1 2.64Å; R1156-E1159 PolarHBondContact NH2-OE1 3.48Å; R1156-E1159 IonicContact NH2-OE2 3.19Å; R1156-E1159 PolarHBondContact NH2-OE2 3.07Å; R1156-E1159 PolarHBondContact O-N 2.89Å; F1157-E1159 VanDerWaalsContact C-N 3.32Å; F1157-E1159 PolarHBondContact O-N 3.43Å; E1159-R1161 VanDerWaalsContact C-N 3.3Å; E1159-R1161 PolarHBondContact O-N 3.12Å; E1159-C1162 PolarHBondContact O-N 3.21Å; E1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; E1159-I1163 PolarHBondContact O-N 2.93Å |
| 1160 | A | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1147 L1151 L1152 R1156 F1157 C1162 I1163 I1164 Y1204 | L1147-A1160 HydrophobicContact CD1-CB 4.37Å; L1147-A1160 HydrophobicContact CD2-CB 4.06Å; L1147-A1160 HydrophobicContact CG-CB 4.28Å; L1151-A1160 HydrophobicContact CB-CB 3.97Å; L1151-A1160 HydrophobicContact CD1-CB 4.17Å; L1152-A1160 HydrophobicContact CD2-CB 3.65Å; R1156-A1160 PolarHBondContact O-N 2.85Å; F1157-A1160 PolarHBondContact O-N 3.34Å; A1160-C1162 PolarHBondContact O-N 2.96Å; A1160-I1163 PolarHBondContact O-N 2.97Å; A1160-I1164 WeakPolarHBondContact O-CB 3.36Å; A1160-I1164 VanDerWaalsContact O-CG1 3.27Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.16Å; A1160-I1164 PolarHBondContact O-N 2.7Å; A1160-Y1204 HydrophobicContact CB-CD2 4.28Å; A1160-Y1204 HydrophobicContact CB-CE2 4.28Å |
| 1161 | R | 93.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 9.4 Ų | 9.4 | 13% | 0.125 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 177.1 | -169.1 | 179.7 | -174.9 | -170.2 | -2.1 | 111.8 | K1105 F1157 D1158 E1159 I1163 I1164 L1165 Y1204 I1214 D1217 | K1105-R1161 PolarHBondContact O-NH1 3.08Å; K1105-R1161 PolarHBondContact O-NH2 3.16Å; F1157-R1161 WeakPolarHBondContact O-CB 3.33Å; F1157-R1161 PolarHBondContact O-N 2.71Å; D1158-R1161 PolarHBondContact O-N 3.38Å; E1159-R1161 VanDerWaalsContact C-N 3.3Å; E1159-R1161 PolarHBondContact O-N 3.12Å; R1161-I1163 PolarHBondContact O-N 3.21Å; R1161-I1164 PolarHBondContact O-N 2.82Å; R1161-L1165 HydrophobicContact CG-CD1 4.05Å; R1161-L1165 WeakPolarHBondContact O-CB 3.38Å; R1161-L1165 VanDerWaalsContact O-CG 3.28Å; R1161-L1165 WeakPolarHBondContact O-CG 3.5Å; R1161-L1165 PolarHBondContact O-N 3.15Å; R1161-Y1204 HydrophobicContact CB-CE2 3.84Å; R1161-I1214 HydrophobicContact CB-CD1 4.44Å; R1161-I1214 HydrophobicContact CG-CD1 3.9Å; R1161-I1214 HydrophobicContact CG-CG1 4.09Å; R1161-D1217 IonicContact CZ-OD1 3.97Å; R1161-D1217 IonicContact CZ-OD2 2.69Å; R1161-D1217 IonicContact NE-OD2 2.72Å; R1161-D1217 PolarHBondContact NE-OD2 3.24Å; R1161-D1217 IonicContact NH2-OD1 3.43Å; R1161-D1217 PolarHBondContact NH2-OD1 3.18Å; R1161-D1217 IonicContact NH2-OD2 3.79Å; R1161-D1217 PolarHBondContact NH2-OD2 2.96Å |
| 1162 | C | 91.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 177.6 | -70.4 | 0 | 0 | 0 | 0 | 112 | L1100 A1121 D1158 E1159 A1160 L1165 G1166 | L1100-C1162 HydrophobicContact CD1-CB 3.79Å; L1100-C1162 WeakPolarHBondContact CD2-O 3.43Å; A1121-C1162 HydrophobicContact CB-CB 4.5Å; D1158-C1162 PolarHBondContact O-N 2.87Å; D1158-C1162 PolarHBondContact O-SG 3.37Å; E1159-C1162 PolarHBondContact O-N 3.21Å; A1160-C1162 PolarHBondContact O-N 2.96Å; C1162-L1165 PolarHBondContact O-N 3.39Å; C1162-G1166 PolarHBondContact O-N 3.07Å |
| 1163 | I | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 179.3 | -69.8 | 163.1 | 0 | 0 | 0 | 110.8 | L1097 I1124 T1143 F1144 L1147 L1151 E1159 A1160 R1161 L1165 G1166 Y1167 | L1097-I1163 HydrophobicContact CD1-CG1 3.93Å; I1124-I1163 HydrophobicContact CD1-CD1 4.15Å; I1124-I1163 HydrophobicContact CG1-CD1 3.92Å; T1143-I1163 HydrophobicContact CG2-CG2 3.49Å; T1143-I1163 VanDerWaalsContact CG2-CG2 3.49Å; F1144-I1163 HydrophobicContact CE1-CG2 4.07Å; F1144-I1163 HydrophobicContact CZ-CG2 4.27Å; L1147-I1163 HydrophobicContact CD1-CB 4.25Å; L1147-I1163 HydrophobicContact CD1-CG2 3.95Å; L1151-I1163 HydrophobicContact CD1-CD1 3.55Å; E1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; E1159-I1163 PolarHBondContact O-N 2.93Å; A1160-I1163 PolarHBondContact O-N 2.97Å; R1161-I1163 PolarHBondContact O-N 3.21Å; I1163-L1165 VanDerWaalsContact C-N 3.32Å; I1163-L1165 PolarHBondContact O-N 3.13Å; I1163-G1166 PolarHBondContact O-N 3.01Å; I1163-Y1167 HydrophobicContact CG2-CD2 4Å; I1163-Y1167 HydrophobicContact CG2-CE2 4.07Å; I1163-Y1167 WeakPolarHBondContact O-CD2 3.35Å; I1163-Y1167 PolarHBondContact O-N 2.93Å; I1163-Y1167 VanDerWaalsContact O-N 3.07Å |
| 1164 | I | 96.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 178 | -73 | 167 | 0 | 0 | 0 | 110.8 | F1144 L1147 A1160 R1161 A1168 W1197 I1201 Y1204 I1214 L1239 | F1144-I1164 HydrophobicContact CE1-CG1 4.33Å; L1147-I1164 HydrophobicContact CD1-CG1 4.17Å; A1160-I1164 WeakPolarHBondContact O-CB 3.36Å; A1160-I1164 VanDerWaalsContact O-CG1 3.27Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.16Å; A1160-I1164 PolarHBondContact O-N 2.7Å; R1161-I1164 PolarHBondContact O-N 2.82Å; I1164-A1168 WeakPolarHBondContact O-CB 3.37Å; I1164-A1168 PolarHBondContact O-N 2.96Å; I1164-W1197 PolarHBondContact O-NE1 3.25Å; I1164-W1197 VanDerWaalsContact O-NE1 3.08Å; I1164-I1201 HydrophobicContact CG2-CD1 4.11Å; I1164-I1201 HydrophobicContact CG2-CG1 3.66Å; I1164-Y1204 HydrophobicContact CD1-CD2 3.97Å; I1164-Y1204 HydrophobicContact CD1-CG 4.3Å; I1164-I1214 HydrophobicContact CB-CD1 4.45Å; I1164-I1214 HydrophobicContact CD1-CD1 4.12Å; I1164-I1214 HydrophobicContact CG2-CD1 4.07Å; I1164-L1239 HydrophobicContact CG2-CD2 4.17Å |
| 1165 | L | 95.2 | Very high | 93.1 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -71.3 | -35.2 | -178.2 | -65.2 | 173 | 0 | 0 | 0 | 112.6 | L1100 L1104 R1161 C1162 I1163 A1168 G1169 D1217 V1219 L1239 | L1100-L1165 HydrophobicContact CD2-CB 4Å; L1104-L1165 HydrophobicContact CD1-CD1 3.53Å; L1104-L1165 HydrophobicContact CD2-CD1 3.84Å; L1104-L1165 HydrophobicContact CG-CD1 4.34Å; R1161-L1165 HydrophobicContact CG-CD1 4.05Å; R1161-L1165 WeakPolarHBondContact O-CB 3.38Å; R1161-L1165 VanDerWaalsContact O-CG 3.28Å; R1161-L1165 WeakPolarHBondContact O-CG 3.5Å; R1161-L1165 PolarHBondContact O-N 3.15Å; C1162-L1165 PolarHBondContact O-N 3.39Å; I1163-L1165 VanDerWaalsContact C-N 3.32Å; I1163-L1165 PolarHBondContact O-N 3.13Å; L1165-A1168 WeakPolarHBondContact O-CB 3.41Å; L1165-A1168 PolarHBondContact O-N 2.9Å; L1165-G1169 PolarHBondContact O-N 3.21Å; L1165-G1169 VanDerWaalsContact O-N 3.11Å; L1165-D1217 HydrophobicContact CD1-CB 3.98Å; L1165-D1217 HydrophobicContact CD2-CB 3.92Å; L1165-V1219 HydrophobicContact CD2-CG2 3.79Å; L1165-L1239 HydrophobicContact CD2-CB 4.25Å; L1165-L1239 HydrophobicContact CD2-CD1 4.28Å; L1165-L1239 HydrophobicContact CD2-CD2 4.1Å; L1165-L1239 HydrophobicContact CD2-CG 4.44Å |
| 1166 | G | 93 | Very high | 93.6 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1162 I1163 G1169 | C1162-G1166 PolarHBondContact O-N 3.07Å; I1163-G1166 PolarHBondContact O-N 3.01Å; G1166-G1169 PolarHBondContact O-N 3.46Å |
| 1167 | Y | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.6 | -32.9 | 174.6 | -83.3 | -95.1 | 0 | 0 | 0 | 112.8 | L1097 G1140 T1143 F1144 I1163 G1169 C1170 L1171 I1176 P1177 L1180 | L1097-Y1167 HydrophobicContact CD2-CD2 4.44Å; L1097-Y1167 HydrophobicContact CD2-CE2 4.32Å; G1140-Y1167 VanDerWaalsContact CA-CE1 3.48Å; G1140-Y1167 PolarHBondContact N-OH 3.01Å; T1143-Y1167 HydrophobicContact CG2-CE2 4.02Å; T1143-Y1167 PolarHBondContact OG1-OH 3.12Å; F1144-Y1167 AromaticContact CE2-CD1 3.78Å; F1144-Y1167 HydrophobicContact CE2-CD1 3.78Å; F1144-Y1167 AromaticContact CE2-CD2 3.97Å; F1144-Y1167 HydrophobicContact CE2-CD2 3.97Å; F1144-Y1167 HydrophobicContact CE2-CE1 4.19Å; F1144-Y1167 HydrophobicContact CE2-CE2 4.35Å; F1144-Y1167 AromaticContact CE2-CG 3.64Å; F1144-Y1167 HydrophobicContact CE2-CG 3.64Å; F1144-Y1167 HydrophobicContact CZ-CD1 4.16Å; F1144-Y1167 AromaticContact CZ-CD2 3.55Å; F1144-Y1167 HydrophobicContact CZ-CD2 3.55Å; F1144-Y1167 HydrophobicContact CZ-CE2 4.15Å; F1144-Y1167 AromaticContact CZ-CG 3.52Å; F1144-Y1167 HydrophobicContact CZ-CG 3.52Å; I1163-Y1167 HydrophobicContact CG2-CD2 4Å; I1163-Y1167 HydrophobicContact CG2-CE2 4.07Å; I1163-Y1167 WeakPolarHBondContact O-CD2 3.35Å; I1163-Y1167 PolarHBondContact O-N 2.93Å; I1163-Y1167 VanDerWaalsContact O-N 3.07Å; Y1167-G1169 PolarHBondContact O-N 2.96Å; Y1167-C1170 WeakPolarHBondContact O-CA 3.33Å; Y1167-C1170 WeakPolarHBondContact O-CB 3.43Å; Y1167-C1170 PolarHBondContact O-N 2.9Å; Y1167-L1171 PolarHBondContact O-N 3.02Å; Y1167-I1176 HydrophobicContact CD1-CG2 3.76Å; Y1167-I1176 HydrophobicContact CG-CG2 4.5Å; Y1167-I1176 WeakPolarHBondContact O-CD1 3.17Å; Y1167-P1177 HydrophobicContact CD1-CG 4.36Å; Y1167-L1180 HydrophobicContact CD1-CD1 3.82Å; Y1167-L1180 HydrophobicContact CD2-CD2 4.37Å; Y1167-L1180 HydrophobicContact CE1-CB 3.91Å; Y1167-L1180 HydrophobicContact CE1-CD1 3.76Å; Y1167-L1180 HydrophobicContact CE1-CD2 4.14Å; Y1167-L1180 HydrophobicContact CE1-CG 4.14Å; Y1167-L1180 HydrophobicContact CE2-CD2 3.82Å; Y1167-L1180 HydrophobicContact CG-CD1 4.31Å |
| 1168 | A | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1164 L1165 C1170 L1171 W1197 V1219 R1221 L1239 T1242 | I1164-A1168 WeakPolarHBondContact O-CB 3.37Å; I1164-A1168 PolarHBondContact O-N 2.96Å; L1165-A1168 WeakPolarHBondContact O-CB 3.41Å; L1165-A1168 PolarHBondContact O-N 2.9Å; A1168-C1170 PolarHBondContact O-N 3.1Å; A1168-L1171 PolarHBondContact O-N 3.38Å; A1168-L1171 VanDerWaalsContact O-N 3.13Å; A1168-W1197 HydrophobicContact CB-CZ2 3.61Å; A1168-V1219 HydrophobicContact CB-CB 4.41Å; A1168-V1219 HydrophobicContact CB-CG1 3.64Å; A1168-V1219 HydrophobicContact CB-CG2 3.81Å; A1168-R1221 PolarHBondContact O-NH1 3.47Å; A1168-L1239 HydrophobicContact CB-CD1 3.82Å; A1168-T1242 HydrophobicContact CB-CG2 4.22Å |
| 1169 | G | 93.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 4.4 Ų | 4.4 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -58.5 | -29 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1165 G1166 Y1167 N1220 R1221 L1222 | L1165-G1169 PolarHBondContact O-N 3.21Å; L1165-G1169 VanDerWaalsContact O-N 3.11Å; G1166-G1169 PolarHBondContact O-N 3.46Å; Y1167-G1169 PolarHBondContact O-N 2.96Å; G1169-N1220 WeakPolarHBondContact CA-O 3.47Å; G1169-R1221 PolarHBondContact O-NH1 2.92Å; G1169-L1222 WeakPolarHBondContact O-CB 3.45Å; G1169-L1222 PolarHBondContact O-N 2.95Å |
| 1170 | C | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.3 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 114.5 | P1098 Y1167 A1168 R1172 P1177 L1180 G1183 Y1188 Y1223 | P1098-C1170 WeakPolarHBondContact CG-SG 3.4Å; Y1167-C1170 WeakPolarHBondContact O-CA 3.33Å; Y1167-C1170 WeakPolarHBondContact O-CB 3.43Å; Y1167-C1170 PolarHBondContact O-N 2.9Å; A1168-C1170 PolarHBondContact O-N 3.1Å; C1170-R1172 PolarHBondContact O-N 3.2Å; C1170-R1172 VanDerWaalsContact O-N 3.17Å; C1170-P1177 HydrophobicContact CB-CG 4.01Å; C1170-L1180 HydrophobicContact CB-CD1 4.41Å; C1170-G1183 VanDerWaalsContact SG-CA 3.51Å; C1170-Y1188 PolarHBondContact O-OH 3.31Å; C1170-Y1223 HydrophobicContact CB-CE2 4.41Å |
| 1171 | L | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.019 | C | C | . | . | trans | -56.7 | 126.4 | 178 | -175.3 | 90.1 | 0 | 0 | 0 | 110.5 | Y1167 A1168 L1175 I1176 R1221 T1242 E1245 A1246 | Y1167-L1171 PolarHBondContact O-N 3.02Å; A1168-L1171 PolarHBondContact O-N 3.38Å; A1168-L1171 VanDerWaalsContact O-N 3.13Å; L1171-L1175 WeakPolarHBondContact CA-O 3.25Å; L1171-L1175 WeakPolarHBondContact CD1-O 3.27Å; L1171-I1176 HydrophobicContact CB-CD1 4.22Å; L1171-I1176 HydrophobicContact CD1-CD1 3.84Å; L1171-I1176 HydrophobicContact CD1-CG1 4.13Å; L1171-R1221 VanDerWaalsContact O-CZ 3.26Å; L1171-R1221 PolarHBondContact O-NH1 3.2Å; L1171-R1221 PolarHBondContact O-NH2 3.22Å; L1171-T1242 HydrophobicContact CB-CG2 3.86Å; L1171-T1242 HydrophobicContact CD2-CG2 3.69Å; L1171-T1242 WeakPolarHBondContact CD2-O 3.36Å; L1171-T1242 HydrophobicContact CG-CG2 4.31Å; L1171-E1245 HydrophobicContact CD2-CB 3.97Å; L1171-E1245 HydrophobicContact CD2-CG 3.97Å; L1171-A1246 HydrophobicContact CD1-CB 3.86Å; L1171-A1246 HydrophobicContact CD2-CB 4.24Å | ||
| 1172 | R | 93 | Very high | 94.3 | Very high | 6 Ų | 6 | 5.8 Ų | 5.8 | 2% | 0.023 | 3% | 0.029 | C | C | . | . | B | Isolated β-bridge | trans | -151.6 | 146.3 | 178.9 | 154.6 | 173.7 | -79.5 | -171.2 | -11.4 | 109.5 | C1170 G1174 L1175 Y1188 Y1223 D1225 D1226 A1228 | C1170-R1172 PolarHBondContact O-N 3.2Å; C1170-R1172 VanDerWaalsContact O-N 3.17Å; R1172-G1174 PolarHBondContact O-N 3.18Å; R1172-G1174 VanDerWaalsContact O-N 3.07Å; R1172-L1175 PolarHBondContact N-O 2.82Å; R1172-L1175 WeakPolarHBondContact O-CA 3.44Å; R1172-L1175 PolarHBondContact O-N 3.46Å; R1172-L1175 VanDerWaalsContact O-O 3.09Å; R1172-Y1188 HydrophobicContact CB-CE1 3.8Å; R1172-Y1188 HydrophobicContact CB-CE2 4.35Å; R1172-Y1188 HydrophobicContact CG-CE1 4.34Å; R1172-Y1188 HydrophobicContact CG-CE2 4.26Å; R1172-Y1223 HydrophobicContact CB-CD2 3.8Å; R1172-Y1223 HydrophobicContact CB-CE2 4.07Å; R1172-Y1223 HydrophobicContact CB-CG 4.48Å; R1172-D1225 PolarHBondContact NH2-O 3.45Å; R1172-D1226 VanDerWaalsContact CZ-O 3.29Å; R1172-D1226 PolarHBondContact NE-O 3.46Å; R1172-D1226 PolarHBondContact NH2-O 2.86Å; R1172-A1228 PolarHBondContact NH1-O 3.03Å; R1172-A1228 VanDerWaalsContact NH1-O 3.17Å; R1172-A1228 PolarHBondContact NH2-O 3.09Å |
| 1173 | H | 94.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 5.8 Ų | 5.8 | 7% | 0.065 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 15.5 | -170.4 | -47.3 | -51.5 | 0 | 0 | 0 | 113.7 | L1175 D1226 I1254 F1256 | H1173-L1175 VanDerWaalsContact C-N 3.28Å; H1173-D1226 WeakPolarHBondContact CA-OD1 3.16Å; H1173-D1226 PolarHBondContact CE1-O 2.93Å; H1173-D1226 IonicContact CG-OD1 2.68Å; H1173-D1226 PolarHBondContact N-OD1 2.97Å; H1173-D1226 WeakPolarHBondContact ND1-CB 3.5Å; H1173-D1226 IonicContact ND1-OD1 3.91Å; H1173-D1226 PolarHBondContact ND1-OD1 2.7Å; H1173-D1226 IonicContact ND1-OD2 3.77Å; H1173-I1254 HydrophobicContact CB-CG2 4.29Å; H1173-I1254 WeakPolarHBondContact O-CD1 3.5Å; H1173-I1254 WeakPolarHBondContact O-CG1 3.39Å; H1173-I1254 WeakPolarHBondContact O-CG2 3.04Å; H1173-F1256 HydrophobicContact CB-CD1 3.86Å; H1173-F1256 HydrophobicContact CB-CE1 3.78Å; H1173-F1256 HydrophobicContact CB-CG 4.4Å; H1173-F1256 HydrophobicContact CB-CZ 4.28Å; H1173-F1256 AromaticContact CD2-CD2 3.58Å; H1173-F1256 AromaticContact CD2-CE1 3.99Å; H1173-F1256 AromaticContact CD2-CE2 3.45Å; H1173-F1256 VanDerWaalsContact CD2-CE2 3.45Å; H1173-F1256 WeakPolarHBondContact CD2-CE2 3.42Å; H1173-F1256 AromaticContact CD2-CG 3.94Å; H1173-F1256 AromaticContact CD2-CZ 3.67Å; H1173-F1256 AromaticContact CG-CD1 3.88Å; H1173-F1256 AromaticContact CG-CE1 4Å; H1173-F1256 AromaticContact CG-CG 3.92Å; H1173-F1256 AromaticContact NE2-CD2 3.71Å; H1173-F1256 AromaticContact NE2-CE2 3.9Å |
| 1174 | G | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1172 H1250 | R1172-G1174 PolarHBondContact O-N 3.18Å; R1172-G1174 VanDerWaalsContact O-N 3.07Å; G1174-H1250 PolarHBondContact O-CE1 2.91Å |
| 1175 | L | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -116.6 | 154 | -177.7 | -60.4 | 176.3 | 0 | 0 | 0 | 111.8 | L1171 R1172 H1173 Y1188 V1194 I1254 F1256 | L1171-L1175 WeakPolarHBondContact CA-O 3.25Å; L1171-L1175 WeakPolarHBondContact CD1-O 3.27Å; R1172-L1175 PolarHBondContact N-O 2.82Å; R1172-L1175 WeakPolarHBondContact O-CA 3.44Å; R1172-L1175 PolarHBondContact O-N 3.46Å; R1172-L1175 VanDerWaalsContact O-O 3.09Å; H1173-L1175 VanDerWaalsContact C-N 3.28Å; L1175-Y1188 HydrophobicContact CB-CD1 4.1Å; L1175-V1194 HydrophobicContact CD2-CG1 4.04Å; L1175-I1254 HydrophobicContact CD2-CD1 4.24Å; L1175-I1254 HydrophobicContact CG-CD1 4.43Å; L1175-F1256 HydrophobicContact CD1-CE1 3.71Å; L1175-F1256 HydrophobicContact CD1-CZ 3.89Å |
| 1176 | I | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -94.1 | 138.4 | 166.7 | -67.5 | -64.9 | 0 | 0 | 0 | 107.7 | F1144 Y1167 L1171 A1193 V1194 W1197 | F1144-I1176 HydrophobicContact CE2-CG2 4.03Å; Y1167-I1176 HydrophobicContact CD1-CG2 3.76Å; Y1167-I1176 HydrophobicContact CG-CG2 4.5Å; Y1167-I1176 WeakPolarHBondContact O-CD1 3.17Å; L1171-I1176 HydrophobicContact CB-CD1 4.22Å; L1171-I1176 HydrophobicContact CD1-CD1 3.84Å; L1171-I1176 HydrophobicContact CD1-CG1 4.13Å; I1176-A1193 HydrophobicContact CB-CB 4.45Å; I1176-A1193 HydrophobicContact CG2-CB 4.24Å; I1176-V1194 HydrophobicContact CB-CB 4.21Å; I1176-V1194 HydrophobicContact CG1-CB 4.15Å; I1176-V1194 HydrophobicContact CG1-CG2 4.12Å; I1176-W1197 HydrophobicContact CD1-CD2 3.99Å; I1176-W1197 HydrophobicContact CD1-CE3 4.23Å; I1176-W1197 HydrophobicContact CD1-CG 4.27Å; I1176-W1197 HydrophobicContact CG1-CB 4.07Å; I1176-W1197 HydrophobicContact CG1-CD2 3.92Å; I1176-W1197 HydrophobicContact CG1-CE3 3.98Å; I1176-W1197 HydrophobicContact CG1-CG 3.98Å | ||
| 1177 | P | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -68.7 | 148.1 | -177.3 | 28.9 | -35.9 | 0 | 0 | 0 | 112.2 | Y1167 C1170 L1180 A1186 R1187 Y1188 | Y1167-P1177 HydrophobicContact CD1-CG 4.36Å; C1170-P1177 HydrophobicContact CB-CG 4.01Å; P1177-L1180 HydrophobicContact CG-CD1 4.1Å; P1177-A1186 HydrophobicContact CB-CB 3.82Å; P1177-A1186 HydrophobicContact CG-CB 4.14Å; P1177-R1187 CarbonylContact C-O 3.58Å; P1177-R1187 VanDerWaalsContact CA-O 3.3Å; P1177-R1187 WeakPolarHBondContact CA-O 3.49Å; P1177-R1187 WeakPolarHBondContact CB-O 3.24Å; P1177-Y1188 HydrophobicContact CB-CD1 4.19Å; P1177-Y1188 HydrophobicContact CB-CE1 3.85Å; P1177-Y1188 HydrophobicContact CB-CE2 4.47Å; P1177-Y1188 HydrophobicContact CG-CE1 4.21Å | ||
| 1178 | N | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -73.5 | -69.1 | 168.3 | -161.9 | 10.8 | 0 | 0 | 0 | 108.8 | W1139 G1140 R1141 L1180 R1187 N1189 C1190 | W1139-N1178 CarbonylContact C-O 3.39Å; W1139-N1178 WeakPolarHBondContact CA-O 3.44Å; W1139-N1178 HydrophobicContact CE3-CB 4.47Å; G1140-N1178 PolarHBondContact N-O 2.72Å; R1141-N1178 PolarHBondContact NH1-ND2 3.27Å; N1178-L1180 PolarHBondContact O-N 3.49Å; N1178-R1187 PolarHBondContact N-O 3.15Å; N1178-N1189 VanDerWaalsContact CB-OD1 3.29Å; N1178-N1189 WeakPolarHBondContact CB-OD1 3.32Å; N1178-C1190 HydrophobicContact CB-CB 3.76Å; N1178-C1190 WeakPolarHBondContact CB-SG 3.45Å |
| 1179 | L | 95.2 | Very high | 93 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -77.4 | 116.9 | 171.5 | -171.8 | 71.4 | 0 | 0 | 0 | 108.4 | L1135 F1136 W1139 A1186 R1187 | L1135-L1179 WeakPolarHBondContact O-CD1 3.37Å; F1136-L1179 HydrophobicContact CD1-CD1 4.23Å; W1139-L1179 HydrophobicContact CD2-CD1 4.2Å; W1139-L1179 HydrophobicContact CE3-CB 4.34Å; W1139-L1179 HydrophobicContact CE3-CD1 4.22Å; W1139-L1179 HydrophobicContact CH2-CD1 3.84Å; W1139-L1179 HydrophobicContact CZ2-CD1 3.78Å; W1139-L1179 HydrophobicContact CZ3-CB 4.09Å; W1139-L1179 HydrophobicContact CZ3-CD1 4.05Å; L1179-A1186 CarbonylContact O-C 3.5Å; L1179-A1186 VanDerWaalsContact O-CA 3.22Å; L1179-A1186 WeakPolarHBondContact O-CA 3.47Å; L1179-R1187 HydrophobicContact CB-CB 4.07Å; L1179-R1187 HydrophobicContact CB-CG 4.33Å; L1179-R1187 HydrophobicContact CD2-CG 4.25Å; L1179-R1187 PolarHBondContact O-N 3.27Å |
| 1180 | L | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -71.9 | -47.4 | -178.3 | -179.2 | 61.9 | 0 | 0 | 0 | 112.1 | L1097 P1098 N1138 Y1167 C1170 P1177 N1178 E1182 G1183 A1186 | L1097-L1180 HydrophobicContact CD2-CD2 3.99Å; P1098-L1180 HydrophobicContact CG-CD1 3.96Å; P1098-L1180 HydrophobicContact CG-CD2 4.41Å; P1098-L1180 HydrophobicContact CG-CG 4.43Å; N1138-L1180 HydrophobicContact CB-CB 3.76Å; N1138-L1180 HydrophobicContact CB-CD2 3.93Å; N1138-L1180 HydrophobicContact CB-CG 4.48Å; N1138-L1180 PolarHBondContact O-N 3.06Å; Y1167-L1180 HydrophobicContact CD1-CD1 3.82Å; Y1167-L1180 HydrophobicContact CD2-CD2 4.37Å; Y1167-L1180 HydrophobicContact CE1-CB 3.91Å; Y1167-L1180 HydrophobicContact CE1-CD1 3.76Å; Y1167-L1180 HydrophobicContact CE1-CD2 4.14Å; Y1167-L1180 HydrophobicContact CE1-CG 4.14Å; Y1167-L1180 HydrophobicContact CE2-CD2 3.82Å; Y1167-L1180 HydrophobicContact CG-CD1 4.31Å; C1170-L1180 HydrophobicContact CB-CD1 4.41Å; P1177-L1180 HydrophobicContact CG-CD1 4.1Å; N1178-L1180 PolarHBondContact O-N 3.49Å; L1180-E1182 VanDerWaalsContact C-N 3.27Å; L1180-E1182 PolarHBondContact O-N 2.88Å; L1180-G1183 WeakPolarHBondContact O-CA 3.48Å; L1180-G1183 PolarHBondContact O-N 3Å; L1180-A1186 WeakPolarHBondContact O-CA 3.21Å; L1180-A1186 WeakPolarHBondContact O-CB 3.31Å | ||
| 1181 | G | 89.2 | Confident | 93 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | 48.7 | 44.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | G1183 T1184 H1185 | G1181-G1183 PolarHBondContact O-N 2.82Å; G1181-T1184 PolarHBondContact O-N 2.88Å; G1181-T1184 PolarHBondContact O-OG1 2.91Å; G1181-H1185 PolarHBondContact O-N 3.39Å |
| 1182 | E | 86.6 | Confident | 93.1 | Very high | 72 Ų | 72 | 18.7 Ų | 18.7 | 34% | 0.336 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | 60.3 | 7.1 | -175.3 | -48.9 | 179.4 | -163.8 | 0 | 0 | 115.2 | P1096 L1180 T1184 Y1231 | P1096-E1182 WeakPolarHBondContact CD-OE1 3.43Å; P1096-E1182 HydrophobicContact CG-CG 3.78Å; L1180-E1182 VanDerWaalsContact C-N 3.27Å; L1180-E1182 PolarHBondContact O-N 2.88Å; E1182-T1184 VanDerWaalsContact C-N 3.28Å; E1182-Y1231 PolarHBondContact O-OH 3.18Å |
| 1183 | G | 87.6 | Confident | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | 83.6 | -6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1170 L1180 G1181 Y1223 | C1170-G1183 VanDerWaalsContact SG-CA 3.51Å; L1180-G1183 WeakPolarHBondContact O-CA 3.48Å; L1180-G1183 PolarHBondContact O-N 3Å; G1181-G1183 PolarHBondContact O-N 2.82Å; G1183-Y1223 PolarHBondContact O-OH 3.34Å |
| 1184 | T | 88.2 | Confident | 93.5 | Very high | 56 Ų | 56 | 17.8 Ų | 17.8 | 34% | 0.344 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -35.1 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | G1181 E1182 A1230 Y1231 | G1181-T1184 PolarHBondContact O-N 2.88Å; G1181-T1184 PolarHBondContact O-OG1 2.91Å; E1182-T1184 VanDerWaalsContact C-N 3.28Å; T1184-A1230 HydrophobicContact CG2-CB 4.13Å; T1184-Y1231 HydrophobicContact CG2-CD2 4.02Å; T1184-Y1231 HydrophobicContact CG2-CE2 3.57Å |
| 1185 | H | 89.6 | Confident | 93.6 | Very high | 119 Ų | 119 | 17.9 Ų | 17.9 | 55% | 0.551 | 9% | 0.09 | S | C | * | . | S | Bend | trans | -110.4 | 26.7 | 177.8 | -58.3 | 81.4 | 0 | 0 | 0 | 111.5 | L1135 G1181 R1187 | L1135-H1185 HydrophobicContact CD2-CB 3.67Å; G1181-H1185 PolarHBondContact O-N 3.39Å; H1185-R1187 PolarHBondContact O-N 2.9Å |
| 1186 | A | 92.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 18 Ų | 18 | 15% | 0.149 | 9% | 0.09 | C | C | . | . | trans | -64.2 | 132.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1177 L1179 L1180 Y1188 | P1177-A1186 HydrophobicContact CB-CB 3.82Å; P1177-A1186 HydrophobicContact CG-CB 4.14Å; L1179-A1186 CarbonylContact O-C 3.5Å; L1179-A1186 VanDerWaalsContact O-CA 3.22Å; L1179-A1186 WeakPolarHBondContact O-CA 3.47Å; L1180-A1186 WeakPolarHBondContact O-CA 3.21Å; L1180-A1186 WeakPolarHBondContact O-CB 3.31Å; A1186-Y1188 HydrophobicContact CB-CE2 3.87Å | ||
| 1187 | R | 93.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 18 Ų | 18 | 15% | 0.151 | 9% | 0.09 | C | C | . | . | trans | -109.3 | 130.4 | 176 | -65.3 | -165.7 | 65.3 | -163.1 | -6.6 | 111.6 | P1177 N1178 L1179 H1185 E1258 I1265 D1266 | P1177-R1187 CarbonylContact C-O 3.58Å; P1177-R1187 VanDerWaalsContact CA-O 3.3Å; P1177-R1187 WeakPolarHBondContact CA-O 3.49Å; P1177-R1187 WeakPolarHBondContact CB-O 3.24Å; N1178-R1187 PolarHBondContact N-O 3.15Å; L1179-R1187 HydrophobicContact CB-CB 4.07Å; L1179-R1187 HydrophobicContact CB-CG 4.33Å; L1179-R1187 HydrophobicContact CD2-CG 4.25Å; L1179-R1187 PolarHBondContact O-N 3.27Å; H1185-R1187 PolarHBondContact O-N 2.9Å; R1187-E1258 IonicContact CZ-OE2 3.07Å; R1187-E1258 IonicContact NE-OE2 3.52Å; R1187-E1258 PolarHBondContact NE-OE2 3.27Å; R1187-E1258 IonicContact NH2-OE1 3.3Å; R1187-E1258 PolarHBondContact NH2-OE1 3.35Å; R1187-E1258 IonicContact NH2-OE2 2.66Å; R1187-E1258 PolarHBondContact NH2-OE2 3.14Å; R1187-I1265 PolarHBondContact NH1-O 3.4Å; R1187-D1266 IonicContact NH1-OD2 2.73Å; R1187-D1266 IonicContact NH2-OD2 2.7Å | ||
| 1188 | Y | 94.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 18 Ų | 18 | 5% | 0.051 | 9% | 0.091 | C | C | . | . | trans | -106.7 | 46 | -178.7 | -58.1 | -93.1 | 0 | 0 | 0 | 110.7 | C1170 R1172 L1175 P1177 A1186 Y1223 | C1170-Y1188 PolarHBondContact O-OH 3.31Å; R1172-Y1188 HydrophobicContact CB-CE1 3.8Å; R1172-Y1188 HydrophobicContact CB-CE2 4.35Å; R1172-Y1188 HydrophobicContact CG-CE1 4.34Å; R1172-Y1188 HydrophobicContact CG-CE2 4.26Å; L1175-Y1188 HydrophobicContact CB-CD1 4.1Å; P1177-Y1188 HydrophobicContact CB-CD1 4.19Å; P1177-Y1188 HydrophobicContact CB-CE1 3.85Å; P1177-Y1188 HydrophobicContact CB-CE2 4.47Å; P1177-Y1188 HydrophobicContact CG-CE1 4.21Å; A1186-Y1188 HydrophobicContact CB-CE2 3.87Å; Y1188-Y1223 WeakPolarHBondContact OH-CE2 3.31Å; Y1188-Y1223 PolarHBondContact OH-OH 3.37Å | ||
| 1189 | N | 91.5 | Very high | 94 | Very high | 25 Ų | 25 | 18 Ų | 18 | 13% | 0.134 | 9% | 0.091 | C | C | . | . | trans | -90.2 | -2.6 | -178.9 | 68.7 | -27.1 | 0 | 0 | 0 | 113.4 | N1178 E1258 | N1178-N1189 VanDerWaalsContact CB-OD1 3.29Å; N1178-N1189 WeakPolarHBondContact CB-OD1 3.32Å; N1189-E1258 VanDerWaalsContact CB-OE1 3.22Å; N1189-E1258 WeakPolarHBondContact CB-OE1 3.32Å | ||
| 1190 | C | 93.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | trans | -109.6 | 149.8 | 177.7 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | N1178 D1192 A1193 G1296 | N1178-C1190 HydrophobicContact CB-CB 3.76Å; N1178-C1190 WeakPolarHBondContact CB-SG 3.45Å; C1190-D1192 WeakPolarHBondContact CB-OD1 3.39Å; C1190-A1193 WeakPolarHBondContact SG-CB 3.3Å; C1190-G1296 WeakPolarHBondContact CA-O 3.49Å | ||
| 1191 | R | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -106.7 | -8.6 | 173.3 | 66.4 | -176.2 | -177.8 | 88.8 | -1.9 | 113.2 | W1195 V1278 G1289 G1296 R1318 L1325 | R1191-W1195 VanDerWaalsContact O-CD1 3.23Å; R1191-V1278 HydrophobicContact CB-CG2 3.87Å; R1191-G1289 PolarHBondContact NE-O 3.05Å; R1191-G1296 WeakPolarHBondContact CG-O 3.48Å; R1191-G1296 PolarHBondContact N-O 2.76Å; R1191-R1318 PolarHBondContact NH2-O 2.74Å; R1191-L1325 HydrophobicContact CG-CD1 4.08Å |
| 1192 | D | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -96.6 | -33.4 | -172.9 | 55.9 | -7.9 | 0 | 0 | 0 | 114.4 | R1141 C1190 V1194 W1195 W1196 T1297 W1298 L1325 | R1141-D1192 IonicContact CZ-OD1 3.53Å; R1141-D1192 IonicContact CZ-OD2 3.52Å; R1141-D1192 VanDerWaalsContact NE-CG 3.32Å; R1141-D1192 IonicContact NE-OD1 2.67Å; R1141-D1192 PolarHBondContact NE-OD1 3.01Å; R1141-D1192 IonicContact NE-OD2 3.45Å; R1141-D1192 PolarHBondContact NE-OD2 3.01Å; R1141-D1192 IonicContact NH2-OD1 3.53Å; R1141-D1192 PolarHBondContact NH2-OD1 3.25Å; R1141-D1192 IonicContact NH2-OD2 2.75Å; R1141-D1192 PolarHBondContact NH2-OD2 3.35Å; C1190-D1192 WeakPolarHBondContact CB-OD1 3.39Å; D1192-V1194 PolarHBondContact O-N 3.22Å; D1192-V1194 VanDerWaalsContact O-N 3.13Å; D1192-W1195 PolarHBondContact O-N 2.99Å; D1192-W1196 VanDerWaalsContact O-CD1 3.27Å; D1192-W1196 PolarHBondContact O-N 3.49Å; D1192-W1196 VanDerWaalsContact O-N 3.13Å; D1192-T1297 VanDerWaalsContact OD2-C 3.27Å; D1192-T1297 WeakPolarHBondContact OD2-CA 3.4Å; D1192-W1298 PolarHBondContact OD2-N 2.71Å; D1192-L1325 HydrophobicContact CB-CD1 4.02Å; D1192-L1325 HydrophobicContact CB-CD2 3.66Å; D1192-L1325 HydrophobicContact CB-CG 4.41Å |
| 1193 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.6 | -35.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1176 C1190 W1195 W1196 W1197 | I1176-A1193 HydrophobicContact CB-CB 4.45Å; I1176-A1193 HydrophobicContact CG2-CB 4.24Å; C1190-A1193 WeakPolarHBondContact SG-CB 3.3Å; A1193-W1195 PolarHBondContact O-N 3.29Å; A1193-W1196 PolarHBondContact O-N 3.27Å; A1193-W1197 WeakPolarHBondContact O-CB 3.38Å; A1193-W1197 PolarHBondContact O-N 3.06Å |
| 1194 | V | 98 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64 | -39 | 176.6 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | L1175 I1176 D1192 W1197 L1198 A1246 | L1175-V1194 HydrophobicContact CD2-CG1 4.04Å; I1176-V1194 HydrophobicContact CB-CB 4.21Å; I1176-V1194 HydrophobicContact CG1-CB 4.15Å; I1176-V1194 HydrophobicContact CG1-CG2 4.12Å; D1192-V1194 PolarHBondContact O-N 3.22Å; D1192-V1194 VanDerWaalsContact O-N 3.13Å; V1194-W1197 PolarHBondContact O-N 3.47Å; V1194-L1198 HydrophobicContact CG2-CD1 4.42Å; V1194-L1198 VanDerWaalsContact O-CG 3.27Å; V1194-L1198 WeakPolarHBondContact O-CG 3.4Å; V1194-L1198 PolarHBondContact O-N 3.28Å; V1194-A1246 HydrophobicContact CG2-CB 4.08Å |
| 1195 | W | 98.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.8 | -41 | 179.4 | -66.3 | 105.4 | 0 | 0 | 0 | 111 | R1191 D1192 A1193 W1197 L1198 L1199 L1247 H1250 V1287 L1325 I1328 | R1191-W1195 VanDerWaalsContact O-CD1 3.23Å; D1192-W1195 PolarHBondContact O-N 2.99Å; A1193-W1195 PolarHBondContact O-N 3.29Å; W1195-W1197 VanDerWaalsContact C-N 3.34Å; W1195-W1197 PolarHBondContact O-N 2.97Å; W1195-L1198 HydrophobicContact CE3-CD1 3.97Å; W1195-L1198 HydrophobicContact CZ3-CD1 4.1Å; W1195-L1198 PolarHBondContact O-N 3.14Å; W1195-L1199 WeakPolarHBondContact O-CB 3.38Å; W1195-L1199 PolarHBondContact O-N 2.93Å; W1195-L1247 HydrophobicContact CH2-CD2 4.01Å; W1195-L1247 HydrophobicContact CZ3-CD2 3.97Å; W1195-H1250 HydrophobicContact CZ2-CB 4.46Å; W1195-H1250 AromaticContact CZ2-CD2 3.62Å; W1195-H1250 AromaticContact NE1-CD2 4Å; W1195-H1250 AromaticContact NE1-NE2 3.69Å; W1195-V1287 HydrophobicContact CH2-CG1 3.63Å; W1195-V1287 HydrophobicContact CZ2-CB 4.09Å; W1195-V1287 HydrophobicContact CZ2-CG1 3.35Å; W1195-L1325 HydrophobicContact CB-CD2 4.28Å; W1195-I1328 HydrophobicContact CB-CB 4.34Å; W1195-I1328 HydrophobicContact CB-CG2 3.74Å; W1195-I1328 WeakPolarHBondContact O-CG2 3.49Å |
| 1196 | W | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 172.3 | -69.9 | 114.6 | 0 | 0 | 0 | 112.5 | F1144 I1145 D1192 A1193 L1199 C1200 I1328 I1424 L1428 W1494 Y1498 | F1144-W1196 HydrophobicContact CB-CB 3.58Å; I1145-W1196 HydrophobicContact CD1-CD2 4.36Å; I1145-W1196 HydrophobicContact CD1-CZ2 4.07Å; I1145-W1196 HydrophobicContact CG1-CD2 3.57Å; I1145-W1196 HydrophobicContact CG1-CE3 3.91Å; I1145-W1196 HydrophobicContact CG1-CG 3.97Å; I1145-W1196 HydrophobicContact CG1-CH2 4.19Å; I1145-W1196 HydrophobicContact CG1-CZ2 3.88Å; I1145-W1196 HydrophobicContact CG1-CZ3 4.22Å; D1192-W1196 VanDerWaalsContact O-CD1 3.27Å; D1192-W1196 PolarHBondContact O-N 3.49Å; D1192-W1196 VanDerWaalsContact O-N 3.13Å; A1193-W1196 PolarHBondContact O-N 3.27Å; W1196-L1199 HydrophobicContact CE3-CD2 3.75Å; W1196-L1199 HydrophobicContact CZ3-CD2 3.72Å; W1196-L1199 PolarHBondContact O-N 3.01Å; W1196-C1200 PolarHBondContact O-N 3.16Å; W1196-C1200 PolarHBondContact O-SG 2.82Å; W1196-I1328 HydrophobicContact CD2-CD1 3.82Å; W1196-I1328 HydrophobicContact CE3-CD1 4.01Å; W1196-I1328 HydrophobicContact CH2-CD1 3.91Å; W1196-I1328 HydrophobicContact CZ2-CD1 3.7Å; W1196-I1328 HydrophobicContact CZ3-CD1 4.04Å; W1196-I1424 HydrophobicContact CH2-CG2 3.61Å; W1196-I1424 HydrophobicContact CZ2-CG2 4.18Å; W1196-L1428 HydrophobicContact CH2-CD1 4.46Å; W1196-L1428 HydrophobicContact CZ3-CD1 4.31Å; W1196-W1494 HydrophobicContact CH2-CZ3 4.4Å; W1196-W1494 HydrophobicContact CZ2-CH2 4.31Å; W1196-W1494 HydrophobicContact CZ2-CZ3 4.39Å; W1196-Y1498 HydrophobicContact CH2-CE1 4.39Å; W1196-Y1498 HydrophobicContact CH2-CE2 4.39Å; W1196-Y1498 AromaticContact CH2-CZ 3.94Å; W1196-Y1498 AromaticContact CZ3-CZ 3.98Å; W1196-Y1498 WeakPolarHBondContact CZ3-OH 3.19Å |
| 1197 | W | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 174.3 | 172.4 | 75.3 | 0 | 0 | 0 | 111.9 | F1144 I1164 A1168 I1176 A1193 V1194 W1195 L1199 C1200 I1201 L1239 T1242 V1243 | F1144-W1197 HydrophobicContact CD1-CB 4.37Å; F1144-W1197 HydrophobicContact CD2-CB 3.71Å; F1144-W1197 HydrophobicContact CD2-CG 4.48Å; F1144-W1197 HydrophobicContact CE1-CB 4.49Å; F1144-W1197 AromaticContact CE1-CD1 3.63Å; F1144-W1197 HydrophobicContact CE1-CG 4.46Å; F1144-W1197 HydrophobicContact CE2-CB 3.87Å; F1144-W1197 AromaticContact CE2-CD1 3.8Å; F1144-W1197 HydrophobicContact CE2-CG 4.19Å; F1144-W1197 HydrophobicContact CG-CB 4.04Å; F1144-W1197 HydrophobicContact CZ-CB 4.29Å; F1144-W1197 AromaticContact CZ-CD1 3.41Å; F1144-W1197 VanDerWaalsContact CZ-CD1 3.41Å; F1144-W1197 HydrophobicContact CZ-CG 4.21Å; I1164-W1197 PolarHBondContact O-NE1 3.25Å; I1164-W1197 VanDerWaalsContact O-NE1 3.08Å; A1168-W1197 HydrophobicContact CB-CZ2 3.61Å; I1176-W1197 HydrophobicContact CD1-CD2 3.99Å; I1176-W1197 HydrophobicContact CD1-CE3 4.23Å; I1176-W1197 HydrophobicContact CD1-CG 4.27Å; I1176-W1197 HydrophobicContact CG1-CB 4.07Å; I1176-W1197 HydrophobicContact CG1-CD2 3.92Å; I1176-W1197 HydrophobicContact CG1-CE3 3.98Å; I1176-W1197 HydrophobicContact CG1-CG 3.98Å; A1193-W1197 WeakPolarHBondContact O-CB 3.38Å; A1193-W1197 PolarHBondContact O-N 3.06Å; V1194-W1197 PolarHBondContact O-N 3.47Å; W1195-W1197 VanDerWaalsContact C-N 3.34Å; W1195-W1197 PolarHBondContact O-N 2.97Å; W1197-L1199 VanDerWaalsContact C-N 3.3Å; W1197-L1199 PolarHBondContact O-N 3.34Å; W1197-C1200 WeakPolarHBondContact O-CB 3.43Å; W1197-C1200 PolarHBondContact O-N 3.02Å; W1197-I1201 HydrophobicContact CD2-CD1 3.83Å; W1197-I1201 VanDerWaalsContact CE2-CD1 3.48Å; W1197-I1201 HydrophobicContact CE3-CD1 4.1Å; W1197-I1201 HydrophobicContact CH2-CD1 3.73Å; W1197-I1201 HydrophobicContact CZ2-CD1 3.45Å; W1197-I1201 VanDerWaalsContact CZ2-CD1 3.45Å; W1197-I1201 HydrophobicContact CZ3-CD1 4.05Å; W1197-I1201 WeakPolarHBondContact O-CG1 3.13Å; W1197-I1201 PolarHBondContact O-N 2.84Å; W1197-L1239 HydrophobicContact CH2-CD1 4.11Å; W1197-L1239 HydrophobicContact CZ2-CD1 3.64Å; W1197-T1242 HydrophobicContact CH2-CG2 4.13Å; W1197-V1243 HydrophobicContact CH2-CG2 3.69Å; W1197-V1243 HydrophobicContact CZ3-CG2 4.08Å |
| 1198 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 175.3 | -71.2 | 169.9 | 0 | 0 | 0 | 111.7 | V1194 W1195 C1200 I1201 K1202 V1243 L1247 V1332 | V1194-L1198 HydrophobicContact CG2-CD1 4.42Å; V1194-L1198 VanDerWaalsContact O-CG 3.27Å; V1194-L1198 WeakPolarHBondContact O-CG 3.4Å; V1194-L1198 PolarHBondContact O-N 3.28Å; W1195-L1198 HydrophobicContact CE3-CD1 3.97Å; W1195-L1198 HydrophobicContact CZ3-CD1 4.1Å; W1195-L1198 PolarHBondContact O-N 3.14Å; L1198-C1200 PolarHBondContact O-N 3.38Å; L1198-I1201 PolarHBondContact O-N 3.43Å; L1198-K1202 PolarHBondContact O-N 3.02Å; L1198-V1243 HydrophobicContact CD2-CB 4.31Å; L1198-V1243 HydrophobicContact CD2-CG1 3.69Å; L1198-V1243 HydrophobicContact CD2-CG2 4.16Å; L1198-L1247 HydrophobicContact CD1-CD2 4.13Å; L1198-L1247 HydrophobicContact CD1-CG 4.4Å; L1198-V1332 HydrophobicContact CB-CG1 4.08Å; L1198-V1332 HydrophobicContact CB-CG2 3.73Å; L1198-V1332 HydrophobicContact CD1-CG1 4.28Å |
| 1199 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.7 | -174.5 | 69.6 | 0 | 0 | 0 | 112 | W1195 W1196 W1197 I1201 K1202 Y1203 I1328 A1331 L1428 | W1195-L1199 WeakPolarHBondContact O-CB 3.38Å; W1195-L1199 PolarHBondContact O-N 2.93Å; W1196-L1199 HydrophobicContact CE3-CD2 3.75Å; W1196-L1199 HydrophobicContact CZ3-CD2 3.72Å; W1196-L1199 PolarHBondContact O-N 3.01Å; W1197-L1199 VanDerWaalsContact C-N 3.3Å; W1197-L1199 PolarHBondContact O-N 3.34Å; L1199-I1201 VanDerWaalsContact C-N 3.31Å; L1199-I1201 PolarHBondContact O-N 2.71Å; L1199-K1202 HydrophobicContact CD1-CD 4.29Å; L1199-K1202 WeakPolarHBondContact O-CB 3.48Å; L1199-K1202 PolarHBondContact O-N 3.44Å; L1199-Y1203 HydrophobicContact CD1-CE2 4.01Å; L1199-Y1203 HydrophobicContact CD2-CE2 3.69Å; L1199-Y1203 HydrophobicContact CG-CD2 3.97Å; L1199-Y1203 HydrophobicContact CG-CE2 3.47Å; L1199-Y1203 VanDerWaalsContact CG-CE2 3.47Å; L1199-Y1203 VanDerWaalsContact O-CD2 3.27Å; L1199-Y1203 WeakPolarHBondContact O-CD2 3.16Å; L1199-Y1203 PolarHBondContact O-N 2.99Å; L1199-I1328 HydrophobicContact CB-CG2 4Å; L1199-I1328 HydrophobicContact CD2-CG1 4.38Å; L1199-I1328 HydrophobicContact CD2-CG2 4.47Å; L1199-A1331 HydrophobicContact CD1-CB 4.32Å; L1199-L1428 HydrophobicContact CD1-CD2 4.49Å; L1199-L1428 HydrophobicContact CD2-CD1 3.72Å; L1199-L1428 HydrophobicContact CD2-CD2 3.92Å; L1199-L1428 HydrophobicContact CD2-CG 4.48Å |
| 1200 | C | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -36.4 | 174.1 | -81.5 | 0 | 0 | 0 | 0 | 113 | F1144 L1147 W1196 W1197 L1198 Y1203 Y1204 | F1144-C1200 HydrophobicContact CD1-CB 4Å; F1144-C1200 PolarHBondContact O-SG 3.4Å; L1147-C1200 HydrophobicContact CD2-CB 4.03Å; W1196-C1200 PolarHBondContact O-N 3.16Å; W1196-C1200 PolarHBondContact O-SG 2.82Å; W1197-C1200 WeakPolarHBondContact O-CB 3.43Å; W1197-C1200 PolarHBondContact O-N 3.02Å; L1198-C1200 PolarHBondContact O-N 3.38Å; C1200-Y1203 PolarHBondContact O-N 3.43Å; C1200-Y1204 WeakPolarHBondContact O-CB 3.45Å; C1200-Y1204 PolarHBondContact O-N 2.74Å |
| 1201 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 174 | -63.1 | 166.7 | 0 | 0 | 0 | 110 | I1164 W1197 L1198 L1199 Y1203 Y1204 T1205 I1214 L1215 L1239 V1243 W1335 | I1164-I1201 HydrophobicContact CG2-CD1 4.11Å; I1164-I1201 HydrophobicContact CG2-CG1 3.66Å; W1197-I1201 HydrophobicContact CD2-CD1 3.83Å; W1197-I1201 VanDerWaalsContact CE2-CD1 3.48Å; W1197-I1201 HydrophobicContact CE3-CD1 4.1Å; W1197-I1201 HydrophobicContact CH2-CD1 3.73Å; W1197-I1201 HydrophobicContact CZ2-CD1 3.45Å; W1197-I1201 VanDerWaalsContact CZ2-CD1 3.45Å; W1197-I1201 HydrophobicContact CZ3-CD1 4.05Å; W1197-I1201 WeakPolarHBondContact O-CG1 3.13Å; W1197-I1201 PolarHBondContact O-N 2.84Å; L1198-I1201 PolarHBondContact O-N 3.43Å; L1199-I1201 VanDerWaalsContact C-N 3.31Å; L1199-I1201 PolarHBondContact O-N 2.71Å; I1201-Y1203 VanDerWaalsContact C-N 3.33Å; I1201-Y1203 PolarHBondContact O-N 2.89Å; I1201-Y1204 WeakPolarHBondContact O-CB 3.41Å; I1201-Y1204 PolarHBondContact O-N 2.83Å; I1201-Y1204 VanDerWaalsContact O-N 3.17Å; I1201-T1205 HydrophobicContact CG2-CG2 4.41Å; I1201-T1205 WeakPolarHBondContact O-CG2 3.06Å; I1201-T1205 PolarHBondContact O-N 3.28Å; I1201-I1214 HydrophobicContact CG2-CG2 4.44Å; I1201-L1215 HydrophobicContact CG2-CD2 3.95Å; I1201-L1239 HydrophobicContact CD1-CD1 4.27Å; I1201-L1239 HydrophobicContact CD1-CD2 4.24Å; I1201-L1239 HydrophobicContact CG2-CD2 4.43Å; I1201-V1243 HydrophobicContact CD1-CG2 3.8Å; I1201-W1335 HydrophobicContact CB-CH2 4.16Å; I1201-W1335 HydrophobicContact CG2-CH2 3.53Å; I1201-W1335 HydrophobicContact CG2-CZ2 3.84Å |
| 1202 | K | 97.8 | Very high | 96 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 14% | 0.135 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51 | -54.2 | 172.6 | 170 | -175.3 | -177.8 | -60.9 | 0 | 110.5 | L1198 L1199 Y1204 T1205 E1206 W1335 | L1198-K1202 PolarHBondContact O-N 3.02Å; L1199-K1202 HydrophobicContact CD1-CD 4.29Å; L1199-K1202 WeakPolarHBondContact O-CB 3.48Å; L1199-K1202 PolarHBondContact O-N 3.44Å; K1202-Y1204 VanDerWaalsContact C-N 3.32Å; K1202-Y1204 PolarHBondContact O-N 2.92Å; K1202-T1205 PolarHBondContact O-N 2.71Å; K1202-T1205 VanDerWaalsContact O-N 3.08Å; K1202-T1205 PolarHBondContact O-OG1 3.3Å; K1202-E1206 VanDerWaalsContact CE-OE1 3.25Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.46Å; K1202-E1206 IonicContact NZ-OE1 2.68Å; K1202-E1206 PolarHBondContact NZ-OE1 3.36Å; K1202-E1206 IonicContact NZ-OE2 3.81Å; K1202-E1206 PolarHBondContact NZ-OE2 3.04Å; K1202-E1206 WeakPolarHBondContact O-CG 3.11Å; K1202-E1206 PolarHBondContact O-N 2.99Å; K1202-E1206 VanDerWaalsContact O-N 3.1Å; K1202-W1335 HydrophobicContact CB-CB 4.31Å; K1202-W1335 HydrophobicContact CB-CD2 3.69Å; K1202-W1335 HydrophobicContact CB-CE3 4.02Å; K1202-W1335 HydrophobicContact CB-CG 3.81Å; K1202-W1335 HydrophobicContact CD-CB 3.7Å; K1202-W1335 HydrophobicContact CD-CG 4.08Å; K1202-W1335 HydrophobicContact CG-CB 3.81Å; K1202-W1335 HydrophobicContact CG-CD2 4.07Å; K1202-W1335 HydrophobicContact CG-CG 3.61Å |
| 1203 | Y | 97.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 28 Ų | 28 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 179.4 | -68.1 | -42.8 | 0 | 0 | 0 | 113.4 | R1148 L1199 C1200 I1201 T1205 E1206 M1207 L1428 | R1148-Y1203 HydrophobicContact CB-CD2 4.04Å; R1148-Y1203 HydrophobicContact CB-CE2 4.4Å; R1148-Y1203 VanDerWaalsContact CD-CE2 3.42Å; R1148-Y1203 HydrophobicContact CG-CD2 4.19Å; R1148-Y1203 HydrophobicContact CG-CE2 4.46Å; R1148-Y1203 HydrophobicContact CG-CG 4.45Å; L1199-Y1203 HydrophobicContact CD1-CE2 4.01Å; L1199-Y1203 HydrophobicContact CD2-CE2 3.69Å; L1199-Y1203 HydrophobicContact CG-CD2 3.97Å; L1199-Y1203 HydrophobicContact CG-CE2 3.47Å; L1199-Y1203 VanDerWaalsContact CG-CE2 3.47Å; L1199-Y1203 VanDerWaalsContact O-CD2 3.27Å; L1199-Y1203 WeakPolarHBondContact O-CD2 3.16Å; L1199-Y1203 PolarHBondContact O-N 2.99Å; C1200-Y1203 PolarHBondContact O-N 3.43Å; I1201-Y1203 VanDerWaalsContact C-N 3.33Å; I1201-Y1203 PolarHBondContact O-N 2.89Å; Y1203-T1205 VanDerWaalsContact C-N 3.32Å; Y1203-T1205 PolarHBondContact O-N 2.86Å; Y1203-E1206 PolarHBondContact O-N 3.27Å; Y1203-M1207 WeakPolarHBondContact O-CB 3.49Å; Y1203-M1207 WeakPolarHBondContact O-CG 3Å; Y1203-M1207 PolarHBondContact O-N 3.3Å; Y1203-L1428 WeakPolarHBondContact OH-CD2 3.41Å |
| 1204 | Y | 97.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 174.4 | -168.5 | -77.7 | 0 | 0 | 0 | 111 | L1152 F1157 A1160 R1161 I1164 C1200 I1201 K1202 E1206 V1208 I1214 | L1152-Y1204 HydrophobicContact CD2-CD2 3.83Å; L1152-Y1204 HydrophobicContact CD2-CE2 4.44Å; F1157-Y1204 HydrophobicContact CB-CE2 4.45Å; F1157-Y1204 WeakPolarHBondContact O-CE2 3.35Å; A1160-Y1204 HydrophobicContact CB-CD2 4.28Å; A1160-Y1204 HydrophobicContact CB-CE2 4.28Å; R1161-Y1204 HydrophobicContact CB-CE2 3.84Å; I1164-Y1204 HydrophobicContact CD1-CD2 3.97Å; I1164-Y1204 HydrophobicContact CD1-CG 4.3Å; C1200-Y1204 WeakPolarHBondContact O-CB 3.45Å; C1200-Y1204 PolarHBondContact O-N 2.74Å; I1201-Y1204 WeakPolarHBondContact O-CB 3.41Å; I1201-Y1204 PolarHBondContact O-N 2.83Å; I1201-Y1204 VanDerWaalsContact O-N 3.17Å; K1202-Y1204 VanDerWaalsContact C-N 3.32Å; K1202-Y1204 PolarHBondContact O-N 2.92Å; Y1204-E1206 PolarHBondContact O-N 2.97Å; Y1204-V1208 HydrophobicContact CD1-CB 4.16Å; Y1204-V1208 HydrophobicContact CD1-CG2 3.94Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.89Å; Y1204-V1208 HydrophobicContact CE1-CB 3.91Å; Y1204-V1208 HydrophobicContact CE1-CG1 4.02Å; Y1204-V1208 HydrophobicContact CE1-CG2 3.85Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CG2 3.94Å; Y1204-V1208 VanDerWaalsContact O-CB 3.27Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.49Å; Y1204-V1208 WeakPolarHBondContact O-CG2 3.42Å; Y1204-V1208 PolarHBondContact O-N 3.2Å; Y1204-V1208 VanDerWaalsContact O-N 3.08Å; Y1204-I1214 HydrophobicContact CD1-CB 3.92Å; Y1204-I1214 HydrophobicContact CD1-CD1 3.73Å; Y1204-I1214 HydrophobicContact CD1-CG1 4.39Å; Y1204-I1214 HydrophobicContact CD1-CG2 3.81Å; Y1204-I1214 HydrophobicContact CD2-CD1 4.12Å; Y1204-I1214 HydrophobicContact CE1-CB 3.86Å; Y1204-I1214 HydrophobicContact CE1-CD1 3.85Å; Y1204-I1214 HydrophobicContact CE1-CG1 4.28Å; Y1204-I1214 HydrophobicContact CE1-CG2 4.27Å; Y1204-I1214 HydrophobicContact CE2-CD1 4.22Å; Y1204-I1214 HydrophobicContact CG-CD1 3.89Å |
| 1205 | T | 96.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -25.8 | -179.6 | 64.8 | 0 | 0 | 0 | 0 | 114 | I1201 K1202 Y1203 I1214 L1215 W1335 | I1201-T1205 HydrophobicContact CG2-CG2 4.41Å; I1201-T1205 WeakPolarHBondContact O-CG2 3.06Å; I1201-T1205 PolarHBondContact O-N 3.28Å; K1202-T1205 PolarHBondContact O-N 2.71Å; K1202-T1205 VanDerWaalsContact O-N 3.08Å; K1202-T1205 PolarHBondContact O-OG1 3.3Å; Y1203-T1205 VanDerWaalsContact C-N 3.32Å; Y1203-T1205 PolarHBondContact O-N 2.86Å; T1205-I1214 HydrophobicContact CG2-CG2 4.01Å; T1205-L1215 HydrophobicContact CG2-CD1 4.41Å; T1205-L1215 HydrophobicContact CG2-CG 4.4Å; T1205-W1335 HydrophobicContact CG2-CZ2 3.93Å; T1205-W1335 PolarHBondContact OG1-NE1 2.98Å |
| 1206 | E | 94.3 | Very high | 95.7 | Very high | 109 Ų | 109 | 34.4 Ų | 34.4 | 51% | 0.509 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -89.1 | -39.6 | -179 | -70.4 | 171.9 | 168.7 | 0 | 0 | 112.8 | K1202 Y1203 Y1204 | K1202-E1206 VanDerWaalsContact CE-OE1 3.25Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.46Å; K1202-E1206 IonicContact NZ-OE1 2.68Å; K1202-E1206 PolarHBondContact NZ-OE1 3.36Å; K1202-E1206 IonicContact NZ-OE2 3.81Å; K1202-E1206 PolarHBondContact NZ-OE2 3.04Å; K1202-E1206 WeakPolarHBondContact O-CG 3.11Å; K1202-E1206 PolarHBondContact O-N 2.99Å; K1202-E1206 VanDerWaalsContact O-N 3.1Å; Y1203-E1206 PolarHBondContact O-N 3.27Å; Y1204-E1206 PolarHBondContact O-N 2.97Å |
| 1207 | M | 93.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 35.1 Ų | 35.1 | 21% | 0.207 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -91.4 | -28.5 | -172.4 | -63.5 | 179.3 | 69.7 | 0 | 0 | 113.4 | R1148 L1152 V1153 Y1203 Y1574 | R1148-M1207 HydrophobicContact CG-SD 4.21Å; L1152-M1207 HydrophobicContact CB-CE 3.94Å; L1152-M1207 HydrophobicContact CB-SD 3.84Å; L1152-M1207 HydrophobicContact CD1-SD 4.14Å; V1153-M1207 HydrophobicContact CG2-CE 3.93Å; Y1203-M1207 WeakPolarHBondContact O-CB 3.49Å; Y1203-M1207 WeakPolarHBondContact O-CG 3Å; Y1203-M1207 PolarHBondContact O-N 3.3Å; M1207-Y1574 HydrophobicContact CE-CE1 4.06Å |
| 1208 | V | 92 | Very high | 95.3 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -89.7 | 133.7 | -176.8 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | L1152 F1157 Y1204 D1210 G1211 | L1152-V1208 HydrophobicContact CD2-CG2 4.36Å; F1157-V1208 HydrophobicContact CB-CG1 4.22Å; F1157-V1208 HydrophobicContact CB-CG2 4.11Å; F1157-V1208 HydrophobicContact CD1-CG2 3.56Å; F1157-V1208 HydrophobicContact CD2-CG1 4.05Å; F1157-V1208 HydrophobicContact CD2-CG2 4.36Å; F1157-V1208 HydrophobicContact CE1-CG2 3.97Å; F1157-V1208 HydrophobicContact CG-CG1 4.08Å; F1157-V1208 HydrophobicContact CG-CG2 3.76Å; Y1204-V1208 HydrophobicContact CD1-CB 4.16Å; Y1204-V1208 HydrophobicContact CD1-CG2 3.94Å; Y1204-V1208 HydrophobicContact CD2-CG2 3.89Å; Y1204-V1208 HydrophobicContact CE1-CB 3.91Å; Y1204-V1208 HydrophobicContact CE1-CG1 4.02Å; Y1204-V1208 HydrophobicContact CE1-CG2 3.85Å; Y1204-V1208 HydrophobicContact CE2-CG2 3.8Å; Y1204-V1208 HydrophobicContact CG-CG2 3.94Å; Y1204-V1208 VanDerWaalsContact O-CB 3.27Å; Y1204-V1208 WeakPolarHBondContact O-CB 3.49Å; Y1204-V1208 WeakPolarHBondContact O-CG2 3.42Å; Y1204-V1208 PolarHBondContact O-N 3.2Å; Y1204-V1208 VanDerWaalsContact O-N 3.08Å; V1208-D1210 PolarHBondContact O-N 3.12Å; V1208-G1211 WeakPolarHBondContact O-CA 3.25Å; V1208-G1211 PolarHBondContact O-N 2.84Å |
| 1209 | P | 88.4 | Confident | 95.1 | Very high | 103 Ų | 103 | 36.3 Ų | 36.3 | 67% | 0.669 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 127.1 | 170.5 | -26.3 | 35.2 | 0 | 0 | 0 | 111.2 | G1211 | P1209-G1211 PolarHBondContact O-N 3.24Å; P1209-G1211 VanDerWaalsContact O-N 3.12Å |
| 1210 | D | 90.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 37 Ų | 37 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 28.6 | -171.8 | -61.7 | -48.6 | 0 | 0 | 0 | 114.4 | V1208 H1212 N1213 | V1208-D1210 PolarHBondContact O-N 3.12Å; D1210-H1212 PolarHBondContact O-N 3.04Å; D1210-N1213 WeakPolarHBondContact O-CB 3.46Å; D1210-N1213 PolarHBondContact O-N 3.48Å; D1210-N1213 PolarHBondContact O-ND2 3.21Å |
| 1211 | G | 93 | Very high | 94.5 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -58.5 | -26.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1208 P1209 N1213 I1214 | V1208-G1211 WeakPolarHBondContact O-CA 3.25Å; V1208-G1211 PolarHBondContact O-N 2.84Å; P1209-G1211 PolarHBondContact O-N 3.24Å; P1209-G1211 VanDerWaalsContact O-N 3.12Å; G1211-N1213 PolarHBondContact O-N 2.93Å; G1211-N1213 VanDerWaalsContact O-N 3.09Å; G1211-I1214 WeakPolarHBondContact O-CB 3.33Å; G1211-I1214 WeakPolarHBondContact O-CG2 3.29Å; G1211-I1214 PolarHBondContact O-N 2.87Å; G1211-I1214 VanDerWaalsContact O-N 3.08Å |
| 1212 | H | 94.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -58.5 | -19.3 | 174 | 67.7 | -78.6 | 0 | 0 | 0 | 114 | D1210 I1214 L1215 K1344 | D1210-H1212 PolarHBondContact O-N 3.04Å; H1212-I1214 PolarHBondContact O-N 3.35Å; H1212-L1215 WeakPolarHBondContact O-CB 3.4Å; H1212-L1215 WeakPolarHBondContact O-CG 3.3Å; H1212-L1215 PolarHBondContact O-N 3.4Å; H1212-K1344 HydrophobicContact CB-CD 4.16Å |
| 1213 | N | 94.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -63.1 | -23.6 | 174.3 | -75.8 | -34.8 | 0 | 0 | 0 | 113.3 | D1210 G1211 L1215 K1216 | D1210-N1213 WeakPolarHBondContact O-CB 3.46Å; D1210-N1213 PolarHBondContact O-N 3.48Å; D1210-N1213 PolarHBondContact O-ND2 3.21Å; G1211-N1213 PolarHBondContact O-N 2.93Å; G1211-N1213 VanDerWaalsContact O-N 3.09Å; N1213-L1215 PolarHBondContact O-N 2.92Å; N1213-L1215 VanDerWaalsContact O-N 3.1Å; N1213-K1216 PolarHBondContact O-N 3.19Å |
| 1214 | I | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -55.6 | -30.4 | 175.5 | -161.7 | 177.3 | 0 | 0 | 0 | 112 | R1161 I1164 I1201 Y1204 T1205 G1211 H1212 K1216 D1217 L1239 | R1161-I1214 HydrophobicContact CB-CD1 4.44Å; R1161-I1214 HydrophobicContact CG-CD1 3.9Å; R1161-I1214 HydrophobicContact CG-CG1 4.09Å; I1164-I1214 HydrophobicContact CB-CD1 4.45Å; I1164-I1214 HydrophobicContact CD1-CD1 4.12Å; I1164-I1214 HydrophobicContact CG2-CD1 4.07Å; I1201-I1214 HydrophobicContact CG2-CG2 4.44Å; Y1204-I1214 HydrophobicContact CD1-CB 3.92Å; Y1204-I1214 HydrophobicContact CD1-CD1 3.73Å; Y1204-I1214 HydrophobicContact CD1-CG1 4.39Å; Y1204-I1214 HydrophobicContact CD1-CG2 3.81Å; Y1204-I1214 HydrophobicContact CD2-CD1 4.12Å; Y1204-I1214 HydrophobicContact CE1-CB 3.86Å; Y1204-I1214 HydrophobicContact CE1-CD1 3.85Å; Y1204-I1214 HydrophobicContact CE1-CG1 4.28Å; Y1204-I1214 HydrophobicContact CE1-CG2 4.27Å; Y1204-I1214 HydrophobicContact CE2-CD1 4.22Å; Y1204-I1214 HydrophobicContact CG-CD1 3.89Å; T1205-I1214 HydrophobicContact CG2-CG2 4.01Å; G1211-I1214 WeakPolarHBondContact O-CB 3.33Å; G1211-I1214 WeakPolarHBondContact O-CG2 3.29Å; G1211-I1214 PolarHBondContact O-N 2.87Å; G1211-I1214 VanDerWaalsContact O-N 3.08Å; H1212-I1214 PolarHBondContact O-N 3.35Å; I1214-K1216 PolarHBondContact O-N 3.35Å; I1214-K1216 VanDerWaalsContact O-N 3.14Å; I1214-D1217 WeakPolarHBondContact CA-OD2 3.3Å; I1214-D1217 VanDerWaalsContact O-CB 3.31Å; I1214-D1217 WeakPolarHBondContact O-CB 3.41Å; I1214-D1217 PolarHBondContact O-N 3.08Å; I1214-L1239 HydrophobicContact CD1-CD2 4.26Å; I1214-L1239 HydrophobicContact CG1-CD2 3.85Å; I1214-L1239 HydrophobicContact CG2-CD2 4.27Å; I1214-L1239 WeakPolarHBondContact O-CB 3.48Å; I1214-L1239 WeakPolarHBondContact O-CD2 3.11Å |
| 1215 | L | 97 | Very high | 92.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -64 | -20.1 | 179.8 | -64.1 | 171.8 | 0 | 0 | 0 | 113 | I1201 T1205 H1212 N1213 L1239 H1240 W1335 L1339 Y1345 | I1201-L1215 HydrophobicContact CG2-CD2 3.95Å; T1205-L1215 HydrophobicContact CG2-CD1 4.41Å; T1205-L1215 HydrophobicContact CG2-CG 4.4Å; H1212-L1215 WeakPolarHBondContact O-CB 3.4Å; H1212-L1215 WeakPolarHBondContact O-CG 3.3Å; H1212-L1215 PolarHBondContact O-N 3.4Å; N1213-L1215 PolarHBondContact O-N 2.92Å; N1213-L1215 VanDerWaalsContact O-N 3.1Å; L1215-L1239 PolarHBondContact O-N 3.27Å; L1215-H1240 HydrophobicContact CB-CB 4.3Å; L1215-H1240 VanDerWaalsContact O-CG 3.32Å; L1215-H1240 PolarHBondContact O-N 2.93Å; L1215-H1240 PolarHBondContact O-ND1 2.59Å; L1215-W1335 HydrophobicContact CD1-CZ2 4.49Å; L1215-W1335 HydrophobicContact CD2-CH2 4.13Å; L1215-W1335 HydrophobicContact CD2-CZ2 4.19Å; L1215-L1339 HydrophobicContact CD1-CD1 3.63Å; L1215-Y1345 HydrophobicContact CD1-CD2 4.28Å |
| 1216 | K | 95.8 | Very high | 92.5 | Very high | 134 Ų | 134 | 43 Ų | 43 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -97.9 | -3.3 | 177.4 | -62.1 | 173.8 | -175.8 | 167.6 | 0 | 112.6 | N1213 I1214 | N1213-K1216 PolarHBondContact O-N 3.19Å; I1214-K1216 PolarHBondContact O-N 3.35Å; I1214-K1216 VanDerWaalsContact O-N 3.14Å |
| 1217 | D | 94.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.3 | 144 | -177.6 | -76.2 | -26 | 0 | 0 | 0 | 112.3 | L1104 R1161 L1165 I1214 V1219 P1238 L1239 | L1104-D1217 HydrophobicContact CD1-CB 4.24Å; R1161-D1217 IonicContact CZ-OD1 3.97Å; R1161-D1217 IonicContact CZ-OD2 2.69Å; R1161-D1217 IonicContact NE-OD2 2.72Å; R1161-D1217 PolarHBondContact NE-OD2 3.24Å; R1161-D1217 IonicContact NH2-OD1 3.43Å; R1161-D1217 PolarHBondContact NH2-OD1 3.18Å; R1161-D1217 IonicContact NH2-OD2 3.79Å; R1161-D1217 PolarHBondContact NH2-OD2 2.96Å; L1165-D1217 HydrophobicContact CD1-CB 3.98Å; L1165-D1217 HydrophobicContact CD2-CB 3.92Å; I1214-D1217 WeakPolarHBondContact CA-OD2 3.3Å; I1214-D1217 VanDerWaalsContact O-CB 3.31Å; I1214-D1217 WeakPolarHBondContact O-CB 3.41Å; I1214-D1217 PolarHBondContact O-N 3.08Å; D1217-V1219 PolarHBondContact O-N 3.4Å; D1217-P1238 CarbonylContact O-C 3.54Å; D1217-P1238 WeakPolarHBondContact O-CA 3.32Å; D1217-L1239 PolarHBondContact O-N 3.12Å |
| 1218 | P | 94.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 117.5 | 178.9 | 28.7 | -33.6 | 0 | 0 | 0 | 110.9 | S1101 N1103 E1236 | S1101-P1218 WeakPolarHBondContact CB-O 3.45Å; S1101-P1218 WeakPolarHBondContact OG-CB 3.46Å; S1101-P1218 WeakPolarHBondContact OG-CG 3.42Å; N1103-P1218 HydrophobicContact CB-CG 4.06Å; P1218-E1236 HydrophobicContact CB-CB 4.45Å |
| 1219 | V | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | L1165 A1168 D1217 R1221 E1236 Q1237 L1239 | L1165-V1219 HydrophobicContact CD2-CG2 3.79Å; A1168-V1219 HydrophobicContact CB-CB 4.41Å; A1168-V1219 HydrophobicContact CB-CG1 3.64Å; A1168-V1219 HydrophobicContact CB-CG2 3.81Å; D1217-V1219 PolarHBondContact O-N 3.4Å; V1219-R1221 PolarHBondContact O-N 2.85Å; V1219-E1236 VanDerWaalsContact O-CA 3.3Å; V1219-E1236 WeakPolarHBondContact O-CA 3.43Å; V1219-Q1237 WeakPolarHBondContact CB-O 3.2Å; V1219-Q1237 PolarHBondContact N-O 2.87Å; V1219-Q1237 PolarHBondContact O-N 2.82Å; V1219-Q1237 VanDerWaalsContact O-N 3.09Å; V1219-L1239 HydrophobicContact CG2-CB 3.89Å; V1219-L1239 HydrophobicContact CG2-CD1 3.8Å; V1219-L1239 HydrophobicContact CG2-CG 4.46Å |
| 1220 | N | 91.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 105 | 172.9 | -177.3 | 28.7 | 0 | 0 | 0 | 109.5 | F1099 G1169 L1222 | F1099-N1220 PolarHBondContact O-ND2 2.87Å; G1169-N1220 WeakPolarHBondContact CA-O 3.47Å; N1220-L1222 WeakPolarHBondContact O-CD1 3.36Å |
| 1221 | R | 92.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 127.1 | -176.4 | -61.3 | -68.8 | -79.6 | 126.5 | -0.6 | 110.5 | A1168 G1169 L1171 V1219 W1235 Q1237 E1245 | A1168-R1221 PolarHBondContact O-NH1 3.47Å; G1169-R1221 PolarHBondContact O-NH1 2.92Å; L1171-R1221 VanDerWaalsContact O-CZ 3.26Å; L1171-R1221 PolarHBondContact O-NH1 3.2Å; L1171-R1221 PolarHBondContact O-NH2 3.22Å; V1219-R1221 PolarHBondContact O-N 2.85Å; R1221-W1235 HydrophobicContact CB-CD2 4.44Å; R1221-W1235 HydrophobicContact CB-CG 4.48Å; R1221-W1235 HydrophobicContact CB-CZ2 4.48Å; R1221-W1235 HydrophobicContact CG-CD2 4.39Å; R1221-W1235 HydrophobicContact CG-CZ2 4.05Å; R1221-W1235 PolarHBondContact N-O 3.42Å; R1221-Q1237 HydrophobicContact CG-CG 3.94Å; R1221-E1245 IonicContact CZ-OE2 2.87Å; R1221-E1245 IonicContact NE-OE2 3.45Å; R1221-E1245 IonicContact NH2-OE1 3.61Å; R1221-E1245 PolarHBondContact NH2-OE1 3.25Å; R1221-E1245 VanDerWaalsContact NH2-OE1 3.17Å; R1221-E1245 IonicContact NH2-OE2 2.77Å; R1221-E1245 PolarHBondContact NH2-OE2 3.29Å |
| 1222 | L | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -82.9 | -26 | -179.8 | -87.3 | 73.5 | 0 | 0 | 0 | 113.1 | P1098 G1169 N1220 Y1231 | P1098-L1222 HydrophobicContact CB-CD1 4.01Å; P1098-L1222 HydrophobicContact CB-CD2 4.16Å; G1169-L1222 WeakPolarHBondContact O-CB 3.45Å; G1169-L1222 PolarHBondContact O-N 2.95Å; N1220-L1222 WeakPolarHBondContact O-CD1 3.36Å; L1222-Y1231 HydrophobicContact CD1-CE1 4.19Å; L1222-Y1231 HydrophobicContact CD2-CE1 3.8Å; L1222-Y1231 HydrophobicContact CD2-CE2 4.23Å; L1222-Y1231 HydrophobicContact CG-CD1 4.06Å; L1222-Y1231 HydrophobicContact CG-CE1 3.58Å; L1222-Y1231 PolarHBondContact O-N 2.85Å |
| 1223 | Y | 90.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | trans | -121.6 | 131.2 | -176.7 | -47.1 | -71.4 | 0 | 0 | 0 | 109.8 | C1170 R1172 G1183 Y1188 A1230 | C1170-Y1223 HydrophobicContact CB-CE2 4.41Å; R1172-Y1223 HydrophobicContact CB-CD2 3.8Å; R1172-Y1223 HydrophobicContact CB-CE2 4.07Å; R1172-Y1223 HydrophobicContact CB-CG 4.48Å; G1183-Y1223 PolarHBondContact O-OH 3.34Å; Y1188-Y1223 WeakPolarHBondContact OH-CE2 3.31Å; Y1188-Y1223 PolarHBondContact OH-OH 3.37Å; Y1223-A1230 HydrophobicContact CD1-CB 4.4Å; Y1223-A1230 HydrophobicContact CE1-CB 3.73Å | ||
| 1224 | V | 86.7 | Confident | 89.3 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.3 | -40.4 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | A1228 K1233 | V1224-A1228 HydrophobicContact CB-CB 4.49Å; V1224-K1233 HydrophobicContact CG2-CB 3.59Å; V1224-K1233 HydrophobicContact CG2-CD 4.29Å; V1224-K1233 HydrophobicContact CG2-CG 4.31Å |
| 1225 | D | 88 | Confident | 89.1 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -147.6 | 178.7 | 178.6 | 62.4 | 54 | 0 | 0 | 0 | 109.8 | R1172 N1227 A1228 | R1172-D1225 PolarHBondContact NH2-O 3.45Å; D1225-N1227 PolarHBondContact O-N 3.46Å; D1225-N1227 WeakPolarHBondContact OD1-CA 3.41Å; D1225-N1227 PolarHBondContact OD1-N 3.28Å; D1225-A1228 PolarHBondContact O-N 2.91Å; D1225-A1228 PolarHBondContact OD1-N 3.01Å |
| 1226 | D | 89.4 | Confident | 88.8 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.8 | -177 | -74.8 | -20 | 0 | 0 | 0 | 114.4 | R1172 H1173 R1249 | R1172-D1226 VanDerWaalsContact CZ-O 3.29Å; R1172-D1226 PolarHBondContact NE-O 3.46Å; R1172-D1226 PolarHBondContact NH2-O 2.86Å; H1173-D1226 WeakPolarHBondContact CA-OD1 3.16Å; H1173-D1226 PolarHBondContact CE1-O 2.93Å; H1173-D1226 IonicContact CG-OD1 2.68Å; H1173-D1226 PolarHBondContact N-OD1 2.97Å; H1173-D1226 WeakPolarHBondContact ND1-CB 3.5Å; H1173-D1226 IonicContact ND1-OD1 3.91Å; H1173-D1226 PolarHBondContact ND1-OD1 2.7Å; H1173-D1226 IonicContact ND1-OD2 3.77Å; D1226-R1249 IonicContact OD1-NH1 3.98Å; D1226-R1249 IonicContact OD2-CZ 2.58Å; D1226-R1249 IonicContact OD2-NH1 2.75Å; D1226-R1249 PolarHBondContact OD2-NH1 3.26Å |
| 1227 | N | 86.9 | Confident | 88.8 | Confident | 140 Ų | 140 | 53.7 Ų | 53.7 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -15.1 | -175.9 | -64.2 | -50.8 | 0 | 0 | 0 | 113.6 | D1225 | D1225-N1227 PolarHBondContact O-N 3.46Å; D1225-N1227 WeakPolarHBondContact OD1-CA 3.41Å; D1225-N1227 PolarHBondContact OD1-N 3.28Å |
| 1228 | A | 87.4 | Confident | 88.9 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -59.3 | 153.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | R1172 V1224 D1225 | R1172-A1228 PolarHBondContact NH1-O 3.03Å; R1172-A1228 VanDerWaalsContact NH1-O 3.17Å; R1172-A1228 PolarHBondContact NH2-O 3.09Å; V1224-A1228 HydrophobicContact CB-CB 4.49Å; D1225-A1228 PolarHBondContact O-N 2.91Å; D1225-A1228 PolarHBondContact OD1-N 3.01Å |
| 1229 | E | 87.4 | Confident | 89 | Confident | 113 Ų | 113 | 53.5 Ų | 53.5 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 153.7 | 161.3 | -69.3 | -66.3 | 171.6 | 0 | 0 | 110.6 | Y1231 S1232 R1259 | E1229-Y1231 PolarHBondContact O-N 3.46Å; E1229-S1232 WeakPolarHBondContact O-CB 3.28Å; E1229-S1232 PolarHBondContact O-N 3.23Å; E1229-S1232 PolarHBondContact O-OG 2.57Å; E1229-R1259 IonicContact OE1-CZ 3.39Å; E1229-R1259 IonicContact OE1-NH1 2.72Å; E1229-R1259 IonicContact OE1-NH2 3.78Å; E1229-R1259 PolarHBondContact OE1-NH2 2.92Å; E1229-R1259 IonicContact OE2-CZ 3.52Å; E1229-R1259 IonicContact OE2-NH1 3.84Å; E1229-R1259 PolarHBondContact OE2-NH1 2.9Å; E1229-R1259 IonicContact OE2-NH2 3.9Å; E1229-R1259 PolarHBondContact OE2-NH2 3.43Å |
| 1230 | A | 85.1 | Confident | 89.2 | Confident | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 138.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T1184 Y1223 S1232 | T1184-A1230 HydrophobicContact CG2-CB 4.13Å; Y1223-A1230 HydrophobicContact CD1-CB 4.4Å; Y1223-A1230 HydrophobicContact CE1-CB 3.73Å; A1230-S1232 PolarHBondContact O-N 2.8Å |
| 1231 | Y | 83.7 | Confident | 89.5 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 26% | 0.263 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 12.5 | 179.1 | -52.6 | -65.5 | 0 | 0 | 0 | 115.8 | F1099 E1182 T1184 L1222 E1229 K1233 Q1234 | F1099-Y1231 AromaticContact CD2-CE1 3.85Å; F1099-Y1231 HydrophobicContact CD2-CE1 3.85Å; F1099-Y1231 AromaticContact CD2-CZ 3.91Å; E1182-Y1231 PolarHBondContact O-OH 3.18Å; T1184-Y1231 HydrophobicContact CG2-CD2 4.02Å; T1184-Y1231 HydrophobicContact CG2-CE2 3.57Å; L1222-Y1231 HydrophobicContact CD1-CE1 4.19Å; L1222-Y1231 HydrophobicContact CD2-CE1 3.8Å; L1222-Y1231 HydrophobicContact CD2-CE2 4.23Å; L1222-Y1231 HydrophobicContact CG-CD1 4.06Å; L1222-Y1231 HydrophobicContact CG-CE1 3.58Å; L1222-Y1231 PolarHBondContact O-N 2.85Å; E1229-Y1231 PolarHBondContact O-N 3.46Å; Y1231-K1233 VanDerWaalsContact C-N 3.26Å; Y1231-K1233 PolarHBondContact O-N 2.87Å; Y1231-Q1234 HydrophobicContact CD1-CG 4.27Å; Y1231-Q1234 VanDerWaalsContact CD1-NE2 3.33Å |
| 1232 | S | 85.3 | Confident | 89.7 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 51% | 0.51 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -59.5 | -36.6 | 178 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | E1229 A1230 | E1229-S1232 WeakPolarHBondContact O-CB 3.28Å; E1229-S1232 PolarHBondContact O-N 3.23Å; E1229-S1232 PolarHBondContact O-OG 2.57Å; A1230-S1232 PolarHBondContact O-N 2.8Å |
| 1233 | K | 83.5 | Confident | 90 | Very high | 139 Ų | 139 | 56.5 Ų | 56.5 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -154.5 | 116.4 | 168.9 | 174.7 | -174.2 | -179.9 | -174.7 | 0 | 109.1 | V1224 Y1231 | V1224-K1233 HydrophobicContact CG2-CB 3.59Å; V1224-K1233 HydrophobicContact CG2-CD 4.29Å; V1224-K1233 HydrophobicContact CG2-CG 4.31Å; Y1231-K1233 VanDerWaalsContact C-N 3.26Å; Y1231-K1233 PolarHBondContact O-N 2.87Å |
| 1234 | Q | 74.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | trans | -83 | 137.4 | 176.2 | -68.5 | 179.5 | -37.3 | 0 | 0 | 110.5 | Y1231 | Y1231-Q1234 HydrophobicContact CD1-CG 4.27Å; Y1231-Q1234 VanDerWaalsContact CD1-NE2 3.33Å | ||
| 1235 | W | 90 | Very high | 90.8 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.8 | 172.6 | 68.2 | -74.9 | 0 | 0 | 0 | 109.8 | R1221 Q1237 | R1221-W1235 HydrophobicContact CB-CD2 4.44Å; R1221-W1235 HydrophobicContact CB-CG 4.48Å; R1221-W1235 HydrophobicContact CB-CZ2 4.48Å; R1221-W1235 HydrophobicContact CG-CD2 4.39Å; R1221-W1235 HydrophobicContact CG-CZ2 4.05Å; R1221-W1235 PolarHBondContact N-O 3.42Å; W1235-Q1237 HydrophobicContact CE3-CB 4.25Å; W1235-Q1237 HydrophobicContact CH2-CB 4.16Å; W1235-Q1237 HydrophobicContact CH2-CG 4.39Å; W1235-Q1237 HydrophobicContact CZ3-CB 3.65Å; W1235-Q1237 HydrophobicContact CZ3-CG 4.31Å |
| 1236 | E | 92.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 52.3 Ų | 52.3 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.9 | -177.5 | -63.5 | -174.1 | 165.7 | 0 | 0 | 111.1 | S1101 N1103 P1218 V1219 | S1101-E1236 WeakPolarHBondContact CB-OE1 3.36Å; S1101-E1236 PolarHBondContact OG-OE1 3.33Å; S1101-E1236 PolarHBondContact OG-OE2 3.04Å; N1103-E1236 PolarHBondContact ND2-OE2 3.38Å; P1218-E1236 HydrophobicContact CB-CB 4.45Å; V1219-E1236 VanDerWaalsContact O-CA 3.3Å; V1219-E1236 WeakPolarHBondContact O-CA 3.43Å |
| 1237 | Q | 94.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.7 | 169.8 | 69.7 | -179.2 | 14.7 | 0 | 0 | 110 | V1219 R1221 W1235 D1241 T1242 | V1219-Q1237 WeakPolarHBondContact CB-O 3.2Å; V1219-Q1237 PolarHBondContact N-O 2.87Å; V1219-Q1237 PolarHBondContact O-N 2.82Å; V1219-Q1237 VanDerWaalsContact O-N 3.09Å; R1221-Q1237 HydrophobicContact CG-CG 3.94Å; W1235-Q1237 HydrophobicContact CE3-CB 4.25Å; W1235-Q1237 HydrophobicContact CH2-CB 4.16Å; W1235-Q1237 HydrophobicContact CH2-CG 4.39Å; W1235-Q1237 HydrophobicContact CZ3-CB 3.65Å; W1235-Q1237 HydrophobicContact CZ3-CG 4.31Å; Q1237-D1241 HydrophobicContact CB-CB 4.39Å; Q1237-D1241 HydrophobicContact CG-CB 4.28Å; Q1237-T1242 PolarHBondContact NE2-OG1 2.97Å |
| 1238 | P | 96.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 45 Ų | 45 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 149.2 | 173 | 26.9 | -34.6 | 0 | 0 | 0 | 111.5 | D1217 H1240 D1241 | D1217-P1238 CarbonylContact O-C 3.54Å; D1217-P1238 WeakPolarHBondContact O-CA 3.32Å; P1238-H1240 WeakPolarHBondContact CG-NE2 3.48Å; P1238-H1240 PolarHBondContact O-N 3.46Å; P1238-D1241 VanDerWaalsContact CD-OD2 3.3Å; P1238-D1241 WeakPolarHBondContact CD-OD2 3.21Å; P1238-D1241 HydrophobicContact CG-CB 4.33Å; P1238-D1241 VanDerWaalsContact CG-OD2 3.26Å; P1238-D1241 WeakPolarHBondContact CG-OD2 3.31Å; P1238-D1241 WeakPolarHBondContact O-CB 3.45Å; P1238-D1241 PolarHBondContact O-N 2.81Å |
| 1239 | L | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.9 | -37 | 179.8 | 177.6 | 62.4 | 0 | 0 | 0 | 112.9 | I1164 L1165 A1168 W1197 I1201 I1214 L1215 D1217 V1219 D1241 T1242 V1243 | I1164-L1239 HydrophobicContact CG2-CD2 4.17Å; L1165-L1239 HydrophobicContact CD2-CB 4.25Å; L1165-L1239 HydrophobicContact CD2-CD1 4.28Å; L1165-L1239 HydrophobicContact CD2-CD2 4.1Å; L1165-L1239 HydrophobicContact CD2-CG 4.44Å; A1168-L1239 HydrophobicContact CB-CD1 3.82Å; W1197-L1239 HydrophobicContact CH2-CD1 4.11Å; W1197-L1239 HydrophobicContact CZ2-CD1 3.64Å; I1201-L1239 HydrophobicContact CD1-CD1 4.27Å; I1201-L1239 HydrophobicContact CD1-CD2 4.24Å; I1201-L1239 HydrophobicContact CG2-CD2 4.43Å; I1214-L1239 HydrophobicContact CD1-CD2 4.26Å; I1214-L1239 HydrophobicContact CG1-CD2 3.85Å; I1214-L1239 HydrophobicContact CG2-CD2 4.27Å; I1214-L1239 WeakPolarHBondContact O-CB 3.48Å; I1214-L1239 WeakPolarHBondContact O-CD2 3.11Å; L1215-L1239 PolarHBondContact O-N 3.27Å; D1217-L1239 PolarHBondContact O-N 3.12Å; V1219-L1239 HydrophobicContact CG2-CB 3.89Å; V1219-L1239 HydrophobicContact CG2-CD1 3.8Å; V1219-L1239 HydrophobicContact CG2-CG 4.46Å; L1239-D1241 PolarHBondContact O-N 3.41Å; L1239-T1242 WeakPolarHBondContact O-CB 3.34Å; L1239-T1242 PolarHBondContact O-N 3.36Å; L1239-V1243 HydrophobicContact CD1-CG2 4.39Å; L1239-V1243 HydrophobicContact CG-CG2 4.31Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.23Å; L1239-V1243 PolarHBondContact O-N 3.47Å |
| 1240 | H | 97.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 15% | 0.153 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -29.9 | 178.6 | 55 | -128.7 | 0 | 0 | 0 | 113.9 | L1215 P1238 V1243 Q1244 Y1345 P1346 | L1215-H1240 HydrophobicContact CB-CB 4.3Å; L1215-H1240 VanDerWaalsContact O-CG 3.32Å; L1215-H1240 PolarHBondContact O-N 2.93Å; L1215-H1240 PolarHBondContact O-ND1 2.59Å; P1238-H1240 WeakPolarHBondContact CG-NE2 3.48Å; P1238-H1240 PolarHBondContact O-N 3.46Å; H1240-V1243 PolarHBondContact O-N 3.28Å; H1240-Q1244 WeakPolarHBondContact O-CB 3.47Å; H1240-Q1244 PolarHBondContact O-N 2.88Å; H1240-Y1345 HydrophobicContact CB-CD2 3.97Å; H1240-Y1345 HydrophobicContact CB-CE2 3.48Å; H1240-Y1345 VanDerWaalsContact CB-CE2 3.48Å; H1240-Y1345 PolarHBondContact O-OH 3.11Å; H1240-Y1345 VanDerWaalsContact O-OH 3.07Å; H1240-P1346 HydrophobicContact CB-CG 4.5Å |
| 1241 | D | 97.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.7 | -38 | 176.4 | -73.8 | -14.9 | 0 | 0 | 0 | 110.2 | Q1237 P1238 L1239 Q1244 E1245 F1347 | Q1237-D1241 HydrophobicContact CB-CB 4.39Å; Q1237-D1241 HydrophobicContact CG-CB 4.28Å; P1238-D1241 VanDerWaalsContact CD-OD2 3.3Å; P1238-D1241 WeakPolarHBondContact CD-OD2 3.21Å; P1238-D1241 HydrophobicContact CG-CB 4.33Å; P1238-D1241 VanDerWaalsContact CG-OD2 3.26Å; P1238-D1241 WeakPolarHBondContact CG-OD2 3.31Å; P1238-D1241 WeakPolarHBondContact O-CB 3.45Å; P1238-D1241 PolarHBondContact O-N 2.81Å; L1239-D1241 PolarHBondContact O-N 3.41Å; D1241-Q1244 PolarHBondContact O-N 3.29Å; D1241-E1245 WeakPolarHBondContact O-CB 3.3Å; D1241-E1245 PolarHBondContact O-N 3.25Å; D1241-F1347 VanDerWaalsContact OD1-CZ 3.26Å; D1241-F1347 WeakPolarHBondContact OD1-CZ 3.39Å |
| 1242 | T | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 175.8 | -46 | 0 | 0 | 0 | 0 | 111.1 | A1168 L1171 W1197 Q1237 L1239 E1245 A1246 | A1168-T1242 HydrophobicContact CB-CG2 4.22Å; L1171-T1242 HydrophobicContact CB-CG2 3.86Å; L1171-T1242 HydrophobicContact CD2-CG2 3.69Å; L1171-T1242 WeakPolarHBondContact CD2-O 3.36Å; L1171-T1242 HydrophobicContact CG-CG2 4.31Å; W1197-T1242 HydrophobicContact CH2-CG2 4.13Å; Q1237-T1242 PolarHBondContact NE2-OG1 2.97Å; L1239-T1242 WeakPolarHBondContact O-CB 3.34Å; L1239-T1242 PolarHBondContact O-N 3.36Å; T1242-E1245 PolarHBondContact O-N 3.35Å; T1242-A1246 PolarHBondContact O-N 2.86Å; T1242-A1246 VanDerWaalsContact O-N 3.12Å |
| 1243 | V | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 173.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | W1197 L1198 I1201 L1239 H1240 A1246 L1247 Y1345 | W1197-V1243 HydrophobicContact CH2-CG2 3.69Å; W1197-V1243 HydrophobicContact CZ3-CG2 4.08Å; L1198-V1243 HydrophobicContact CD2-CB 4.31Å; L1198-V1243 HydrophobicContact CD2-CG1 3.69Å; L1198-V1243 HydrophobicContact CD2-CG2 4.16Å; I1201-V1243 HydrophobicContact CD1-CG2 3.8Å; L1239-V1243 HydrophobicContact CD1-CG2 4.39Å; L1239-V1243 HydrophobicContact CG-CG2 4.31Å; L1239-V1243 WeakPolarHBondContact O-CG2 3.23Å; L1239-V1243 PolarHBondContact O-N 3.47Å; H1240-V1243 PolarHBondContact O-N 3.28Å; V1243-A1246 PolarHBondContact O-N 3.47Å; V1243-L1247 HydrophobicContact CG1-CD1 4.03Å; V1243-L1247 PolarHBondContact O-N 3.5Å; V1243-Y1345 HydrophobicContact CG1-CE2 4.26Å; V1243-Y1345 WeakPolarHBondContact CG1-OH 3.4Å |
| 1244 | Q | 98 | Very high | 95.2 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.9 | -176.8 | 63.8 | 21.7 | 0 | 0 | 111.1 | H1240 D1241 A1246 L1247 Q1248 Y1345 F1347 G1349 | H1240-Q1244 WeakPolarHBondContact O-CB 3.47Å; H1240-Q1244 PolarHBondContact O-N 2.88Å; D1241-Q1244 PolarHBondContact O-N 3.29Å; Q1244-A1246 VanDerWaalsContact C-N 3.33Å; Q1244-A1246 PolarHBondContact O-N 3.02Å; Q1244-L1247 PolarHBondContact O-N 2.87Å; Q1244-Q1248 WeakPolarHBondContact O-CB 3.05Å; Q1244-Q1248 PolarHBondContact O-N 3.06Å; Q1244-Y1345 PolarHBondContact N-OH 2.78Å; Q1244-Y1345 PolarHBondContact OE1-OH 3.42Å; Q1244-F1347 HydrophobicContact CB-CD2 3.54Å; Q1244-F1347 HydrophobicContact CB-CE2 3.49Å; Q1244-F1347 VanDerWaalsContact CB-CE2 3.49Å; Q1244-F1347 HydrophobicContact CB-CG 4.17Å; Q1244-F1347 HydrophobicContact CB-CZ 4.08Å; Q1244-F1347 HydrophobicContact CG-CB 4.34Å; Q1244-F1347 HydrophobicContact CG-CD1 3.91Å; Q1244-F1347 HydrophobicContact CG-CD2 3.6Å; Q1244-F1347 HydrophobicContact CG-CE1 4.07Å; Q1244-F1347 HydrophobicContact CG-CE2 3.76Å; Q1244-F1347 HydrophobicContact CG-CG 3.68Å; Q1244-F1347 HydrophobicContact CG-CZ 4Å; Q1244-F1347 VanDerWaalsContact OE1-CB 3.23Å; Q1244-G1349 PolarHBondContact NE2-O 2.9Å |
| 1245 | E | 96.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.3 | -50.4 | 175.9 | -173.2 | -170.1 | 148.6 | 0 | 0 | 110.4 | L1171 R1221 D1241 T1242 L1247 Q1248 R1249 | L1171-E1245 HydrophobicContact CD2-CB 3.97Å; L1171-E1245 HydrophobicContact CD2-CG 3.97Å; R1221-E1245 IonicContact CZ-OE2 2.87Å; R1221-E1245 IonicContact NE-OE2 3.45Å; R1221-E1245 IonicContact NH2-OE1 3.61Å; R1221-E1245 PolarHBondContact NH2-OE1 3.25Å; R1221-E1245 VanDerWaalsContact NH2-OE1 3.17Å; R1221-E1245 IonicContact NH2-OE2 2.77Å; R1221-E1245 PolarHBondContact NH2-OE2 3.29Å; D1241-E1245 WeakPolarHBondContact O-CB 3.3Å; D1241-E1245 PolarHBondContact O-N 3.25Å; T1242-E1245 PolarHBondContact O-N 3.35Å; E1245-L1247 PolarHBondContact O-N 2.94Å; E1245-Q1248 PolarHBondContact O-N 2.73Å; E1245-R1249 HydrophobicContact CG-CG 4.26Å; E1245-R1249 WeakPolarHBondContact O-CB 3.37Å; E1245-R1249 WeakPolarHBondContact O-CG 3.33Å; E1245-R1249 PolarHBondContact O-N 2.85Å |
| 1246 | A | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.1 | -51 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1171 V1194 T1242 V1243 Q1244 R1249 H1250 | L1171-A1246 HydrophobicContact CD1-CB 3.86Å; L1171-A1246 HydrophobicContact CD2-CB 4.24Å; V1194-A1246 HydrophobicContact CG2-CB 4.08Å; T1242-A1246 PolarHBondContact O-N 2.86Å; T1242-A1246 VanDerWaalsContact O-N 3.12Å; V1243-A1246 PolarHBondContact O-N 3.47Å; Q1244-A1246 VanDerWaalsContact C-N 3.33Å; Q1244-A1246 PolarHBondContact O-N 3.02Å; A1246-R1249 PolarHBondContact O-N 3.5Å; A1246-H1250 PolarHBondContact O-N 2.59Å; A1246-H1250 PolarHBondContact O-ND1 3.21Å |
| 1247 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | -178.6 | -69.4 | 159.7 | 0 | 0 | 0 | 112.4 | W1195 L1198 V1243 Q1244 E1245 R1249 H1250 F1251 L1336 V1350 W1363 | W1195-L1247 HydrophobicContact CH2-CD2 4.01Å; W1195-L1247 HydrophobicContact CZ3-CD2 3.97Å; L1198-L1247 HydrophobicContact CD1-CD2 4.13Å; L1198-L1247 HydrophobicContact CD1-CG 4.4Å; V1243-L1247 HydrophobicContact CG1-CD1 4.03Å; V1243-L1247 PolarHBondContact O-N 3.5Å; Q1244-L1247 PolarHBondContact O-N 2.87Å; E1245-L1247 PolarHBondContact O-N 2.94Å; L1247-R1249 VanDerWaalsContact C-N 3.34Å; L1247-R1249 PolarHBondContact O-N 3.25Å; L1247-H1250 PolarHBondContact O-N 3.14Å; L1247-F1251 PolarHBondContact O-N 3.28Å; L1247-L1336 HydrophobicContact CD1-CD1 3.23Å; L1247-V1350 HydrophobicContact CB-CG1 4.1Å; L1247-W1363 HydrophobicContact CB-CH2 4.34Å; L1247-W1363 HydrophobicContact CB-CZ3 4.47Å; L1247-W1363 HydrophobicContact CD1-CH2 3.87Å; L1247-W1363 HydrophobicContact CD1-CZ3 4.06Å |
| 1248 | Q | 97.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 177.8 | -179.5 | 60.5 | 35.8 | 0 | 0 | 110.9 | Q1244 E1245 F1251 E1252 K1351 | Q1244-Q1248 WeakPolarHBondContact O-CB 3.05Å; Q1244-Q1248 PolarHBondContact O-N 3.06Å; E1245-Q1248 PolarHBondContact O-N 2.73Å; Q1248-F1251 PolarHBondContact O-N 3.18Å; Q1248-E1252 PolarHBondContact NE2-OE1 3.44Å; Q1248-E1252 WeakPolarHBondContact O-CG 3.27Å; Q1248-E1252 PolarHBondContact O-N 3.47Å; Q1248-K1351 PolarHBondContact NE2-O 3.33Å |
| 1249 | R | 96.1 | Very high | 96 | Very high | 74 Ų | 74 | 35.9 Ų | 35.9 | 28% | 0.279 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 178.1 | -62.6 | -123 | 67.8 | 175.2 | -7.9 | 112.2 | D1226 E1245 A1246 L1247 F1251 E1252 G1253 I1254 | D1226-R1249 IonicContact OD1-NH1 3.98Å; D1226-R1249 IonicContact OD2-CZ 2.58Å; D1226-R1249 IonicContact OD2-NH1 2.75Å; D1226-R1249 PolarHBondContact OD2-NH1 3.26Å; E1245-R1249 HydrophobicContact CG-CG 4.26Å; E1245-R1249 WeakPolarHBondContact O-CB 3.37Å; E1245-R1249 WeakPolarHBondContact O-CG 3.33Å; E1245-R1249 PolarHBondContact O-N 2.85Å; A1246-R1249 PolarHBondContact O-N 3.5Å; L1247-R1249 VanDerWaalsContact C-N 3.34Å; L1247-R1249 PolarHBondContact O-N 3.25Å; R1249-F1251 VanDerWaalsContact C-N 3.31Å; R1249-F1251 PolarHBondContact O-N 3.37Å; R1249-E1252 PolarHBondContact O-N 2.97Å; R1249-G1253 CarbonylContact O-C 3.6Å; R1249-G1253 PolarHBondContact O-N 2.89Å; R1249-I1254 HydrophobicContact CB-CD1 4.15Å; R1249-I1254 HydrophobicContact CB-CG1 4.08Å; R1249-I1254 WeakPolarHBondContact O-CG1 3.34Å |
| 1250 | H | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 175.7 | -78.2 | 79.3 | 0 | 0 | 0 | 111.7 | G1174 W1195 A1246 L1247 G1253 V1278 G1279 | G1174-H1250 PolarHBondContact O-CE1 2.91Å; W1195-H1250 HydrophobicContact CZ2-CB 4.46Å; W1195-H1250 AromaticContact CZ2-CD2 3.62Å; W1195-H1250 AromaticContact NE1-CD2 4Å; W1195-H1250 AromaticContact NE1-NE2 3.69Å; A1246-H1250 PolarHBondContact O-N 2.59Å; A1246-H1250 PolarHBondContact O-ND1 3.21Å; L1247-H1250 PolarHBondContact O-N 3.14Å; H1250-G1253 PolarHBondContact O-N 3.41Å; H1250-V1278 VanDerWaalsContact CD2-CG1 3.49Å; H1250-V1278 WeakPolarHBondContact CD2-CG1 3.46Å; H1250-G1279 WeakPolarHBondContact O-CA 3.41Å |
| 1251 | F | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68 | -42.2 | 179 | -166.9 | -109.8 | 0 | 0 | 0 | 112.3 | L1247 Q1248 R1249 G1253 V1280 M1282 V1350 K1352 I1359 W1361 W1366 | L1247-F1251 PolarHBondContact O-N 3.28Å; Q1248-F1251 PolarHBondContact O-N 3.18Å; R1249-F1251 VanDerWaalsContact C-N 3.31Å; R1249-F1251 PolarHBondContact O-N 3.37Å; F1251-G1253 VanDerWaalsContact C-N 3.28Å; F1251-G1253 PolarHBondContact O-N 3.34Å; F1251-V1280 HydrophobicContact CD2-CB 4.24Å; F1251-V1280 HydrophobicContact CD2-CG1 4.34Å; F1251-V1280 HydrophobicContact CD2-CG2 4.24Å; F1251-M1282 HydrophobicContact CD2-CE 4.23Å; F1251-M1282 HydrophobicContact CE2-CE 3.95Å; F1251-M1282 HydrophobicContact CE2-SD 4.17Å; F1251-M1282 HydrophobicContact CZ-CE 4.24Å; F1251-M1282 HydrophobicContact CZ-SD 4.18Å; F1251-M1282 WeakPolarHBondContact O-CE 3.35Å; F1251-V1350 HydrophobicContact CB-CB 3.94Å; F1251-V1350 HydrophobicContact CB-CG1 4.45Å; F1251-V1350 HydrophobicContact CB-CG2 3.78Å; F1251-V1350 HydrophobicContact CD1-CB 3.91Å; F1251-V1350 HydrophobicContact CD1-CG2 3.58Å; F1251-V1350 HydrophobicContact CD2-CG2 3.69Å; F1251-V1350 HydrophobicContact CE1-CG2 4.05Å; F1251-V1350 HydrophobicContact CE2-CG2 4.18Å; F1251-V1350 HydrophobicContact CG-CB 3.93Å; F1251-V1350 HydrophobicContact CG-CG2 3.38Å; F1251-V1350 HydrophobicContact CZ-CG2 4.33Å; F1251-K1352 HydrophobicContact CD1-CB 3.81Å; F1251-K1352 HydrophobicContact CE1-CB 3.72Å; F1251-K1352 WeakPolarHBondContact O-CD 3.48Å; F1251-I1359 HydrophobicContact CE1-CG2 4.47Å; F1251-I1359 HydrophobicContact CZ-CG2 4.26Å; F1251-W1361 HydrophobicContact CD2-CE3 4.34Å; F1251-W1361 HydrophobicContact CE2-CB 4.43Å; F1251-W1361 AromaticContact CE2-CD2 3.56Å; F1251-W1361 HydrophobicContact CE2-CD2 3.56Å; F1251-W1361 AromaticContact CE2-CE3 3.32Å; F1251-W1361 HydrophobicContact CE2-CE3 3.32Å; F1251-W1361 HydrophobicContact CE2-CG 4.08Å; F1251-W1361 HydrophobicContact CE2-CH2 4.29Å; F1251-W1361 HydrophobicContact CE2-CZ2 4.5Å; F1251-W1361 AromaticContact CE2-CZ3 3.72Å; F1251-W1361 HydrophobicContact CE2-CZ3 3.72Å; F1251-W1361 HydrophobicContact CZ-CB 4.1Å; F1251-W1361 AromaticContact CZ-CD2 3.56Å; F1251-W1361 HydrophobicContact CZ-CD2 3.56Å; F1251-W1361 AromaticContact CZ-CE2 3.98Å; F1251-W1361 AromaticContact CZ-CE3 3.86Å; F1251-W1361 HydrophobicContact CZ-CE3 3.86Å; F1251-W1361 AromaticContact CZ-CG 3.69Å; F1251-W1361 HydrophobicContact CZ-CG 3.69Å; F1251-W1361 HydrophobicContact CZ-CZ3 4.47Å; F1251-W1366 HydrophobicContact CB-CH2 4.48Å; F1251-W1366 HydrophobicContact CD2-CE3 4.49Å; F1251-W1366 HydrophobicContact CD2-CH2 4.36Å; F1251-W1366 HydrophobicContact CD2-CZ3 4.33Å |
| 1252 | E | 95.1 | Very high | 95.1 | Very high | 70 Ų | 70 | 39.2 Ų | 39.2 | 33% | 0.327 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 173.1 | -73.8 | 170.8 | 179.4 | 0 | 0 | 112 | Q1248 R1249 K1352 | Q1248-E1252 PolarHBondContact NE2-OE1 3.44Å; Q1248-E1252 WeakPolarHBondContact O-CG 3.27Å; Q1248-E1252 PolarHBondContact O-N 3.47Å; R1249-E1252 PolarHBondContact O-N 2.97Å; E1252-K1352 WeakPolarHBondContact O-CE 3.25Å; E1252-K1352 PolarHBondContact O-NZ 3.21Å |
| 1253 | G | 94.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | trans | 106.7 | 124.4 | -175 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1249 H1250 F1251 | R1249-G1253 CarbonylContact O-C 3.6Å; R1249-G1253 PolarHBondContact O-N 2.89Å; H1250-G1253 PolarHBondContact O-N 3.41Å; F1251-G1253 VanDerWaalsContact C-N 3.28Å; F1251-G1253 PolarHBondContact O-N 3.34Å | ||
| 1254 | I | 95.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.1 | -177.9 | -61.3 | 162.5 | 0 | 0 | 0 | 108 | H1173 L1175 R1249 F1256 E1277 V1278 | H1173-I1254 HydrophobicContact CB-CG2 4.29Å; H1173-I1254 WeakPolarHBondContact O-CD1 3.5Å; H1173-I1254 WeakPolarHBondContact O-CG1 3.39Å; H1173-I1254 WeakPolarHBondContact O-CG2 3.04Å; L1175-I1254 HydrophobicContact CD2-CD1 4.24Å; L1175-I1254 HydrophobicContact CG-CD1 4.43Å; R1249-I1254 HydrophobicContact CB-CD1 4.15Å; R1249-I1254 HydrophobicContact CB-CG1 4.08Å; R1249-I1254 WeakPolarHBondContact O-CG1 3.34Å; I1254-F1256 HydrophobicContact CG2-CD1 3.62Å; I1254-F1256 HydrophobicContact CG2-CE1 3.78Å; I1254-E1277 WeakPolarHBondContact O-CA 3.3Å; I1254-V1278 HydrophobicContact CB-CB 4.29Å; I1254-V1278 PolarHBondContact N-O 3.09Å; I1254-V1278 PolarHBondContact O-N 3.37Å |
| 1255 | K | 95 | Very high | 93.9 | Very high | 157 Ų | 157 | 50.3 Ų | 50.3 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 115.7 | 173.4 | -169 | 169.5 | -172.9 | 132.1 | 0 | 110 | I1276 E1277 | K1255-I1276 WeakPolarHBondContact CA-O 3.43Å; K1255-E1277 IonicContact NZ-OE1 3.77Å; K1255-E1277 IonicContact NZ-OE2 3.96Å; K1255-E1277 PolarHBondContact NZ-OE2 3.13Å |
| 1256 | F | 94.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 165.6 | 178.4 | 69.6 | -80.4 | 0 | 0 | 0 | 110.7 | H1173 L1175 I1254 E1258 I1276 | H1173-F1256 HydrophobicContact CB-CD1 3.86Å; H1173-F1256 HydrophobicContact CB-CE1 3.78Å; H1173-F1256 HydrophobicContact CB-CG 4.4Å; H1173-F1256 HydrophobicContact CB-CZ 4.28Å; H1173-F1256 AromaticContact CD2-CD2 3.58Å; H1173-F1256 AromaticContact CD2-CE1 3.99Å; H1173-F1256 AromaticContact CD2-CE2 3.45Å; H1173-F1256 VanDerWaalsContact CD2-CE2 3.45Å; H1173-F1256 WeakPolarHBondContact CD2-CE2 3.42Å; H1173-F1256 AromaticContact CD2-CG 3.94Å; H1173-F1256 AromaticContact CD2-CZ 3.67Å; H1173-F1256 AromaticContact CG-CD1 3.88Å; H1173-F1256 AromaticContact CG-CE1 4Å; H1173-F1256 AromaticContact CG-CG 3.92Å; H1173-F1256 AromaticContact NE2-CD2 3.71Å; H1173-F1256 AromaticContact NE2-CE2 3.9Å; L1175-F1256 HydrophobicContact CD1-CE1 3.71Å; L1175-F1256 HydrophobicContact CD1-CZ 3.89Å; I1254-F1256 HydrophobicContact CG2-CD1 3.62Å; I1254-F1256 HydrophobicContact CG2-CE1 3.78Å; F1256-E1258 HydrophobicContact CE2-CG 4.4Å; F1256-I1276 HydrophobicContact CD1-CB 4.18Å; F1256-I1276 HydrophobicContact CD1-CG2 4.45Å; F1256-I1276 HydrophobicContact CE1-CB 3.68Å; F1256-I1276 HydrophobicContact CE1-CG1 4.39Å; F1256-I1276 HydrophobicContact CE1-CG2 3.64Å; F1256-I1276 HydrophobicContact CE2-CB 4.23Å; F1256-I1276 HydrophobicContact CE2-CG1 4.16Å; F1256-I1276 HydrophobicContact CZ-CB 3.7Å; F1256-I1276 HydrophobicContact CZ-CG1 3.88Å; F1256-I1276 HydrophobicContact CZ-CG2 3.86Å; F1256-I1276 PolarHBondContact N-O 2.98Å; F1256-I1276 PolarHBondContact O-N 3.29Å |
| 1257 | R | 94 | Very high | 93.4 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.1 | 168.4 | 179.9 | 173.3 | 178.5 | 83.5 | -2 | 108.2 | R1259 A1261 D1271 F1274 N1275 | R1257-R1259 PolarHBondContact O-N 3.35Å; R1257-A1261 HydrophobicContact CG-CB 4.1Å; R1257-D1271 IonicContact CZ-OD1 2.66Å; R1257-D1271 PolarHBondContact NH1-O 3.45Å; R1257-D1271 IonicContact NH1-OD1 3.91Å; R1257-D1271 IonicContact NH1-OD2 3.72Å; R1257-D1271 IonicContact NH2-OD1 3.71Å; R1257-D1271 PolarHBondContact NH2-OD1 3.08Å; R1257-D1271 IonicContact NH2-OD2 3.45Å; R1257-F1274 CarbonylContact C-O 3.48Å; R1257-F1274 WeakPolarHBondContact CA-O 3.49Å; R1257-F1274 HydrophobicContact CG-CB 4.44Å; R1257-N1275 PolarHBondContact NH1-OD1 3.32Å |
| 1258 | E | 92.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 134.3 | 178.3 | -100.3 | -166 | -91.6 | 0 | 0 | 110.8 | R1187 N1189 F1256 N1260 A1261 I1265 F1274 I1276 | R1187-E1258 IonicContact CZ-OE2 3.07Å; R1187-E1258 IonicContact NE-OE2 3.52Å; R1187-E1258 PolarHBondContact NE-OE2 3.27Å; R1187-E1258 IonicContact NH2-OE1 3.3Å; R1187-E1258 PolarHBondContact NH2-OE1 3.35Å; R1187-E1258 IonicContact NH2-OE2 2.66Å; R1187-E1258 PolarHBondContact NH2-OE2 3.14Å; N1189-E1258 VanDerWaalsContact CB-OE1 3.22Å; N1189-E1258 WeakPolarHBondContact CB-OE1 3.32Å; F1256-E1258 HydrophobicContact CE2-CG 4.4Å; E1258-N1260 PolarHBondContact O-N 3.4Å; E1258-A1261 VanDerWaalsContact O-CB 3.25Å; E1258-A1261 WeakPolarHBondContact O-CB 3.42Å; E1258-A1261 PolarHBondContact O-N 3.35Å; E1258-A1261 VanDerWaalsContact O-N 3.15Å; E1258-I1265 HydrophobicContact CB-CD1 4.27Å; E1258-F1274 HydrophobicContact CB-CB 4.33Å; E1258-F1274 HydrophobicContact CB-CD1 4.14Å; E1258-F1274 PolarHBondContact N-O 3.28Å; E1258-I1276 HydrophobicContact CG-CG1 4.39Å |
| 1259 | R | 88.8 | Confident | 92.9 | Very high | 88 Ų | 88 | 57 Ų | 57 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 135.5 | 179.9 | -167.1 | 176.2 | -168.8 | -125.4 | -7.1 | 109.3 | E1229 R1257 A1261 I1265 | E1229-R1259 IonicContact OE1-CZ 3.39Å; E1229-R1259 IonicContact OE1-NH1 2.72Å; E1229-R1259 IonicContact OE1-NH2 3.78Å; E1229-R1259 PolarHBondContact OE1-NH2 2.92Å; E1229-R1259 IonicContact OE2-CZ 3.52Å; E1229-R1259 IonicContact OE2-NH1 3.84Å; E1229-R1259 PolarHBondContact OE2-NH1 2.9Å; E1229-R1259 IonicContact OE2-NH2 3.9Å; E1229-R1259 PolarHBondContact OE2-NH2 3.43Å; R1257-R1259 PolarHBondContact O-N 3.35Å; R1259-A1261 PolarHBondContact O-N 3.2Å; R1259-I1265 WeakPolarHBondContact O-CD1 3.36Å |
| 1260 | N | 88.9 | Confident | 92.8 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 25.1 | -175.8 | -46 | -34.4 | 0 | 0 | 0 | 113.7 | E1258 G1262 I1265 | E1258-N1260 PolarHBondContact O-N 3.4Å; N1260-G1262 PolarHBondContact O-N 3.06Å; N1260-I1265 HydrophobicContact CB-CG2 3.99Å |
| 1261 | A | 91.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | trans | -46.7 | 131.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1257 E1258 R1259 F1274 | R1257-A1261 HydrophobicContact CG-CB 4.1Å; E1258-A1261 VanDerWaalsContact O-CB 3.25Å; E1258-A1261 WeakPolarHBondContact O-CB 3.42Å; E1258-A1261 PolarHBondContact O-N 3.35Å; E1258-A1261 VanDerWaalsContact O-N 3.15Å; R1259-A1261 PolarHBondContact O-N 3.2Å; A1261-F1274 HydrophobicContact CB-CB 3.66Å; A1261-F1274 HydrophobicContact CB-CD1 3.83Å; A1261-F1274 HydrophobicContact CB-CD2 4.01Å; A1261-F1274 HydrophobicContact CB-CE1 4.48Å; A1261-F1274 HydrophobicContact CB-CG 3.56Å | ||
| 1262 | G | 93.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 137.3 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1260 A1264 I1265 D1266 | N1260-G1262 PolarHBondContact O-N 3.06Å; G1262-A1264 PolarHBondContact O-N 2.82Å; G1262-I1265 WeakPolarHBondContact O-CG1 3.12Å; G1262-I1265 PolarHBondContact O-N 3.5Å; G1262-I1265 VanDerWaalsContact O-N 3.13Å; G1262-D1266 PolarHBondContact O-N 2.95Å |
| 1263 | P | 90.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 59 Ų | 59 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20 | -171.5 | -26.1 | 34.7 | 0 | 0 | 0 | 115.4 | I1265 D1266 | P1263-I1265 VanDerWaalsContact C-N 3.34Å; P1263-D1266 WeakPolarHBondContact CA-O 3.02Å |
| 1264 | A | 87.8 | Confident | 92.5 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 84% | 0.835 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -30.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1262 | G1262-A1264 PolarHBondContact O-N 2.82Š|
| 1265 | I | 89.2 | Confident | 92.5 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -29.2 | 177.3 | 67 | 170 | 0 | 0 | 0 | 112 | R1187 E1258 R1259 N1260 G1262 P1263 F1274 | R1187-I1265 PolarHBondContact NH1-O 3.4Å; E1258-I1265 HydrophobicContact CB-CD1 4.27Å; R1259-I1265 WeakPolarHBondContact O-CD1 3.36Å; N1260-I1265 HydrophobicContact CB-CG2 3.99Å; G1262-I1265 WeakPolarHBondContact O-CG1 3.12Å; G1262-I1265 PolarHBondContact O-N 3.5Å; G1262-I1265 VanDerWaalsContact O-N 3.13Å; P1263-I1265 VanDerWaalsContact C-N 3.34Å; I1265-F1274 HydrophobicContact CD1-CD1 4.06Å; I1265-F1274 HydrophobicContact CD1-CE1 3.8Å; I1265-F1274 HydrophobicContact CG1-CD1 4.5Å; I1265-F1274 HydrophobicContact CG1-CE1 3.75Å; I1265-F1274 HydrophobicContact CG1-CZ 4.47Å |
| 1266 | D | 91.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | trans | -153.8 | 106.4 | 176.5 | -160.3 | -49.1 | 0 | 0 | 0 | 109.8 | R1187 G1262 P1263 Q1268 M1269 F1274 | R1187-D1266 IonicContact NH1-OD2 2.73Å; R1187-D1266 IonicContact NH2-OD2 2.7Å; G1262-D1266 PolarHBondContact O-N 2.95Å; P1263-D1266 WeakPolarHBondContact CA-O 3.02Å; D1266-Q1268 VanDerWaalsContact C-N 3.28Å; D1266-Q1268 PolarHBondContact O-N 2.91Å; D1266-Q1268 PolarHBondContact OD1-N 2.95Å; D1266-M1269 HydrophobicContact CB-CB 3.99Å; D1266-M1269 WeakPolarHBondContact OD1-CB 3.19Å; D1266-M1269 PolarHBondContact OD1-N 3.39Å; D1266-F1274 HydrophobicContact CB-CE1 3.8Å; D1266-F1274 HydrophobicContact CB-CZ 3.89Å | ||
| 1267 | E | 92.6 | Very high | 92.4 | Very high | 134 Ų | 134 | 56 Ų | 56 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -78.7 | -10.1 | -179.3 | 54.9 | 162.1 | -159.5 | 0 | 0 | 113.9 | ||
| 1268 | Q | 93.3 | Very high | 92.6 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -103 | -37.6 | -174.8 | -51.6 | -56.1 | -24.7 | 0 | 0 | 111.5 | D1266 M1302 S1304 K1311 G1312 | D1266-Q1268 VanDerWaalsContact C-N 3.28Å; D1266-Q1268 PolarHBondContact O-N 2.91Å; D1266-Q1268 PolarHBondContact OD1-N 2.95Å; Q1268-M1302 HydrophobicContact CB-CG 3.92Å; Q1268-S1304 VanDerWaalsContact CD-CB 3.44Å; Q1268-S1304 VanDerWaalsContact OE1-CB 3.29Å; Q1268-K1311 VanDerWaalsContact OE1-CE 3.27Å; Q1268-G1312 WeakPolarHBondContact O-CA 3.31Å; Q1268-G1312 PolarHBondContact O-N 3.21Å |
| 1269 | M | 92.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 51 Ų | 51 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -62.8 | 139.4 | -177.4 | -171.3 | 175.4 | -67.8 | 0 | 0 | 113 | D1266 F1274 M1302 | D1266-M1269 HydrophobicContact CB-CB 3.99Å; D1266-M1269 WeakPolarHBondContact OD1-CB 3.19Å; D1266-M1269 PolarHBondContact OD1-N 3.39Å; M1269-F1274 HydrophobicContact CB-CE1 4.43Å; M1269-F1274 HydrophobicContact CB-CE2 4.34Å; M1269-F1274 HydrophobicContact CB-CZ 4.04Å; M1269-F1274 HydrophobicContact CG-CE2 4.39Å; M1269-F1274 HydrophobicContact CG-CZ 4.37Å; M1269-F1274 HydrophobicContact SD-CD1 3.83Å; M1269-F1274 HydrophobicContact SD-CE1 3.96Å; M1269-F1274 HydrophobicContact SD-CG 4.14Å; M1269-F1274 HydrophobicContact SD-CZ 4.37Å; M1269-M1302 HydrophobicContact CB-CE 4.27Å; M1269-M1302 HydrophobicContact CE-CE 4.01Å; M1269-M1302 HydrophobicContact CG-CE 4.02Å |
| 1270 | T | 93.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | trans | -71.7 | 158 | 172.6 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | A1272 G1273 G1312 | T1270-A1272 PolarHBondContact O-N 3.24Å; T1270-A1272 VanDerWaalsContact O-N 3.09Å; T1270-G1273 PolarHBondContact O-N 3.49Å; T1270-G1312 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1271 | D | 94.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.5 | -179.2 | -173.9 | 72.7 | 0 | 0 | 0 | 113.8 | R1257 G1273 | R1257-D1271 IonicContact CZ-OD1 2.66Å; R1257-D1271 PolarHBondContact NH1-O 3.45Å; R1257-D1271 IonicContact NH1-OD1 3.91Å; R1257-D1271 IonicContact NH1-OD2 3.72Å; R1257-D1271 IonicContact NH2-OD1 3.71Å; R1257-D1271 PolarHBondContact NH2-OD1 3.08Å; R1257-D1271 IonicContact NH2-OD2 3.45Å; D1271-G1273 VanDerWaalsContact C-N 3.34Å |
| 1272 | A | 93.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1270 F1274 N1275 W1293 | T1270-A1272 PolarHBondContact O-N 3.24Å; T1270-A1272 VanDerWaalsContact O-N 3.09Å; A1272-F1274 VanDerWaalsContact C-N 3.26Å; A1272-F1274 PolarHBondContact O-N 3.43Å; A1272-N1275 PolarHBondContact O-N 2.98Å; A1272-W1293 HydrophobicContact CB-CB 4.39Å; A1272-W1293 HydrophobicContact CB-CG 4.1Å |
| 1273 | G | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | T1270 D1271 N1275 W1293 N1294 | T1270-G1273 PolarHBondContact O-N 3.49Å; D1271-G1273 VanDerWaalsContact C-N 3.34Å; G1273-N1275 PolarHBondContact O-N 3.27Å; G1273-W1293 VanDerWaalsContact CA-O 3.3Å; G1273-W1293 WeakPolarHBondContact CA-O 3.45Å; G1273-N1294 WeakPolarHBondContact O-CB 3.18Å |
| 1274 | F | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.1 | 177.2 | -64 | -70.4 | 0 | 0 | 0 | 114.2 | R1257 E1258 A1261 I1265 D1266 M1269 A1272 | R1257-F1274 CarbonylContact C-O 3.48Å; R1257-F1274 WeakPolarHBondContact CA-O 3.49Å; R1257-F1274 HydrophobicContact CG-CB 4.44Å; E1258-F1274 HydrophobicContact CB-CB 4.33Å; E1258-F1274 HydrophobicContact CB-CD1 4.14Å; E1258-F1274 PolarHBondContact N-O 3.28Å; A1261-F1274 HydrophobicContact CB-CB 3.66Å; A1261-F1274 HydrophobicContact CB-CD1 3.83Å; A1261-F1274 HydrophobicContact CB-CD2 4.01Å; A1261-F1274 HydrophobicContact CB-CE1 4.48Å; A1261-F1274 HydrophobicContact CB-CG 3.56Å; I1265-F1274 HydrophobicContact CD1-CD1 4.06Å; I1265-F1274 HydrophobicContact CD1-CE1 3.8Å; I1265-F1274 HydrophobicContact CG1-CD1 4.5Å; I1265-F1274 HydrophobicContact CG1-CE1 3.75Å; I1265-F1274 HydrophobicContact CG1-CZ 4.47Å; D1266-F1274 HydrophobicContact CB-CE1 3.8Å; D1266-F1274 HydrophobicContact CB-CZ 3.89Å; M1269-F1274 HydrophobicContact CB-CE1 4.43Å; M1269-F1274 HydrophobicContact CB-CE2 4.34Å; M1269-F1274 HydrophobicContact CB-CZ 4.04Å; M1269-F1274 HydrophobicContact CG-CE2 4.39Å; M1269-F1274 HydrophobicContact CG-CZ 4.37Å; M1269-F1274 HydrophobicContact SD-CD1 3.83Å; M1269-F1274 HydrophobicContact SD-CE1 3.96Å; M1269-F1274 HydrophobicContact SD-CG 4.14Å; M1269-F1274 HydrophobicContact SD-CZ 4.37Å; A1272-F1274 VanDerWaalsContact C-N 3.26Å; A1272-F1274 PolarHBondContact O-N 3.43Å |
| 1275 | N | 95.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 35% | 0.353 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.3 | 177.7 | -56.3 | -39.9 | 0 | 0 | 0 | 108.9 | R1257 A1272 G1273 N1291 | R1257-N1275 PolarHBondContact NH1-OD1 3.32Å; A1272-N1275 PolarHBondContact O-N 2.98Å; G1273-N1275 PolarHBondContact O-N 3.27Å; N1275-N1291 PolarHBondContact O-ND2 3.49Å |
| 1276 | I | 93.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.1 | -177.1 | -55.2 | -57.8 | 0 | 0 | 0 | 109.2 | K1255 F1256 E1258 V1278 | K1255-I1276 WeakPolarHBondContact CA-O 3.43Å; F1256-I1276 HydrophobicContact CD1-CB 4.18Å; F1256-I1276 HydrophobicContact CD1-CG2 4.45Å; F1256-I1276 HydrophobicContact CE1-CB 3.68Å; F1256-I1276 HydrophobicContact CE1-CG1 4.39Å; F1256-I1276 HydrophobicContact CE1-CG2 3.64Å; F1256-I1276 HydrophobicContact CE2-CB 4.23Å; F1256-I1276 HydrophobicContact CE2-CG1 4.16Å; F1256-I1276 HydrophobicContact CZ-CB 3.7Å; F1256-I1276 HydrophobicContact CZ-CG1 3.88Å; F1256-I1276 HydrophobicContact CZ-CG2 3.86Å; F1256-I1276 PolarHBondContact N-O 2.98Å; F1256-I1276 PolarHBondContact O-N 3.29Å; E1258-I1276 HydrophobicContact CG-CG1 4.39Å; I1276-V1278 HydrophobicContact CG2-CG2 4.01Å |
| 1277 | E | 95.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.2 | 174 | -173.6 | 160.9 | 177.5 | 0 | 0 | 108.5 | I1254 K1255 G1289 G1290 | I1254-E1277 WeakPolarHBondContact O-CA 3.3Å; K1255-E1277 IonicContact NZ-OE1 3.77Å; K1255-E1277 IonicContact NZ-OE2 3.96Å; K1255-E1277 PolarHBondContact NZ-OE2 3.13Å; E1277-G1289 CarbonylContact O-C 3.58Å; E1277-G1289 WeakPolarHBondContact O-CA 3.19Å; E1277-G1290 PolarHBondContact O-N 2.95Å |
| 1278 | V | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.6 | -179.7 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | R1191 H1250 I1254 I1276 F1288 | R1191-V1278 HydrophobicContact CB-CG2 3.87Å; H1250-V1278 VanDerWaalsContact CD2-CG1 3.49Å; H1250-V1278 WeakPolarHBondContact CD2-CG1 3.46Å; I1254-V1278 HydrophobicContact CB-CB 4.29Å; I1254-V1278 PolarHBondContact N-O 3.09Å; I1254-V1278 PolarHBondContact O-N 3.37Å; I1276-V1278 HydrophobicContact CG2-CG2 4.01Å; V1278-F1288 CarbonylContact C-O 3.53Å; V1278-F1288 WeakPolarHBondContact CA-O 3.35Å; V1278-F1288 WeakPolarHBondContact CG1-O 3.33Å |
| 1279 | G | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | -165.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1250 V1287 F1288 | H1250-G1279 WeakPolarHBondContact O-CA 3.41Å; G1279-V1287 CarbonylContact O-C 3.39Å; G1279-V1287 WeakPolarHBondContact O-CA 3.26Å; G1279-F1288 VanDerWaalsContact C-CD1 3.49Å; G1279-F1288 VanDerWaalsContact C-CE1 3.44Å; G1279-F1288 PolarHBondContact N-O 3.37Å; G1279-F1288 WeakPolarHBondContact O-CD1 3.49Å; G1279-F1288 PolarHBondContact O-N 3.37Å |
| 1280 | V | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.7 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | F1251 M1282 F1286 V1287 W1361 W1366 | F1251-V1280 HydrophobicContact CD2-CB 4.24Å; F1251-V1280 HydrophobicContact CD2-CG1 4.34Å; F1251-V1280 HydrophobicContact CD2-CG2 4.24Å; V1280-M1282 HydrophobicContact CB-CE 4.36Å; V1280-M1282 PolarHBondContact O-N 3Å; V1280-F1286 WeakPolarHBondContact CA-O 3.34Å; V1280-V1287 HydrophobicContact CG2-CG1 4.43Å; V1280-W1361 HydrophobicContact CG1-CZ3 4.15Å; V1280-W1366 HydrophobicContact CB-CZ2 4.3Å; V1280-W1366 HydrophobicContact CG1-CZ2 3.94Å; V1280-W1366 HydrophobicContact CG2-CH2 3.89Å; V1280-W1366 HydrophobicContact CG2-CZ2 3.36Å |
| 1281 | D | 95.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | trans | -68.8 | 119.3 | 172.1 | -175.1 | -40.6 | 0 | 0 | 0 | 107.9 | E1283 T1284 G1285 F1286 F1288 K1408 | D1281-E1283 PolarHBondContact O-N 2.98Å; D1281-E1283 VanDerWaalsContact OD1-CB 3.3Å; D1281-E1283 WeakPolarHBondContact OD1-CB 3.44Å; D1281-E1283 PolarHBondContact OD1-N 2.84Å; D1281-T1284 WeakPolarHBondContact CB-OG1 3.38Å; D1281-T1284 PolarHBondContact OD1-N 3.09Å; D1281-G1285 WeakPolarHBondContact O-CA 3.3Å; D1281-G1285 PolarHBondContact O-N 2.73Å; D1281-F1286 PolarHBondContact N-O 3.19Å; D1281-F1288 HydrophobicContact CB-CD1 4.38Å; D1281-K1408 IonicContact OD2-NZ 3.92Å; D1281-K1408 PolarHBondContact OD2-NZ 2.96Å | ||
| 1282 | M | 94.1 | Very high | 95.5 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 30% | 0.296 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.9 | -173.1 | -64.3 | -71.5 | 147.1 | 0 | 0 | 112.8 | F1251 V1280 K1352 W1361 | F1251-M1282 HydrophobicContact CD2-CE 4.23Å; F1251-M1282 HydrophobicContact CE2-CE 3.95Å; F1251-M1282 HydrophobicContact CE2-SD 4.17Å; F1251-M1282 HydrophobicContact CZ-CE 4.24Å; F1251-M1282 HydrophobicContact CZ-SD 4.18Å; F1251-M1282 WeakPolarHBondContact O-CE 3.35Å; V1280-M1282 HydrophobicContact CB-CE 4.36Å; V1280-M1282 PolarHBondContact O-N 3Å; M1282-K1352 HydrophobicContact CE-CD 3.75Å; M1282-W1361 WeakPolarHBondContact O-CH2 3.48Å; M1282-W1361 WeakPolarHBondContact O-CZ2 3.34Å; M1282-W1361 HydrophobicContact SD-CH2 4.32Å; M1282-W1361 HydrophobicContact SD-CZ2 4.22Å |
| 1283 | E | 93.8 | Very high | 95.6 | Very high | 144 Ų | 144 | 33.9 Ų | 33.9 | 67% | 0.673 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -55.6 | 177 | -172 | 177.5 | -175.4 | 0 | 0 | 110.4 | D1281 | D1281-E1283 PolarHBondContact O-N 2.98Å; D1281-E1283 VanDerWaalsContact OD1-CB 3.3Å; D1281-E1283 WeakPolarHBondContact OD1-CB 3.44Å; D1281-E1283 PolarHBondContact OD1-N 2.84Å |
| 1284 | T | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -17.8 | -172.9 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | D1281 F1286 K1369 I1370 A1373 Y1407 | D1281-T1284 WeakPolarHBondContact CB-OG1 3.38Å; D1281-T1284 PolarHBondContact OD1-N 3.09Å; T1284-F1286 HydrophobicContact CG2-CD2 4.2Å; T1284-F1286 HydrophobicContact CG2-CE2 4.04Å; T1284-F1286 PolarHBondContact O-N 3.2Å; T1284-F1286 WeakPolarHBondContact OG1-CB 3.37Å; T1284-F1286 VanDerWaalsContact OG1-CD2 3.25Å; T1284-F1286 WeakPolarHBondContact OG1-CD2 3.41Å; T1284-F1286 VanDerWaalsContact OG1-CG 3.27Å; T1284-F1286 WeakPolarHBondContact OG1-CG 3.25Å; T1284-F1286 PolarHBondContact OG1-N 2.84Å; T1284-K1369 CarbonylContact O-C 3.6Å; T1284-K1369 VanDerWaalsContact O-C 3.24Å; T1284-K1369 VanDerWaalsContact O-O 3.08Å; T1284-I1370 WeakPolarHBondContact O-CA 3.2Å; T1284-I1370 PolarHBondContact O-N 2.89Å; T1284-A1373 HydrophobicContact CG2-CB 4Å; T1284-Y1407 HydrophobicContact CG2-CE1 4.49Å |
| 1285 | G | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | 74.3 | 1.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1281 W1366 I1370 | D1281-G1285 WeakPolarHBondContact O-CA 3.3Å; D1281-G1285 PolarHBondContact O-N 2.73Å; G1285-W1366 PolarHBondContact O-NE1 2.75Å; G1285-I1370 WeakPolarHBondContact O-CG1 3.47Å | ||
| 1286 | F | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -70 | 139.3 | -178.9 | -59.9 | -21.6 | 0 | 0 | 0 | 111.8 | V1280 D1281 T1284 S1321 V1326 I1370 A1373 F1374 H1377 Y1378 Y1407 | V1280-F1286 WeakPolarHBondContact CA-O 3.34Å; D1281-F1286 PolarHBondContact N-O 3.19Å; T1284-F1286 HydrophobicContact CG2-CD2 4.2Å; T1284-F1286 HydrophobicContact CG2-CE2 4.04Å; T1284-F1286 PolarHBondContact O-N 3.2Å; T1284-F1286 WeakPolarHBondContact OG1-CB 3.37Å; T1284-F1286 VanDerWaalsContact OG1-CD2 3.25Å; T1284-F1286 WeakPolarHBondContact OG1-CD2 3.41Å; T1284-F1286 VanDerWaalsContact OG1-CG 3.27Å; T1284-F1286 WeakPolarHBondContact OG1-CG 3.25Å; T1284-F1286 PolarHBondContact OG1-N 2.84Å; F1286-S1321 WeakPolarHBondContact CB-OG 3.37Å; F1286-V1326 HydrophobicContact CB-CG2 3.97Å; F1286-V1326 HydrophobicContact CD1-CG1 3.44Å; F1286-V1326 VanDerWaalsContact CD1-CG1 3.44Å; F1286-V1326 HydrophobicContact CD1-CG2 4.26Å; F1286-V1326 HydrophobicContact CE1-CG1 3.85Å; F1286-V1326 HydrophobicContact CG-CG1 4.09Å; F1286-V1326 HydrophobicContact CG-CG2 4.07Å; F1286-I1370 HydrophobicContact CD1-CB 4.49Å; F1286-I1370 HydrophobicContact CD1-CG1 4.32Å; F1286-I1370 HydrophobicContact CD1-CG2 4.12Å; F1286-I1370 HydrophobicContact CE1-CG2 4.04Å; F1286-A1373 HydrophobicContact CE1-CB 3.9Å; F1286-A1373 HydrophobicContact CE2-CB 4.41Å; F1286-A1373 HydrophobicContact CZ-CB 3.6Å; F1286-F1374 HydrophobicContact CE1-CB 4.4Å; F1286-F1374 HydrophobicContact CE1-CD2 4.49Å; F1286-F1374 HydrophobicContact CZ-CB 4.46Å; F1286-H1377 HydrophobicContact CE2-CB 4Å; F1286-H1377 HydrophobicContact CZ-CB 4.41Å; F1286-Y1378 HydrophobicContact CD2-CE2 4.07Å; F1286-Y1378 HydrophobicContact CE2-CD2 4.27Å; F1286-Y1378 AromaticContact CE2-CE2 3.65Å; F1286-Y1378 HydrophobicContact CE2-CE2 3.65Å; F1286-Y1378 HydrophobicContact CZ-CD2 4.32Å; F1286-Y1378 AromaticContact CZ-CE2 3.96Å; F1286-Y1378 HydrophobicContact CZ-CE2 3.96Å; F1286-Y1407 AromaticContact CD2-CD1 3.94Å; F1286-Y1407 HydrophobicContact CD2-CD1 3.94Å; F1286-Y1407 HydrophobicContact CD2-CE1 4.44Å; F1286-Y1407 HydrophobicContact CE2-CD1 4.1Å; F1286-Y1407 HydrophobicContact CE2-CE1 4.44Å | ||
| 1287 | V | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.6 | 167.3 | -61.5 | 0 | 0 | 0 | 0 | 109 | W1195 G1279 V1280 S1321 L1325 | W1195-V1287 HydrophobicContact CH2-CG1 3.63Å; W1195-V1287 HydrophobicContact CZ2-CB 4.09Å; W1195-V1287 HydrophobicContact CZ2-CG1 3.35Å; G1279-V1287 CarbonylContact O-C 3.39Å; G1279-V1287 WeakPolarHBondContact O-CA 3.26Å; V1280-V1287 HydrophobicContact CG2-CG1 4.43Å; V1287-S1321 WeakPolarHBondContact O-CA 3.18Å; V1287-S1321 WeakPolarHBondContact O-CB 3.34Å; V1287-S1321 PolarHBondContact O-OG 2.97Å; V1287-L1325 HydrophobicContact CG2-CB 3.83Å; V1287-L1325 WeakPolarHBondContact CG2-O 3.17Å |
| 1288 | F | 97.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 27 Ų | 27 | 29% | 0.285 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.7 | 177.2 | 75.2 | -90.4 | 0 | 0 | 0 | 110.4 | V1278 G1279 D1281 G1320 | V1278-F1288 CarbonylContact C-O 3.53Å; V1278-F1288 WeakPolarHBondContact CA-O 3.35Å; V1278-F1288 WeakPolarHBondContact CG1-O 3.33Å; G1279-F1288 VanDerWaalsContact C-CD1 3.49Å; G1279-F1288 VanDerWaalsContact C-CE1 3.44Å; G1279-F1288 PolarHBondContact N-O 3.37Å; G1279-F1288 WeakPolarHBondContact O-CD1 3.49Å; G1279-F1288 PolarHBondContact O-N 3.37Å; D1281-F1288 HydrophobicContact CB-CD1 4.38Å; F1288-G1320 CarbonylContact C-O 3.51Å; F1288-G1320 VanDerWaalsContact CA-O 3.3Å; F1288-G1320 WeakPolarHBondContact CA-O 3.47Å |
| 1289 | G | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176 | 178.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1191 E1277 D1319 G1320 | R1191-G1289 PolarHBondContact NE-O 3.05Å; E1277-G1289 CarbonylContact O-C 3.58Å; E1277-G1289 WeakPolarHBondContact O-CA 3.19Å; G1289-D1319 CarbonylContact O-C 3.29Å; G1289-D1319 VanDerWaalsContact O-CA 3.27Å; G1289-D1319 WeakPolarHBondContact O-CA 2.99Å; G1289-G1320 PolarHBondContact N-O 3.05Å; G1289-G1320 PolarHBondContact O-N 2.92Å |
| 1290 | G | 93.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | trans | 86.3 | -175.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1277 N1294 | E1277-G1290 PolarHBondContact O-N 2.95Å; G1290-N1294 VanDerWaalsContact CA-OD1 3.28Å; G1290-N1294 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 1291 | N | 93.7 | Very high | 95.4 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | trans | -152.6 | 171.9 | 171.3 | 64.3 | 60.3 | 0 | 0 | 0 | 109.3 | N1275 W1293 N1294 D1319 | N1275-N1291 PolarHBondContact O-ND2 3.49Å; N1291-W1293 PolarHBondContact O-N 3.44Å; N1291-W1293 WeakPolarHBondContact OD1-CA 3.41Å; N1291-W1293 VanDerWaalsContact OD1-CB 3.3Å; N1291-W1293 WeakPolarHBondContact OD1-CB 3.25Å; N1291-W1293 PolarHBondContact OD1-N 3.1Å; N1291-N1294 PolarHBondContact N-ND2 3.14Å; N1291-N1294 PolarHBondContact N-OD1 2.9Å; N1291-N1294 PolarHBondContact ND2-ND2 3.39Å; N1291-N1294 PolarHBondContact O-N 3.32Å; N1291-N1294 VanDerWaalsContact O-N 3.14Å; N1291-N1294 PolarHBondContact O-OD1 2.68Å; N1291-N1294 PolarHBondContact OD1-N 3.24Å; N1291-D1319 WeakPolarHBondContact CA-OD2 3Å | ||
| 1292 | K | 94.5 | Very high | 95.4 | Very high | 98 Ų | 98 | 30 Ų | 30 | 43% | 0.426 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -12.2 | 180 | 68.6 | 177.4 | 179.9 | 173.9 | 0 | 116.7 | D1319 | K1292-D1319 PolarHBondContact N-OD2 2.83Š|
| 1293 | W | 95.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 27.2 Ų | 27.2 | 34% | 0.337 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 3.5 | -176.5 | -55.2 | 117.3 | 0 | 0 | 0 | 113.7 | A1272 G1273 N1291 M1302 P1314 | A1272-W1293 HydrophobicContact CB-CB 4.39Å; A1272-W1293 HydrophobicContact CB-CG 4.1Å; G1273-W1293 VanDerWaalsContact CA-O 3.3Å; G1273-W1293 WeakPolarHBondContact CA-O 3.45Å; N1291-W1293 PolarHBondContact O-N 3.44Å; N1291-W1293 WeakPolarHBondContact OD1-CA 3.41Å; N1291-W1293 VanDerWaalsContact OD1-CB 3.3Å; N1291-W1293 WeakPolarHBondContact OD1-CB 3.25Å; N1291-W1293 PolarHBondContact OD1-N 3.1Å; W1293-M1302 WeakPolarHBondContact O-CE 3.32Å; W1293-P1314 VanDerWaalsContact C-CG 3.43Å |
| 1294 | N | 92.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | trans | -128.2 | 172.4 | 178.9 | 71.6 | 23.9 | 0 | 0 | 0 | 113.2 | G1273 G1290 N1291 P1317 | G1273-N1294 WeakPolarHBondContact O-CB 3.18Å; G1290-N1294 VanDerWaalsContact CA-OD1 3.28Å; G1290-N1294 WeakPolarHBondContact CA-OD1 3.48Å; N1291-N1294 PolarHBondContact N-ND2 3.14Å; N1291-N1294 PolarHBondContact N-OD1 2.9Å; N1291-N1294 PolarHBondContact ND2-ND2 3.39Å; N1291-N1294 PolarHBondContact O-N 3.32Å; N1291-N1294 VanDerWaalsContact O-N 3.14Å; N1291-N1294 PolarHBondContact O-OD1 2.68Å; N1291-N1294 PolarHBondContact OD1-N 3.24Å; N1294-P1317 VanDerWaalsContact O-CA 3.29Å; N1294-P1317 WeakPolarHBondContact O-CA 3.33Å; N1294-P1317 WeakPolarHBondContact O-CB 3.37Å | ||
| 1295 | C | 92.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 7% | 0.068 | 11% | 0.108 | C | C | . | . | trans | -127.1 | 62.3 | -169.4 | -76 | 0 | 0 | 0 | 0 | 110.1 | T1297 D1300 | C1295-T1297 VanDerWaalsContact C-N 3.31Å; C1295-T1297 PolarHBondContact O-N 3.19Å; C1295-D1300 HydrophobicContact CB-CB 3.79Å; C1295-D1300 WeakPolarHBondContact CB-O 3.43Å; C1295-D1300 VanDerWaalsContact SG-C 3.59Å; C1295-D1300 PolarHBondContact SG-O 2.77Å | ||
| 1296 | G | 93.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | trans | -73.8 | -15.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1190 R1191 | C1190-G1296 WeakPolarHBondContact CA-O 3.49Å; R1191-G1296 WeakPolarHBondContact CG-O 3.48Å; R1191-G1296 PolarHBondContact N-O 2.76Å | ||
| 1297 | T | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -108.5 | 176.5 | -177.1 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | R1141 D1192 C1295 M1299 D1300 R1318 A1322 | R1141-T1297 PolarHBondContact NH2-O 3.22Å; D1192-T1297 VanDerWaalsContact OD2-C 3.27Å; D1192-T1297 WeakPolarHBondContact OD2-CA 3.4Å; C1295-T1297 VanDerWaalsContact C-N 3.31Å; C1295-T1297 PolarHBondContact O-N 3.19Å; T1297-M1299 PolarHBondContact O-N 2.9Å; T1297-M1299 VanDerWaalsContact O-N 3.1Å; T1297-D1300 WeakPolarHBondContact O-CB 3.35Å; T1297-R1318 HydrophobicContact CG2-CB 4.14Å; T1297-R1318 PolarHBondContact OG1-NH1 2.9Å; T1297-R1318 VanDerWaalsContact OG1-NH1 3.15Å; T1297-A1322 HydrophobicContact CG2-CB 4.25Å |
| 1298 | W | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -56.9 | -23.6 | 177.2 | 83.6 | -91 | 0 | 0 | 0 | 115.1 | R1141 D1192 D1300 N1421 T1457 H1487 W1492 W1494 P1495 W1564 | R1141-W1298 VanDerWaalsContact CD-CB 3.45Å; R1141-W1298 HydrophobicContact CG-CB 4.47Å; R1141-W1298 VanDerWaalsContact CZ-CA 3.45Å; R1141-W1298 VanDerWaalsContact NE-CA 3.32Å; D1192-W1298 PolarHBondContact OD2-N 2.71Å; W1298-D1300 PolarHBondContact O-N 2.93Å; W1298-N1421 PolarHBondContact NE1-OD1 2.72Å; W1298-T1457 HydrophobicContact CH2-CG2 3.73Å; W1298-T1457 HydrophobicContact CZ2-CG2 4.44Å; W1298-H1487 AromaticContact CE3-CE1 3.58Å; W1298-H1487 AromaticContact CE3-ND1 3.83Å; W1298-H1487 AromaticContact CZ3-CE1 3.58Å; W1298-H1487 AromaticContact CZ3-ND1 3.49Å; W1298-H1487 WeakPolarHBondContact CZ3-ND1 3.41Å; W1298-H1487 PolarHBondContact O-CE1 2.73Å; W1298-H1487 PolarHBondContact O-NE2 3.42Å; W1298-H1487 VanDerWaalsContact O-NE2 3.16Å; W1298-W1492 HydrophobicContact CE3-CE3 4.47Å; W1298-W1492 HydrophobicContact CE3-CZ3 4.44Å; W1298-W1492 HydrophobicContact CH2-CB 4.18Å; W1298-W1492 AromaticContact CH2-CD2 3.95Å; W1298-W1492 HydrophobicContact CH2-CD2 3.95Å; W1298-W1492 HydrophobicContact CH2-CE3 4.31Å; W1298-W1492 AromaticContact CH2-CG 3.92Å; W1298-W1492 HydrophobicContact CH2-CG 3.92Å; W1298-W1492 AromaticContact CZ3-CD2 3.5Å; W1298-W1492 HydrophobicContact CZ3-CD2 3.5Å; W1298-W1492 AromaticContact CZ3-CE2 3.79Å; W1298-W1492 AromaticContact CZ3-CE3 3.6Å; W1298-W1492 HydrophobicContact CZ3-CE3 3.6Å; W1298-W1492 AromaticContact CZ3-CG 3.99Å; W1298-W1492 HydrophobicContact CZ3-CG 3.99Å; W1298-W1492 HydrophobicContact CZ3-CH2 4.14Å; W1298-W1492 HydrophobicContact CZ3-CZ2 4.08Å; W1298-W1492 AromaticContact CZ3-CZ3 3.93Å; W1298-W1492 HydrophobicContact CZ3-CZ3 3.93Å; W1298-W1494 HydrophobicContact CB-CZ2 4.45Å; W1298-W1494 AromaticContact CD1-CZ2 3.85Å; W1298-W1494 AromaticContact CD2-CZ2 3.53Å; W1298-W1494 HydrophobicContact CD2-CZ2 3.53Å; W1298-W1494 AromaticContact CE2-CZ2 3.45Å; W1298-W1494 VanDerWaalsContact CE2-CZ2 3.45Å; W1298-W1494 HydrophobicContact CE3-CZ2 4.03Å; W1298-W1494 AromaticContact CE3-NE1 3.67Å; W1298-W1494 AromaticContact CG-CZ2 3.74Å; W1298-W1494 HydrophobicContact CG-CZ2 3.74Å; W1298-W1494 HydrophobicContact CH2-CZ2 4.33Å; W1298-W1494 AromaticContact CH2-NE1 3.81Å; W1298-W1494 AromaticContact CZ2-CZ2 3.85Å; W1298-W1494 HydrophobicContact CZ2-CZ2 3.85Å; W1298-W1494 HydrophobicContact CZ3-CZ2 4.42Å; W1298-W1494 AromaticContact CZ3-NE1 3.54Å; W1298-W1494 AromaticContact NE1-CZ2 3.68Å; W1298-P1495 HydrophobicContact CH2-CG 3.85Å; W1298-P1495 HydrophobicContact CZ2-CG 3.93Å; W1298-W1564 HydrophobicContact CE3-CH2 4.35Å; W1298-W1564 HydrophobicContact CE3-CZ3 4.46Å |
| 1299 | M | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -83.7 | 64.7 | 175.8 | -64.2 | -179.6 | 150.6 | 0 | 0 | 110.4 | T1297 S1316 R1318 R1419 N1421 T1457 H1487 | T1297-M1299 PolarHBondContact O-N 2.9Å; T1297-M1299 VanDerWaalsContact O-N 3.1Å; M1299-S1316 WeakPolarHBondContact CB-OG 3.45Å; M1299-S1316 PolarHBondContact O-OG 3.35Å; M1299-R1318 VanDerWaalsContact SD-CD 3.55Å; M1299-R1419 PolarHBondContact SD-NH1 3.49Å; M1299-N1421 PolarHBondContact SD-ND2 2.95Å; M1299-N1421 VanDerWaalsContact SD-ND2 3.37Å; M1299-T1457 HydrophobicContact CE-CG2 3.91Å; M1299-H1487 WeakPolarHBondContact CA-CD2 3.42Å; M1299-H1487 WeakPolarHBondContact CA-NE2 3.34Å; M1299-H1487 HydrophobicContact CB-CB 3.84Å; M1299-H1487 HydrophobicContact CG-CB 4Å | ||
| 1300 | D | 95.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | trans | -102.8 | 19.8 | -159.1 | 57.8 | -0.8 | 0 | 0 | 0 | 117.5 | R1141 C1295 T1297 W1298 M1302 H1487 | R1141-D1300 IonicContact CZ-OD2 3.84Å; R1141-D1300 IonicContact NH1-OD2 3.68Å; R1141-D1300 PolarHBondContact NH1-OD2 3.08Å; C1295-D1300 HydrophobicContact CB-CB 3.79Å; C1295-D1300 WeakPolarHBondContact CB-O 3.43Å; C1295-D1300 VanDerWaalsContact SG-C 3.59Å; C1295-D1300 PolarHBondContact SG-O 2.77Å; T1297-D1300 WeakPolarHBondContact O-CB 3.35Å; W1298-D1300 PolarHBondContact O-N 2.93Å; D1300-M1302 PolarHBondContact O-N 2.83Å; D1300-H1487 PolarHBondContact N-CD2 2.85Å; D1300-H1487 VanDerWaalsContact N-CD2 3.28Å; D1300-H1487 PolarHBondContact N-NE2 3.3Å; D1300-H1487 IonicContact OD1-NE2 3.81Å; D1300-H1487 PolarHBondContact OD1-NE2 2.77Å | ||
| 1301 | K | 95.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | trans | -68.5 | 111.3 | -178.1 | -175 | 69 | -179.7 | -164.5 | 0 | 111.8 | A1315 N1471 K1482 G1483 Y1486 | K1301-A1315 HydrophobicContact CB-CB 4.1Å; K1301-A1315 HydrophobicContact CG-CB 4.39Å; K1301-A1315 WeakPolarHBondContact O-CB 3.35Å; K1301-A1315 PolarHBondContact O-N 2.84Å; K1301-N1471 PolarHBondContact NZ-OD1 2.87Å; K1301-K1482 WeakPolarHBondContact CE-O 3.22Å; K1301-K1482 PolarHBondContact NZ-O 3.47Å; K1301-G1483 VanDerWaalsContact CE-O 3.29Å; K1301-G1483 WeakPolarHBondContact CE-O 3.48Å; K1301-Y1486 HydrophobicContact CB-CD1 4.5Å | ||
| 1302 | M | 95.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 127.4 | 166.5 | -175.6 | 58.2 | 66.4 | 0 | 0 | 110 | Q1268 M1269 W1293 D1300 P1314 | Q1268-M1302 HydrophobicContact CB-CG 3.92Å; M1269-M1302 HydrophobicContact CB-CE 4.27Å; M1269-M1302 HydrophobicContact CE-CE 4.01Å; M1269-M1302 HydrophobicContact CG-CE 4.02Å; W1293-M1302 WeakPolarHBondContact O-CE 3.32Å; D1300-M1302 PolarHBondContact O-N 2.83Å; M1302-P1314 HydrophobicContact CE-CG 3.79Å; M1302-P1314 HydrophobicContact SD-CG 4.22Å |
| 1303 | G | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -64.7 | 144.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1310 K1311 G1312 T1313 | G1303-N1310 CarbonylContact C-O 3.58Å; G1303-N1310 WeakPolarHBondContact CA-O 3.43Å; G1303-K1311 CarbonylContact O-C 3.54Å; G1303-K1311 WeakPolarHBondContact O-CA 3.5Å; G1303-G1312 PolarHBondContact O-N 2.84Å; G1303-T1313 WeakPolarHBondContact CA-O 3.34Å; G1303-T1313 PolarHBondContact N-O 3.44Å | ||
| 1304 | S | 95.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 21% | 0.21 | 18% | 0.176 | C | C | . | . | trans | -140.7 | 3.4 | -172.9 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | Q1268 N1310 K1482 | Q1268-S1304 VanDerWaalsContact CD-CB 3.44Å; Q1268-S1304 VanDerWaalsContact OE1-CB 3.29Å; S1304-N1310 PolarHBondContact N-OD1 2.89Å; S1304-K1482 WeakPolarHBondContact OG-CB 3.3Å | ||
| 1305 | S | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -87.7 | 111.9 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | K1307 A1308 G1309 N1310 K1311 D1474 | S1305-K1307 VanDerWaalsContact C-N 3.31Å; S1305-K1307 PolarHBondContact OG-N 3.35Å; S1305-A1308 PolarHBondContact OG-N 3.01Å; S1305-G1309 PolarHBondContact O-N 2.87Å; S1305-N1310 WeakPolarHBondContact CA-OD1 3.46Å; S1305-N1310 VanDerWaalsContact CB-OD1 3.25Å; S1305-N1310 WeakPolarHBondContact CB-OD1 3.46Å; S1305-N1310 PolarHBondContact N-OD1 2.79Å; S1305-N1310 PolarHBondContact O-N 3.11Å; S1305-N1310 VanDerWaalsContact O-N 3.08Å; S1305-N1310 PolarHBondContact O-OD1 2.95Å; S1305-K1311 PolarHBondContact O-N 3.31Å; S1305-K1311 VanDerWaalsContact O-N 3.16Å; S1305-D1474 WeakPolarHBondContact CB-OD1 3.27Å; S1305-D1474 PolarHBondContact OG-OD1 3.45Å | ||
| 1306 | E | 94.8 | Very high | 95.4 | Very high | 145 Ų | 145 | 31.6 Ų | 31.6 | 68% | 0.678 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -40.1 | 166.8 | -69.8 | -176.5 | -178.2 | 0 | 0 | 110.8 | A1308 G1309 K1311 | E1306-A1308 PolarHBondContact O-N 3.1Å; E1306-G1309 PolarHBondContact O-N 3.05Å; E1306-G1309 VanDerWaalsContact O-N 3.08Å; E1306-K1311 HydrophobicContact CG-CB 4.3Å; E1306-K1311 HydrophobicContact CG-CD 3.43Å; E1306-K1311 VanDerWaalsContact CG-CD 3.43Å; E1306-K1311 IonicContact OE1-NZ 2.91Å; E1306-K1311 PolarHBondContact OE1-NZ 2.69Å |
| 1307 | K | 96.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 31.8 Ų | 31.8 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -40.1 | -176.7 | 179.1 | 175.1 | 164.4 | -160.2 | 0 | 112.9 | S1305 G1309 D1474 | S1305-K1307 VanDerWaalsContact C-N 3.31Å; S1305-K1307 PolarHBondContact OG-N 3.35Å; K1307-G1309 VanDerWaalsContact C-N 3.32Å; K1307-D1474 WeakPolarHBondContact CD-O 3.47Å; K1307-D1474 WeakPolarHBondContact CE-O 3.42Å; K1307-D1474 PolarHBondContact NZ-O 3.21Å |
| 1308 | A | 96.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 32 Ų | 32 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1305 E1306 N1310 P1478 A1481 | S1305-A1308 PolarHBondContact OG-N 3.01Å; E1306-A1308 PolarHBondContact O-N 3.1Å; A1308-N1310 VanDerWaalsContact C-N 3.33Å; A1308-N1310 PolarHBondContact O-N 2.77Å; A1308-P1478 HydrophobicContact CB-CB 4.35Å; A1308-A1481 HydrophobicContact CB-CB 3.38Å |
| 1309 | G | 95.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 32 Ų | 32 | 63% | 0.629 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 22.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1305 E1306 K1307 | S1305-G1309 PolarHBondContact O-N 2.87Å; E1306-G1309 PolarHBondContact O-N 3.05Å; E1306-G1309 VanDerWaalsContact O-N 3.08Å; K1307-G1309 VanDerWaalsContact C-N 3.32Å |
| 1310 | N | 95.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | trans | -103.2 | -4 | -179.7 | 73.6 | 11.4 | 0 | 0 | 0 | 113.8 | G1303 S1304 S1305 A1308 G1312 T1313 P1478 A1481 F1484 | G1303-N1310 CarbonylContact C-O 3.58Å; G1303-N1310 WeakPolarHBondContact CA-O 3.43Å; S1304-N1310 PolarHBondContact N-OD1 2.89Å; S1305-N1310 WeakPolarHBondContact CA-OD1 3.46Å; S1305-N1310 VanDerWaalsContact CB-OD1 3.25Å; S1305-N1310 WeakPolarHBondContact CB-OD1 3.46Å; S1305-N1310 PolarHBondContact N-OD1 2.79Å; S1305-N1310 PolarHBondContact O-N 3.11Å; S1305-N1310 VanDerWaalsContact O-N 3.08Å; S1305-N1310 PolarHBondContact O-OD1 2.95Å; A1308-N1310 VanDerWaalsContact C-N 3.33Å; A1308-N1310 PolarHBondContact O-N 2.77Å; N1310-G1312 PolarHBondContact O-N 3.34Å; N1310-T1313 WeakPolarHBondContact O-CB 3.45Å; N1310-T1313 PolarHBondContact O-N 3.31Å; N1310-P1478 HydrophobicContact CB-CB 4.32Å; N1310-P1478 PolarHBondContact ND2-O 3.3Å; N1310-A1481 PolarHBondContact ND2-O 2.64Å; N1310-A1481 VanDerWaalsContact ND2-O 3.12Å; N1310-F1484 HydrophobicContact CB-CD2 3.88Å; N1310-F1484 HydrophobicContact CB-CE2 3.85Å; N1310-F1484 WeakPolarHBondContact ND2-CD2 3.36Å | ||
| 1311 | K | 95 | Very high | 95.4 | Very high | 78 Ų | 78 | 30.2 Ų | 30.2 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 129.1 | 178.6 | -176.8 | 168.2 | 176.5 | 173.4 | 0 | 112.1 | Q1268 G1303 S1305 E1306 T1313 | Q1268-K1311 VanDerWaalsContact OE1-CE 3.27Å; G1303-K1311 CarbonylContact O-C 3.54Å; G1303-K1311 WeakPolarHBondContact O-CA 3.5Å; S1305-K1311 PolarHBondContact O-N 3.31Å; S1305-K1311 VanDerWaalsContact O-N 3.16Å; E1306-K1311 HydrophobicContact CG-CB 4.3Å; E1306-K1311 HydrophobicContact CG-CD 3.43Å; E1306-K1311 VanDerWaalsContact CG-CD 3.43Å; E1306-K1311 IonicContact OE1-NZ 2.91Å; E1306-K1311 PolarHBondContact OE1-NZ 2.69Å; K1311-T1313 PolarHBondContact O-N 3.32Å |
| 1312 | G | 94.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1268 T1270 G1303 N1310 | Q1268-G1312 WeakPolarHBondContact O-CA 3.31Å; Q1268-G1312 PolarHBondContact O-N 3.21Å; T1270-G1312 WeakPolarHBondContact CG2-O 3.46Å; G1303-G1312 PolarHBondContact O-N 2.84Å; N1310-G1312 PolarHBondContact O-N 3.34Å |
| 1313 | T | 95.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 34% | 0.344 | 16% | 0.16 | S | C | . | . | trans | -99.2 | 123.1 | 171.4 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | G1303 N1310 K1311 F1484 | G1303-T1313 WeakPolarHBondContact CA-O 3.34Å; G1303-T1313 PolarHBondContact N-O 3.44Å; N1310-T1313 WeakPolarHBondContact O-CB 3.45Å; N1310-T1313 PolarHBondContact O-N 3.31Å; K1311-T1313 PolarHBondContact O-N 3.32Å; T1313-F1484 HydrophobicContact CG2-CZ 4.49Å; T1313-F1484 WeakPolarHBondContact O-CE2 3.28Å | ||
| 1314 | P | 94.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -60.8 | 137 | 169.9 | -26 | 35.7 | 0 | 0 | 0 | 112 | W1293 M1302 S1316 P1317 | W1293-P1314 VanDerWaalsContact C-CG 3.43Å; M1302-P1314 HydrophobicContact CE-CG 3.79Å; M1302-P1314 HydrophobicContact SD-CG 4.22Å; P1314-S1316 VanDerWaalsContact C-N 3.3Å; P1314-P1317 HydrophobicContact CB-CB 3.85Å; P1314-P1317 HydrophobicContact CB-CG 4.32Å; P1314-P1317 HydrophobicContact CG-CB 4.24Å |
| 1315 | A | 94.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -72.4 | -27.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1301 F1484 N1488 | K1301-A1315 HydrophobicContact CB-CB 4.1Å; K1301-A1315 HydrophobicContact CG-CB 4.39Å; K1301-A1315 WeakPolarHBondContact O-CB 3.35Å; K1301-A1315 PolarHBondContact O-N 2.84Å; A1315-F1484 VanDerWaalsContact CA-CZ 3.43Å; A1315-F1484 HydrophobicContact CB-CD1 3.9Å; A1315-F1484 HydrophobicContact CB-CD2 4.11Å; A1315-F1484 HydrophobicContact CB-CE1 3.79Å; A1315-F1484 HydrophobicContact CB-CE2 4.01Å; A1315-F1484 HydrophobicContact CB-CG 4.08Å; A1315-F1484 HydrophobicContact CB-CZ 3.85Å; A1315-F1484 WeakPolarHBondContact CB-O 2.85Å; A1315-N1488 PolarHBondContact O-ND2 3.17Å |
| 1316 | S | 94.2 | Very high | 96 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | trans | -156 | 72.9 | -176 | 44.2 | 0 | 0 | 0 | 0 | 109.6 | M1299 P1314 R1318 | M1299-S1316 WeakPolarHBondContact CB-OG 3.45Å; M1299-S1316 PolarHBondContact O-OG 3.35Å; P1314-S1316 VanDerWaalsContact C-N 3.3Å; S1316-R1318 VanDerWaalsContact C-N 3.25Å; S1316-R1318 PolarHBondContact O-N 3.25Å | ||
| 1317 | P | 94.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 5% | 0.045 | 12% | 0.117 | C | C | . | . | trans | -59.1 | -37.9 | -172.9 | 21.4 | -30.3 | 0 | 0 | 0 | 112.7 | N1294 P1314 D1319 | N1294-P1317 VanDerWaalsContact O-CA 3.29Å; N1294-P1317 WeakPolarHBondContact O-CA 3.33Å; N1294-P1317 WeakPolarHBondContact O-CB 3.37Å; P1314-P1317 HydrophobicContact CB-CB 3.85Å; P1314-P1317 HydrophobicContact CB-CG 4.32Å; P1314-P1317 HydrophobicContact CG-CB 4.24Å; P1317-D1319 PolarHBondContact O-N 3.17Å | ||
| 1318 | R | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | trans | 46.2 | 49.7 | 179.5 | -62.2 | -174.5 | 72 | -119.8 | 1.9 | 111.6 | R1191 T1297 M1299 S1316 E1324 D1405 T1406 N1421 | R1191-R1318 PolarHBondContact NH2-O 2.74Å; T1297-R1318 HydrophobicContact CG2-CB 4.14Å; T1297-R1318 PolarHBondContact OG1-NH1 2.9Å; T1297-R1318 VanDerWaalsContact OG1-NH1 3.15Å; M1299-R1318 VanDerWaalsContact SD-CD 3.55Å; S1316-R1318 VanDerWaalsContact C-N 3.25Å; S1316-R1318 PolarHBondContact O-N 3.25Å; R1318-E1324 IonicContact CZ-OE1 3.67Å; R1318-E1324 IonicContact CZ-OE2 2.65Å; R1318-E1324 IonicContact NH1-OE1 2.82Å; R1318-E1324 PolarHBondContact NH1-OE1 2.96Å; R1318-E1324 IonicContact NH1-OE2 2.76Å; R1318-E1324 IonicContact NH2-OE1 2.66Å; R1318-E1324 PolarHBondContact NH2-OE1 2.89Å; R1318-E1324 IonicContact NH2-OE2 3.11Å; R1318-E1324 PolarHBondContact NH2-OE2 2.96Å; R1318-D1405 IonicContact CZ-OD1 3.01Å; R1318-D1405 IonicContact CZ-OD2 3.83Å; R1318-D1405 IonicContact NE-OD1 2.74Å; R1318-D1405 PolarHBondContact NE-OD1 3.49Å; R1318-D1405 IonicContact NE-OD2 3.59Å; R1318-D1405 PolarHBondContact NE-OD2 2.63Å; R1318-D1405 PolarHBondContact NH2-O 3.4Å; R1318-D1405 IonicContact NH2-OD1 2.78Å; R1318-D1405 PolarHBondContact NH2-OD1 2.97Å; R1318-D1405 IonicContact NH2-OD2 2.72Å; R1318-T1406 HydrophobicContact CB-CG2 4.01Å; R1318-T1406 HydrophobicContact CG-CG2 4.37Å; R1318-N1421 PolarHBondContact NH2-ND2 2.89Å | ||
| 1319 | D | 95.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | trans | -81.3 | 170.8 | 172.8 | 64.9 | -36.4 | 0 | 0 | 0 | 111.5 | G1289 N1291 K1292 P1317 S1409 S1410 | G1289-D1319 CarbonylContact O-C 3.29Å; G1289-D1319 VanDerWaalsContact O-CA 3.27Å; G1289-D1319 WeakPolarHBondContact O-CA 2.99Å; N1291-D1319 WeakPolarHBondContact CA-OD2 3Å; K1292-D1319 PolarHBondContact N-OD2 2.83Å; P1317-D1319 PolarHBondContact O-N 3.17Å; D1319-S1409 WeakPolarHBondContact O-CA 3.45Å; D1319-S1409 VanDerWaalsContact O-CB 3.29Å; D1319-S1409 WeakPolarHBondContact O-CB 3.42Å; D1319-S1410 PolarHBondContact OD1-N 3.03Å; D1319-S1410 VanDerWaalsContact OD1-N 3.12Å; D1319-S1410 WeakPolarHBondContact OD2-CB 3.4Å; D1319-S1410 PolarHBondContact OD2-N 2.9Å; D1319-S1410 PolarHBondContact OD2-OG 2.97Å | ||
| 1320 | G | 95.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 9% | 0.093 | 5% | 0.054 | C | C | . | . | B | Isolated β-bridge | trans | 80.8 | -147.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1288 G1289 | F1288-G1320 CarbonylContact C-O 3.51Å; F1288-G1320 VanDerWaalsContact CA-O 3.3Å; F1288-G1320 WeakPolarHBondContact CA-O 3.47Å; G1289-G1320 PolarHBondContact N-O 3.05Å; G1289-G1320 PolarHBondContact O-N 2.92Å |
| 1321 | S | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 3% | 0.028 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 106.8 | -179.8 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | F1286 V1287 Y1378 T1406 Y1407 | F1286-S1321 WeakPolarHBondContact CB-OG 3.37Å; V1287-S1321 WeakPolarHBondContact O-CA 3.18Å; V1287-S1321 WeakPolarHBondContact O-CB 3.34Å; V1287-S1321 PolarHBondContact O-OG 2.97Å; S1321-Y1378 VanDerWaalsContact CB-OH 3.27Å; S1321-Y1378 WeakPolarHBondContact CB-OH 3.27Å; S1321-Y1378 PolarHBondContact O-OH 2.93Å; S1321-T1406 CarbonylContact O-C 3.57Å; S1321-T1406 WeakPolarHBondContact O-CA 3.15Å; S1321-Y1407 PolarHBondContact N-O 3.32Å; S1321-Y1407 PolarHBondContact O-N 2.93Å |
| 1322 | A | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1297 E1324 L1325 V1326 T1406 | T1297-A1322 HydrophobicContact CG2-CB 4.25Å; A1322-E1324 VanDerWaalsContact C-N 3.3Å; A1322-E1324 PolarHBondContact O-N 3.22Å; A1322-L1325 HydrophobicContact CB-CG 4.48Å; A1322-L1325 PolarHBondContact O-N 2.99Å; A1322-V1326 PolarHBondContact O-N 3.41Å; A1322-V1326 VanDerWaalsContact O-N 3.12Å; A1322-T1406 HydrophobicContact CB-CG2 4.26Å |
| 1323 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -55.7 | -41.6 | -170.6 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | L1325 V1326 G1327 F1374 Y1378 D1405 N1421 F1422 A1425 | V1323-L1325 PolarHBondContact O-N 2.97Å; V1323-V1326 PolarHBondContact O-N 2.91Å; V1323-G1327 PolarHBondContact O-N 3.13Å; V1323-F1374 HydrophobicContact CG2-CE2 4.16Å; V1323-F1374 HydrophobicContact CG2-CZ 4.04Å; V1323-Y1378 HydrophobicContact CB-CD1 4.14Å; V1323-Y1378 HydrophobicContact CB-CE1 3.78Å; V1323-Y1378 HydrophobicContact CG2-CD1 3.99Å; V1323-Y1378 HydrophobicContact CG2-CE1 4.06Å; V1323-D1405 WeakPolarHBondContact CG1-O 3.38Å; V1323-D1405 PolarHBondContact N-O 3.3Å; V1323-D1405 VanDerWaalsContact N-O 3.08Å; V1323-N1421 HydrophobicContact CG1-CB 3.85Å; V1323-F1422 HydrophobicContact CG1-CB 3.99Å; V1323-F1422 HydrophobicContact CG2-CB 3.91Å; V1323-A1425 HydrophobicContact CG2-CB 4.27Å |
| 1324 | E | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | 180 | 74.7 | -75.4 | -175.9 | 0 | 0 | 112.2 | R1318 A1322 G1327 I1328 I1424 | R1318-E1324 IonicContact CZ-OE1 3.67Å; R1318-E1324 IonicContact CZ-OE2 2.65Å; R1318-E1324 IonicContact NH1-OE1 2.82Å; R1318-E1324 PolarHBondContact NH1-OE1 2.96Å; R1318-E1324 IonicContact NH1-OE2 2.76Å; R1318-E1324 IonicContact NH2-OE1 2.66Å; R1318-E1324 PolarHBondContact NH2-OE1 2.89Å; R1318-E1324 IonicContact NH2-OE2 3.11Å; R1318-E1324 PolarHBondContact NH2-OE2 2.96Å; A1322-E1324 VanDerWaalsContact C-N 3.3Å; A1322-E1324 PolarHBondContact O-N 3.22Å; E1324-G1327 PolarHBondContact O-N 3.13Å; E1324-I1328 WeakPolarHBondContact O-CD1 3.45Å; E1324-I1328 WeakPolarHBondContact O-CG1 3.25Å; E1324-I1328 PolarHBondContact O-N 2.9Å; E1324-I1424 HydrophobicContact CB-CB 3.93Å; E1324-I1424 HydrophobicContact CB-CD1 4Å; E1324-I1424 HydrophobicContact CB-CG2 3.94Å; E1324-I1424 HydrophobicContact CG-CD1 4.35Å |
| 1325 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -74.2 | -33.2 | 178.4 | -59.7 | -162.1 | 0 | 0 | 0 | 112.1 | R1191 D1192 W1195 V1287 A1322 V1323 G1327 I1328 S1329 | R1191-L1325 HydrophobicContact CG-CD1 4.08Å; D1192-L1325 HydrophobicContact CB-CD1 4.02Å; D1192-L1325 HydrophobicContact CB-CD2 3.66Å; D1192-L1325 HydrophobicContact CB-CG 4.41Å; W1195-L1325 HydrophobicContact CB-CD2 4.28Å; V1287-L1325 HydrophobicContact CG2-CB 3.83Å; V1287-L1325 WeakPolarHBondContact CG2-O 3.17Å; A1322-L1325 HydrophobicContact CB-CG 4.48Å; A1322-L1325 PolarHBondContact O-N 2.99Å; V1323-L1325 PolarHBondContact O-N 2.97Å; L1325-G1327 VanDerWaalsContact C-N 3.35Å; L1325-I1328 HydrophobicContact CD2-CD1 4.05Å; L1325-I1328 PolarHBondContact O-N 3.33Å; L1325-S1329 VanDerWaalsContact O-CB 3.25Å; L1325-S1329 WeakPolarHBondContact O-CB 3.2Å; L1325-S1329 PolarHBondContact O-N 3.49Å; L1325-S1329 PolarHBondContact O-OG 2.86Å |
| 1326 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 171.1 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | F1286 A1322 V1323 I1328 S1329 F1330 I1370 F1374 Y1378 M1432 | F1286-V1326 HydrophobicContact CB-CG2 3.97Å; F1286-V1326 HydrophobicContact CD1-CG1 3.44Å; F1286-V1326 VanDerWaalsContact CD1-CG1 3.44Å; F1286-V1326 HydrophobicContact CD1-CG2 4.26Å; F1286-V1326 HydrophobicContact CE1-CG1 3.85Å; F1286-V1326 HydrophobicContact CG-CG1 4.09Å; F1286-V1326 HydrophobicContact CG-CG2 4.07Å; A1322-V1326 PolarHBondContact O-N 3.41Å; A1322-V1326 VanDerWaalsContact O-N 3.12Å; V1323-V1326 PolarHBondContact O-N 2.91Å; V1326-I1328 PolarHBondContact O-N 2.97Å; V1326-S1329 PolarHBondContact O-N 3.47Å; V1326-S1329 PolarHBondContact O-OG 3.41Å; V1326-F1330 PolarHBondContact O-N 3.49Å; V1326-I1370 HydrophobicContact CG1-CG2 3.68Å; V1326-F1374 HydrophobicContact CG1-CD2 4.12Å; V1326-F1374 HydrophobicContact CG1-CE2 4.46Å; V1326-Y1378 HydrophobicContact CG2-CE2 4.48Å; V1326-Y1378 WeakPolarHBondContact CG2-OH 3.19Å; V1326-M1432 HydrophobicContact CG1-CE 3.8Å |
| 1327 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.9 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1323 E1324 L1325 S1329 F1330 A1331 A1429 | V1323-G1327 PolarHBondContact O-N 3.13Å; E1324-G1327 PolarHBondContact O-N 3.13Å; L1325-G1327 VanDerWaalsContact C-N 3.35Å; G1327-S1329 PolarHBondContact O-N 3.23Å; G1327-F1330 PolarHBondContact O-N 3.09Å; G1327-A1331 PolarHBondContact O-N 3.45Å; G1327-A1429 WeakPolarHBondContact O-CB 3.48Å |
| 1328 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 177.8 | -64.5 | 161.6 | 0 | 0 | 0 | 110.9 | W1195 W1196 L1199 E1324 L1325 V1326 F1330 A1331 V1332 L1428 | W1195-I1328 HydrophobicContact CB-CB 4.34Å; W1195-I1328 HydrophobicContact CB-CG2 3.74Å; W1195-I1328 WeakPolarHBondContact O-CG2 3.49Å; W1196-I1328 HydrophobicContact CD2-CD1 3.82Å; W1196-I1328 HydrophobicContact CE3-CD1 4.01Å; W1196-I1328 HydrophobicContact CH2-CD1 3.91Å; W1196-I1328 HydrophobicContact CZ2-CD1 3.7Å; W1196-I1328 HydrophobicContact CZ3-CD1 4.04Å; L1199-I1328 HydrophobicContact CB-CG2 4Å; L1199-I1328 HydrophobicContact CD2-CG1 4.38Å; L1199-I1328 HydrophobicContact CD2-CG2 4.47Å; E1324-I1328 WeakPolarHBondContact O-CD1 3.45Å; E1324-I1328 WeakPolarHBondContact O-CG1 3.25Å; E1324-I1328 PolarHBondContact O-N 2.9Å; L1325-I1328 HydrophobicContact CD2-CD1 4.05Å; L1325-I1328 PolarHBondContact O-N 3.33Å; V1326-I1328 PolarHBondContact O-N 2.97Å; I1328-F1330 VanDerWaalsContact C-N 3.31Å; I1328-F1330 PolarHBondContact O-N 3.45Å; I1328-A1331 PolarHBondContact O-N 3.47Å; I1328-V1332 HydrophobicContact CG2-CG2 4.23Å; I1328-V1332 WeakPolarHBondContact O-CG2 3.44Å; I1328-V1332 PolarHBondContact O-N 3.41Å; I1328-L1428 HydrophobicContact CD1-CD1 4.37Å; I1328-L1428 HydrophobicContact CG1-CD1 3.51Å |
| 1329 | S | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 179.2 | 72.3 | 0 | 0 | 0 | 0 | 111.4 | L1325 V1326 G1327 A1331 V1332 L1333 | L1325-S1329 VanDerWaalsContact O-CB 3.25Å; L1325-S1329 WeakPolarHBondContact O-CB 3.2Å; L1325-S1329 PolarHBondContact O-N 3.49Å; L1325-S1329 PolarHBondContact O-OG 2.86Å; V1326-S1329 PolarHBondContact O-N 3.47Å; V1326-S1329 PolarHBondContact O-OG 3.41Å; G1327-S1329 PolarHBondContact O-N 3.23Å; S1329-A1331 PolarHBondContact O-N 2.64Å; S1329-V1332 PolarHBondContact O-N 3Å; S1329-L1333 WeakPolarHBondContact O-CB 3.45Å; S1329-L1333 WeakPolarHBondContact O-CD1 3.35Å; S1329-L1333 WeakPolarHBondContact O-CG 3.33Å; S1329-L1333 PolarHBondContact O-N 3.2Å |
| 1330 | F | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 5% | 0.053 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.3 | 178 | -92.7 | 0 | 0 | 0 | 112.6 | V1326 G1327 I1328 V1332 L1333 S1334 K1367 I1370 V1371 A1429 E1431 M1432 | V1326-F1330 PolarHBondContact O-N 3.49Å; G1327-F1330 PolarHBondContact O-N 3.09Å; I1328-F1330 VanDerWaalsContact C-N 3.31Å; I1328-F1330 PolarHBondContact O-N 3.45Å; F1330-V1332 VanDerWaalsContact C-N 3.32Å; F1330-V1332 PolarHBondContact O-N 2.86Å; F1330-L1333 PolarHBondContact O-N 2.89Å; F1330-S1334 WeakPolarHBondContact O-CB 3.32Å; F1330-S1334 PolarHBondContact O-N 3.47Å; F1330-S1334 PolarHBondContact O-OG 3.25Å; F1330-K1367 HydrophobicContact CD2-CB 3.88Å; F1330-K1367 HydrophobicContact CE2-CB 3.79Å; F1330-K1367 HydrophobicContact CE2-CG 4.35Å; F1330-K1367 WeakPolarHBondContact CE2-O 3.48Å; F1330-I1370 HydrophobicContact CB-CG2 4.19Å; F1330-I1370 HydrophobicContact CD2-CB 4.31Å; F1330-I1370 HydrophobicContact CD2-CG2 4.22Å; F1330-V1371 HydrophobicContact CD2-CG2 3.9Å; F1330-V1371 HydrophobicContact CE2-CB 4.27Å; F1330-V1371 HydrophobicContact CE2-CG2 3.18Å; F1330-V1371 HydrophobicContact CZ-CG2 3.55Å; F1330-A1429 HydrophobicContact CD1-CB 3.65Å; F1330-A1429 HydrophobicContact CE1-CB 4.39Å; F1330-A1429 HydrophobicContact CG-CB 4.49Å; F1330-E1431 HydrophobicContact CE1-CB 4.05Å; F1330-E1431 HydrophobicContact CZ-CB 4.23Å; F1330-M1432 HydrophobicContact CB-CG 4.18Å; F1330-M1432 HydrophobicContact CB-SD 3.3Å; F1330-M1432 WeakPolarHBondContact CB-SD 3.39Å; F1330-M1432 HydrophobicContact CD1-CG 3.71Å; F1330-M1432 HydrophobicContact CD1-SD 3.78Å; F1330-M1432 HydrophobicContact CD2-CG 3.99Å; F1330-M1432 HydrophobicContact CD2-SD 4.22Å; F1330-M1432 HydrophobicContact CE1-CG 4.04Å; F1330-M1432 HydrophobicContact CE2-CG 4.33Å; F1330-M1432 HydrophobicContact CG-CG 3.66Å; F1330-M1432 HydrophobicContact CG-SD 3.49Å; F1330-M1432 WeakPolarHBondContact CG-SD 3.25Å; F1330-M1432 HydrophobicContact CZ-CG 4.33Å |
| 1331 | A | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 5% | 0.05 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1199 G1327 I1328 S1329 W1335 | L1199-A1331 HydrophobicContact CD1-CB 4.32Å; G1327-A1331 PolarHBondContact O-N 3.45Å; I1328-A1331 PolarHBondContact O-N 3.47Å; S1329-A1331 PolarHBondContact O-N 2.64Å; A1331-W1335 WeakPolarHBondContact O-CB 3.44Å; A1331-W1335 PolarHBondContact O-N 2.94Å; A1331-W1335 VanDerWaalsContact O-N 3.09Å |
| 1332 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.2 | -46.4 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L1198 I1328 S1329 F1330 S1334 W1335 L1336 | L1198-V1332 HydrophobicContact CB-CG1 4.08Å; L1198-V1332 HydrophobicContact CB-CG2 3.73Å; L1198-V1332 HydrophobicContact CD1-CG1 4.28Å; I1328-V1332 HydrophobicContact CG2-CG2 4.23Å; I1328-V1332 WeakPolarHBondContact O-CG2 3.44Å; I1328-V1332 PolarHBondContact O-N 3.41Å; S1329-V1332 PolarHBondContact O-N 3Å; F1330-V1332 VanDerWaalsContact C-N 3.32Å; F1330-V1332 PolarHBondContact O-N 2.86Å; V1332-S1334 VanDerWaalsContact C-N 3.32Å; V1332-S1334 PolarHBondContact O-N 3.36Å; V1332-W1335 HydrophobicContact CG1-CE3 4.17Å; V1332-W1335 HydrophobicContact CG1-CZ3 4.43Å; V1332-W1335 WeakPolarHBondContact O-CB 3.41Å; V1332-W1335 PolarHBondContact O-N 2.93Å; V1332-L1336 HydrophobicContact CG1-CD1 4.04Å; V1332-L1336 HydrophobicContact CG1-CG 4.49Å; V1332-L1336 WeakPolarHBondContact O-CG 3.22Å; V1332-L1336 PolarHBondContact O-N 2.93Å |
| 1333 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.7 | -67.2 | 167.1 | 0 | 0 | 0 | 111.6 | S1329 F1330 W1335 L1336 D1337 W1363 W1366 K1367 I1370 | S1329-L1333 WeakPolarHBondContact O-CB 3.45Å; S1329-L1333 WeakPolarHBondContact O-CD1 3.35Å; S1329-L1333 WeakPolarHBondContact O-CG 3.33Å; S1329-L1333 PolarHBondContact O-N 3.2Å; F1330-L1333 PolarHBondContact O-N 2.89Å; L1333-W1335 VanDerWaalsContact C-N 3.33Å; L1333-W1335 PolarHBondContact O-N 3.49Å; L1333-L1336 PolarHBondContact O-N 3.36Å; L1333-D1337 WeakPolarHBondContact O-CB 3.49Å; L1333-D1337 PolarHBondContact O-N 3.41Å; L1333-W1363 HydrophobicContact CD2-CE3 3.62Å; L1333-W1363 HydrophobicContact CD2-CZ3 3.99Å; L1333-W1366 HydrophobicContact CD1-CB 4.19Å; L1333-W1366 HydrophobicContact CD1-CD2 3.66Å; L1333-W1366 HydrophobicContact CD1-CE3 4.28Å; L1333-W1366 HydrophobicContact CD1-CG 3.62Å; L1333-W1366 HydrophobicContact CD1-CZ2 4.43Å; L1333-W1366 HydrophobicContact CD2-CB 4.41Å; L1333-W1366 HydrophobicContact CD2-CD2 3.64Å; L1333-W1366 HydrophobicContact CD2-CE3 3.36Å; L1333-W1366 HydrophobicContact CD2-CG 4.14Å; L1333-W1366 HydrophobicContact CD2-CH2 4.38Å; L1333-W1366 HydrophobicContact CD2-CZ3 3.77Å; L1333-W1366 HydrophobicContact CG-CD2 4.31Å; L1333-W1366 HydrophobicContact CG-CE3 4.45Å; L1333-K1367 HydrophobicContact CB-CB 4Å; L1333-I1370 HydrophobicContact CD1-CD1 3.62Å |
| 1334 | S | 97.5 | Very high | 97.3 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | F1330 V1332 S1338 K1367 | F1330-S1334 WeakPolarHBondContact O-CB 3.32Å; F1330-S1334 PolarHBondContact O-N 3.47Å; F1330-S1334 PolarHBondContact O-OG 3.25Å; V1332-S1334 VanDerWaalsContact C-N 3.32Å; V1332-S1334 PolarHBondContact O-N 3.36Å; S1334-S1338 PolarHBondContact O-N 3.49Å; S1334-K1367 WeakPolarHBondContact OG-CD 3.48Å |
| 1335 | W | 97.3 | Very high | 97.2 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 174.1 | 162.9 | 68 | 0 | 0 | 0 | 112.5 | I1201 K1202 T1205 L1215 A1331 V1332 L1333 S1338 L1339 | I1201-W1335 HydrophobicContact CB-CH2 4.16Å; I1201-W1335 HydrophobicContact CG2-CH2 3.53Å; I1201-W1335 HydrophobicContact CG2-CZ2 3.84Å; K1202-W1335 HydrophobicContact CB-CB 4.31Å; K1202-W1335 HydrophobicContact CB-CD2 3.69Å; K1202-W1335 HydrophobicContact CB-CE3 4.02Å; K1202-W1335 HydrophobicContact CB-CG 3.81Å; K1202-W1335 HydrophobicContact CD-CB 3.7Å; K1202-W1335 HydrophobicContact CD-CG 4.08Å; K1202-W1335 HydrophobicContact CG-CB 3.81Å; K1202-W1335 HydrophobicContact CG-CD2 4.07Å; K1202-W1335 HydrophobicContact CG-CG 3.61Å; T1205-W1335 HydrophobicContact CG2-CZ2 3.93Å; T1205-W1335 PolarHBondContact OG1-NE1 2.98Å; L1215-W1335 HydrophobicContact CD1-CZ2 4.49Å; L1215-W1335 HydrophobicContact CD2-CH2 4.13Å; L1215-W1335 HydrophobicContact CD2-CZ2 4.19Å; A1331-W1335 WeakPolarHBondContact O-CB 3.44Å; A1331-W1335 PolarHBondContact O-N 2.94Å; A1331-W1335 VanDerWaalsContact O-N 3.09Å; V1332-W1335 HydrophobicContact CG1-CE3 4.17Å; V1332-W1335 HydrophobicContact CG1-CZ3 4.43Å; V1332-W1335 WeakPolarHBondContact O-CB 3.41Å; V1332-W1335 PolarHBondContact O-N 2.93Å; L1333-W1335 VanDerWaalsContact C-N 3.33Å; L1333-W1335 PolarHBondContact O-N 3.49Å; W1335-S1338 WeakPolarHBondContact O-CB 3.32Å; W1335-S1338 PolarHBondContact O-N 3.01Å; W1335-L1339 HydrophobicContact CD2-CD1 4.28Å; W1335-L1339 HydrophobicContact CZ2-CD1 3.58Å; W1335-L1339 PolarHBondContact O-N 3.21Å |
| 1336 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 179.7 | -68.9 | 173.7 | 0 | 0 | 0 | 112.6 | L1247 V1332 L1333 S1338 L1339 Y1340 Y1345 W1363 | L1247-L1336 HydrophobicContact CD1-CD1 3.23Å; V1332-L1336 HydrophobicContact CG1-CD1 4.04Å; V1332-L1336 HydrophobicContact CG1-CG 4.49Å; V1332-L1336 WeakPolarHBondContact O-CG 3.22Å; V1332-L1336 PolarHBondContact O-N 2.93Å; L1333-L1336 PolarHBondContact O-N 3.36Å; L1336-S1338 VanDerWaalsContact C-N 3.32Å; L1336-S1338 PolarHBondContact O-N 2.84Å; L1336-L1339 PolarHBondContact O-N 3.22Å; L1336-Y1340 WeakPolarHBondContact O-CB 3.34Å; L1336-Y1340 PolarHBondContact O-N 2.89Å; L1336-Y1345 HydrophobicContact CD2-CD1 3.92Å; L1336-Y1345 HydrophobicContact CD2-CD2 4.05Å; L1336-Y1345 HydrophobicContact CD2-CE1 3.79Å; L1336-Y1345 HydrophobicContact CD2-CE2 3.95Å; L1336-Y1345 HydrophobicContact CD2-CG 4.05Å; L1336-W1363 HydrophobicContact CB-CD2 4Å; L1336-W1363 HydrophobicContact CB-CG 4.07Å; L1336-W1363 HydrophobicContact CD1-CD2 4.42Å; L1336-W1363 HydrophobicContact CD1-CE3 4.28Å; L1336-W1363 HydrophobicContact CD1-CH2 4.14Å; L1336-W1363 HydrophobicContact CD1-CZ2 4.29Å; L1336-W1363 HydrophobicContact CD1-CZ3 4.13Å |
| 1337 | D | 97.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.7 | -49 | 172.5 | -175.3 | 53.1 | 0 | 0 | 0 | 110.9 | L1333 L1339 Y1340 L1341 W1363 K1367 | L1333-D1337 WeakPolarHBondContact O-CB 3.49Å; L1333-D1337 PolarHBondContact O-N 3.41Å; D1337-L1339 PolarHBondContact O-N 3.37Å; D1337-Y1340 PolarHBondContact O-N 2.9Å; D1337-L1341 VanDerWaalsContact O-CG 3.31Å; D1337-L1341 WeakPolarHBondContact O-CG 3.49Å; D1337-L1341 PolarHBondContact O-N 2.98Å; D1337-W1363 HydrophobicContact CB-CB 3.71Å; D1337-K1367 WeakPolarHBondContact OD2-CE 3.41Å; D1337-K1367 IonicContact OD2-NZ 3.36Å; D1337-K1367 PolarHBondContact OD2-NZ 2.62Å |
| 1338 | S | 96.7 | Very high | 97 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 38% | 0.378 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.5 | -176 | 0 | 0 | 0 | 0 | 112.8 | S1334 W1335 L1336 L1341 Q1342 | S1334-S1338 PolarHBondContact O-N 3.49Å; W1335-S1338 WeakPolarHBondContact O-CB 3.32Å; W1335-S1338 PolarHBondContact O-N 3.01Å; L1336-S1338 VanDerWaalsContact C-N 3.32Å; L1336-S1338 PolarHBondContact O-N 2.84Å; S1338-L1341 PolarHBondContact O-N 3.47Å; S1338-Q1342 VanDerWaalsContact O-CG 3.26Å; S1338-Q1342 WeakPolarHBondContact O-CG 3.29Å; S1338-Q1342 PolarHBondContact O-N 2.98Å; S1338-Q1342 VanDerWaalsContact O-N 3.13Å; S1338-Q1342 PolarHBondContact O-NE2 3.49Å; S1338-Q1342 PolarHBondContact OG-NE2 3.18Å |
| 1339 | L | 96.1 | Very high | 97 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.8 | -36 | 178.7 | -72.3 | -171.9 | 0 | 0 | 0 | 113.1 | L1215 W1335 L1336 D1337 Q1342 N1343 K1344 Y1345 | L1215-L1339 HydrophobicContact CD1-CD1 3.63Å; W1335-L1339 HydrophobicContact CD2-CD1 4.28Å; W1335-L1339 HydrophobicContact CZ2-CD1 3.58Å; W1335-L1339 PolarHBondContact O-N 3.21Å; L1336-L1339 PolarHBondContact O-N 3.22Å; D1337-L1339 PolarHBondContact O-N 3.37Å; L1339-Q1342 CarbonylContact O-C 3.59Å; L1339-Q1342 PolarHBondContact O-N 3.12Å; L1339-N1343 PolarHBondContact O-N 3.35Å; L1339-K1344 HydrophobicContact CB-CB 4.31Å; L1339-K1344 HydrophobicContact CD2-CB 3.98Å; L1339-K1344 HydrophobicContact CD2-CD 3.99Å; L1339-K1344 PolarHBondContact O-N 2.9Å; L1339-Y1345 PolarHBondContact O-N 2.92Å |
| 1340 | Y | 96.7 | Very high | 97 | Very high | 96 Ų | 96 | 40.8 Ų | 40.8 | 38% | 0.376 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 175.5 | 177.1 | -106.3 | 0 | 0 | 0 | 110.6 | L1336 D1337 Q1342 N1343 Y1345 F1347 A1348 | L1336-Y1340 WeakPolarHBondContact O-CB 3.34Å; L1336-Y1340 PolarHBondContact O-N 2.89Å; D1337-Y1340 PolarHBondContact O-N 2.9Å; Y1340-Q1342 PolarHBondContact O-N 3.34Å; Y1340-N1343 PolarHBondContact O-N 3.17Å; Y1340-Y1345 WeakPolarHBondContact CD2-O 3.29Å; Y1340-F1347 WeakPolarHBondContact CD2-O 3.36Å; Y1340-A1348 HydrophobicContact CD2-CB 4.34Å; Y1340-A1348 HydrophobicContact CE1-CB 3.91Å; Y1340-A1348 HydrophobicContact CE2-CB 3.67Å; Y1340-A1348 VanDerWaalsContact CZ-CB 3.42Å |
| 1341 | L | 96.3 | Very high | 96.8 | Very high | 123 Ų | 123 | 44.8 Ų | 44.8 | 64% | 0.644 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.4 | -28 | 175.6 | -68.7 | 172.9 | 0 | 0 | 0 | 112.9 | D1337 S1338 | D1337-L1341 VanDerWaalsContact O-CG 3.31Å; D1337-L1341 WeakPolarHBondContact O-CG 3.49Å; D1337-L1341 PolarHBondContact O-N 2.98Å; S1338-L1341 PolarHBondContact O-N 3.47Å |
| 1342 | Q | 95.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.3 | 174.7 | -68.5 | 174.8 | 46.7 | 0 | 0 | 114.3 | S1338 L1339 Y1340 K1344 | S1338-Q1342 VanDerWaalsContact O-CG 3.26Å; S1338-Q1342 WeakPolarHBondContact O-CG 3.29Å; S1338-Q1342 PolarHBondContact O-N 2.98Å; S1338-Q1342 VanDerWaalsContact O-N 3.13Å; S1338-Q1342 PolarHBondContact O-NE2 3.49Å; S1338-Q1342 PolarHBondContact OG-NE2 3.18Å; L1339-Q1342 CarbonylContact O-C 3.59Å; L1339-Q1342 PolarHBondContact O-N 3.12Å; Y1340-Q1342 PolarHBondContact O-N 3.34Å; Q1342-K1344 HydrophobicContact CB-CD 4.2Å; Q1342-K1344 HydrophobicContact CB-CG 4.26Å; Q1342-K1344 PolarHBondContact O-N 3.32Å |
| 1343 | N | 95.3 | Very high | 96 | Very high | 151 Ų | 151 | 51.7 Ų | 51.7 | 81% | 0.807 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.9 | -172.8 | -59 | -68.5 | 0 | 0 | 0 | 114.3 | L1339 Y1340 | L1339-N1343 PolarHBondContact O-N 3.35Å; Y1340-N1343 PolarHBondContact O-N 3.17Å |
| 1344 | K | 94.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -99.4 | -15.5 | 177.6 | -72.2 | 176.1 | 179.1 | 164 | 0 | 113.1 | H1212 L1339 Q1342 | H1212-K1344 HydrophobicContact CB-CD 4.16Å; L1339-K1344 HydrophobicContact CB-CB 4.31Å; L1339-K1344 HydrophobicContact CD2-CB 3.98Å; L1339-K1344 HydrophobicContact CD2-CD 3.99Å; L1339-K1344 PolarHBondContact O-N 2.9Å; Q1342-K1344 HydrophobicContact CB-CD 4.2Å; Q1342-K1344 HydrophobicContact CB-CG 4.26Å; Q1342-K1344 PolarHBondContact O-N 3.32Å |
| 1345 | Y | 96.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -123.7 | 130.5 | 174 | -162.7 | -110.3 | 0 | 0 | 0 | 109.7 | L1215 H1240 V1243 Q1244 L1336 L1339 Y1340 F1347 W1363 | L1215-Y1345 HydrophobicContact CD1-CD2 4.28Å; H1240-Y1345 HydrophobicContact CB-CD2 3.97Å; H1240-Y1345 HydrophobicContact CB-CE2 3.48Å; H1240-Y1345 VanDerWaalsContact CB-CE2 3.48Å; H1240-Y1345 PolarHBondContact O-OH 3.11Å; H1240-Y1345 VanDerWaalsContact O-OH 3.07Å; V1243-Y1345 HydrophobicContact CG1-CE2 4.26Å; V1243-Y1345 WeakPolarHBondContact CG1-OH 3.4Å; Q1244-Y1345 PolarHBondContact N-OH 2.78Å; Q1244-Y1345 PolarHBondContact OE1-OH 3.42Å; L1336-Y1345 HydrophobicContact CD2-CD1 3.92Å; L1336-Y1345 HydrophobicContact CD2-CD2 4.05Å; L1336-Y1345 HydrophobicContact CD2-CE1 3.79Å; L1336-Y1345 HydrophobicContact CD2-CE2 3.95Å; L1336-Y1345 HydrophobicContact CD2-CG 4.05Å; L1339-Y1345 PolarHBondContact O-N 2.92Å; Y1340-Y1345 WeakPolarHBondContact CD2-O 3.29Å; Y1345-F1347 HydrophobicContact CD1-CB 4.23Å; Y1345-F1347 HydrophobicContact CD1-CD2 4.44Å; Y1345-F1347 HydrophobicContact CE1-CB 3.85Å; Y1345-F1347 AromaticContact CE1-CD2 3.78Å; Y1345-F1347 HydrophobicContact CE1-CD2 3.78Å; Y1345-F1347 HydrophobicContact CE1-CG 4.32Å; Y1345-F1347 AromaticContact CZ-CD2 3.84Å; Y1345-W1363 AromaticContact CE1-CZ2 3.94Å; Y1345-W1363 HydrophobicContact CE1-CZ2 3.94Å |
| 1346 | P | 96.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 67 Ų | 67 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -81.1 | -15.9 | -168.7 | 29.5 | -33.4 | 0 | 0 | 0 | 114.6 | H1240 | H1240-P1346 HydrophobicContact CB-CG 4.5Š|
| 1347 | F | 97.5 | Very high | 93.7 | Very high | 61 Ų | 61 | 70.6 Ų | 70.6 | 27% | 0.268 | 39% | 0.392 | S | S | . | . | trans | -102.4 | 136.1 | -174.7 | -53.7 | -75.2 | 0 | 0 | 0 | 111.8 | D1241 Q1244 Y1340 Y1345 W1363 | D1241-F1347 VanDerWaalsContact OD1-CZ 3.26Å; D1241-F1347 WeakPolarHBondContact OD1-CZ 3.39Å; Q1244-F1347 HydrophobicContact CB-CD2 3.54Å; Q1244-F1347 HydrophobicContact CB-CE2 3.49Å; Q1244-F1347 VanDerWaalsContact CB-CE2 3.49Å; Q1244-F1347 HydrophobicContact CB-CG 4.17Å; Q1244-F1347 HydrophobicContact CB-CZ 4.08Å; Q1244-F1347 HydrophobicContact CG-CB 4.34Å; Q1244-F1347 HydrophobicContact CG-CD1 3.91Å; Q1244-F1347 HydrophobicContact CG-CD2 3.6Å; Q1244-F1347 HydrophobicContact CG-CE1 4.07Å; Q1244-F1347 HydrophobicContact CG-CE2 3.76Å; Q1244-F1347 HydrophobicContact CG-CG 3.68Å; Q1244-F1347 HydrophobicContact CG-CZ 4Å; Q1244-F1347 VanDerWaalsContact OE1-CB 3.23Å; Y1340-F1347 WeakPolarHBondContact CD2-O 3.36Å; Y1345-F1347 HydrophobicContact CD1-CB 4.23Å; Y1345-F1347 HydrophobicContact CD1-CD2 4.44Å; Y1345-F1347 HydrophobicContact CE1-CB 3.85Å; Y1345-F1347 AromaticContact CE1-CD2 3.78Å; Y1345-F1347 HydrophobicContact CE1-CD2 3.78Å; Y1345-F1347 HydrophobicContact CE1-CG 4.32Å; Y1345-F1347 AromaticContact CZ-CD2 3.84Å; F1347-W1363 HydrophobicContact CB-CZ2 4.36Å; F1347-W1363 PolarHBondContact O-NE1 3.07Å | ||
| 1348 | A | 96.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 74.6 Ų | 74.6 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | trans | -85 | -16.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1340 F1360 D1362 W1363 | Y1340-A1348 HydrophobicContact CD2-CB 4.34Å; Y1340-A1348 HydrophobicContact CE1-CB 3.91Å; Y1340-A1348 HydrophobicContact CE2-CB 3.67Å; Y1340-A1348 VanDerWaalsContact CZ-CB 3.42Å; A1348-F1360 HydrophobicContact CB-CZ 4.22Å; A1348-D1362 VanDerWaalsContact O-CA 3.31Å; A1348-D1362 WeakPolarHBondContact O-CA 3.49Å; A1348-D1362 WeakPolarHBondContact O-CB 3.4Å; A1348-W1363 VanDerWaalsContact C-NE1 3.33Å; A1348-W1363 PolarHBondContact O-N 3.28Å | ||
| 1349 | G | 97.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 6% | 0.062 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.4 | -161.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1244 W1361 | Q1244-G1349 PolarHBondContact NE2-O 2.9Å; G1349-W1361 CarbonylContact C-O 3.58Å; G1349-W1361 VanDerWaalsContact CA-O 3.28Å; G1349-W1361 WeakPolarHBondContact CA-O 3.43Å |
| 1350 | V | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.4 | 179.7 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | L1247 F1251 F1360 W1361 W1363 W1366 | L1247-V1350 HydrophobicContact CB-CG1 4.1Å; F1251-V1350 HydrophobicContact CB-CB 3.94Å; F1251-V1350 HydrophobicContact CB-CG1 4.45Å; F1251-V1350 HydrophobicContact CB-CG2 3.78Å; F1251-V1350 HydrophobicContact CD1-CB 3.91Å; F1251-V1350 HydrophobicContact CD1-CG2 3.58Å; F1251-V1350 HydrophobicContact CD2-CG2 3.69Å; F1251-V1350 HydrophobicContact CE1-CG2 4.05Å; F1251-V1350 HydrophobicContact CE2-CG2 4.18Å; F1251-V1350 HydrophobicContact CG-CB 3.93Å; F1251-V1350 HydrophobicContact CG-CG2 3.38Å; F1251-V1350 HydrophobicContact CZ-CG2 4.33Å; V1350-F1360 WeakPolarHBondContact O-CA 3.22Å; V1350-F1360 VanDerWaalsContact O-CD2 3.31Å; V1350-F1360 WeakPolarHBondContact O-CD2 3.35Å; V1350-W1361 PolarHBondContact N-O 2.99Å; V1350-W1361 PolarHBondContact O-N 2.84Å; V1350-W1363 HydrophobicContact CG1-CH2 3.72Å; V1350-W1363 HydrophobicContact CG1-CZ3 3.79Å; V1350-W1366 HydrophobicContact CB-CZ3 4.45Å; V1350-W1366 HydrophobicContact CG1-CZ3 4.12Å; V1350-W1366 HydrophobicContact CG2-CE3 3.59Å; V1350-W1366 HydrophobicContact CG2-CZ3 3.55Å |
| 1351 | K | 95.5 | Very high | 93.3 | Very high | 95 Ų | 95 | 76 Ų | 76 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 152 | -176.5 | 64.5 | -161 | -156.4 | 133.7 | 0 | 113.1 | Q1248 E1358 I1359 F1360 | Q1248-K1351 PolarHBondContact NE2-O 3.33Å; K1351-E1358 HydrophobicContact CB-CG 3.85Å; K1351-E1358 WeakPolarHBondContact CD-OE2 3.49Å; K1351-E1358 VanDerWaalsContact CE-OE2 3.31Å; K1351-E1358 WeakPolarHBondContact CE-OE2 3.43Å; K1351-E1358 HydrophobicContact CG-CG 4.5Å; K1351-E1358 IonicContact NZ-OE1 3.75Å; K1351-E1358 IonicContact NZ-OE2 3.73Å; K1351-E1358 PolarHBondContact NZ-OE2 3.24Å; K1351-I1359 CarbonylContact C-O 3.55Å; K1351-I1359 WeakPolarHBondContact CA-O 3.32Å; K1351-F1360 HydrophobicContact CB-CD2 4.28Å |
| 1352 | K | 92.2 | Very high | 93.3 | Very high | 60 Ų | 60 | 73 Ų | 73 | 26% | 0.261 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 127.8 | 178.1 | 178.6 | 175.2 | -173.9 | 152.3 | 0 | 110.2 | F1251 E1252 M1282 S1354 I1359 | F1251-K1352 HydrophobicContact CD1-CB 3.81Å; F1251-K1352 HydrophobicContact CE1-CB 3.72Å; F1251-K1352 WeakPolarHBondContact O-CD 3.48Å; E1252-K1352 WeakPolarHBondContact O-CE 3.25Å; E1252-K1352 PolarHBondContact O-NZ 3.21Å; M1282-K1352 HydrophobicContact CE-CD 3.75Å; K1352-S1354 PolarHBondContact O-N 3.43Å; K1352-I1359 PolarHBondContact N-O 2.95Å; K1352-I1359 PolarHBondContact O-N 3.44Å |
| 1353 | P | 87.2 | Confident | 93.4 | Very high | 92 Ų | 92 | 68.6 Ų | 68.6 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 127.2 | 169.7 | -21.2 | 32.6 | 0 | 0 | 0 | 110.9 | ||
| 1354 | S | 84.9 | Confident | 93.5 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 80.3 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | K1352 K1356 S1357 | K1352-S1354 PolarHBondContact O-N 3.43Å; S1354-K1356 PolarHBondContact O-N 3.09Å; S1354-K1356 VanDerWaalsContact O-N 3.13Å; S1354-S1357 CarbonylContact C-O 3.41Å; S1354-S1357 WeakPolarHBondContact CA-O 3.37Å; S1354-S1357 PolarHBondContact N-O 3.39Å; S1354-S1357 PolarHBondContact O-N 2.94Å; S1354-S1357 VanDerWaalsContact O-N 3.15Å; S1354-S1357 PolarHBondContact O-OG 3.41Å; S1354-S1357 VanDerWaalsContact O-OG 3.11Å |
| 1355 | G | 84.6 | Confident | 93.6 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 87% | 0.866 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -110.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1356 | K | 85.4 | Confident | 93.7 | Very high | 225 Ų | 225 | 64.6 Ų | 64.6 | 98% | 0.978 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -7.4 | 176.6 | -69.5 | -173.3 | 179.6 | -179.1 | 0 | 114 | S1354 | S1354-K1356 PolarHBondContact O-N 3.09Å; S1354-K1356 VanDerWaalsContact O-N 3.13Å |
| 1357 | S | 88.4 | Confident | 93.7 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 53% | 0.531 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 168.9 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 111 | S1354 | S1354-S1357 CarbonylContact C-O 3.41Å; S1354-S1357 WeakPolarHBondContact CA-O 3.37Å; S1354-S1357 PolarHBondContact N-O 3.39Å; S1354-S1357 PolarHBondContact O-N 2.94Å; S1354-S1357 VanDerWaalsContact O-N 3.15Å; S1354-S1357 PolarHBondContact O-OG 3.41Å; S1354-S1357 VanDerWaalsContact O-OG 3.11Å |
| 1358 | E | 90.1 | Very high | 93.7 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.4 | 172.9 | -170.6 | 177.9 | 66.9 | 0 | 0 | 107.8 | K1351 | K1351-E1358 HydrophobicContact CB-CG 3.85Å; K1351-E1358 WeakPolarHBondContact CD-OE2 3.49Å; K1351-E1358 VanDerWaalsContact CE-OE2 3.31Å; K1351-E1358 WeakPolarHBondContact CE-OE2 3.43Å; K1351-E1358 HydrophobicContact CG-CG 4.5Å; K1351-E1358 IonicContact NZ-OE1 3.75Å; K1351-E1358 IonicContact NZ-OE2 3.73Å; K1351-E1358 PolarHBondContact NZ-OE2 3.24Å |
| 1359 | I | 93.5 | Very high | 93.7 | Very high | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.8 | 168.6 | -62.6 | 171.6 | 0 | 0 | 0 | 106.2 | F1251 K1351 K1352 | F1251-I1359 HydrophobicContact CE1-CG2 4.47Å; F1251-I1359 HydrophobicContact CZ-CG2 4.26Å; K1351-I1359 CarbonylContact C-O 3.55Å; K1351-I1359 WeakPolarHBondContact CA-O 3.32Å; K1352-I1359 PolarHBondContact N-O 2.95Å; K1352-I1359 PolarHBondContact O-N 3.44Å |
| 1360 | F | 96.3 | Very high | 93.7 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127 | 175.3 | 172.9 | -99 | 0 | 0 | 0 | 109.6 | A1348 V1350 K1351 D1362 | A1348-F1360 HydrophobicContact CB-CZ 4.22Å; V1350-F1360 WeakPolarHBondContact O-CA 3.22Å; V1350-F1360 VanDerWaalsContact O-CD2 3.31Å; V1350-F1360 WeakPolarHBondContact O-CD2 3.35Å; K1351-F1360 HydrophobicContact CB-CD2 4.28Å; F1360-D1362 HydrophobicContact CE1-CB 3.98Å; F1360-D1362 HydrophobicContact CZ-CB 4.2Å |
| 1361 | W | 97.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 11% | 0.106 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.9 | 169.6 | -70.2 | 0.9 | 0 | 0 | 0 | 108.6 | F1251 V1280 M1282 G1349 V1350 W1366 K1369 | F1251-W1361 HydrophobicContact CD2-CE3 4.34Å; F1251-W1361 HydrophobicContact CE2-CB 4.43Å; F1251-W1361 AromaticContact CE2-CD2 3.56Å; F1251-W1361 HydrophobicContact CE2-CD2 3.56Å; F1251-W1361 AromaticContact CE2-CE3 3.32Å; F1251-W1361 HydrophobicContact CE2-CE3 3.32Å; F1251-W1361 HydrophobicContact CE2-CG 4.08Å; F1251-W1361 HydrophobicContact CE2-CH2 4.29Å; F1251-W1361 HydrophobicContact CE2-CZ2 4.5Å; F1251-W1361 AromaticContact CE2-CZ3 3.72Å; F1251-W1361 HydrophobicContact CE2-CZ3 3.72Å; F1251-W1361 HydrophobicContact CZ-CB 4.1Å; F1251-W1361 AromaticContact CZ-CD2 3.56Å; F1251-W1361 HydrophobicContact CZ-CD2 3.56Å; F1251-W1361 AromaticContact CZ-CE2 3.98Å; F1251-W1361 AromaticContact CZ-CE3 3.86Å; F1251-W1361 HydrophobicContact CZ-CE3 3.86Å; F1251-W1361 AromaticContact CZ-CG 3.69Å; F1251-W1361 HydrophobicContact CZ-CG 3.69Å; F1251-W1361 HydrophobicContact CZ-CZ3 4.47Å; V1280-W1361 HydrophobicContact CG1-CZ3 4.15Å; M1282-W1361 WeakPolarHBondContact O-CH2 3.48Å; M1282-W1361 WeakPolarHBondContact O-CZ2 3.34Å; M1282-W1361 HydrophobicContact SD-CH2 4.32Å; M1282-W1361 HydrophobicContact SD-CZ2 4.22Å; G1349-W1361 CarbonylContact C-O 3.58Å; G1349-W1361 VanDerWaalsContact CA-O 3.28Å; G1349-W1361 WeakPolarHBondContact CA-O 3.43Å; V1350-W1361 PolarHBondContact N-O 2.99Å; V1350-W1361 PolarHBondContact O-N 2.84Å; W1361-W1366 HydrophobicContact CB-CB 4.46Å; W1361-W1366 HydrophobicContact CE3-CB 3.9Å; W1361-W1366 AromaticContact CE3-CD1 3.77Å; W1361-W1366 HydrophobicContact CE3-CD2 4.24Å; W1361-W1366 AromaticContact CE3-CG 3.69Å; W1361-W1366 HydrophobicContact CE3-CG 3.69Å; W1361-W1366 AromaticContact CZ3-CD1 3.73Å; W1361-W1366 HydrophobicContact CZ3-CG 4.14Å; W1361-K1369 HydrophobicContact CD2-CD 4.29Å; W1361-K1369 HydrophobicContact CE3-CD 4.13Å; W1361-K1369 HydrophobicContact CH2-CD 3.42Å; W1361-K1369 VanDerWaalsContact CH2-CD 3.42Å; W1361-K1369 HydrophobicContact CZ2-CD 3.58Å; W1361-K1369 VanDerWaalsContact CZ2-CE 3.44Å; W1361-K1369 HydrophobicContact CZ3-CD 3.71Å |
| 1362 | D | 97.5 | Very high | 93.7 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 33% | 0.326 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 164.5 | 163.3 | 59.8 | 39.7 | 0 | 0 | 0 | 111 | A1348 F1360 M1364 S1365 W1366 | A1348-D1362 VanDerWaalsContact O-CA 3.31Å; A1348-D1362 WeakPolarHBondContact O-CA 3.49Å; A1348-D1362 WeakPolarHBondContact O-CB 3.4Å; F1360-D1362 HydrophobicContact CE1-CB 3.98Å; F1360-D1362 HydrophobicContact CZ-CB 4.2Å; D1362-M1364 VanDerWaalsContact C-N 3.26Å; D1362-M1364 PolarHBondContact O-N 3.3Å; D1362-M1364 PolarHBondContact OD1-N 3.15Å; D1362-S1365 PolarHBondContact O-N 2.71Å; D1362-S1365 WeakPolarHBondContact OD1-CA 3.21Å; D1362-S1365 WeakPolarHBondContact OD1-CB 3.42Å; D1362-S1365 PolarHBondContact OD1-N 3.28Å; D1362-S1365 PolarHBondContact OD1-OG 2.87Å; D1362-W1366 PolarHBondContact O-N 3.46Å |
| 1363 | W | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -38.7 | -176.8 | -54 | 125 | 0 | 0 | 0 | 112.6 | L1247 L1333 L1336 D1337 Y1345 F1347 A1348 V1350 W1366 K1367 | L1247-W1363 HydrophobicContact CB-CH2 4.34Å; L1247-W1363 HydrophobicContact CB-CZ3 4.47Å; L1247-W1363 HydrophobicContact CD1-CH2 3.87Å; L1247-W1363 HydrophobicContact CD1-CZ3 4.06Å; L1333-W1363 HydrophobicContact CD2-CE3 3.62Å; L1333-W1363 HydrophobicContact CD2-CZ3 3.99Å; L1336-W1363 HydrophobicContact CB-CD2 4Å; L1336-W1363 HydrophobicContact CB-CG 4.07Å; L1336-W1363 HydrophobicContact CD1-CD2 4.42Å; L1336-W1363 HydrophobicContact CD1-CE3 4.28Å; L1336-W1363 HydrophobicContact CD1-CH2 4.14Å; L1336-W1363 HydrophobicContact CD1-CZ2 4.29Å; L1336-W1363 HydrophobicContact CD1-CZ3 4.13Å; D1337-W1363 HydrophobicContact CB-CB 3.71Å; Y1345-W1363 AromaticContact CE1-CZ2 3.94Å; Y1345-W1363 HydrophobicContact CE1-CZ2 3.94Å; F1347-W1363 HydrophobicContact CB-CZ2 4.36Å; F1347-W1363 PolarHBondContact O-NE1 3.07Å; A1348-W1363 VanDerWaalsContact C-NE1 3.33Å; A1348-W1363 PolarHBondContact O-N 3.28Å; V1350-W1363 HydrophobicContact CG1-CH2 3.72Å; V1350-W1363 HydrophobicContact CG1-CZ3 3.79Å; W1363-W1366 HydrophobicContact CE3-CE3 4.47Å; W1363-W1366 HydrophobicContact CZ3-CE3 4.33Å; W1363-W1366 HydrophobicContact CZ3-CZ3 4.27Å; W1363-K1367 WeakPolarHBondContact O-CG 3.12Å; W1363-K1367 PolarHBondContact O-N 3.46Å |
| 1364 | M | 96.8 | Very high | 94.3 | Very high | 92 Ų | 92 | 62 Ų | 62 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 176.8 | -178.7 | 63 | -178.1 | 0 | 0 | 111.9 | D1362 W1366 K1367 V1368 | D1362-M1364 VanDerWaalsContact C-N 3.26Å; D1362-M1364 PolarHBondContact O-N 3.3Å; D1362-M1364 PolarHBondContact OD1-N 3.15Å; M1364-W1366 VanDerWaalsContact C-N 3.3Å; M1364-W1366 PolarHBondContact O-N 3.4Å; M1364-K1367 VanDerWaalsContact O-CG 3.3Å; M1364-K1367 WeakPolarHBondContact O-CG 3.49Å; M1364-K1367 PolarHBondContact O-N 3.29Å; M1364-K1367 HydrophobicContact SD-CD 4.41Å; M1364-K1367 WeakPolarHBondContact SD-CE 3.26Å; M1364-K1367 HydrophobicContact SD-CG 4.49Å; M1364-V1368 HydrophobicContact CE-CG2 3.64Å; M1364-V1368 HydrophobicContact CG-CG2 4.43Å; M1364-V1368 WeakPolarHBondContact O-CB 3.43Å; M1364-V1368 VanDerWaalsContact O-CG2 3.25Å; M1364-V1368 WeakPolarHBondContact O-CG2 3.38Å; M1364-V1368 PolarHBondContact O-N 3.43Å; M1364-V1368 HydrophobicContact SD-CG2 4.05Å |
| 1365 | S | 96.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -179.9 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | D1362 K1369 | D1362-S1365 PolarHBondContact O-N 2.71Å; D1362-S1365 WeakPolarHBondContact OD1-CA 3.21Å; D1362-S1365 WeakPolarHBondContact OD1-CB 3.42Å; D1362-S1365 PolarHBondContact OD1-N 3.28Å; D1362-S1365 PolarHBondContact OD1-OG 2.87Å; S1365-K1369 WeakPolarHBondContact O-CG 3.37Å; S1365-K1369 PolarHBondContact O-N 3.06Å |
| 1366 | W | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -49.8 | 177.4 | -168.1 | -4.8 | 0 | 0 | 0 | 111.5 | F1251 V1280 G1285 L1333 V1350 W1361 D1362 W1363 M1364 V1368 K1369 I1370 | F1251-W1366 HydrophobicContact CB-CH2 4.48Å; F1251-W1366 HydrophobicContact CD2-CE3 4.49Å; F1251-W1366 HydrophobicContact CD2-CH2 4.36Å; F1251-W1366 HydrophobicContact CD2-CZ3 4.33Å; V1280-W1366 HydrophobicContact CB-CZ2 4.3Å; V1280-W1366 HydrophobicContact CG1-CZ2 3.94Å; V1280-W1366 HydrophobicContact CG2-CH2 3.89Å; V1280-W1366 HydrophobicContact CG2-CZ2 3.36Å; G1285-W1366 PolarHBondContact O-NE1 2.75Å; L1333-W1366 HydrophobicContact CD1-CB 4.19Å; L1333-W1366 HydrophobicContact CD1-CD2 3.66Å; L1333-W1366 HydrophobicContact CD1-CE3 4.28Å; L1333-W1366 HydrophobicContact CD1-CG 3.62Å; L1333-W1366 HydrophobicContact CD1-CZ2 4.43Å; L1333-W1366 HydrophobicContact CD2-CB 4.41Å; L1333-W1366 HydrophobicContact CD2-CD2 3.64Å; L1333-W1366 HydrophobicContact CD2-CE3 3.36Å; L1333-W1366 HydrophobicContact CD2-CG 4.14Å; L1333-W1366 HydrophobicContact CD2-CH2 4.38Å; L1333-W1366 HydrophobicContact CD2-CZ3 3.77Å; L1333-W1366 HydrophobicContact CG-CD2 4.31Å; L1333-W1366 HydrophobicContact CG-CE3 4.45Å; V1350-W1366 HydrophobicContact CB-CZ3 4.45Å; V1350-W1366 HydrophobicContact CG1-CZ3 4.12Å; V1350-W1366 HydrophobicContact CG2-CE3 3.59Å; V1350-W1366 HydrophobicContact CG2-CZ3 3.55Å; W1361-W1366 HydrophobicContact CB-CB 4.46Å; W1361-W1366 HydrophobicContact CE3-CB 3.9Å; W1361-W1366 AromaticContact CE3-CD1 3.77Å; W1361-W1366 HydrophobicContact CE3-CD2 4.24Å; W1361-W1366 AromaticContact CE3-CG 3.69Å; W1361-W1366 HydrophobicContact CE3-CG 3.69Å; W1361-W1366 AromaticContact CZ3-CD1 3.73Å; W1361-W1366 HydrophobicContact CZ3-CG 4.14Å; D1362-W1366 PolarHBondContact O-N 3.46Å; W1363-W1366 HydrophobicContact CE3-CE3 4.47Å; W1363-W1366 HydrophobicContact CZ3-CE3 4.33Å; W1363-W1366 HydrophobicContact CZ3-CZ3 4.27Å; M1364-W1366 VanDerWaalsContact C-N 3.3Å; M1364-W1366 PolarHBondContact O-N 3.4Å; W1366-V1368 VanDerWaalsContact C-N 3.31Å; W1366-V1368 PolarHBondContact O-N 2.67Å; W1366-K1369 WeakPolarHBondContact O-CB 3.33Å; W1366-K1369 PolarHBondContact O-N 3.06Å; W1366-I1370 PolarHBondContact O-N 3.38Å |
| 1367 | K | 96.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -35 | -179.1 | 74.3 | 177.5 | 176 | -176.7 | 0 | 112.9 | F1330 L1333 S1334 D1337 W1363 M1364 I1370 V1371 | F1330-K1367 HydrophobicContact CD2-CB 3.88Å; F1330-K1367 HydrophobicContact CE2-CB 3.79Å; F1330-K1367 HydrophobicContact CE2-CG 4.35Å; F1330-K1367 WeakPolarHBondContact CE2-O 3.48Å; L1333-K1367 HydrophobicContact CB-CB 4Å; S1334-K1367 WeakPolarHBondContact OG-CD 3.48Å; D1337-K1367 WeakPolarHBondContact OD2-CE 3.41Å; D1337-K1367 IonicContact OD2-NZ 3.36Å; D1337-K1367 PolarHBondContact OD2-NZ 2.62Å; W1363-K1367 WeakPolarHBondContact O-CG 3.12Å; W1363-K1367 PolarHBondContact O-N 3.46Å; M1364-K1367 VanDerWaalsContact O-CG 3.3Å; M1364-K1367 WeakPolarHBondContact O-CG 3.49Å; M1364-K1367 PolarHBondContact O-N 3.29Å; M1364-K1367 HydrophobicContact SD-CD 4.41Å; M1364-K1367 WeakPolarHBondContact SD-CE 3.26Å; M1364-K1367 HydrophobicContact SD-CG 4.49Å; K1367-I1370 PolarHBondContact O-N 2.64Å; K1367-V1371 PolarHBondContact O-N 3.35Å; K1367-V1371 VanDerWaalsContact O-N 3.12Å |
| 1368 | V | 97.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -43.7 | 177 | 167.7 | 0 | 0 | 0 | 0 | 111 | M1364 W1366 I1370 V1371 E1372 | M1364-V1368 HydrophobicContact CE-CG2 3.64Å; M1364-V1368 HydrophobicContact CG-CG2 4.43Å; M1364-V1368 WeakPolarHBondContact O-CB 3.43Å; M1364-V1368 VanDerWaalsContact O-CG2 3.25Å; M1364-V1368 WeakPolarHBondContact O-CG2 3.38Å; M1364-V1368 PolarHBondContact O-N 3.43Å; M1364-V1368 HydrophobicContact SD-CG2 4.05Å; W1366-V1368 VanDerWaalsContact C-N 3.31Å; W1366-V1368 PolarHBondContact O-N 2.67Å; V1368-I1370 VanDerWaalsContact C-N 3.28Å; V1368-I1370 PolarHBondContact O-N 2.73Å; V1368-V1371 PolarHBondContact O-N 3.03Å; V1368-E1372 HydrophobicContact CG1-CG 4.15Å; V1368-E1372 WeakPolarHBondContact O-CG 3.34Å; V1368-E1372 PolarHBondContact O-N 3.31Å |
| 1369 | K | 97.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 30% | 0.296 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.9 | -43.1 | 175.5 | -78.7 | 177.6 | 161.9 | -71.5 | 0 | 112.6 | T1284 W1361 S1365 W1366 A1373 | T1284-K1369 CarbonylContact O-C 3.6Å; T1284-K1369 VanDerWaalsContact O-C 3.24Å; T1284-K1369 VanDerWaalsContact O-O 3.08Å; W1361-K1369 HydrophobicContact CD2-CD 4.29Å; W1361-K1369 HydrophobicContact CE3-CD 4.13Å; W1361-K1369 HydrophobicContact CH2-CD 3.42Å; W1361-K1369 VanDerWaalsContact CH2-CD 3.42Å; W1361-K1369 HydrophobicContact CZ2-CD 3.58Å; W1361-K1369 VanDerWaalsContact CZ2-CE 3.44Å; W1361-K1369 HydrophobicContact CZ3-CD 3.71Å; S1365-K1369 WeakPolarHBondContact O-CG 3.37Å; S1365-K1369 PolarHBondContact O-N 3.06Å; W1366-K1369 WeakPolarHBondContact O-CB 3.33Å; W1366-K1369 PolarHBondContact O-N 3.06Å; K1369-A1373 VanDerWaalsContact O-CB 3.31Å; K1369-A1373 WeakPolarHBondContact O-CB 3.5Å; K1369-A1373 PolarHBondContact O-N 3.45Å; K1369-A1373 VanDerWaalsContact O-N 3.11Å |
| 1370 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -50.9 | 178.1 | -65.3 | 173.3 | 0 | 0 | 0 | 110.4 | T1284 G1285 F1286 V1326 F1330 L1333 W1366 K1367 V1368 E1372 A1373 F1374 M1432 | T1284-I1370 WeakPolarHBondContact O-CA 3.2Å; T1284-I1370 PolarHBondContact O-N 2.89Å; G1285-I1370 WeakPolarHBondContact O-CG1 3.47Å; F1286-I1370 HydrophobicContact CD1-CB 4.49Å; F1286-I1370 HydrophobicContact CD1-CG1 4.32Å; F1286-I1370 HydrophobicContact CD1-CG2 4.12Å; F1286-I1370 HydrophobicContact CE1-CG2 4.04Å; V1326-I1370 HydrophobicContact CG1-CG2 3.68Å; F1330-I1370 HydrophobicContact CB-CG2 4.19Å; F1330-I1370 HydrophobicContact CD2-CB 4.31Å; F1330-I1370 HydrophobicContact CD2-CG2 4.22Å; L1333-I1370 HydrophobicContact CD1-CD1 3.62Å; W1366-I1370 PolarHBondContact O-N 3.38Å; K1367-I1370 PolarHBondContact O-N 2.64Å; V1368-I1370 VanDerWaalsContact C-N 3.28Å; V1368-I1370 PolarHBondContact O-N 2.73Å; I1370-E1372 PolarHBondContact O-N 3.28Å; I1370-A1373 PolarHBondContact O-N 3.18Å; I1370-F1374 WeakPolarHBondContact O-CB 3.21Å; I1370-F1374 PolarHBondContact O-N 3.35Å; I1370-M1432 HydrophobicContact CG2-CE 3.89Å; I1370-M1432 HydrophobicContact CG2-SD 4.22Å |
| 1371 | V | 96.2 | Very high | 96.4 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.8 | -46.1 | -179.6 | 149.8 | 0 | 0 | 0 | 0 | 112 | F1330 K1367 V1368 A1373 F1374 M1432 | F1330-V1371 HydrophobicContact CD2-CG2 3.9Å; F1330-V1371 HydrophobicContact CE2-CB 4.27Å; F1330-V1371 HydrophobicContact CE2-CG2 3.18Å; F1330-V1371 HydrophobicContact CZ-CG2 3.55Å; K1367-V1371 PolarHBondContact O-N 3.35Å; K1367-V1371 VanDerWaalsContact O-N 3.12Å; V1368-V1371 PolarHBondContact O-N 3.03Å; V1371-A1373 VanDerWaalsContact C-N 3.26Å; V1371-A1373 PolarHBondContact O-N 2.95Å; V1371-F1374 PolarHBondContact O-N 3.47Å; V1371-M1432 HydrophobicContact CG2-CG 3.92Å |
| 1372 | E | 95.7 | Very high | 96.2 | Very high | 148 Ų | 148 | 37 Ų | 37 | 69% | 0.692 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.4 | -31.1 | -179.4 | -71.5 | -179.7 | 165.2 | 0 | 0 | 112.3 | V1368 I1370 | V1368-E1372 HydrophobicContact CG1-CG 4.15Å; V1368-E1372 WeakPolarHBondContact O-CG 3.34Å; V1368-E1372 PolarHBondContact O-N 3.31Å; I1370-E1372 PolarHBondContact O-N 3.28Å |
| 1373 | A | 96.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 38 Ų | 38 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.2 | -27.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1284 F1286 K1369 I1370 V1371 L1376 H1377 | T1284-A1373 HydrophobicContact CG2-CB 4Å; F1286-A1373 HydrophobicContact CE1-CB 3.9Å; F1286-A1373 HydrophobicContact CE2-CB 4.41Å; F1286-A1373 HydrophobicContact CZ-CB 3.6Å; K1369-A1373 VanDerWaalsContact O-CB 3.31Å; K1369-A1373 WeakPolarHBondContact O-CB 3.5Å; K1369-A1373 PolarHBondContact O-N 3.45Å; K1369-A1373 VanDerWaalsContact O-N 3.11Å; I1370-A1373 PolarHBondContact O-N 3.18Å; V1371-A1373 VanDerWaalsContact C-N 3.26Å; V1371-A1373 PolarHBondContact O-N 2.95Å; A1373-L1376 PolarHBondContact O-N 2.72Å; A1373-H1377 PolarHBondContact O-N 3.1Å; A1373-H1377 PolarHBondContact O-ND1 3.23Å |
| 1374 | F | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -59.2 | -162.8 | -175.6 | -99.8 | 0 | 0 | 0 | 114.3 | F1286 V1323 V1326 I1370 V1371 L1376 H1377 Y1378 Y1403 M1432 F1433 | F1286-F1374 HydrophobicContact CE1-CB 4.4Å; F1286-F1374 HydrophobicContact CE1-CD2 4.49Å; F1286-F1374 HydrophobicContact CZ-CB 4.46Å; V1323-F1374 HydrophobicContact CG2-CE2 4.16Å; V1323-F1374 HydrophobicContact CG2-CZ 4.04Å; V1326-F1374 HydrophobicContact CG1-CD2 4.12Å; V1326-F1374 HydrophobicContact CG1-CE2 4.46Å; I1370-F1374 WeakPolarHBondContact O-CB 3.21Å; I1370-F1374 PolarHBondContact O-N 3.35Å; V1371-F1374 PolarHBondContact O-N 3.47Å; F1374-L1376 VanDerWaalsContact C-N 3.31Å; F1374-L1376 PolarHBondContact O-N 2.78Å; F1374-H1377 PolarHBondContact O-N 3.08Å; F1374-H1377 VanDerWaalsContact O-N 3.15Å; F1374-Y1378 AromaticContact CD2-CD2 3.52Å; F1374-Y1378 HydrophobicContact CD2-CD2 3.52Å; F1374-Y1378 AromaticContact CD2-CE2 3.88Å; F1374-Y1378 HydrophobicContact CD2-CE2 3.88Å; F1374-Y1378 HydrophobicContact CD2-CG 4.23Å; F1374-Y1378 HydrophobicContact CE2-CD1 4.41Å; F1374-Y1378 AromaticContact CE2-CD2 3.5Å; F1374-Y1378 HydrophobicContact CE2-CD2 3.5Å; F1374-Y1378 VanDerWaalsContact CE2-CD2 3.5Å; F1374-Y1378 AromaticContact CE2-CE2 3.86Å; F1374-Y1378 HydrophobicContact CE2-CE2 3.86Å; F1374-Y1378 AromaticContact CE2-CG 3.8Å; F1374-Y1378 HydrophobicContact CE2-CG 3.8Å; F1374-Y1378 HydrophobicContact CG-CD2 4.31Å; F1374-Y1378 HydrophobicContact CZ-CD2 4.24Å; F1374-Y1378 HydrophobicContact CZ-CG 4.14Å; F1374-Y1378 PolarHBondContact O-N 3.44Å; F1374-Y1403 AromaticContact CE1-CD1 3.95Å; F1374-Y1403 HydrophobicContact CE1-CD1 3.95Å; F1374-Y1403 AromaticContact CE1-CE1 3.89Å; F1374-Y1403 HydrophobicContact CE1-CE1 3.89Å; F1374-Y1403 HydrophobicContact CZ-CD1 4.29Å; F1374-M1432 HydrophobicContact CB-CE 4.05Å; F1374-M1432 HydrophobicContact CD1-CB 4.07Å; F1374-M1432 HydrophobicContact CD1-CE 4.07Å; F1374-M1432 WeakPolarHBondContact CD1-O 2.96Å; F1374-M1432 HydrophobicContact CD2-CE 3.13Å; F1374-M1432 HydrophobicContact CE1-CE 4.34Å; F1374-M1432 HydrophobicContact CE2-CE 3.45Å; F1374-M1432 VanDerWaalsContact CE2-CE 3.45Å; F1374-M1432 HydrophobicContact CG-CB 4.26Å; F1374-M1432 HydrophobicContact CG-CE 3.46Å; F1374-M1432 VanDerWaalsContact CG-CE 3.46Å; F1374-M1432 HydrophobicContact CZ-CE 4.06Å; F1374-F1433 AromaticContact CE1-CD1 3.71Å; F1374-F1433 HydrophobicContact CE1-CD1 3.71Å; F1374-F1433 HydrophobicContact CE1-CD2 4.38Å; F1374-F1433 AromaticContact CE1-CE1 3.32Å; F1374-F1433 HydrophobicContact CE1-CE1 3.32Å; F1374-F1433 HydrophobicContact CE1-CE2 4.04Å; F1374-F1433 HydrophobicContact CE1-CG 4.22Å; F1374-F1433 AromaticContact CE1-CZ 3.49Å; F1374-F1433 HydrophobicContact CE1-CZ 3.49Å; F1374-F1433 VanDerWaalsContact CE1-CZ 3.49Å; F1374-F1433 HydrophobicContact CZ-CD1 4.42Å; F1374-F1433 AromaticContact CZ-CE1 3.59Å; F1374-F1433 HydrophobicContact CZ-CE1 3.59Å; F1374-F1433 HydrophobicContact CZ-CE2 4.2Å; F1374-F1433 AromaticContact CZ-CZ 3.44Å; F1374-F1433 HydrophobicContact CZ-CZ 3.44Å; F1374-F1433 VanDerWaalsContact CZ-CZ 3.44Å |
| 1375 | E | 94.2 | Very high | 94.9 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.7 | -46.2 | -178.9 | -79.4 | -69.9 | 149.1 | 0 | 0 | 111.9 | H1377 W1379 Y1403 F1433 N1434 H1437 | E1375-H1377 PolarHBondContact O-N 2.87Å; E1375-H1377 VanDerWaalsContact O-N 3.14Å; E1375-W1379 VanDerWaalsContact O-CB 3.31Å; E1375-W1379 WeakPolarHBondContact O-CB 3.34Å; E1375-W1379 PolarHBondContact O-N 3.17Å; E1375-W1379 VanDerWaalsContact O-N 3.09Å; E1375-Y1403 PolarHBondContact OE1-OH 2.84Å; E1375-F1433 WeakPolarHBondContact OE1-CA 3.47Å; E1375-N1434 PolarHBondContact OE1-N 2.74Å; E1375-H1437 IonicContact OE2-CE1 3.83Å; E1375-H1437 IonicContact OE2-CG 3.64Å; E1375-H1437 IonicContact OE2-ND1 2.71Å; E1375-H1437 PolarHBondContact OE2-ND1 3.38Å |
| 1376 | L | 94.5 | Very high | 94.4 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 43% | 0.429 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.2 | -34 | -177.9 | -176.4 | 68.5 | 0 | 0 | 0 | 112.5 | A1373 F1374 P1389 V1391 | A1373-L1376 PolarHBondContact O-N 2.72Å; F1374-L1376 VanDerWaalsContact C-N 3.31Å; F1374-L1376 PolarHBondContact O-N 2.78Å; L1376-P1389 HydrophobicContact CD1-CB 4.1Å; L1376-P1389 WeakPolarHBondContact O-CB 3.39Å; L1376-V1391 VanDerWaalsContact O-CG2 3.26Å; L1376-V1391 WeakPolarHBondContact O-CG2 3.44Å |
| 1377 | H | 95.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -97.7 | -34.3 | -172.7 | -66.4 | 92.9 | 0 | 0 | 0 | 113.5 | F1286 A1373 F1374 E1375 K1404 Y1407 | F1286-H1377 HydrophobicContact CE2-CB 4Å; F1286-H1377 HydrophobicContact CZ-CB 4.41Å; A1373-H1377 PolarHBondContact O-N 3.1Å; A1373-H1377 PolarHBondContact O-ND1 3.23Å; F1374-H1377 PolarHBondContact O-N 3.08Å; F1374-H1377 VanDerWaalsContact O-N 3.15Å; E1375-H1377 PolarHBondContact O-N 2.87Å; E1375-H1377 VanDerWaalsContact O-N 3.14Å; H1377-K1404 WeakPolarHBondContact O-CD 3.43Å; H1377-K1404 WeakPolarHBondContact O-CE 3.43Å; H1377-K1404 PolarHBondContact O-NZ 3.24Å; H1377-Y1407 HydrophobicContact CB-CD2 4.2Å; H1377-Y1407 HydrophobicContact CB-CE2 4.21Å; H1377-Y1407 HydrophobicContact CB-CG 4.4Å; H1377-Y1407 AromaticContact CD2-CE1 3.76Å; H1377-Y1407 AromaticContact CD2-CE2 3.56Å; H1377-Y1407 AromaticContact CD2-CZ 3.18Å; H1377-Y1407 PolarHBondContact CD2-OH 3.31Å; H1377-Y1407 AromaticContact CG-CZ 4Å; H1377-Y1407 AromaticContact NE2-CZ 3.93Å; H1377-Y1407 PolarHBondContact NE2-OH 3.44Å |
| 1378 | Y | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -100.3 | -29.9 | -173.3 | -76.3 | -90.5 | 0 | 0 | 0 | 114.9 | F1286 S1321 V1323 V1326 F1374 Y1403 K1404 | F1286-Y1378 HydrophobicContact CD2-CE2 4.07Å; F1286-Y1378 HydrophobicContact CE2-CD2 4.27Å; F1286-Y1378 AromaticContact CE2-CE2 3.65Å; F1286-Y1378 HydrophobicContact CE2-CE2 3.65Å; F1286-Y1378 HydrophobicContact CZ-CD2 4.32Å; F1286-Y1378 AromaticContact CZ-CE2 3.96Å; F1286-Y1378 HydrophobicContact CZ-CE2 3.96Å; S1321-Y1378 VanDerWaalsContact CB-OH 3.27Å; S1321-Y1378 WeakPolarHBondContact CB-OH 3.27Å; S1321-Y1378 PolarHBondContact O-OH 2.93Å; V1323-Y1378 HydrophobicContact CB-CD1 4.14Å; V1323-Y1378 HydrophobicContact CB-CE1 3.78Å; V1323-Y1378 HydrophobicContact CG2-CD1 3.99Å; V1323-Y1378 HydrophobicContact CG2-CE1 4.06Å; V1326-Y1378 HydrophobicContact CG2-CE2 4.48Å; V1326-Y1378 WeakPolarHBondContact CG2-OH 3.19Å; F1374-Y1378 AromaticContact CD2-CD2 3.52Å; F1374-Y1378 HydrophobicContact CD2-CD2 3.52Å; F1374-Y1378 AromaticContact CD2-CE2 3.88Å; F1374-Y1378 HydrophobicContact CD2-CE2 3.88Å; F1374-Y1378 HydrophobicContact CD2-CG 4.23Å; F1374-Y1378 HydrophobicContact CE2-CD1 4.41Å; F1374-Y1378 AromaticContact CE2-CD2 3.5Å; F1374-Y1378 HydrophobicContact CE2-CD2 3.5Å; F1374-Y1378 VanDerWaalsContact CE2-CD2 3.5Å; F1374-Y1378 AromaticContact CE2-CE2 3.86Å; F1374-Y1378 HydrophobicContact CE2-CE2 3.86Å; F1374-Y1378 AromaticContact CE2-CG 3.8Å; F1374-Y1378 HydrophobicContact CE2-CG 3.8Å; F1374-Y1378 HydrophobicContact CG-CD2 4.31Å; F1374-Y1378 HydrophobicContact CZ-CD2 4.24Å; F1374-Y1378 HydrophobicContact CZ-CG 4.14Å; F1374-Y1378 PolarHBondContact O-N 3.44Å; Y1378-Y1403 WeakPolarHBondContact O-CA 3.16Å; Y1378-K1404 HydrophobicContact CD1-CB 3.94Å; Y1378-K1404 WeakPolarHBondContact CD1-O 3.45Å; Y1378-K1404 PolarHBondContact O-N 2.83Å |
| 1379 | W | 96.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.038 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.1 | -175 | 177.3 | -122.1 | 0 | 0 | 0 | 112.4 | E1375 Y1403 H1437 I1440 A1441 | E1375-W1379 VanDerWaalsContact O-CB 3.31Å; E1375-W1379 WeakPolarHBondContact O-CB 3.34Å; E1375-W1379 PolarHBondContact O-N 3.17Å; E1375-W1379 VanDerWaalsContact O-N 3.09Å; W1379-Y1403 HydrophobicContact CB-CD1 4.4Å; W1379-Y1403 HydrophobicContact CB-CE1 4.04Å; W1379-Y1403 HydrophobicContact CE3-CD1 4.3Å; W1379-Y1403 HydrophobicContact CE3-CD2 4.06Å; W1379-Y1403 AromaticContact CE3-CE1 3.96Å; W1379-Y1403 HydrophobicContact CE3-CE1 3.96Å; W1379-Y1403 AromaticContact CE3-CE2 3.67Å; W1379-Y1403 HydrophobicContact CE3-CE2 3.67Å; W1379-Y1403 HydrophobicContact CE3-CG 4.35Å; W1379-Y1403 AromaticContact CE3-CZ 3.62Å; W1379-Y1403 HydrophobicContact CZ3-CD2 4.25Å; W1379-Y1403 AromaticContact CZ3-CE2 3.83Å; W1379-Y1403 HydrophobicContact CZ3-CE2 3.83Å; W1379-H1437 AromaticContact CD1-CE1 3.52Å; W1379-H1437 AromaticContact CD1-ND1 3.49Å; W1379-H1437 HydrophobicContact CD2-CB 3.84Å; W1379-H1437 AromaticContact CD2-CG 3.75Å; W1379-H1437 AromaticContact CD2-ND1 3.67Å; W1379-H1437 AromaticContact CE2-CD2 3.67Å; W1379-H1437 AromaticContact CE2-CE1 3.86Å; W1379-H1437 AromaticContact CE2-CG 3.4Å; W1379-H1437 AromaticContact CE2-ND1 3.54Å; W1379-H1437 AromaticContact CE2-NE2 3.96Å; W1379-H1437 HydrophobicContact CE3-CB 3.77Å; W1379-H1437 AromaticContact CG-ND1 3.65Å; W1379-H1437 HydrophobicContact CH2-CB 3.71Å; W1379-H1437 WeakPolarHBondContact CH2-O 3.48Å; W1379-H1437 HydrophobicContact CZ2-CB 3.76Å; W1379-H1437 AromaticContact CZ2-CD2 3.61Å; W1379-H1437 AromaticContact CZ2-CG 3.59Å; W1379-H1437 HydrophobicContact CZ3-CB 3.71Å; W1379-H1437 WeakPolarHBondContact CZ3-O 3.42Å; W1379-H1437 AromaticContact NE1-CD2 3.77Å; W1379-H1437 AromaticContact NE1-CE1 3.3Å; W1379-H1437 PolarHBondContact NE1-CE1 3.31Å; W1379-H1437 VanDerWaalsContact NE1-CE1 3.3Å; W1379-H1437 AromaticContact NE1-CG 3.69Å; W1379-H1437 AromaticContact NE1-ND1 3.4Å; W1379-H1437 PolarHBondContact NE1-ND1 3.28Å; W1379-H1437 AromaticContact NE1-NE2 3.55Å; W1379-I1440 HydrophobicContact CH2-CB 4.11Å; W1379-I1440 HydrophobicContact CH2-CG2 3.96Å; W1379-A1441 HydrophobicContact CZ3-CB 4.21Å |
| 1380 | I | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111.1 | 168.7 | -59.4 | -179.5 | 0 | 0 | 0 | 108.3 | I1397 R1400 G1401 I1402 K1404 Y1416 | I1380-I1397 HydrophobicContact CD1-CG1 4.35Å; I1380-I1397 HydrophobicContact CG2-CD1 3.93Å; I1380-I1397 HydrophobicContact CG2-CG1 4.35Å; I1380-I1397 HydrophobicContact CG2-CG2 4Å; I1380-R1400 HydrophobicContact CG2-CG 4.29Å; I1380-G1401 VanDerWaalsContact O-CA 3.22Å; I1380-G1401 WeakPolarHBondContact O-CA 3.41Å; I1380-G1401 PolarHBondContact O-N 2.64Å; I1380-I1402 HydrophobicContact CB-CG1 4.17Å; I1380-I1402 HydrophobicContact CD1-CD1 4.31Å; I1380-I1402 HydrophobicContact CD1-CG1 4.11Å; I1380-I1402 HydrophobicContact CG1-CG1 4.49Å; I1380-I1402 PolarHBondContact N-O 3.38Å; I1380-I1402 PolarHBondContact O-N 3.05Å; I1380-K1404 HydrophobicContact CD1-CG 3.81Å; I1380-K1404 HydrophobicContact CG1-CG 4.12Å; I1380-Y1416 HydrophobicContact CD1-CD1 3.56Å; I1380-Y1416 HydrophobicContact CD1-CE1 4.07Å |
| 1381 | P | 94.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | trans | -51.4 | 144.1 | 177.2 | -30.5 | 35.9 | 0 | 0 | 0 | 114.2 | E1386 L1388 R1400 G1401 | P1381-E1386 HydrophobicContact CB-CB 3.92Å; P1381-E1386 HydrophobicContact CB-CG 4.09Å; P1381-E1386 HydrophobicContact CG-CB 4.46Å; P1381-E1386 HydrophobicContact CG-CG 4.22Å; P1381-L1388 HydrophobicContact CG-CD2 4.46Å; P1381-R1400 WeakPolarHBondContact O-CB 3.18Å; P1381-G1401 PolarHBondContact O-N 2.66Å | ||
| 1382 | S | 91.6 | Very high | 91.1 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -71.5 | -41.4 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||
| 1383 | D | 89.9 | Confident | 90.8 | Very high | 82 Ų | 82 | 49.7 Ų | 49.7 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.4 | 138.6 | 177 | -163 | -18.9 | 0 | 0 | 0 | 110.6 | D1385 E1386 R1400 | D1383-D1385 VanDerWaalsContact C-N 3.29Å; D1383-D1385 PolarHBondContact OD1-N 2.97Å; D1383-E1386 HydrophobicContact CB-CB 4.06Å; D1383-R1400 PolarHBondContact O-NH1 3.43Å |
| 1384 | V | 87.1 | Confident | 90.4 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 58% | 0.576 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -73.6 | -27.3 | 176.1 | 84.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1385 | D | 87.8 | Confident | 90.1 | Very high | 139 Ų | 139 | 61.6 Ų | 61.6 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -88.6 | -14 | -175.8 | -64.7 | -34.1 | 0 | 0 | 0 | 112.6 | D1383 | D1383-D1385 VanDerWaalsContact C-N 3.29Å; D1383-D1385 PolarHBondContact OD1-N 2.97Å |
| 1386 | E | 87.5 | Confident | 90 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -69.7 | 132.8 | 175.2 | -170 | 176.6 | 165 | 0 | 0 | 110.9 | P1381 D1383 L1388 | P1381-E1386 HydrophobicContact CB-CB 3.92Å; P1381-E1386 HydrophobicContact CB-CG 4.09Å; P1381-E1386 HydrophobicContact CG-CB 4.46Å; P1381-E1386 HydrophobicContact CG-CG 4.22Å; D1383-E1386 HydrophobicContact CB-CB 4.06Å; E1386-L1388 PolarHBondContact O-N 3.21Å |
| 1387 | P | 86.5 | Confident | 90 | Very high | 111 Ų | 111 | 59.8 Ų | 59.8 | 72% | 0.721 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 125.2 | 179.5 | -24.1 | 32.8 | 0 | 0 | 0 | 112.1 | ||
| 1388 | L | 87.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 144.5 | 173.7 | -67.1 | 175.1 | 0 | 0 | 0 | 110.6 | P1381 E1386 T1392 A1394 I1397 | P1381-L1388 HydrophobicContact CG-CD2 4.46Å; E1386-L1388 PolarHBondContact O-N 3.21Å; L1388-T1392 HydrophobicContact CB-CG2 4.36Å; L1388-T1392 HydrophobicContact CD1-CG2 4.36Å; L1388-T1392 HydrophobicContact CD2-CG2 4.18Å; L1388-A1394 HydrophobicContact CD1-CB 3.61Å; L1388-I1397 HydrophobicContact CD1-CD1 3.85Å; L1388-I1397 HydrophobicContact CD2-CD1 3.87Å |
| 1389 | P | 84.5 | Confident | 89.6 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 143.4 | 169.2 | -27.7 | 34.8 | 0 | 0 | 0 | 111.7 | L1376 V1391 T1392 | L1376-P1389 HydrophobicContact CD1-CB 4.1Å; L1376-P1389 WeakPolarHBondContact O-CB 3.39Å; P1389-V1391 HydrophobicContact CB-CG2 4.23Å; P1389-V1391 PolarHBondContact O-N 3.13Å; P1389-T1392 VanDerWaalsContact O-CB 3.29Å; P1389-T1392 WeakPolarHBondContact O-CB 3.39Å; P1389-T1392 PolarHBondContact O-N 3.04Å |
| 1390 | P | 83.6 | Confident | 89.6 | Confident | 127 Ų | 127 | 65.5 Ų | 65.5 | 83% | 0.825 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.2 | -176.2 | -27.4 | 34.6 | 0 | 0 | 0 | 114.8 | T1392 | P1390-T1392 VanDerWaalsContact C-N 3.3Š|
| 1391 | V | 85.1 | Confident | 89.6 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3 | -179.9 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | L1376 P1389 | L1376-V1391 VanDerWaalsContact O-CG2 3.26Å; L1376-V1391 WeakPolarHBondContact O-CG2 3.44Å; P1389-V1391 HydrophobicContact CB-CG2 4.23Å; P1389-V1391 PolarHBondContact O-N 3.13Å |
| 1392 | T | 86.6 | Confident | 89.7 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.104 | 37% | 0.369 | C | S | . | . | trans | -107.6 | 131 | -173.3 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | L1388 P1389 P1390 I1397 K1404 Y1416 | L1388-T1392 HydrophobicContact CB-CG2 4.36Å; L1388-T1392 HydrophobicContact CD1-CG2 4.36Å; L1388-T1392 HydrophobicContact CD2-CG2 4.18Å; P1389-T1392 VanDerWaalsContact O-CB 3.29Å; P1389-T1392 WeakPolarHBondContact O-CB 3.39Å; P1389-T1392 PolarHBondContact O-N 3.04Å; P1390-T1392 VanDerWaalsContact C-N 3.3Å; T1392-I1397 HydrophobicContact CG2-CD1 4.26Å; T1392-K1404 PolarHBondContact OG1-NZ 3.18Å; T1392-Y1416 HydrophobicContact CG2-CE1 3.92Å | ||
| 1393 | S | 89.1 | Confident | 89.9 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | trans | -98.8 | 110.6 | 179.4 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | K1395 L1396 Y1416 | S1393-K1395 PolarHBondContact O-N 3.15Å; S1393-K1395 VanDerWaalsContact O-N 3.1Å; S1393-L1396 PolarHBondContact O-N 3.39Å; S1393-L1396 VanDerWaalsContact O-N 3.13Å; S1393-Y1416 PolarHBondContact N-OH 2.73Å | ||
| 1394 | A | 87.5 | Confident | 90.3 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -55.1 | -30.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1388 L1396 | L1388-A1394 HydrophobicContact CD1-CB 3.61Å; A1394-L1396 VanDerWaalsContact C-N 3.25Å; A1394-L1396 PolarHBondContact O-N 3.38Å |
| 1395 | K | 91.3 | Very high | 90.8 | Very high | 199 Ų | 199 | 54.5 Ų | 54.5 | 87% | 0.865 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -71.3 | -16.7 | -177 | -65.7 | -176.4 | -179.8 | 179.5 | 0 | 114.1 | S1393 | S1393-K1395 PolarHBondContact O-N 3.15Å; S1393-K1395 VanDerWaalsContact O-N 3.1Å |
| 1396 | L | 92.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -102 | -7.4 | -175.7 | -59.9 | 176.9 | 0 | 0 | 0 | 112.5 | S1393 A1394 N1398 P1412 W1413 Y1416 | S1393-L1396 PolarHBondContact O-N 3.39Å; S1393-L1396 VanDerWaalsContact O-N 3.13Å; A1394-L1396 VanDerWaalsContact C-N 3.25Å; A1394-L1396 PolarHBondContact O-N 3.38Å; L1396-N1398 PolarHBondContact O-N 3.14Å; L1396-P1412 HydrophobicContact CD1-CB 3.7Å; L1396-W1413 HydrophobicContact CD2-CB 4.35Å; L1396-Y1416 HydrophobicContact CB-CD1 4.17Å; L1396-Y1416 HydrophobicContact CB-CD2 3.55Å; L1396-Y1416 HydrophobicContact CB-CE1 4.29Å; L1396-Y1416 HydrophobicContact CB-CE2 3.73Å; L1396-Y1416 HydrophobicContact CB-CG 3.82Å; L1396-Y1416 HydrophobicContact CD1-CD2 4.14Å; L1396-Y1416 HydrophobicContact CD1-CE2 3.72Å; L1396-Y1416 HydrophobicContact CG-CD2 4.49Å; L1396-Y1416 HydrophobicContact CG-CE2 4.38Å; L1396-Y1416 WeakPolarHBondContact O-CB 3.49Å |
| 1397 | I | 93.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | trans | -74 | 116.1 | -177.5 | -57.9 | 174.4 | 0 | 0 | 0 | 109.7 | I1380 L1388 T1392 V1399 R1400 Y1416 | I1380-I1397 HydrophobicContact CD1-CG1 4.35Å; I1380-I1397 HydrophobicContact CG2-CD1 3.93Å; I1380-I1397 HydrophobicContact CG2-CG1 4.35Å; I1380-I1397 HydrophobicContact CG2-CG2 4Å; L1388-I1397 HydrophobicContact CD1-CD1 3.85Å; L1388-I1397 HydrophobicContact CD2-CD1 3.87Å; T1392-I1397 HydrophobicContact CG2-CD1 4.26Å; I1397-V1399 WeakPolarHBondContact CG2-O 3.42Å; I1397-R1400 HydrophobicContact CG2-CG 3.73Å; I1397-Y1416 HydrophobicContact CB-CD1 4.48Å; I1397-Y1416 HydrophobicContact CG1-CD1 3.76Å; I1397-Y1416 HydrophobicContact CG1-CE1 3.9Å | ||
| 1398 | N | 90.3 | Very high | 92 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -89.5 | -51.6 | 171.2 | -175.1 | 4.4 | 0 | 0 | 0 | 111.3 | L1396 K1461 | L1396-N1398 PolarHBondContact O-N 3.14Å; N1398-K1461 PolarHBondContact ND2-O 2.58Å |
| 1399 | V | 94.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -121.7 | 138.9 | 179.6 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | I1397 I1402 L1418 Q1444 T1459 K1461 | I1397-V1399 WeakPolarHBondContact CG2-O 3.42Å; V1399-I1402 HydrophobicContact CB-CD1 4.39Å; V1399-I1402 HydrophobicContact CB-CG2 4.41Å; V1399-I1402 HydrophobicContact CG1-CG2 3.95Å; V1399-I1402 VanDerWaalsContact O-CD1 3.28Å; V1399-I1402 WeakPolarHBondContact O-CD1 3.28Å; V1399-I1402 WeakPolarHBondContact O-CG1 3.36Å; V1399-L1418 HydrophobicContact CB-CB 4.36Å; V1399-L1418 HydrophobicContact CB-CD2 4.32Å; V1399-L1418 HydrophobicContact CG1-CD2 3.92Å; V1399-L1418 HydrophobicContact CG2-CB 4.38Å; V1399-L1418 HydrophobicContact CG2-CD2 4.4Å; V1399-Q1444 HydrophobicContact CG1-CG 3.94Å; V1399-Q1444 VanDerWaalsContact CG1-NE2 3.31Å; V1399-T1459 HydrophobicContact CG2-CG2 4.27Å; V1399-K1461 HydrophobicContact CG2-CD 3.98Å |
| 1400 | R | 94.8 | Very high | 92.8 | Very high | 65 Ų | 65 | 45 Ų | 45 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -101.5 | 162.2 | 178.3 | -78.5 | -176.3 | 173.8 | -99.4 | 6.1 | 111.4 | I1380 P1381 D1383 I1397 | I1380-R1400 HydrophobicContact CG2-CG 4.29Å; P1381-R1400 WeakPolarHBondContact O-CB 3.18Å; D1383-R1400 PolarHBondContact O-NH1 3.43Å; I1397-R1400 HydrophobicContact CG2-CG 3.73Å |
| 1401 | G | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 70.3 | 44.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1380 P1381 A1441 | I1380-G1401 VanDerWaalsContact O-CA 3.22Å; I1380-G1401 WeakPolarHBondContact O-CA 3.41Å; I1380-G1401 PolarHBondContact O-N 2.64Å; P1381-G1401 PolarHBondContact O-N 2.66Å; G1401-A1441 WeakPolarHBondContact O-CA 3.26Å |
| 1402 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 163.2 | -174.4 | 66.9 | 168.3 | 0 | 0 | 0 | 110.4 | I1380 V1399 L1418 Q1444 | I1380-I1402 HydrophobicContact CB-CG1 4.17Å; I1380-I1402 HydrophobicContact CD1-CD1 4.31Å; I1380-I1402 HydrophobicContact CD1-CG1 4.11Å; I1380-I1402 HydrophobicContact CG1-CG1 4.49Å; I1380-I1402 PolarHBondContact N-O 3.38Å; I1380-I1402 PolarHBondContact O-N 3.05Å; V1399-I1402 HydrophobicContact CB-CD1 4.39Å; V1399-I1402 HydrophobicContact CB-CG2 4.41Å; V1399-I1402 HydrophobicContact CG1-CG2 3.95Å; V1399-I1402 VanDerWaalsContact O-CD1 3.28Å; V1399-I1402 WeakPolarHBondContact O-CD1 3.28Å; V1399-I1402 WeakPolarHBondContact O-CG1 3.36Å; I1402-L1418 HydrophobicContact CB-CD1 4.29Å; I1402-L1418 HydrophobicContact CD1-CB 4.22Å; I1402-L1418 HydrophobicContact CG2-CD1 3.81Å; I1402-L1418 HydrophobicContact CG2-CD2 4.19Å; I1402-L1418 HydrophobicContact CG2-CG 4.42Å; I1402-Q1444 HydrophobicContact CG2-CB 4.42Å; I1402-Q1444 HydrophobicContact CG2-CG 3.84Å |
| 1403 | Y | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.7 | 159.1 | -68.7 | -90.5 | 0 | 0 | 0 | 109.4 | F1374 E1375 Y1378 W1379 F1422 F1433 H1437 A1441 | F1374-Y1403 AromaticContact CE1-CD1 3.95Å; F1374-Y1403 HydrophobicContact CE1-CD1 3.95Å; F1374-Y1403 AromaticContact CE1-CE1 3.89Å; F1374-Y1403 HydrophobicContact CE1-CE1 3.89Å; F1374-Y1403 HydrophobicContact CZ-CD1 4.29Å; E1375-Y1403 PolarHBondContact OE1-OH 2.84Å; Y1378-Y1403 WeakPolarHBondContact O-CA 3.16Å; W1379-Y1403 HydrophobicContact CB-CD1 4.4Å; W1379-Y1403 HydrophobicContact CB-CE1 4.04Å; W1379-Y1403 HydrophobicContact CE3-CD1 4.3Å; W1379-Y1403 HydrophobicContact CE3-CD2 4.06Å; W1379-Y1403 AromaticContact CE3-CE1 3.96Å; W1379-Y1403 HydrophobicContact CE3-CE1 3.96Å; W1379-Y1403 AromaticContact CE3-CE2 3.67Å; W1379-Y1403 HydrophobicContact CE3-CE2 3.67Å; W1379-Y1403 HydrophobicContact CE3-CG 4.35Å; W1379-Y1403 AromaticContact CE3-CZ 3.62Å; W1379-Y1403 HydrophobicContact CZ3-CD2 4.25Å; W1379-Y1403 AromaticContact CZ3-CE2 3.83Å; W1379-Y1403 HydrophobicContact CZ3-CE2 3.83Å; Y1403-F1422 HydrophobicContact CD2-CD2 4.01Å; Y1403-F1422 HydrophobicContact CD2-CE2 4.44Å; Y1403-F1433 HydrophobicContact CD1-CD1 4.31Å; Y1403-F1433 HydrophobicContact CD1-CE1 4.03Å; Y1403-F1433 HydrophobicContact CD2-CD1 4.34Å; Y1403-F1433 HydrophobicContact CD2-CE1 4.13Å; Y1403-F1433 AromaticContact CE1-CD1 3.75Å; Y1403-F1433 HydrophobicContact CE1-CD1 3.75Å; Y1403-F1433 AromaticContact CE1-CE1 3.94Å; Y1403-F1433 HydrophobicContact CE1-CE1 3.94Å; Y1403-F1433 AromaticContact CE2-CD1 3.79Å; Y1403-F1433 HydrophobicContact CE2-CD1 3.79Å; Y1403-F1433 HydrophobicContact CE2-CE1 4.06Å; Y1403-F1433 HydrophobicContact CG-CE1 4.12Å; Y1403-F1433 AromaticContact CZ-CD1 3.46Å; Y1403-F1433 VanDerWaalsContact CZ-CD1 3.46Å; Y1403-F1433 AromaticContact CZ-CE1 3.95Å; Y1403-H1437 HydrophobicContact CE2-CB 4.39Å; Y1403-H1437 WeakPolarHBondContact OH-CB 3.34Å; Y1403-A1441 HydrophobicContact CD2-CB 3.6Å; Y1403-A1441 HydrophobicContact CE2-CB 3.78Å |
| 1404 | K | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -54.5 | 147.3 | 173.4 | -72 | 178 | -163 | 162 | 0 | 111 | H1377 Y1378 I1380 T1392 D1415 Y1416 | H1377-K1404 WeakPolarHBondContact O-CD 3.43Å; H1377-K1404 WeakPolarHBondContact O-CE 3.43Å; H1377-K1404 PolarHBondContact O-NZ 3.24Å; Y1378-K1404 HydrophobicContact CD1-CB 3.94Å; Y1378-K1404 WeakPolarHBondContact CD1-O 3.45Å; Y1378-K1404 PolarHBondContact O-N 2.83Å; I1380-K1404 HydrophobicContact CD1-CG 3.81Å; I1380-K1404 HydrophobicContact CG1-CG 4.12Å; T1392-K1404 PolarHBondContact OG1-NZ 3.18Å; K1404-D1415 CarbonylContact C-O 3.58Å; K1404-D1415 VanDerWaalsContact CA-O 3.25Å; K1404-D1415 WeakPolarHBondContact CA-O 3.41Å; K1404-D1415 WeakPolarHBondContact CB-O 3.49Å; K1404-D1415 HydrophobicContact CD-CB 4.43Å; K1404-D1415 WeakPolarHBondContact CG-O 2.97Å; K1404-Y1416 HydrophobicContact CD-CE1 4.46Å | ||
| 1405 | D | 97.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -76.6 | -36.7 | 178 | 179.6 | 55.9 | 0 | 0 | 0 | 111.9 | R1318 V1323 D1415 R1417 R1419 N1421 | R1318-D1405 IonicContact CZ-OD1 3.01Å; R1318-D1405 IonicContact CZ-OD2 3.83Å; R1318-D1405 IonicContact NE-OD1 2.74Å; R1318-D1405 PolarHBondContact NE-OD1 3.49Å; R1318-D1405 IonicContact NE-OD2 3.59Å; R1318-D1405 PolarHBondContact NE-OD2 2.63Å; R1318-D1405 PolarHBondContact NH2-O 3.4Å; R1318-D1405 IonicContact NH2-OD1 2.78Å; R1318-D1405 PolarHBondContact NH2-OD1 2.97Å; R1318-D1405 IonicContact NH2-OD2 2.72Å; V1323-D1405 WeakPolarHBondContact CG1-O 3.38Å; V1323-D1405 PolarHBondContact N-O 3.3Å; V1323-D1405 VanDerWaalsContact N-O 3.08Å; D1405-D1415 PolarHBondContact N-O 3.04Å; D1405-R1417 WeakPolarHBondContact CB-O 3.49Å; D1405-R1419 HydrophobicContact CB-CB 4.36Å; D1405-R1419 HydrophobicContact CB-CG 4.4Å; D1405-R1419 WeakPolarHBondContact OD2-CD 3.49Å; D1405-R1419 IonicContact OD2-NE 3.56Å; D1405-N1421 WeakPolarHBondContact OD1-CB 3.31Å; D1405-N1421 PolarHBondContact OD1-ND2 3.05Å |
| 1406 | T | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 166.1 | 176.7 | 57.1 | 0 | 0 | 0 | 0 | 111 | R1318 S1321 A1322 D1415 | R1318-T1406 HydrophobicContact CB-CG2 4.01Å; R1318-T1406 HydrophobicContact CG-CG2 4.37Å; S1321-T1406 CarbonylContact O-C 3.57Å; S1321-T1406 WeakPolarHBondContact O-CA 3.15Å; A1322-T1406 HydrophobicContact CB-CG2 4.26Å; T1406-D1415 WeakPolarHBondContact O-CA 3.36Å; T1406-D1415 VanDerWaalsContact O-CB 3.24Å; T1406-D1415 WeakPolarHBondContact O-CB 3.36Å; T1406-D1415 VanDerWaalsContact O-CG 3.26Å; T1406-D1415 WeakPolarHBondContact OG1-CA 3.27Å; T1406-D1415 PolarHBondContact OG1-N 3.37Å; T1406-D1415 PolarHBondContact OG1-OD1 3.1Å |
| 1407 | Y | 96.2 | Very high | 94.6 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.3 | 171.1 | 175.3 | -115.2 | 0 | 0 | 0 | 110.5 | T1284 F1286 S1321 H1377 S1409 | T1284-Y1407 HydrophobicContact CG2-CE1 4.49Å; F1286-Y1407 AromaticContact CD2-CD1 3.94Å; F1286-Y1407 HydrophobicContact CD2-CD1 3.94Å; F1286-Y1407 HydrophobicContact CD2-CE1 4.44Å; F1286-Y1407 HydrophobicContact CE2-CD1 4.1Å; F1286-Y1407 HydrophobicContact CE2-CE1 4.44Å; S1321-Y1407 PolarHBondContact N-O 3.32Å; S1321-Y1407 PolarHBondContact O-N 2.93Å; H1377-Y1407 HydrophobicContact CB-CD2 4.2Å; H1377-Y1407 HydrophobicContact CB-CE2 4.21Å; H1377-Y1407 HydrophobicContact CB-CG 4.4Å; H1377-Y1407 AromaticContact CD2-CE1 3.76Å; H1377-Y1407 AromaticContact CD2-CE2 3.56Å; H1377-Y1407 AromaticContact CD2-CZ 3.18Å; H1377-Y1407 PolarHBondContact CD2-OH 3.31Å; H1377-Y1407 AromaticContact CG-CZ 4Å; H1377-Y1407 AromaticContact NE2-CZ 3.93Å; H1377-Y1407 PolarHBondContact NE2-OH 3.44Å; Y1407-S1409 VanDerWaalsContact C-N 3.33Å |
| 1408 | K | 94.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 30.4 Ų | 30.4 | 45% | 0.448 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 58.9 | 39.5 | -176.7 | -66 | 178.5 | 179.1 | 171.7 | 0 | 112.5 | D1281 D1415 | D1281-K1408 IonicContact OD2-NZ 3.92Å; D1281-K1408 PolarHBondContact OD2-NZ 2.96Å; K1408-D1415 PolarHBondContact N-OD2 2.82Å |
| 1409 | S | 94.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 8% | 0.077 | 13% | 0.134 | C | C | . | . | trans | -65.2 | 159.3 | 167.9 | 64 | 0 | 0 | 0 | 0 | 111.5 | D1319 Y1407 L1411 D1415 | D1319-S1409 WeakPolarHBondContact O-CA 3.45Å; D1319-S1409 VanDerWaalsContact O-CB 3.29Å; D1319-S1409 WeakPolarHBondContact O-CB 3.42Å; Y1407-S1409 VanDerWaalsContact C-N 3.33Å; S1409-L1411 PolarHBondContact O-N 3.27Å; S1409-L1411 PolarHBondContact OG-O 3.06Å; S1409-D1415 WeakPolarHBondContact CB-OD1 3.38Å; S1409-D1415 PolarHBondContact N-OD1 2.75Å; S1409-D1415 PolarHBondContact OG-OD1 2.68Å | ||
| 1410 | S | 93.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 27 Ų | 27 | 44% | 0.441 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -62.5 | -24.6 | 178 | -75.2 | 0 | 0 | 0 | 0 | 113.1 | D1319 | D1319-S1410 PolarHBondContact OD1-N 3.03Å; D1319-S1410 VanDerWaalsContact OD1-N 3.12Å; D1319-S1410 WeakPolarHBondContact OD2-CB 3.4Å; D1319-S1410 PolarHBondContact OD2-N 2.9Å; D1319-S1410 PolarHBondContact OD2-OG 2.97Å |
| 1411 | L | 90.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 24 Ų | 24 | 27% | 0.272 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -114.8 | 102 | 179.9 | -62.8 | 177.4 | 0 | 0 | 0 | 108.5 | S1409 W1413 D1414 | S1409-L1411 PolarHBondContact O-N 3.27Å; S1409-L1411 PolarHBondContact OG-O 3.06Å; L1411-W1413 HydrophobicContact CB-CD2 4.26Å; L1411-W1413 HydrophobicContact CB-CE3 4.36Å; L1411-W1413 HydrophobicContact CB-CH2 4.02Å; L1411-W1413 HydrophobicContact CB-CZ2 3.87Å; L1411-W1413 HydrophobicContact CB-CZ3 4.25Å; L1411-W1413 HydrophobicContact CD1-CH2 3.98Å; L1411-W1413 HydrophobicContact CD1-CZ2 3.61Å; L1411-W1413 HydrophobicContact CD2-CH2 3.65Å; L1411-W1413 HydrophobicContact CD2-CZ2 4.15Å; L1411-W1413 HydrophobicContact CD2-CZ3 4.11Å; L1411-W1413 HydrophobicContact CG-CH2 4.08Å; L1411-W1413 HydrophobicContact CG-CZ2 4.07Å; L1411-W1413 PolarHBondContact O-N 2.86Å; L1411-D1414 WeakPolarHBondContact O-CB 3.44Å; L1411-D1414 PolarHBondContact O-N 2.71Å |
| 1412 | P | 91.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 24 Ų | 24 | 48% | 0.481 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.5 | -167 | -30.6 | 35.4 | 0 | 0 | 0 | 116.3 | L1396 Y1416 | L1396-P1412 HydrophobicContact CD1-CB 3.7Å; P1412-Y1416 VanDerWaalsContact O-CD2 3.23Å; P1412-Y1416 WeakPolarHBondContact O-CD2 3.47Å; P1412-Y1416 WeakPolarHBondContact O-CE2 3.37Å |
| 1413 | W | 92.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 24 Ų | 24 | 43% | 0.428 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -22.7 | 177.8 | 68.7 | 74 | 0 | 0 | 0 | 113.3 | L1396 L1411 D1415 Y1416 | L1396-W1413 HydrophobicContact CD2-CB 4.35Å; L1411-W1413 HydrophobicContact CB-CD2 4.26Å; L1411-W1413 HydrophobicContact CB-CE3 4.36Å; L1411-W1413 HydrophobicContact CB-CH2 4.02Å; L1411-W1413 HydrophobicContact CB-CZ2 3.87Å; L1411-W1413 HydrophobicContact CB-CZ3 4.25Å; L1411-W1413 HydrophobicContact CD1-CH2 3.98Å; L1411-W1413 HydrophobicContact CD1-CZ2 3.61Å; L1411-W1413 HydrophobicContact CD2-CH2 3.65Å; L1411-W1413 HydrophobicContact CD2-CZ2 4.15Å; L1411-W1413 HydrophobicContact CD2-CZ3 4.11Å; L1411-W1413 HydrophobicContact CG-CH2 4.08Å; L1411-W1413 HydrophobicContact CG-CZ2 4.07Å; L1411-W1413 PolarHBondContact O-N 2.86Å; W1413-D1415 PolarHBondContact O-N 2.98Å; W1413-Y1416 PolarHBondContact O-N 2.75Å; W1413-Y1416 VanDerWaalsContact O-N 3.13Å |
| 1414 | D | 92.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.064 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -67.2 | -29.2 | -178.4 | -79.6 | -20.5 | 0 | 0 | 0 | 111.1 | L1411 Y1416 R1417 | L1411-D1414 WeakPolarHBondContact O-CB 3.44Å; L1411-D1414 PolarHBondContact O-N 2.71Å; D1414-Y1416 PolarHBondContact O-N 3.45Å; D1414-R1417 PolarHBondContact O-N 2.67Å; D1414-R1417 IonicContact OD1-CZ 2.86Å; D1414-R1417 IonicContact OD1-NE 3.55Å; D1414-R1417 PolarHBondContact OD1-NE 3.24Å; D1414-R1417 IonicContact OD1-NH1 2.72Å |
| 1415 | D | 95.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -54.3 | -39.2 | 171.4 | -72 | 11.8 | 0 | 0 | 0 | 111.5 | K1404 D1405 T1406 K1408 S1409 W1413 R1417 | K1404-D1415 CarbonylContact C-O 3.58Å; K1404-D1415 VanDerWaalsContact CA-O 3.25Å; K1404-D1415 WeakPolarHBondContact CA-O 3.41Å; K1404-D1415 WeakPolarHBondContact CB-O 3.49Å; K1404-D1415 HydrophobicContact CD-CB 4.43Å; K1404-D1415 WeakPolarHBondContact CG-O 2.97Å; D1405-D1415 PolarHBondContact N-O 3.04Å; T1406-D1415 WeakPolarHBondContact O-CA 3.36Å; T1406-D1415 VanDerWaalsContact O-CB 3.24Å; T1406-D1415 WeakPolarHBondContact O-CB 3.36Å; T1406-D1415 VanDerWaalsContact O-CG 3.26Å; T1406-D1415 WeakPolarHBondContact OG1-CA 3.27Å; T1406-D1415 PolarHBondContact OG1-N 3.37Å; T1406-D1415 PolarHBondContact OG1-OD1 3.1Å; K1408-D1415 PolarHBondContact N-OD2 2.82Å; S1409-D1415 WeakPolarHBondContact CB-OD1 3.38Å; S1409-D1415 PolarHBondContact N-OD1 2.75Å; S1409-D1415 PolarHBondContact OG-OD1 2.68Å; W1413-D1415 PolarHBondContact O-N 2.98Å; D1415-R1417 PolarHBondContact O-N 3.38Å |
| 1416 | Y | 95.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -93.4 | 9.2 | -167.6 | -64.3 | -100.9 | 0 | 0 | 0 | 114.3 | I1380 T1392 S1393 L1396 I1397 K1404 P1412 W1413 D1414 | I1380-Y1416 HydrophobicContact CD1-CD1 3.56Å; I1380-Y1416 HydrophobicContact CD1-CE1 4.07Å; T1392-Y1416 HydrophobicContact CG2-CE1 3.92Å; S1393-Y1416 PolarHBondContact N-OH 2.73Å; L1396-Y1416 HydrophobicContact CB-CD1 4.17Å; L1396-Y1416 HydrophobicContact CB-CD2 3.55Å; L1396-Y1416 HydrophobicContact CB-CE1 4.29Å; L1396-Y1416 HydrophobicContact CB-CE2 3.73Å; L1396-Y1416 HydrophobicContact CB-CG 3.82Å; L1396-Y1416 HydrophobicContact CD1-CD2 4.14Å; L1396-Y1416 HydrophobicContact CD1-CE2 3.72Å; L1396-Y1416 HydrophobicContact CG-CD2 4.49Å; L1396-Y1416 HydrophobicContact CG-CE2 4.38Å; L1396-Y1416 WeakPolarHBondContact O-CB 3.49Å; I1397-Y1416 HydrophobicContact CB-CD1 4.48Å; I1397-Y1416 HydrophobicContact CG1-CD1 3.76Å; I1397-Y1416 HydrophobicContact CG1-CE1 3.9Å; K1404-Y1416 HydrophobicContact CD-CE1 4.46Å; P1412-Y1416 VanDerWaalsContact O-CD2 3.23Å; P1412-Y1416 WeakPolarHBondContact O-CD2 3.47Å; P1412-Y1416 WeakPolarHBondContact O-CE2 3.37Å; W1413-Y1416 PolarHBondContact O-N 2.75Å; W1413-Y1416 VanDerWaalsContact O-N 3.13Å; D1414-Y1416 PolarHBondContact O-N 3.45Å |
| 1417 | R | 95.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | trans | -79.2 | 130.6 | -177.9 | -68.3 | -175.9 | 160.9 | -159.2 | -19.6 | 111.2 | D1405 D1414 D1415 R1419 L1458 D1462 S1464 | D1405-R1417 WeakPolarHBondContact CB-O 3.49Å; D1414-R1417 PolarHBondContact O-N 2.67Å; D1414-R1417 IonicContact OD1-CZ 2.86Å; D1414-R1417 IonicContact OD1-NE 3.55Å; D1414-R1417 PolarHBondContact OD1-NE 3.24Å; D1414-R1417 IonicContact OD1-NH1 2.72Å; D1415-R1417 PolarHBondContact O-N 3.38Å; R1417-R1419 HydrophobicContact CB-CG 4.28Å; R1417-R1419 PolarHBondContact O-N 2.8Å; R1417-L1458 HydrophobicContact CB-CD1 4.16Å; R1417-L1458 HydrophobicContact CG-CD1 4.48Å; R1417-D1462 IonicContact CZ-OD1 3Å; R1417-D1462 IonicContact CZ-OD2 3.85Å; R1417-D1462 IonicContact NE-OD2 2.88Å; R1417-D1462 PolarHBondContact NE-OD2 2.93Å; R1417-D1462 IonicContact NH2-OD1 2.71Å; R1417-D1462 PolarHBondContact NH2-OD1 2.86Å; R1417-D1462 IonicContact NH2-OD2 3.99Å; R1417-S1464 PolarHBondContact NH1-OG 2.92Å; R1417-S1464 PolarHBondContact NH2-OG 3.17Å | ||
| 1418 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -76 | 109.4 | 170.9 | 176.4 | 55.7 | 0 | 0 | 0 | 109.7 | V1399 I1402 F1422 Q1444 E1448 L1449 T1459 | V1399-L1418 HydrophobicContact CB-CB 4.36Å; V1399-L1418 HydrophobicContact CB-CD2 4.32Å; V1399-L1418 HydrophobicContact CG1-CD2 3.92Å; V1399-L1418 HydrophobicContact CG2-CB 4.38Å; V1399-L1418 HydrophobicContact CG2-CD2 4.4Å; I1402-L1418 HydrophobicContact CB-CD1 4.29Å; I1402-L1418 HydrophobicContact CD1-CB 4.22Å; I1402-L1418 HydrophobicContact CG2-CD1 3.81Å; I1402-L1418 HydrophobicContact CG2-CD2 4.19Å; I1402-L1418 HydrophobicContact CG2-CG 4.42Å; L1418-F1422 HydrophobicContact CD1-CE1 3.93Å; L1418-Q1444 HydrophobicContact CD2-CG 4.34Å; L1418-E1448 HydrophobicContact CD2-CB 3.72Å; L1418-E1448 HydrophobicContact CD2-CG 3.88Å; L1418-L1449 HydrophobicContact CD1-CD1 4.06Å; L1418-L1449 HydrophobicContact CD2-CG 4.47Å; L1418-L1449 HydrophobicContact CG-CD1 4Å; L1418-L1449 HydrophobicContact CG-CD2 4.27Å; L1418-L1449 HydrophobicContact CG-CG 4.18Å; L1418-T1459 HydrophobicContact CB-CG2 4.02Å; L1418-T1459 PolarHBondContact O-N 3.41Å | ||
| 1419 | R | 98 | Very high | 96.1 | Very high | 6 Ų | 6 | 19 Ų | 19 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | trans | -130.7 | 160.6 | 179.9 | -67.3 | -160.4 | 178.8 | -123.6 | -12.6 | 111.1 | M1299 D1405 R1417 N1421 F1422 T1457 L1458 H1487 N1488 | M1299-R1419 PolarHBondContact SD-NH1 3.49Å; D1405-R1419 HydrophobicContact CB-CB 4.36Å; D1405-R1419 HydrophobicContact CB-CG 4.4Å; D1405-R1419 WeakPolarHBondContact OD2-CD 3.49Å; D1405-R1419 IonicContact OD2-NE 3.56Å; R1417-R1419 HydrophobicContact CB-CG 4.28Å; R1417-R1419 PolarHBondContact O-N 2.8Å; R1419-N1421 PolarHBondContact O-N 3.16Å; R1419-F1422 WeakPolarHBondContact O-CD1 3.28Å; R1419-T1457 WeakPolarHBondContact CG-O 3.49Å; R1419-L1458 HydrophobicContact CG-CD1 4.23Å; R1419-H1487 PolarHBondContact NH1-O 3.39Å; R1419-N1488 PolarHBondContact NH2-OD1 3.01Å | ||
| 1420 | P | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 23.3 | -177.5 | 35.4 | -38.2 | 0 | 0 | 0 | 113.9 | P1423 L1449 M1455 K1456 T1457 P1495 | P1420-P1423 VanDerWaalsContact C-CD 3.48Å; P1420-P1423 WeakPolarHBondContact O-CD 3.36Å; P1420-L1449 HydrophobicContact CB-CD1 4.19Å; P1420-M1455 HydrophobicContact CB-CB 3.91Å; P1420-M1455 HydrophobicContact CB-CE 4Å; P1420-M1455 HydrophobicContact CB-CG 4.48Å; P1420-M1455 HydrophobicContact CG-CB 4.36Å; P1420-K1456 WeakPolarHBondContact CD-O 3.43Å; P1420-T1457 WeakPolarHBondContact CD-O 3.24Å; P1420-P1495 HydrophobicContact CB-CB 3.9Å; P1420-P1495 HydrophobicContact CG-CB 4.06Å; P1420-P1495 HydrophobicContact CG-CG 4.48Å |
| 1421 | N | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -37.6 | -174.5 | -64 | -43.7 | 0 | 0 | 0 | 113.5 | W1298 M1299 R1318 V1323 D1405 R1419 P1423 I1424 | W1298-N1421 PolarHBondContact NE1-OD1 2.72Å; M1299-N1421 PolarHBondContact SD-ND2 2.95Å; M1299-N1421 VanDerWaalsContact SD-ND2 3.37Å; R1318-N1421 PolarHBondContact NH2-ND2 2.89Å; V1323-N1421 HydrophobicContact CG1-CB 3.85Å; D1405-N1421 WeakPolarHBondContact OD1-CB 3.31Å; D1405-N1421 PolarHBondContact OD1-ND2 3.05Å; R1419-N1421 PolarHBondContact O-N 3.16Å; N1421-P1423 VanDerWaalsContact C-N 3.35Å; N1421-I1424 WeakPolarHBondContact O-CB 3.5Å; N1421-I1424 WeakPolarHBondContact O-CG1 2.98Å; N1421-I1424 PolarHBondContact O-N 3.48Å |
| 1422 | F | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -30.1 | 179.2 | 79.3 | -92.7 | 0 | 0 | 0 | 114.7 | V1323 Y1403 L1418 R1419 I1424 A1425 I1426 A1441 L1442 A1445 | V1323-F1422 HydrophobicContact CG1-CB 3.99Å; V1323-F1422 HydrophobicContact CG2-CB 3.91Å; Y1403-F1422 HydrophobicContact CD2-CD2 4.01Å; Y1403-F1422 HydrophobicContact CD2-CE2 4.44Å; L1418-F1422 HydrophobicContact CD1-CE1 3.93Å; R1419-F1422 WeakPolarHBondContact O-CD1 3.28Å; F1422-I1424 PolarHBondContact O-N 3.44Å; F1422-A1425 PolarHBondContact O-N 3.42Å; F1422-A1425 VanDerWaalsContact O-N 3.09Å; F1422-I1426 HydrophobicContact CD2-CD1 3.62Å; F1422-I1426 HydrophobicContact CD2-CG1 4.43Å; F1422-I1426 HydrophobicContact CE2-CD1 3.76Å; F1422-I1426 PolarHBondContact O-N 2.67Å; F1422-I1426 VanDerWaalsContact O-N 3.11Å; F1422-A1441 HydrophobicContact CD2-CB 4.35Å; F1422-A1441 HydrophobicContact CE2-CB 3.56Å; F1422-A1441 HydrophobicContact CZ-CB 3.87Å; F1422-A1441 WeakPolarHBondContact CZ-O 3.34Å; F1422-L1442 HydrophobicContact CE2-CD2 4.21Å; F1422-A1445 HydrophobicContact CE1-CB 4.09Å; F1422-A1445 HydrophobicContact CZ-CB 3.74Å |
| 1423 | P | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.9 | -28.5 | 173 | -23.3 | 35.4 | 0 | 0 | 0 | 112.8 | P1420 N1421 I1426 A1427 L1442 F1499 A1502 | P1420-P1423 VanDerWaalsContact C-CD 3.48Å; P1420-P1423 WeakPolarHBondContact O-CD 3.36Å; N1421-P1423 VanDerWaalsContact C-N 3.35Å; P1423-I1426 PolarHBondContact O-N 2.83Å; P1423-A1427 WeakPolarHBondContact O-CB 3.08Å; P1423-A1427 PolarHBondContact O-N 3.16Å; P1423-L1442 HydrophobicContact CB-CD2 4.03Å; P1423-L1442 HydrophobicContact CG-CD2 4.15Å; P1423-F1499 HydrophobicContact CB-CB 4.39Å; P1423-F1499 HydrophobicContact CG-CD2 4.33Å; P1423-A1502 HydrophobicContact CB-CB 3.94Å; P1423-A1502 WeakPolarHBondContact O-CB 3.34Å |
| 1424 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 173.9 | -56.9 | 164.6 | 0 | 0 | 0 | 109.6 | W1196 E1324 N1421 F1422 I1426 A1427 L1428 W1494 Y1498 | W1196-I1424 HydrophobicContact CH2-CG2 3.61Å; W1196-I1424 HydrophobicContact CZ2-CG2 4.18Å; E1324-I1424 HydrophobicContact CB-CB 3.93Å; E1324-I1424 HydrophobicContact CB-CD1 4Å; E1324-I1424 HydrophobicContact CB-CG2 3.94Å; E1324-I1424 HydrophobicContact CG-CD1 4.35Å; N1421-I1424 WeakPolarHBondContact O-CB 3.5Å; N1421-I1424 WeakPolarHBondContact O-CG1 2.98Å; N1421-I1424 PolarHBondContact O-N 3.48Å; F1422-I1424 PolarHBondContact O-N 3.44Å; I1424-I1426 VanDerWaalsContact C-N 3.34Å; I1424-I1426 PolarHBondContact O-N 2.94Å; I1424-A1427 PolarHBondContact O-N 2.75Å; I1424-L1428 HydrophobicContact CG2-CD1 3.69Å; I1424-L1428 HydrophobicContact CG2-CG 4.35Å; I1424-L1428 WeakPolarHBondContact O-CB 3.11Å; I1424-L1428 WeakPolarHBondContact O-CG 3.49Å; I1424-L1428 PolarHBondContact O-N 2.96Å; I1424-L1428 VanDerWaalsContact O-N 3.12Å; I1424-W1494 HydrophobicContact CD1-CH2 3.37Å; I1424-W1494 HydrophobicContact CD1-CZ2 4.45Å; I1424-W1494 HydrophobicContact CD1-CZ3 3.62Å; I1424-W1494 HydrophobicContact CG1-CH2 4.37Å; I1424-W1494 HydrophobicContact CG1-CZ3 4.14Å; I1424-Y1498 HydrophobicContact CB-CD1 4.16Å; I1424-Y1498 HydrophobicContact CB-CG 4.37Å; I1424-Y1498 HydrophobicContact CG1-CD1 4.13Å; I1424-Y1498 HydrophobicContact CG1-CD2 4.34Å; I1424-Y1498 HydrophobicContact CG1-CG 3.82Å; I1424-Y1498 HydrophobicContact CG2-CD1 3.91Å; I1424-Y1498 HydrophobicContact CG2-CE1 4.01Å; I1424-Y1498 HydrophobicContact CG2-CG 4.41Å |
| 1425 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1323 F1422 A1427 L1428 A1429 F1433 | V1323-A1425 HydrophobicContact CG2-CB 4.27Å; F1422-A1425 PolarHBondContact O-N 3.42Å; F1422-A1425 VanDerWaalsContact O-N 3.09Å; A1425-A1427 PolarHBondContact O-N 3.13Å; A1425-L1428 PolarHBondContact O-N 3.03Å; A1425-A1429 CarbonylContact O-C 3.48Å; A1425-A1429 PolarHBondContact O-N 3.38Å; A1425-F1433 HydrophobicContact CB-CE2 3.99Å; A1425-F1433 HydrophobicContact CB-CZ 3.64Å |
| 1426 | I | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.7 | -65 | 172.5 | 0 | 0 | 0 | 111.4 | F1422 P1423 I1424 L1428 P1430 F1433 A1438 L1442 A1502 V1506 | F1422-I1426 HydrophobicContact CD2-CD1 3.62Å; F1422-I1426 HydrophobicContact CD2-CG1 4.43Å; F1422-I1426 HydrophobicContact CE2-CD1 3.76Å; F1422-I1426 PolarHBondContact O-N 2.67Å; F1422-I1426 VanDerWaalsContact O-N 3.11Å; P1423-I1426 PolarHBondContact O-N 2.83Å; I1424-I1426 VanDerWaalsContact C-N 3.34Å; I1424-I1426 PolarHBondContact O-N 2.94Å; I1426-L1428 VanDerWaalsContact C-N 3.26Å; I1426-L1428 PolarHBondContact O-N 3.09Å; I1426-P1430 WeakPolarHBondContact O-CD 3.11Å; I1426-F1433 HydrophobicContact CB-CE2 4.42Å; I1426-F1433 HydrophobicContact CB-CZ 4.46Å; I1426-F1433 HydrophobicContact CD1-CD1 4.25Å; I1426-F1433 HydrophobicContact CD1-CE1 4.12Å; I1426-F1433 HydrophobicContact CG1-CD1 3.64Å; I1426-F1433 HydrophobicContact CG1-CD2 4.06Å; I1426-F1433 HydrophobicContact CG1-CE1 3.41Å; I1426-F1433 VanDerWaalsContact CG1-CE1 3.41Å; I1426-F1433 HydrophobicContact CG1-CE2 3.87Å; I1426-F1433 HydrophobicContact CG1-CG 3.98Å; I1426-F1433 HydrophobicContact CG1-CZ 3.55Å; I1426-A1438 HydrophobicContact CD1-CB 4.03Å; I1426-L1442 HydrophobicContact CD1-CD1 4.33Å; I1426-L1442 HydrophobicContact CD1-CD2 4.18Å; I1426-L1442 HydrophobicContact CD1-CG 4.05Å; I1426-L1442 HydrophobicContact CG2-CD1 4.42Å; I1426-A1502 HydrophobicContact CB-CB 3.99Å; I1426-A1502 HydrophobicContact CG2-CB 3.85Å; I1426-V1506 HydrophobicContact CG2-CG2 3.61Å |
| 1427 | A | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -31.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1423 I1424 A1425 Y1498 R1501 A1502 | P1423-A1427 WeakPolarHBondContact O-CB 3.08Å; P1423-A1427 PolarHBondContact O-N 3.16Å; I1424-A1427 PolarHBondContact O-N 2.75Å; A1425-A1427 PolarHBondContact O-N 3.13Å; A1427-Y1498 HydrophobicContact CB-CD1 4.1Å; A1427-R1501 HydrophobicContact CB-CB 3.98Å; A1427-A1502 HydrophobicContact CB-CB 4.22Å |
| 1428 | L | 97.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 20.8 Ų | 20.8 | 9% | 0.094 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -95.8 | -34.6 | -173.3 | -63.6 | -178.7 | 0 | 0 | 0 | 114.4 | W1196 L1199 Y1203 I1328 I1424 A1425 I1426 Y1498 | W1196-L1428 HydrophobicContact CH2-CD1 4.46Å; W1196-L1428 HydrophobicContact CZ3-CD1 4.31Å; L1199-L1428 HydrophobicContact CD1-CD2 4.49Å; L1199-L1428 HydrophobicContact CD2-CD1 3.72Å; L1199-L1428 HydrophobicContact CD2-CD2 3.92Å; L1199-L1428 HydrophobicContact CD2-CG 4.48Å; Y1203-L1428 WeakPolarHBondContact OH-CD2 3.41Å; I1328-L1428 HydrophobicContact CD1-CD1 4.37Å; I1328-L1428 HydrophobicContact CG1-CD1 3.51Å; I1424-L1428 HydrophobicContact CG2-CD1 3.69Å; I1424-L1428 HydrophobicContact CG2-CG 4.35Å; I1424-L1428 WeakPolarHBondContact O-CB 3.11Å; I1424-L1428 WeakPolarHBondContact O-CG 3.49Å; I1424-L1428 PolarHBondContact O-N 2.96Å; I1424-L1428 VanDerWaalsContact O-N 3.12Å; A1425-L1428 PolarHBondContact O-N 3.03Å; I1426-L1428 VanDerWaalsContact C-N 3.26Å; I1426-L1428 PolarHBondContact O-N 3.09Å; L1428-Y1498 HydrophobicContact CD1-CE1 4.44Å; L1428-Y1498 HydrophobicContact CD2-CE1 4.08Å; L1428-Y1498 HydrophobicContact CG-CE1 4.25Å |
| 1429 | A | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -142.2 | 58.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1327 F1330 A1425 E1431 M1432 F1433 | G1327-A1429 WeakPolarHBondContact O-CB 3.48Å; F1330-A1429 HydrophobicContact CD1-CB 3.65Å; F1330-A1429 HydrophobicContact CE1-CB 4.39Å; F1330-A1429 HydrophobicContact CG-CB 4.49Å; A1425-A1429 CarbonylContact O-C 3.48Å; A1425-A1429 PolarHBondContact O-N 3.38Å; A1429-E1431 VanDerWaalsContact C-OE2 3.24Å; A1429-E1431 WeakPolarHBondContact CA-OE2 3.3Å; A1429-E1431 PolarHBondContact O-N 2.72Å; A1429-E1431 VanDerWaalsContact O-N 3.07Å; A1429-M1432 HydrophobicContact CB-CG 4.31Å; A1429-M1432 HydrophobicContact CB-SD 3.72Å; A1429-M1432 PolarHBondContact O-N 2.84Å; A1429-M1432 VanDerWaalsContact O-N 3.17Å; A1429-F1433 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1430 | P | 96.4 | Very high | 97 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -61.4 | -19 | -176.6 | 28.8 | -37.5 | 0 | 0 | 0 | 113.3 | I1426 M1432 F1433 T1505 L1509 | I1426-P1430 WeakPolarHBondContact O-CD 3.11Å; P1430-M1432 PolarHBondContact O-N 3.18Å; P1430-F1433 PolarHBondContact O-N 2.88Å; P1430-F1433 VanDerWaalsContact O-N 3.13Å; P1430-T1505 HydrophobicContact CB-CG2 3.75Å; P1430-T1505 HydrophobicContact CG-CG2 3.69Å; P1430-L1509 HydrophobicContact CB-CD1 3.59Å; P1430-L1509 HydrophobicContact CG-CD1 3.88Å |
| 1431 | E | 94.9 | Very high | 97 | Very high | 130 Ų | 130 | 26.3 Ų | 26.3 | 61% | 0.607 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -66.2 | -19 | 178.7 | -51.6 | 87.6 | 166 | 0 | 0 | 113.3 | F1330 A1429 F1433 | F1330-E1431 HydrophobicContact CE1-CB 4.05Å; F1330-E1431 HydrophobicContact CZ-CB 4.23Å; A1429-E1431 VanDerWaalsContact C-OE2 3.24Å; A1429-E1431 WeakPolarHBondContact CA-OE2 3.3Å; A1429-E1431 PolarHBondContact O-N 2.72Å; A1429-E1431 VanDerWaalsContact O-N 3.07Å; E1431-F1433 VanDerWaalsContact C-N 3.28Å |
| 1432 | M | 95.9 | Very high | 97 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -76.6 | -16.3 | 175 | -67.6 | 169.9 | 51.9 | 0 | 0 | 113.4 | V1326 F1330 I1370 V1371 F1374 A1429 P1430 | V1326-M1432 HydrophobicContact CG1-CE 3.8Å; F1330-M1432 HydrophobicContact CB-CG 4.18Å; F1330-M1432 HydrophobicContact CB-SD 3.3Å; F1330-M1432 WeakPolarHBondContact CB-SD 3.39Å; F1330-M1432 HydrophobicContact CD1-CG 3.71Å; F1330-M1432 HydrophobicContact CD1-SD 3.78Å; F1330-M1432 HydrophobicContact CD2-CG 3.99Å; F1330-M1432 HydrophobicContact CD2-SD 4.22Å; F1330-M1432 HydrophobicContact CE1-CG 4.04Å; F1330-M1432 HydrophobicContact CE2-CG 4.33Å; F1330-M1432 HydrophobicContact CG-CG 3.66Å; F1330-M1432 HydrophobicContact CG-SD 3.49Å; F1330-M1432 WeakPolarHBondContact CG-SD 3.25Å; F1330-M1432 HydrophobicContact CZ-CG 4.33Å; I1370-M1432 HydrophobicContact CG2-CE 3.89Å; I1370-M1432 HydrophobicContact CG2-SD 4.22Å; V1371-M1432 HydrophobicContact CG2-CG 3.92Å; F1374-M1432 HydrophobicContact CB-CE 4.05Å; F1374-M1432 HydrophobicContact CD1-CB 4.07Å; F1374-M1432 HydrophobicContact CD1-CE 4.07Å; F1374-M1432 WeakPolarHBondContact CD1-O 2.96Å; F1374-M1432 HydrophobicContact CD2-CE 3.13Å; F1374-M1432 HydrophobicContact CE1-CE 4.34Å; F1374-M1432 HydrophobicContact CE2-CE 3.45Å; F1374-M1432 VanDerWaalsContact CE2-CE 3.45Å; F1374-M1432 HydrophobicContact CG-CB 4.26Å; F1374-M1432 HydrophobicContact CG-CE 3.46Å; F1374-M1432 VanDerWaalsContact CG-CE 3.46Å; F1374-M1432 HydrophobicContact CZ-CE 4.06Å; A1429-M1432 HydrophobicContact CB-CG 4.31Å; A1429-M1432 HydrophobicContact CB-SD 3.72Å; A1429-M1432 PolarHBondContact O-N 2.84Å; A1429-M1432 VanDerWaalsContact O-N 3.17Å; P1430-M1432 PolarHBondContact O-N 3.18Å |
| 1433 | F | 97.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.066 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -107.7 | 140.6 | -167.2 | -65.7 | -98.6 | 0 | 0 | 0 | 111.6 | F1374 E1375 Y1403 A1425 I1426 A1429 P1430 E1431 L1435 A1438 | F1374-F1433 AromaticContact CE1-CD1 3.71Å; F1374-F1433 HydrophobicContact CE1-CD1 3.71Å; F1374-F1433 HydrophobicContact CE1-CD2 4.38Å; F1374-F1433 AromaticContact CE1-CE1 3.32Å; F1374-F1433 HydrophobicContact CE1-CE1 3.32Å; F1374-F1433 HydrophobicContact CE1-CE2 4.04Å; F1374-F1433 HydrophobicContact CE1-CG 4.22Å; F1374-F1433 AromaticContact CE1-CZ 3.49Å; F1374-F1433 HydrophobicContact CE1-CZ 3.49Å; F1374-F1433 VanDerWaalsContact CE1-CZ 3.49Å; F1374-F1433 HydrophobicContact CZ-CD1 4.42Å; F1374-F1433 AromaticContact CZ-CE1 3.59Å; F1374-F1433 HydrophobicContact CZ-CE1 3.59Å; F1374-F1433 HydrophobicContact CZ-CE2 4.2Å; F1374-F1433 AromaticContact CZ-CZ 3.44Å; F1374-F1433 HydrophobicContact CZ-CZ 3.44Å; F1374-F1433 VanDerWaalsContact CZ-CZ 3.44Å; E1375-F1433 WeakPolarHBondContact OE1-CA 3.47Å; Y1403-F1433 HydrophobicContact CD1-CD1 4.31Å; Y1403-F1433 HydrophobicContact CD1-CE1 4.03Å; Y1403-F1433 HydrophobicContact CD2-CD1 4.34Å; Y1403-F1433 HydrophobicContact CD2-CE1 4.13Å; Y1403-F1433 AromaticContact CE1-CD1 3.75Å; Y1403-F1433 HydrophobicContact CE1-CD1 3.75Å; Y1403-F1433 AromaticContact CE1-CE1 3.94Å; Y1403-F1433 HydrophobicContact CE1-CE1 3.94Å; Y1403-F1433 AromaticContact CE2-CD1 3.79Å; Y1403-F1433 HydrophobicContact CE2-CD1 3.79Å; Y1403-F1433 HydrophobicContact CE2-CE1 4.06Å; Y1403-F1433 HydrophobicContact CG-CE1 4.12Å; Y1403-F1433 AromaticContact CZ-CD1 3.46Å; Y1403-F1433 VanDerWaalsContact CZ-CD1 3.46Å; Y1403-F1433 AromaticContact CZ-CE1 3.95Å; A1425-F1433 HydrophobicContact CB-CE2 3.99Å; A1425-F1433 HydrophobicContact CB-CZ 3.64Å; I1426-F1433 HydrophobicContact CB-CE2 4.42Å; I1426-F1433 HydrophobicContact CB-CZ 4.46Å; I1426-F1433 HydrophobicContact CD1-CD1 4.25Å; I1426-F1433 HydrophobicContact CD1-CE1 4.12Å; I1426-F1433 HydrophobicContact CG1-CD1 3.64Å; I1426-F1433 HydrophobicContact CG1-CD2 4.06Å; I1426-F1433 HydrophobicContact CG1-CE1 3.41Å; I1426-F1433 VanDerWaalsContact CG1-CE1 3.41Å; I1426-F1433 HydrophobicContact CG1-CE2 3.87Å; I1426-F1433 HydrophobicContact CG1-CG 3.98Å; I1426-F1433 HydrophobicContact CG1-CZ 3.55Å; A1429-F1433 WeakPolarHBondContact O-CD2 3.44Å; P1430-F1433 PolarHBondContact O-N 2.88Å; P1430-F1433 VanDerWaalsContact O-N 3.13Å; E1431-F1433 VanDerWaalsContact C-N 3.28Å; F1433-L1435 PolarHBondContact O-N 3.25Å; F1433-A1438 HydrophobicContact CB-CB 4.17Å |
| 1434 | N | 96 | Very high | 96.9 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | trans | -66.7 | 122.5 | 156 | 180 | -48.6 | 0 | 0 | 0 | 108.4 | E1375 D1436 H1437 A1438 | E1375-N1434 PolarHBondContact OE1-N 2.74Å; N1434-D1436 VanDerWaalsContact C-N 3.31Å; N1434-D1436 PolarHBondContact O-N 3.34Å; N1434-D1436 WeakPolarHBondContact OD1-CB 3.34Å; N1434-D1436 PolarHBondContact OD1-N 3.27Å; N1434-H1437 HydrophobicContact CB-CB 4.02Å; N1434-H1437 PolarHBondContact O-N 3.38Å; N1434-H1437 PolarHBondContact OD1-N 3.12Å; N1434-A1438 WeakPolarHBondContact O-CB 3.5Å; N1434-A1438 PolarHBondContact O-N 2.88Å | ||
| 1435 | L | 95.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -29.9 | -174 | -64.3 | -179.6 | 0 | 0 | 0 | 113.7 | F1433 E1439 L1509 R1510 | F1433-L1435 PolarHBondContact O-N 3.25Å; L1435-E1439 WeakPolarHBondContact O-CB 3.14Å; L1435-E1439 PolarHBondContact O-N 3.36Å; L1435-L1509 HydrophobicContact CD1-CB 4.1Å; L1435-L1509 HydrophobicContact CD2-CD1 3.95Å; L1435-R1510 HydrophobicContact CD1-CG 4.35Å |
| 1436 | D | 94.5 | Very high | 96.8 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.9 | -44.5 | 174.9 | -67.5 | -49.7 | 0 | 0 | 0 | 110.5 | N1434 A1438 E1439 I1440 R1510 | N1434-D1436 VanDerWaalsContact C-N 3.31Å; N1434-D1436 PolarHBondContact O-N 3.34Å; N1434-D1436 WeakPolarHBondContact OD1-CB 3.34Å; N1434-D1436 PolarHBondContact OD1-N 3.27Å; D1436-A1438 PolarHBondContact O-N 3.42Å; D1436-E1439 PolarHBondContact O-N 2.94Å; D1436-I1440 WeakPolarHBondContact O-CG1 3.46Å; D1436-I1440 PolarHBondContact O-N 3.45Å; D1436-R1510 IonicContact OD1-CZ 2.82Å; D1436-R1510 IonicContact OD1-NH1 3.8Å; D1436-R1510 PolarHBondContact OD1-NH1 3.12Å; D1436-R1510 IonicContact OD1-NH2 3.87Å; D1436-R1510 PolarHBondContact OD1-NH2 2.77Å; D1436-R1510 IonicContact OD2-NH2 3.2Å; D1436-R1510 PolarHBondContact OD2-NH2 3.26Å |
| 1437 | H | 96.4 | Very high | 96.7 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 18% | 0.181 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 175.5 | -64.1 | 176.9 | 0 | 0 | 0 | 111.6 | E1375 W1379 Y1403 N1434 E1439 I1440 A1441 | E1375-H1437 IonicContact OE2-CE1 3.83Å; E1375-H1437 IonicContact OE2-CG 3.64Å; E1375-H1437 IonicContact OE2-ND1 2.71Å; E1375-H1437 PolarHBondContact OE2-ND1 3.38Å; W1379-H1437 AromaticContact CD1-CE1 3.52Å; W1379-H1437 AromaticContact CD1-ND1 3.49Å; W1379-H1437 HydrophobicContact CD2-CB 3.84Å; W1379-H1437 AromaticContact CD2-CG 3.75Å; W1379-H1437 AromaticContact CD2-ND1 3.67Å; W1379-H1437 AromaticContact CE2-CD2 3.67Å; W1379-H1437 AromaticContact CE2-CE1 3.86Å; W1379-H1437 AromaticContact CE2-CG 3.4Å; W1379-H1437 AromaticContact CE2-ND1 3.54Å; W1379-H1437 AromaticContact CE2-NE2 3.96Å; W1379-H1437 HydrophobicContact CE3-CB 3.77Å; W1379-H1437 AromaticContact CG-ND1 3.65Å; W1379-H1437 HydrophobicContact CH2-CB 3.71Å; W1379-H1437 WeakPolarHBondContact CH2-O 3.48Å; W1379-H1437 HydrophobicContact CZ2-CB 3.76Å; W1379-H1437 AromaticContact CZ2-CD2 3.61Å; W1379-H1437 AromaticContact CZ2-CG 3.59Å; W1379-H1437 HydrophobicContact CZ3-CB 3.71Å; W1379-H1437 WeakPolarHBondContact CZ3-O 3.42Å; W1379-H1437 AromaticContact NE1-CD2 3.77Å; W1379-H1437 AromaticContact NE1-CE1 3.3Å; W1379-H1437 PolarHBondContact NE1-CE1 3.31Å; W1379-H1437 VanDerWaalsContact NE1-CE1 3.3Å; W1379-H1437 AromaticContact NE1-CG 3.69Å; W1379-H1437 AromaticContact NE1-ND1 3.4Å; W1379-H1437 PolarHBondContact NE1-ND1 3.28Å; W1379-H1437 AromaticContact NE1-NE2 3.55Å; Y1403-H1437 HydrophobicContact CE2-CB 4.39Å; Y1403-H1437 WeakPolarHBondContact OH-CB 3.34Å; N1434-H1437 HydrophobicContact CB-CB 4.02Å; N1434-H1437 PolarHBondContact O-N 3.38Å; N1434-H1437 PolarHBondContact OD1-N 3.12Å; H1437-E1439 PolarHBondContact O-N 3.03Å; H1437-I1440 PolarHBondContact O-N 3.29Å; H1437-A1441 WeakPolarHBondContact O-CB 3.01Å; H1437-A1441 PolarHBondContact O-N 3.33Å |
| 1438 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1426 F1433 N1434 D1436 A1441 L1442 V1506 | I1426-A1438 HydrophobicContact CD1-CB 4.03Å; F1433-A1438 HydrophobicContact CB-CB 4.17Å; N1434-A1438 WeakPolarHBondContact O-CB 3.5Å; N1434-A1438 PolarHBondContact O-N 2.88Å; D1436-A1438 PolarHBondContact O-N 3.42Å; A1438-A1441 PolarHBondContact O-N 3.17Å; A1438-L1442 WeakPolarHBondContact O-CB 3.25Å; A1438-L1442 VanDerWaalsContact O-CG 3.27Å; A1438-L1442 WeakPolarHBondContact O-CG 3.49Å; A1438-L1442 PolarHBondContact O-N 2.75Å; A1438-V1506 HydrophobicContact CB-CG2 4.1Å |
| 1439 | E | 95.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.2 | -173.3 | 168.5 | -174.2 | 0 | 0 | 111.5 | L1435 D1436 H1437 A1441 L1442 Q1443 V1506 R1510 | L1435-E1439 WeakPolarHBondContact O-CB 3.14Å; L1435-E1439 PolarHBondContact O-N 3.36Å; D1436-E1439 PolarHBondContact O-N 2.94Å; H1437-E1439 PolarHBondContact O-N 3.03Å; E1439-A1441 PolarHBondContact O-N 3.13Å; E1439-L1442 PolarHBondContact O-N 3.48Å; E1439-Q1443 VanDerWaalsContact O-CG 3.3Å; E1439-Q1443 WeakPolarHBondContact O-CG 3.39Å; E1439-Q1443 PolarHBondContact O-N 2.94Å; E1439-V1506 HydrophobicContact CB-CG1 4.36Å; E1439-R1510 IonicContact OE2-CZ 3.49Å; E1439-R1510 IonicContact OE2-NE 2.74Å; E1439-R1510 IonicContact OE2-NH1 2.92Å; E1439-R1510 PolarHBondContact OE2-NH1 3.41Å |
| 1440 | I | 96.9 | Very high | 96.7 | Very high | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.3 | -68.6 | 165.3 | 0 | 0 | 0 | 111 | W1379 D1436 H1437 L1442 Q1443 Q1444 | W1379-I1440 HydrophobicContact CH2-CB 4.11Å; W1379-I1440 HydrophobicContact CH2-CG2 3.96Å; D1436-I1440 WeakPolarHBondContact O-CG1 3.46Å; D1436-I1440 PolarHBondContact O-N 3.45Å; H1437-I1440 PolarHBondContact O-N 3.29Å; I1440-L1442 PolarHBondContact O-N 2.97Å; I1440-Q1443 PolarHBondContact O-N 3Å; I1440-Q1444 WeakPolarHBondContact O-CB 3.45Å; I1440-Q1444 PolarHBondContact O-N 3.2Å |
| 1441 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W1379 G1401 Y1403 F1422 H1437 A1438 E1439 Q1444 A1445 | W1379-A1441 HydrophobicContact CZ3-CB 4.21Å; G1401-A1441 WeakPolarHBondContact O-CA 3.26Å; Y1403-A1441 HydrophobicContact CD2-CB 3.6Å; Y1403-A1441 HydrophobicContact CE2-CB 3.78Å; F1422-A1441 HydrophobicContact CD2-CB 4.35Å; F1422-A1441 HydrophobicContact CE2-CB 3.56Å; F1422-A1441 HydrophobicContact CZ-CB 3.87Å; F1422-A1441 WeakPolarHBondContact CZ-O 3.34Å; H1437-A1441 WeakPolarHBondContact O-CB 3.01Å; H1437-A1441 PolarHBondContact O-N 3.33Å; A1438-A1441 PolarHBondContact O-N 3.17Å; E1439-A1441 PolarHBondContact O-N 3.13Å; A1441-Q1444 PolarHBondContact O-N 2.85Å; A1441-A1445 WeakPolarHBondContact O-CB 3.33Å; A1441-A1445 PolarHBondContact O-N 3.48Å |
| 1442 | L | 98.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.3 | -71.4 | 171.5 | 0 | 0 | 0 | 111.8 | F1422 P1423 I1426 A1438 E1439 I1440 Q1444 A1445 G1446 F1499 A1502 K1503 V1506 | F1422-L1442 HydrophobicContact CE2-CD2 4.21Å; P1423-L1442 HydrophobicContact CB-CD2 4.03Å; P1423-L1442 HydrophobicContact CG-CD2 4.15Å; I1426-L1442 HydrophobicContact CD1-CD1 4.33Å; I1426-L1442 HydrophobicContact CD1-CD2 4.18Å; I1426-L1442 HydrophobicContact CD1-CG 4.05Å; I1426-L1442 HydrophobicContact CG2-CD1 4.42Å; A1438-L1442 WeakPolarHBondContact O-CB 3.25Å; A1438-L1442 VanDerWaalsContact O-CG 3.27Å; A1438-L1442 WeakPolarHBondContact O-CG 3.49Å; A1438-L1442 PolarHBondContact O-N 2.75Å; E1439-L1442 PolarHBondContact O-N 3.48Å; I1440-L1442 PolarHBondContact O-N 2.97Å; L1442-Q1444 VanDerWaalsContact C-N 3.34Å; L1442-A1445 PolarHBondContact O-N 3.27Å; L1442-G1446 PolarHBondContact O-N 3.15Å; L1442-F1499 HydrophobicContact CB-CE2 4.49Å; L1442-F1499 HydrophobicContact CD2-CD2 3.97Å; L1442-F1499 HydrophobicContact CD2-CE2 4.09Å; L1442-F1499 WeakPolarHBondContact O-CE2 3.4Å; L1442-A1502 HydrophobicContact CD1-CB 4.09Å; L1442-A1502 HydrophobicContact CD2-CB 3.72Å; L1442-K1503 HydrophobicContact CB-CG 4.42Å; L1442-K1503 HydrophobicContact CD1-CG 4.21Å; L1442-V1506 HydrophobicContact CD1-CB 4.46Å; L1442-V1506 HydrophobicContact CD1-CG2 3.91Å |
| 1443 | Q | 97.1 | Very high | 96.4 | Very high | 116 Ų | 116 | 41.4 Ų | 41.4 | 54% | 0.542 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 172.1 | -71.5 | 173.2 | 10.1 | 0 | 0 | 111.1 | E1439 I1440 G1446 K1447 | E1439-Q1443 VanDerWaalsContact O-CG 3.3Å; E1439-Q1443 WeakPolarHBondContact O-CG 3.39Å; E1439-Q1443 PolarHBondContact O-N 2.94Å; I1440-Q1443 PolarHBondContact O-N 3Å; Q1443-G1446 PolarHBondContact O-N 3.05Å; Q1443-K1447 PolarHBondContact O-N 3.34Å |
| 1444 | Q | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.5 | -170.2 | 57.9 | 20.9 | 0 | 0 | 112.1 | V1399 I1402 L1418 I1440 A1441 L1442 K1447 E1448 | V1399-Q1444 HydrophobicContact CG1-CG 3.94Å; V1399-Q1444 VanDerWaalsContact CG1-NE2 3.31Å; I1402-Q1444 HydrophobicContact CG2-CB 4.42Å; I1402-Q1444 HydrophobicContact CG2-CG 3.84Å; L1418-Q1444 HydrophobicContact CD2-CG 4.34Å; I1440-Q1444 WeakPolarHBondContact O-CB 3.45Å; I1440-Q1444 PolarHBondContact O-N 3.2Å; A1441-Q1444 PolarHBondContact O-N 2.85Å; L1442-Q1444 VanDerWaalsContact C-N 3.34Å; Q1444-K1447 PolarHBondContact O-N 3.24Å; Q1444-E1448 PolarHBondContact NE2-OE1 3.05Å; Q1444-E1448 WeakPolarHBondContact O-CB 3.12Å; Q1444-E1448 WeakPolarHBondContact O-CG 3.36Å; Q1444-E1448 PolarHBondContact O-N 3.03Å |
| 1445 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1422 A1441 L1442 K1447 E1448 L1449 L1450 M1455 F1499 | F1422-A1445 HydrophobicContact CE1-CB 4.09Å; F1422-A1445 HydrophobicContact CZ-CB 3.74Å; A1441-A1445 WeakPolarHBondContact O-CB 3.33Å; A1441-A1445 PolarHBondContact O-N 3.48Å; L1442-A1445 PolarHBondContact O-N 3.27Å; A1445-K1447 PolarHBondContact O-N 2.94Å; A1445-E1448 PolarHBondContact O-N 3.22Å; A1445-L1449 HydrophobicContact CB-CD1 4.31Å; A1445-L1449 WeakPolarHBondContact O-CA 3.36Å; A1445-L1449 VanDerWaalsContact O-CB 3.32Å; A1445-L1449 WeakPolarHBondContact O-CB 3.43Å; A1445-L1449 PolarHBondContact O-N 3.38Å; A1445-L1450 PolarHBondContact O-N 2.89Å; A1445-M1455 HydrophobicContact CB-CE 4.38Å; A1445-F1499 HydrophobicContact CB-CD2 4.41Å; A1445-F1499 HydrophobicContact CB-CE2 4.08Å |
| 1446 | G | 97.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1442 Q1443 L1450 | L1442-G1446 PolarHBondContact O-N 3.15Å; Q1443-G1446 PolarHBondContact O-N 3.05Å; G1446-L1450 WeakPolarHBondContact O-CB 3.34Å |
| 1447 | K | 97 | Very high | 96.7 | Very high | 157 Ų | 157 | 32.5 Ų | 32.5 | 68% | 0.683 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -72.8 | -42.7 | 177.9 | -179.2 | 179.5 | 175 | 179.5 | 0 | 113.6 | Q1443 Q1444 A1445 | Q1443-K1447 PolarHBondContact O-N 3.34Å; Q1444-K1447 PolarHBondContact O-N 3.24Å; A1445-K1447 PolarHBondContact O-N 2.94Å |
| 1448 | E | 97.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -99 | -27.6 | -168.6 | -59.6 | -71.5 | 160 | 0 | 0 | 113.8 | L1418 Q1444 A1445 T1459 K1461 | L1418-E1448 HydrophobicContact CD2-CB 3.72Å; L1418-E1448 HydrophobicContact CD2-CG 3.88Å; Q1444-E1448 PolarHBondContact NE2-OE1 3.05Å; Q1444-E1448 WeakPolarHBondContact O-CB 3.12Å; Q1444-E1448 WeakPolarHBondContact O-CG 3.36Å; Q1444-E1448 PolarHBondContact O-N 3.03Å; A1445-E1448 PolarHBondContact O-N 3.22Å; E1448-T1459 PolarHBondContact OE2-OG1 3.49Å; E1448-K1461 WeakPolarHBondContact OE1-CE 3.33Å; E1448-K1461 IonicContact OE1-NZ 2.89Å; E1448-K1461 PolarHBondContact OE1-NZ 3.19Å; E1448-K1461 WeakPolarHBondContact OE2-CD 3.34Å; E1448-K1461 VanDerWaalsContact OE2-CE 3.24Å; E1448-K1461 WeakPolarHBondContact OE2-CE 3.37Å; E1448-K1461 IonicContact OE2-NZ 2.7Å; E1448-K1461 PolarHBondContact OE2-NZ 2.95Å |
| 1449 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -23 | -169.5 | -55.7 | -178 | 0 | 0 | 0 | 114 | L1418 P1420 A1445 A1451 M1455 K1456 | L1418-L1449 HydrophobicContact CD1-CD1 4.06Å; L1418-L1449 HydrophobicContact CD2-CG 4.47Å; L1418-L1449 HydrophobicContact CG-CD1 4Å; L1418-L1449 HydrophobicContact CG-CD2 4.27Å; L1418-L1449 HydrophobicContact CG-CG 4.18Å; P1420-L1449 HydrophobicContact CB-CD1 4.19Å; A1445-L1449 HydrophobicContact CB-CD1 4.31Å; A1445-L1449 WeakPolarHBondContact O-CA 3.36Å; A1445-L1449 VanDerWaalsContact O-CB 3.32Å; A1445-L1449 WeakPolarHBondContact O-CB 3.43Å; A1445-L1449 PolarHBondContact O-N 3.38Å; L1449-A1451 PolarHBondContact O-N 3.18Å; L1449-M1455 HydrophobicContact CB-CE 3.65Å; L1449-M1455 HydrophobicContact CB-SD 4.37Å; L1449-M1455 HydrophobicContact CD1-CE 4.26Å; L1449-M1455 CarbonylContact O-C 3.47Å; L1449-M1455 WeakPolarHBondContact O-CA 3.37Å; L1449-K1456 HydrophobicContact CD2-CB 4.35Å; L1449-K1456 WeakPolarHBondContact O-CG 3.12Å; L1449-K1456 PolarHBondContact O-N 2.62Å |
| 1450 | L | 97.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 133.4 | -177.2 | -170.8 | 62.1 | 0 | 0 | 0 | 111.4 | A1445 G1446 M1455 L1496 F1499 L1528 | A1445-L1450 PolarHBondContact O-N 2.89Å; G1446-L1450 WeakPolarHBondContact O-CB 3.34Å; L1450-M1455 HydrophobicContact CB-SD 4.2Å; L1450-M1455 HydrophobicContact CD1-SD 3.8Å; L1450-L1496 HydrophobicContact CD1-CD1 3.58Å; L1450-F1499 HydrophobicContact CD1-CD1 4.35Å; L1450-F1499 HydrophobicContact CD1-CE1 4.16Å; L1450-F1499 HydrophobicContact CD2-CE1 4.43Å; L1450-L1528 HydrophobicContact CD2-CD1 3.96Å; L1450-L1528 HydrophobicContact CD2-CD2 3.83Å |
| 1451 | A | 95.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | trans | -129.6 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1449 L1453 G1454 E1491 | L1449-A1451 PolarHBondContact O-N 3.18Å; A1451-L1453 VanDerWaalsContact C-N 3.34Å; A1451-L1453 PolarHBondContact O-N 3.42Å; A1451-G1454 CarbonylContact C-O 3.56Å; A1451-G1454 WeakPolarHBondContact CA-O 3.4Å; A1451-G1454 WeakPolarHBondContact CB-O 3.45Å; A1451-G1454 PolarHBondContact N-O 3.26Å; A1451-E1491 HydrophobicContact CB-CB 4.31Å; A1451-E1491 HydrophobicContact CB-CG 3.65Å; A1451-E1491 VanDerWaalsContact CB-OE1 3.25Å; A1451-E1491 WeakPolarHBondContact CB-OE1 3.33Å; A1451-E1491 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 1452 | P | 92 | Very high | 96.6 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -60.3 | -35.7 | -171.5 | -27.8 | 36.7 | 0 | 0 | 0 | 115.5 | P1531 | P1452-P1531 VanDerWaalsContact O-CB 3.26Å; P1452-P1531 WeakPolarHBondContact O-CB 3.3Å |
| 1453 | L | 92.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -120.7 | -9.2 | -176.2 | -68.8 | 173.8 | 0 | 0 | 0 | 113.2 | A1451 Y1493 P1531 H1535 T1548 | A1451-L1453 VanDerWaalsContact C-N 3.34Å; A1451-L1453 PolarHBondContact O-N 3.42Å; L1453-Y1493 HydrophobicContact CB-CD2 4.49Å; L1453-Y1493 HydrophobicContact CB-CE2 3.76Å; L1453-Y1493 HydrophobicContact CD2-CE2 4.28Å; L1453-Y1493 VanDerWaalsContact CD2-OH 3.3Å; L1453-Y1493 WeakPolarHBondContact CD2-OH 3.33Å; L1453-Y1493 HydrophobicContact CG-CE2 4.49Å; L1453-Y1493 WeakPolarHBondContact O-CD1 3.22Å; L1453-Y1493 VanDerWaalsContact O-CD2 3.23Å; L1453-Y1493 WeakPolarHBondContact O-CD2 3.31Å; L1453-Y1493 VanDerWaalsContact O-CE1 3.25Å; L1453-Y1493 WeakPolarHBondContact O-CE1 3.2Å; L1453-Y1493 WeakPolarHBondContact O-CE2 3.47Å; L1453-P1531 HydrophobicContact CD2-CB 3.8Å; L1453-H1535 HydrophobicContact CD2-CB 4.1Å; L1453-T1548 HydrophobicContact CB-CG2 4.34Å; L1453-T1548 HydrophobicContact CD1-CG2 4.08Å |
| 1454 | G | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -160 | -171.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1451 W1492 | A1451-G1454 CarbonylContact C-O 3.56Å; A1451-G1454 WeakPolarHBondContact CA-O 3.4Å; A1451-G1454 WeakPolarHBondContact CB-O 3.45Å; A1451-G1454 PolarHBondContact N-O 3.26Å; G1454-W1492 CarbonylContact C-O 3.55Å; G1454-W1492 WeakPolarHBondContact CA-O 3.31Å |
| 1455 | M | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.3 | 174.7 | -70.2 | -74.8 | -75.5 | 0 | 0 | 109.6 | P1420 A1445 L1449 L1450 T1457 E1491 W1492 P1495 L1496 F1499 | P1420-M1455 HydrophobicContact CB-CB 3.91Å; P1420-M1455 HydrophobicContact CB-CE 4Å; P1420-M1455 HydrophobicContact CB-CG 4.48Å; P1420-M1455 HydrophobicContact CG-CB 4.36Å; A1445-M1455 HydrophobicContact CB-CE 4.38Å; L1449-M1455 HydrophobicContact CB-CE 3.65Å; L1449-M1455 HydrophobicContact CB-SD 4.37Å; L1449-M1455 HydrophobicContact CD1-CE 4.26Å; L1449-M1455 CarbonylContact O-C 3.47Å; L1449-M1455 WeakPolarHBondContact O-CA 3.37Å; L1450-M1455 HydrophobicContact CB-SD 4.2Å; L1450-M1455 HydrophobicContact CD1-SD 3.8Å; M1455-T1457 PolarHBondContact O-N 3.45Å; M1455-E1491 CarbonylContact O-C 3.2Å; M1455-E1491 WeakPolarHBondContact O-CA 3.32Å; M1455-W1492 PolarHBondContact N-O 3.02Å; M1455-W1492 PolarHBondContact O-N 2.68Å; M1455-P1495 HydrophobicContact CB-CB 4.21Å; M1455-L1496 HydrophobicContact CG-CB 4.04Å; M1455-L1496 HydrophobicContact CG-CD1 4.44Å; M1455-F1499 HydrophobicContact CE-CB 4.08Å; M1455-F1499 HydrophobicContact CE-CD1 4.46Å; M1455-F1499 HydrophobicContact CE-CD2 3.89Å; M1455-F1499 HydrophobicContact CE-CE2 4.45Å; M1455-F1499 HydrophobicContact CE-CG 3.88Å; M1455-F1499 HydrophobicContact CG-CB 4.39Å; M1455-F1499 HydrophobicContact SD-CB 4.25Å; M1455-F1499 HydrophobicContact SD-CD1 4.08Å; M1455-F1499 HydrophobicContact SD-CG 4.03Å |
| 1456 | K | 98.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 128.6 | 170.3 | -60.7 | 172.6 | -168.1 | 176.4 | 0 | 108.6 | P1420 L1449 L1458 E1460 Y1465 E1491 | P1420-K1456 WeakPolarHBondContact CD-O 3.43Å; L1449-K1456 HydrophobicContact CD2-CB 4.35Å; L1449-K1456 WeakPolarHBondContact O-CG 3.12Å; L1449-K1456 PolarHBondContact O-N 2.62Å; K1456-L1458 PolarHBondContact O-N 2.93Å; K1456-E1460 HydrophobicContact CD-CG 4.36Å; K1456-E1460 IonicContact NZ-OE1 2.96Å; K1456-E1460 PolarHBondContact NZ-OE1 3.42Å; K1456-Y1465 HydrophobicContact CD-CE2 4.37Å; K1456-E1491 HydrophobicContact CG-CG 3.81Å |
| 1457 | T | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -68.7 | -17.4 | 179.2 | 38.9 | 0 | 0 | 0 | 0 | 113.8 | W1298 M1299 R1419 P1420 M1455 H1487 N1488 G1489 P1490 W1492 | W1298-T1457 HydrophobicContact CH2-CG2 3.73Å; W1298-T1457 HydrophobicContact CZ2-CG2 4.44Å; M1299-T1457 HydrophobicContact CE-CG2 3.91Å; R1419-T1457 WeakPolarHBondContact CG-O 3.49Å; P1420-T1457 WeakPolarHBondContact CD-O 3.24Å; M1455-T1457 PolarHBondContact O-N 3.45Å; T1457-H1487 WeakPolarHBondContact CB-O 3.39Å; T1457-H1487 VanDerWaalsContact OG1-C 3.24Å; T1457-N1488 PolarHBondContact OG1-N 3Å; T1457-G1489 PolarHBondContact OG1-N 2.84Å; T1457-P1490 PolarHBondContact N-O 3.2Å; T1457-P1490 PolarHBondContact OG1-O 3.17Å; T1457-W1492 HydrophobicContact CG2-CB 4.33Å; T1457-W1492 HydrophobicContact CG2-CG 3.8Å |
| 1458 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -148.8 | 144.9 | 176.3 | -172.7 | 63.7 | 0 | 0 | 0 | 109.8 | R1417 R1419 K1456 D1462 S1464 Y1465 N1488 | R1417-L1458 HydrophobicContact CB-CD1 4.16Å; R1417-L1458 HydrophobicContact CG-CD1 4.48Å; R1419-L1458 HydrophobicContact CG-CD1 4.23Å; K1456-L1458 PolarHBondContact O-N 2.93Å; L1458-D1462 HydrophobicContact CD1-CB 3.94Å; L1458-D1462 HydrophobicContact CD2-CB 3.73Å; L1458-D1462 HydrophobicContact CG-CB 3.71Å; L1458-S1464 WeakPolarHBondContact CD2-OG 3.49Å; L1458-Y1465 VanDerWaalsContact O-CD2 3.23Å; L1458-Y1465 WeakPolarHBondContact O-CD2 3.2Å; L1458-Y1465 WeakPolarHBondContact O-CE2 3.41Å; L1458-N1488 HydrophobicContact CD2-CB 4.15Å |
| 1459 | T | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -64 | 143.7 | 174.9 | 176 | 0 | 0 | 0 | 0 | 112.1 | V1399 L1418 E1448 K1461 D1462 | V1399-T1459 HydrophobicContact CG2-CG2 4.27Å; L1418-T1459 HydrophobicContact CB-CG2 4.02Å; L1418-T1459 PolarHBondContact O-N 3.41Å; E1448-T1459 PolarHBondContact OE2-OG1 3.49Å; T1459-K1461 HydrophobicContact CG2-CB 4.15Å; T1459-K1461 PolarHBondContact O-N 3.34Å; T1459-K1461 VanDerWaalsContact O-N 3.09Å; T1459-K1461 PolarHBondContact OG1-N 3.15Å; T1459-D1462 HydrophobicContact CG2-CB 4.2Å; T1459-D1462 WeakPolarHBondContact O-CB 3.42Å; T1459-D1462 PolarHBondContact O-N 2.7Å | ||
| 1460 | E | 96.1 | Very high | 96.1 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 38% | 0.379 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16 | 174.4 | -57.8 | -161.9 | -159.6 | 0 | 0 | 113.2 | K1456 D1462 Y1465 K1550 | K1456-E1460 HydrophobicContact CD-CG 4.36Å; K1456-E1460 IonicContact NZ-OE1 2.96Å; K1456-E1460 PolarHBondContact NZ-OE1 3.42Å; E1460-D1462 VanDerWaalsContact C-N 3.26Å; E1460-D1462 PolarHBondContact O-N 3.23Å; E1460-Y1465 HydrophobicContact CB-CD1 4.25Å; E1460-Y1465 HydrophobicContact CB-CE1 4.36Å; E1460-Y1465 HydrophobicContact CB-CG 4.42Å; E1460-Y1465 HydrophobicContact CG-CD1 4.07Å; E1460-Y1465 HydrophobicContact CG-CD2 4.24Å; E1460-Y1465 HydrophobicContact CG-CE1 3.7Å; E1460-Y1465 HydrophobicContact CG-CE2 3.87Å; E1460-Y1465 HydrophobicContact CG-CG 4.34Å; E1460-K1550 VanDerWaalsContact OE1-CE 3.28Å; E1460-K1550 WeakPolarHBondContact OE1-CE 3.49Å; E1460-K1550 IonicContact OE1-NZ 3.54Å; E1460-K1550 PolarHBondContact OE1-NZ 2.64Å; E1460-K1550 IonicContact OE2-NZ 3.69Å; E1460-K1550 PolarHBondContact OE2-NZ 3.4Å |
| 1461 | K | 95.1 | Very high | 95.9 | Very high | 109 Ų | 109 | 36.4 Ų | 36.4 | 47% | 0.474 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.2 | 174.5 | -67.5 | 176.8 | 174.1 | 169.6 | 0 | 113.3 | N1398 V1399 E1448 T1459 | N1398-K1461 PolarHBondContact ND2-O 2.58Å; V1399-K1461 HydrophobicContact CG2-CD 3.98Å; E1448-K1461 WeakPolarHBondContact OE1-CE 3.33Å; E1448-K1461 IonicContact OE1-NZ 2.89Å; E1448-K1461 PolarHBondContact OE1-NZ 3.19Å; E1448-K1461 WeakPolarHBondContact OE2-CD 3.34Å; E1448-K1461 VanDerWaalsContact OE2-CE 3.24Å; E1448-K1461 WeakPolarHBondContact OE2-CE 3.37Å; E1448-K1461 IonicContact OE2-NZ 2.7Å; E1448-K1461 PolarHBondContact OE2-NZ 2.95Å; T1459-K1461 HydrophobicContact CG2-CB 4.15Å; T1459-K1461 PolarHBondContact O-N 3.34Å; T1459-K1461 VanDerWaalsContact O-N 3.09Å; T1459-K1461 PolarHBondContact OG1-N 3.15Å |
| 1462 | D | 95.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -81.9 | 135.4 | 176.9 | -165.5 | -69.7 | 0 | 0 | 0 | 110.7 | R1417 L1458 T1459 E1460 S1464 Y1465 | R1417-D1462 IonicContact CZ-OD1 3Å; R1417-D1462 IonicContact CZ-OD2 3.85Å; R1417-D1462 IonicContact NE-OD2 2.88Å; R1417-D1462 PolarHBondContact NE-OD2 2.93Å; R1417-D1462 IonicContact NH2-OD1 2.71Å; R1417-D1462 PolarHBondContact NH2-OD1 2.86Å; R1417-D1462 IonicContact NH2-OD2 3.99Å; L1458-D1462 HydrophobicContact CD1-CB 3.94Å; L1458-D1462 HydrophobicContact CD2-CB 3.73Å; L1458-D1462 HydrophobicContact CG-CB 3.71Å; T1459-D1462 HydrophobicContact CG2-CB 4.2Å; T1459-D1462 WeakPolarHBondContact O-CB 3.42Å; T1459-D1462 PolarHBondContact O-N 2.7Å; E1460-D1462 VanDerWaalsContact C-N 3.26Å; E1460-D1462 PolarHBondContact O-N 3.23Å; D1462-S1464 PolarHBondContact O-N 2.97Å; D1462-S1464 VanDerWaalsContact O-N 3.12Å; D1462-S1464 WeakPolarHBondContact OD1-CB 3.2Å; D1462-S1464 PolarHBondContact OD1-N 3.03Å; D1462-S1464 PolarHBondContact OD1-OG 3.2Å; D1462-Y1465 VanDerWaalsContact O-CB 3.27Å; D1462-Y1465 WeakPolarHBondContact O-CB 3.37Å; D1462-Y1465 PolarHBondContact O-N 2.86Å |
| 1463 | W | 93.3 | Very high | 96 | Very high | 185 Ų | 185 | 39.1 Ų | 39.1 | 70% | 0.701 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.1 | -177.5 | 71.3 | -90.7 | 0 | 0 | 0 | 113.9 | K1479 | W1463-K1479 HydrophobicContact CE3-CD 4.44Å; W1463-K1479 HydrophobicContact CZ3-CD 4.26Å |
| 1464 | S | 93.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.4 | 179.2 | 60 | 0 | 0 | 0 | 0 | 113.6 | R1417 L1458 D1462 V1466 | R1417-S1464 PolarHBondContact NH1-OG 2.92Å; R1417-S1464 PolarHBondContact NH2-OG 3.17Å; L1458-S1464 WeakPolarHBondContact CD2-OG 3.49Å; D1462-S1464 PolarHBondContact O-N 2.97Å; D1462-S1464 VanDerWaalsContact O-N 3.12Å; D1462-S1464 WeakPolarHBondContact OD1-CB 3.2Å; D1462-S1464 PolarHBondContact OD1-N 3.03Å; D1462-S1464 PolarHBondContact OD1-OG 3.2Å; S1464-V1466 PolarHBondContact O-N 3.36Å |
| 1465 | Y | 97.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | -61.7 | 126.4 | 179.1 | 175.9 | -92.4 | 0 | 0 | 0 | 112.9 | K1456 L1458 E1460 D1462 N1488 G1489 | K1456-Y1465 HydrophobicContact CD-CE2 4.37Å; L1458-Y1465 VanDerWaalsContact O-CD2 3.23Å; L1458-Y1465 WeakPolarHBondContact O-CD2 3.2Å; L1458-Y1465 WeakPolarHBondContact O-CE2 3.41Å; E1460-Y1465 HydrophobicContact CB-CD1 4.25Å; E1460-Y1465 HydrophobicContact CB-CE1 4.36Å; E1460-Y1465 HydrophobicContact CB-CG 4.42Å; E1460-Y1465 HydrophobicContact CG-CD1 4.07Å; E1460-Y1465 HydrophobicContact CG-CD2 4.24Å; E1460-Y1465 HydrophobicContact CG-CE1 3.7Å; E1460-Y1465 HydrophobicContact CG-CE2 3.87Å; E1460-Y1465 HydrophobicContact CG-CG 4.34Å; D1462-Y1465 VanDerWaalsContact O-CB 3.27Å; D1462-Y1465 WeakPolarHBondContact O-CB 3.37Å; D1462-Y1465 PolarHBondContact O-N 2.86Å; Y1465-N1488 CarbonylContact C-O 3.41Å; Y1465-N1488 WeakPolarHBondContact CA-O 3.4Å; Y1465-G1489 VanDerWaalsContact CD2-CA 3.49Å | ||
| 1466 | V | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | trans | -143.1 | 111.6 | 165 | -178 | 0 | 0 | 0 | 0 | 109.7 | S1464 K1479 R1480 N1485 N1488 P1490 | S1464-V1466 PolarHBondContact O-N 3.36Å; V1466-K1479 HydrophobicContact CG2-CB 4.03Å; V1466-R1480 HydrophobicContact CB-CG 4.38Å; V1466-R1480 HydrophobicContact CG1-CG 3.85Å; V1466-R1480 VanDerWaalsContact CG1-NE 3.26Å; V1466-R1480 HydrophobicContact CG2-CG 4.01Å; V1466-N1485 HydrophobicContact CB-CB 3.76Å; V1466-N1485 HydrophobicContact CG1-CB 4.32Å; V1466-N1485 WeakPolarHBondContact CG1-ND2 3.38Å; V1466-N1485 PolarHBondContact O-ND2 3.39Å; V1466-N1488 PolarHBondContact N-O 3.04Å; V1466-P1490 WeakPolarHBondContact O-CD 3.37Å | ||
| 1467 | G | 96.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -75 | -22.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117 | P1490 K1550 | G1467-P1490 WeakPolarHBondContact O-CA 3.31Å; G1467-K1550 PolarHBondContact O-N 3.47Å | ||
| 1468 | D | 97.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | trans | -100.3 | 111.6 | -174.8 | -57.7 | -34.2 | 0 | 0 | 0 | 111 | N1485 N1549 K1550 | D1468-N1485 VanDerWaalsContact C-ND2 3.3Å; D1468-N1485 PolarHBondContact O-ND2 2.62Å; D1468-N1549 WeakPolarHBondContact CA-OD1 3.45Å; D1468-K1550 WeakPolarHBondContact OD1-CB 3.4Å; D1468-K1550 PolarHBondContact OD1-N 2.83Å | ||
| 1469 | Y | 97.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | trans | -86.4 | 119.7 | 176.3 | 178 | -120.4 | 0 | 0 | 0 | 110.6 | N1471 G1483 Y1486 L1547 N1549 D1557 | Y1469-N1471 HydrophobicContact CE1-CB 4.17Å; Y1469-N1471 HydrophobicContact CE2-CB 4.11Å; Y1469-N1471 WeakPolarHBondContact OH-CB 3.21Å; Y1469-N1471 VanDerWaalsContact OH-CG 3.22Å; Y1469-N1471 PolarHBondContact OH-OD1 3.45Å; Y1469-G1483 VanDerWaalsContact CE2-CA 3.47Å; Y1469-Y1486 AromaticContact CD1-CD2 3.8Å; Y1469-Y1486 HydrophobicContact CD1-CD2 3.8Å; Y1469-Y1486 AromaticContact CD1-CE2 3.96Å; Y1469-Y1486 HydrophobicContact CD1-CE2 3.96Å; Y1469-Y1486 AromaticContact CD2-CD2 3.67Å; Y1469-Y1486 HydrophobicContact CD2-CD2 3.67Å; Y1469-Y1486 HydrophobicContact CD2-CG 4.43Å; Y1469-Y1486 AromaticContact CE1-CD2 3.47Å; Y1469-Y1486 HydrophobicContact CE1-CD2 3.47Å; Y1469-Y1486 VanDerWaalsContact CE1-CD2 3.47Å; Y1469-Y1486 AromaticContact CE1-CE2 3.42Å; Y1469-Y1486 HydrophobicContact CE1-CE2 3.42Å; Y1469-Y1486 VanDerWaalsContact CE1-CE2 3.42Å; Y1469-Y1486 AromaticContact CE2-CD2 3.31Å; Y1469-Y1486 HydrophobicContact CE2-CD2 3.31Å; Y1469-Y1486 HydrophobicContact CE2-CE2 4.11Å; Y1469-Y1486 AromaticContact CE2-CG 3.97Å; Y1469-Y1486 HydrophobicContact CE2-CG 3.97Å; Y1469-Y1486 AromaticContact CG-CD2 3.89Å; Y1469-Y1486 HydrophobicContact CG-CD2 3.89Å; Y1469-Y1486 HydrophobicContact CG-CE2 4.5Å; Y1469-Y1486 AromaticContact CZ-CD2 3.2Å; Y1469-Y1486 AromaticContact CZ-CE2 3.5Å; Y1469-L1547 HydrophobicContact CD1-CD1 4.34Å; Y1469-L1547 HydrophobicContact CD1-CD2 4.49Å; Y1469-N1549 PolarHBondContact N-OD1 2.9Å; Y1469-N1549 PolarHBondContact O-OD1 3.37Å; Y1469-D1557 HydrophobicContact CD1-CB 3.81Å; Y1469-D1557 HydrophobicContact CE1-CB 3.47Å; Y1469-D1557 VanDerWaalsContact CE1-CB 3.47Å | ||
| 1470 | V | 95.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.376 | 31% | 0.308 | S | S | . | . | trans | -133.6 | 100.1 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | S1472 D1473 D1557 | V1470-S1472 PolarHBondContact O-N 3.29Å; V1470-D1473 HydrophobicContact CB-CB 4.21Å; V1470-D1473 HydrophobicContact CG1-CB 4.17Å; V1470-D1473 WeakPolarHBondContact O-CB 3.15Å; V1470-D1473 PolarHBondContact O-N 2.91Å; V1470-D1557 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 1471 | N | 94.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -24.8 | -172.2 | -164.8 | 37 | 0 | 0 | 0 | 112.5 | K1301 Y1469 K1482 D1557 | K1301-N1471 PolarHBondContact NZ-OD1 2.87Å; Y1469-N1471 HydrophobicContact CE1-CB 4.17Å; Y1469-N1471 HydrophobicContact CE2-CB 4.11Å; Y1469-N1471 WeakPolarHBondContact OH-CB 3.21Å; Y1469-N1471 VanDerWaalsContact OH-CG 3.22Å; Y1469-N1471 PolarHBondContact OH-OD1 3.45Å; N1471-K1482 WeakPolarHBondContact O-CA 3.5Å; N1471-K1482 PolarHBondContact OD1-O 3.4Å; N1471-D1557 HydrophobicContact CB-CB 4.28Å; N1471-D1557 PolarHBondContact N-OD2 3.03Å |
| 1472 | S | 94.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.2 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | V1470 D1474 | V1470-S1472 PolarHBondContact O-N 3.29Å; S1472-D1474 PolarHBondContact O-N 2.7Å |
| 1473 | D | 94.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 53 Ų | 53 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | trans | -61.8 | 120 | 177 | -179.9 | -4.7 | 0 | 0 | 0 | 109.5 | V1470 S1475 A1481 K1482 | V1470-D1473 HydrophobicContact CB-CB 4.21Å; V1470-D1473 HydrophobicContact CG1-CB 4.17Å; V1470-D1473 WeakPolarHBondContact O-CB 3.15Å; V1470-D1473 PolarHBondContact O-N 2.91Å; D1473-S1475 WeakPolarHBondContact OD1-CB 3.42Å; D1473-S1475 PolarHBondContact OD1-N 2.83Å; D1473-S1475 PolarHBondContact OD1-OG 2.85Å; D1473-S1475 PolarHBondContact OD2-OG 3.45Å; D1473-A1481 CarbonylContact O-C 3.6Å; D1473-A1481 WeakPolarHBondContact O-CA 3.49Å; D1473-K1482 WeakPolarHBondContact O-CA 3.27Å; D1473-K1482 PolarHBondContact O-N 3.49Å | ||
| 1474 | D | 95 | Very high | 95.6 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 31% | 0.305 | 25% | 0.25 | S | C | . | . | trans | -124.5 | 44.7 | 173.6 | -156 | 14.7 | 0 | 0 | 0 | 110.2 | S1305 K1307 S1472 K1482 | S1305-D1474 WeakPolarHBondContact CB-OD1 3.27Å; S1305-D1474 PolarHBondContact OG-OD1 3.45Å; K1307-D1474 WeakPolarHBondContact CD-O 3.47Å; K1307-D1474 WeakPolarHBondContact CE-O 3.42Å; K1307-D1474 PolarHBondContact NZ-O 3.21Å; S1472-D1474 PolarHBondContact O-N 2.7Å; D1474-K1482 HydrophobicContact CB-CD 4.25Å; D1474-K1482 WeakPolarHBondContact OD2-CE 3.41Å; D1474-K1482 IonicContact OD2-NZ 3.6Å; D1474-K1482 PolarHBondContact OD2-NZ 3.34Å | ||
| 1475 | S | 95.1 | Very high | 95.8 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | trans | -66.5 | 176.5 | 171.1 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | D1473 A1481 | D1473-S1475 WeakPolarHBondContact OD1-CB 3.42Å; D1473-S1475 PolarHBondContact OD1-N 2.83Å; D1473-S1475 PolarHBondContact OD1-OG 2.85Å; D1473-S1475 PolarHBondContact OD2-OG 3.45Å; S1475-A1481 WeakPolarHBondContact O-CB 3.36Å | ||
| 1476 | S | 95.7 | Very high | 95.8 | Very high | 93 Ų | 93 | 44.8 Ų | 44.8 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -84.6 | 5.5 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | P1478 | S1476-P1478 VanDerWaalsContact O-CD 3.24Å; S1476-P1478 WeakPolarHBondContact O-CD 3.33Å |
| 1477 | D | 95.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -84.1 | 107.6 | 175.9 | -176.7 | -3.1 | 0 | 0 | 0 | 109.6 | K1479 R1480 A1481 | D1477-K1479 PolarHBondContact O-N 3.3Å; D1477-K1479 WeakPolarHBondContact OD1-CB 3.46Å; D1477-K1479 PolarHBondContact OD1-N 2.88Å; D1477-R1480 PolarHBondContact O-N 2.93Å; D1477-R1480 VanDerWaalsContact O-N 3.1Å; D1477-R1480 IonicContact OD2-NE 2.66Å; D1477-A1481 VanDerWaalsContact O-CB 3.29Å; D1477-A1481 WeakPolarHBondContact O-CB 3.47Å; D1477-A1481 PolarHBondContact O-N 3.28Å | ||
| 1478 | P | 94.7 | Very high | 95.8 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.5 | -178.1 | 25.5 | -34.7 | 0 | 0 | 0 | 113.3 | A1308 N1310 S1476 R1480 F1484 | A1308-P1478 HydrophobicContact CB-CB 4.35Å; N1310-P1478 HydrophobicContact CB-CB 4.32Å; N1310-P1478 PolarHBondContact ND2-O 3.3Å; S1476-P1478 VanDerWaalsContact O-CD 3.24Å; S1476-P1478 WeakPolarHBondContact O-CD 3.33Å; P1478-R1480 VanDerWaalsContact C-N 3.34Å; P1478-F1484 WeakPolarHBondContact O-CB 3.44Å; P1478-F1484 VanDerWaalsContact O-CD1 3.29Å; P1478-F1484 WeakPolarHBondContact O-CD1 3.44Å; P1478-F1484 VanDerWaalsContact O-CG 3.25Å; P1478-F1484 WeakPolarHBondContact O-CG 3.36Å |
| 1479 | K | 95.2 | Very high | 95.8 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -23.2 | 179.5 | -62.1 | -174.9 | -69.3 | 176.7 | 0 | 113 | W1463 V1466 D1477 N1485 | W1463-K1479 HydrophobicContact CE3-CD 4.44Å; W1463-K1479 HydrophobicContact CZ3-CD 4.26Å; V1466-K1479 HydrophobicContact CG2-CB 4.03Å; D1477-K1479 PolarHBondContact O-N 3.3Å; D1477-K1479 WeakPolarHBondContact OD1-CB 3.46Å; D1477-K1479 PolarHBondContact OD1-N 2.88Å; K1479-N1485 VanDerWaalsContact O-CB 3.29Å; K1479-N1485 WeakPolarHBondContact O-CB 3.45Å; K1479-N1485 PolarHBondContact O-N 3.08Å; K1479-N1485 VanDerWaalsContact O-N 3.16Å |
| 1480 | R | 95 | Very high | 95.8 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -33.2 | -173.9 | -54.9 | -168.7 | -178.4 | -162.5 | -7 | 113.1 | V1466 D1477 P1478 K1482 G1483 F1484 | V1466-R1480 HydrophobicContact CB-CG 4.38Å; V1466-R1480 HydrophobicContact CG1-CG 3.85Å; V1466-R1480 VanDerWaalsContact CG1-NE 3.26Å; V1466-R1480 HydrophobicContact CG2-CG 4.01Å; D1477-R1480 PolarHBondContact O-N 2.93Å; D1477-R1480 VanDerWaalsContact O-N 3.1Å; D1477-R1480 IonicContact OD2-NE 2.66Å; P1478-R1480 VanDerWaalsContact C-N 3.34Å; R1480-K1482 PolarHBondContact O-N 3.37Å; R1480-G1483 WeakPolarHBondContact O-CA 3.27Å; R1480-G1483 PolarHBondContact O-N 3.15Å; R1480-F1484 PolarHBondContact O-N 3.13Å |
| 1481 | A | 96 | Very high | 96 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -54.8 | 129.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1308 N1310 D1473 S1475 D1477 G1483 F1484 | A1308-A1481 HydrophobicContact CB-CB 3.38Å; N1310-A1481 PolarHBondContact ND2-O 2.64Å; N1310-A1481 VanDerWaalsContact ND2-O 3.12Å; D1473-A1481 CarbonylContact O-C 3.6Å; D1473-A1481 WeakPolarHBondContact O-CA 3.49Å; S1475-A1481 WeakPolarHBondContact O-CB 3.36Å; D1477-A1481 VanDerWaalsContact O-CB 3.29Å; D1477-A1481 WeakPolarHBondContact O-CB 3.47Å; D1477-A1481 PolarHBondContact O-N 3.28Å; A1481-G1483 PolarHBondContact O-N 3.04Å; A1481-F1484 WeakPolarHBondContact O-CB 3.29Å; A1481-F1484 PolarHBondContact O-N 3.26Å |
| 1482 | K | 95.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 52.5 | 35.8 | -171 | -59.9 | -63.9 | -165.6 | -161.4 | 0 | 113.7 | K1301 S1304 N1471 D1473 D1474 R1480 F1484 | K1301-K1482 WeakPolarHBondContact CE-O 3.22Å; K1301-K1482 PolarHBondContact NZ-O 3.47Å; S1304-K1482 WeakPolarHBondContact OG-CB 3.3Å; N1471-K1482 WeakPolarHBondContact O-CA 3.5Å; N1471-K1482 PolarHBondContact OD1-O 3.4Å; D1473-K1482 WeakPolarHBondContact O-CA 3.27Å; D1473-K1482 PolarHBondContact O-N 3.49Å; D1474-K1482 HydrophobicContact CB-CD 4.25Å; D1474-K1482 WeakPolarHBondContact OD2-CE 3.41Å; D1474-K1482 IonicContact OD2-NZ 3.6Å; D1474-K1482 PolarHBondContact OD2-NZ 3.34Å; R1480-K1482 PolarHBondContact O-N 3.37Å; K1482-F1484 PolarHBondContact O-N 3.45Å |
| 1483 | G | 95.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | 69.8 | 29.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1301 Y1469 R1480 A1481 N1485 Y1486 | K1301-G1483 VanDerWaalsContact CE-O 3.29Å; K1301-G1483 WeakPolarHBondContact CE-O 3.48Å; Y1469-G1483 VanDerWaalsContact CE2-CA 3.47Å; R1480-G1483 WeakPolarHBondContact O-CA 3.27Å; R1480-G1483 PolarHBondContact O-N 3.15Å; A1481-G1483 PolarHBondContact O-N 3.04Å; G1483-N1485 PolarHBondContact O-N 3.03Å; G1483-Y1486 WeakPolarHBondContact O-CB 3.4Å; G1483-Y1486 PolarHBondContact O-N 3.34Å |
| 1484 | F | 96.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.1 | 179.5 | -167.3 | -93.7 | 0 | 0 | 0 | 113 | N1310 T1313 A1315 P1478 R1480 A1481 K1482 Y1486 | N1310-F1484 HydrophobicContact CB-CD2 3.88Å; N1310-F1484 HydrophobicContact CB-CE2 3.85Å; N1310-F1484 WeakPolarHBondContact ND2-CD2 3.36Å; T1313-F1484 HydrophobicContact CG2-CZ 4.49Å; T1313-F1484 WeakPolarHBondContact O-CE2 3.28Å; A1315-F1484 VanDerWaalsContact CA-CZ 3.43Å; A1315-F1484 HydrophobicContact CB-CD1 3.9Å; A1315-F1484 HydrophobicContact CB-CD2 4.11Å; A1315-F1484 HydrophobicContact CB-CE1 3.79Å; A1315-F1484 HydrophobicContact CB-CE2 4.01Å; A1315-F1484 HydrophobicContact CB-CG 4.08Å; A1315-F1484 HydrophobicContact CB-CZ 3.85Å; A1315-F1484 WeakPolarHBondContact CB-O 2.85Å; P1478-F1484 WeakPolarHBondContact O-CB 3.44Å; P1478-F1484 VanDerWaalsContact O-CD1 3.29Å; P1478-F1484 WeakPolarHBondContact O-CD1 3.44Å; P1478-F1484 VanDerWaalsContact O-CG 3.25Å; P1478-F1484 WeakPolarHBondContact O-CG 3.36Å; R1480-F1484 PolarHBondContact O-N 3.13Å; A1481-F1484 WeakPolarHBondContact O-CB 3.29Å; A1481-F1484 PolarHBondContact O-N 3.26Å; K1482-F1484 PolarHBondContact O-N 3.45Å; F1484-Y1486 VanDerWaalsContact C-N 3.31Å; F1484-Y1486 PolarHBondContact O-N 3.49Å |
| 1485 | N | 97 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 4.8 | 177.9 | 65.1 | -43.2 | 0 | 0 | 0 | 115.7 | V1466 D1468 K1479 G1483 H1487 N1488 P1490 | V1466-N1485 HydrophobicContact CB-CB 3.76Å; V1466-N1485 HydrophobicContact CG1-CB 4.32Å; V1466-N1485 WeakPolarHBondContact CG1-ND2 3.38Å; V1466-N1485 PolarHBondContact O-ND2 3.39Å; D1468-N1485 VanDerWaalsContact C-ND2 3.3Å; D1468-N1485 PolarHBondContact O-ND2 2.62Å; K1479-N1485 VanDerWaalsContact O-CB 3.29Å; K1479-N1485 WeakPolarHBondContact O-CB 3.45Å; K1479-N1485 PolarHBondContact O-N 3.08Å; K1479-N1485 VanDerWaalsContact O-N 3.16Å; G1483-N1485 PolarHBondContact O-N 3.03Å; N1485-H1487 PolarHBondContact O-N 2.99Å; N1485-N1488 PolarHBondContact O-N 3.27Å; N1485-P1490 WeakPolarHBondContact O-CD 3.42Å; N1485-P1490 WeakPolarHBondContact O-CG 3.37Å |
| 1486 | Y | 97.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 24 Ų | 24 | 9% | 0.094 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | -38.7 | -175.6 | -163.8 | -129.9 | 0 | 0 | 0 | 114.6 | K1301 Y1469 G1483 F1484 W1492 E1546 L1547 | K1301-Y1486 HydrophobicContact CB-CD1 4.5Å; Y1469-Y1486 AromaticContact CD1-CD2 3.8Å; Y1469-Y1486 HydrophobicContact CD1-CD2 3.8Å; Y1469-Y1486 AromaticContact CD1-CE2 3.96Å; Y1469-Y1486 HydrophobicContact CD1-CE2 3.96Å; Y1469-Y1486 AromaticContact CD2-CD2 3.67Å; Y1469-Y1486 HydrophobicContact CD2-CD2 3.67Å; Y1469-Y1486 HydrophobicContact CD2-CG 4.43Å; Y1469-Y1486 AromaticContact CE1-CD2 3.47Å; Y1469-Y1486 HydrophobicContact CE1-CD2 3.47Å; Y1469-Y1486 VanDerWaalsContact CE1-CD2 3.47Å; Y1469-Y1486 AromaticContact CE1-CE2 3.42Å; Y1469-Y1486 HydrophobicContact CE1-CE2 3.42Å; Y1469-Y1486 VanDerWaalsContact CE1-CE2 3.42Å; Y1469-Y1486 AromaticContact CE2-CD2 3.31Å; Y1469-Y1486 HydrophobicContact CE2-CD2 3.31Å; Y1469-Y1486 HydrophobicContact CE2-CE2 4.11Å; Y1469-Y1486 AromaticContact CE2-CG 3.97Å; Y1469-Y1486 HydrophobicContact CE2-CG 3.97Å; Y1469-Y1486 AromaticContact CG-CD2 3.89Å; Y1469-Y1486 HydrophobicContact CG-CD2 3.89Å; Y1469-Y1486 HydrophobicContact CG-CE2 4.5Å; Y1469-Y1486 AromaticContact CZ-CD2 3.2Å; Y1469-Y1486 AromaticContact CZ-CE2 3.5Å; G1483-Y1486 WeakPolarHBondContact O-CB 3.4Å; G1483-Y1486 PolarHBondContact O-N 3.34Å; F1484-Y1486 VanDerWaalsContact C-N 3.31Å; F1484-Y1486 PolarHBondContact O-N 3.49Å; Y1486-W1492 HydrophobicContact CD1-CH2 4.36Å; Y1486-W1492 AromaticContact CD1-CZ2 3.8Å; Y1486-W1492 HydrophobicContact CD1-CZ2 3.8Å; Y1486-W1492 HydrophobicContact CD2-CZ2 4.28Å; Y1486-W1492 AromaticContact CE1-CH2 3.5Å; Y1486-W1492 HydrophobicContact CE1-CH2 3.5Å; Y1486-W1492 VanDerWaalsContact CE1-CH2 3.5Å; Y1486-W1492 AromaticContact CE1-CZ2 3.34Å; Y1486-W1492 HydrophobicContact CE1-CZ2 3.34Å; Y1486-W1492 HydrophobicContact CE2-CH2 4.44Å; Y1486-W1492 AromaticContact CE2-CZ2 3.97Å; Y1486-W1492 HydrophobicContact CE2-CZ2 3.97Å; Y1486-W1492 HydrophobicContact CG-CZ2 4.23Å; Y1486-W1492 AromaticContact CZ-CH2 3.55Å; Y1486-W1492 AromaticContact CZ-CZ2 3.44Å; Y1486-W1492 VanDerWaalsContact CZ-CZ2 3.44Å; Y1486-W1492 PolarHBondContact O-NE1 3.01Å; Y1486-E1546 PolarHBondContact OH-OE1 2.64Å; Y1486-E1546 PolarHBondContact OH-OE2 3.41Å; Y1486-L1547 HydrophobicContact CD2-CD2 3.97Å; Y1486-L1547 HydrophobicContact CE2-CD2 3.31Å |
| 1487 | H | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 21.6 | 179.2 | -60.3 | -66.6 | 0 | 0 | 0 | 113.8 | W1298 M1299 D1300 R1419 T1457 N1485 W1492 | W1298-H1487 AromaticContact CE3-CE1 3.58Å; W1298-H1487 AromaticContact CE3-ND1 3.83Å; W1298-H1487 AromaticContact CZ3-CE1 3.58Å; W1298-H1487 AromaticContact CZ3-ND1 3.49Å; W1298-H1487 WeakPolarHBondContact CZ3-ND1 3.41Å; W1298-H1487 PolarHBondContact O-CE1 2.73Å; W1298-H1487 PolarHBondContact O-NE2 3.42Å; W1298-H1487 VanDerWaalsContact O-NE2 3.16Å; M1299-H1487 WeakPolarHBondContact CA-CD2 3.42Å; M1299-H1487 WeakPolarHBondContact CA-NE2 3.34Å; M1299-H1487 HydrophobicContact CB-CB 3.84Å; M1299-H1487 HydrophobicContact CG-CB 4Å; D1300-H1487 PolarHBondContact N-CD2 2.85Å; D1300-H1487 VanDerWaalsContact N-CD2 3.28Å; D1300-H1487 PolarHBondContact N-NE2 3.3Å; D1300-H1487 IonicContact OD1-NE2 3.81Å; D1300-H1487 PolarHBondContact OD1-NE2 2.77Å; R1419-H1487 PolarHBondContact NH1-O 3.39Å; T1457-H1487 WeakPolarHBondContact CB-O 3.39Å; T1457-H1487 VanDerWaalsContact OG1-C 3.24Å; N1485-H1487 PolarHBondContact O-N 2.99Å; H1487-W1492 AromaticContact CE1-CE2 3.89Å; H1487-W1492 AromaticContact CE1-CH2 3.66Å; H1487-W1492 AromaticContact CE1-CZ2 3.22Å; H1487-W1492 WeakPolarHBondContact CE1-CZ2 3.46Å; H1487-W1492 AromaticContact ND1-CE2 3.78Å; H1487-W1492 AromaticContact ND1-CZ2 3.55Å; H1487-W1492 AromaticContact ND1-NE1 3.96Å |
| 1488 | N | 97 | Very high | 96.8 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.027 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -127.6 | 42.2 | -178.3 | -71.4 | -35.9 | 0 | 0 | 0 | 111.6 | A1315 R1419 T1457 L1458 Y1465 V1466 N1485 | A1315-N1488 PolarHBondContact O-ND2 3.17Å; R1419-N1488 PolarHBondContact NH2-OD1 3.01Å; T1457-N1488 PolarHBondContact OG1-N 3Å; L1458-N1488 HydrophobicContact CD2-CB 4.15Å; Y1465-N1488 CarbonylContact C-O 3.41Å; Y1465-N1488 WeakPolarHBondContact CA-O 3.4Å; V1466-N1488 PolarHBondContact N-O 3.04Å; N1485-N1488 PolarHBondContact O-N 3.27Å |
| 1489 | G | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.059 | C | C | . | . | S | Bend | trans | 148.4 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | T1457 Y1465 | T1457-G1489 PolarHBondContact OG1-N 2.84Å; Y1465-G1489 VanDerWaalsContact CD2-CA 3.49Å |
| 1490 | P | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -55.6 | 155.5 | 177.6 | -25 | 35.2 | 0 | 0 | 0 | 111.7 | T1457 V1466 G1467 N1485 L1547 | T1457-P1490 PolarHBondContact N-O 3.2Å; T1457-P1490 PolarHBondContact OG1-O 3.17Å; V1466-P1490 WeakPolarHBondContact O-CD 3.37Å; G1467-P1490 WeakPolarHBondContact O-CA 3.31Å; N1485-P1490 WeakPolarHBondContact O-CD 3.42Å; N1485-P1490 WeakPolarHBondContact O-CG 3.37Å; P1490-L1547 HydrophobicContact CB-CD1 4.09Å | ||
| 1491 | E | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 110.9 | -168.3 | -67.4 | 167.5 | -176.9 | 0 | 0 | 109.6 | A1451 M1455 K1456 L1547 T1548 N1551 G1552 | A1451-E1491 HydrophobicContact CB-CB 4.31Å; A1451-E1491 HydrophobicContact CB-CG 3.65Å; A1451-E1491 VanDerWaalsContact CB-OE1 3.25Å; A1451-E1491 WeakPolarHBondContact CB-OE1 3.33Å; A1451-E1491 WeakPolarHBondContact CB-OE2 3.44Å; M1455-E1491 CarbonylContact O-C 3.2Å; M1455-E1491 WeakPolarHBondContact O-CA 3.32Å; K1456-E1491 HydrophobicContact CG-CG 3.81Å; E1491-L1547 CarbonylContact O-C 3.24Å; E1491-L1547 WeakPolarHBondContact O-CA 3.23Å; E1491-L1547 WeakPolarHBondContact O-CB 3.43Å; E1491-T1548 WeakPolarHBondContact CB-OG1 3.49Å; E1491-T1548 PolarHBondContact N-O 3.01Å; E1491-T1548 PolarHBondContact O-N 3.15Å; E1491-T1548 PolarHBondContact OE2-OG1 3.45Å; E1491-N1551 VanDerWaalsContact CD-N 3.33Å; E1491-N1551 WeakPolarHBondContact OE1-CA 3.27Å; E1491-N1551 PolarHBondContact OE1-N 3.17Å; E1491-N1551 PolarHBondContact OE2-N 2.61Å; E1491-G1552 PolarHBondContact OE2-N 2.86Å |
| 1492 | W | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 6.5 Ų | 6.5 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.5 | -174.3 | -77.9 | 67.7 | 0 | 0 | 0 | 111.5 | W1298 G1454 M1455 T1457 Y1486 H1487 W1494 P1495 E1546 L1547 W1564 | W1298-W1492 HydrophobicContact CE3-CE3 4.47Å; W1298-W1492 HydrophobicContact CE3-CZ3 4.44Å; W1298-W1492 HydrophobicContact CH2-CB 4.18Å; W1298-W1492 AromaticContact CH2-CD2 3.95Å; W1298-W1492 HydrophobicContact CH2-CD2 3.95Å; W1298-W1492 HydrophobicContact CH2-CE3 4.31Å; W1298-W1492 AromaticContact CH2-CG 3.92Å; W1298-W1492 HydrophobicContact CH2-CG 3.92Å; W1298-W1492 AromaticContact CZ3-CD2 3.5Å; W1298-W1492 HydrophobicContact CZ3-CD2 3.5Å; W1298-W1492 AromaticContact CZ3-CE2 3.79Å; W1298-W1492 AromaticContact CZ3-CE3 3.6Å; W1298-W1492 HydrophobicContact CZ3-CE3 3.6Å; W1298-W1492 AromaticContact CZ3-CG 3.99Å; W1298-W1492 HydrophobicContact CZ3-CG 3.99Å; W1298-W1492 HydrophobicContact CZ3-CH2 4.14Å; W1298-W1492 HydrophobicContact CZ3-CZ2 4.08Å; W1298-W1492 AromaticContact CZ3-CZ3 3.93Å; W1298-W1492 HydrophobicContact CZ3-CZ3 3.93Å; G1454-W1492 CarbonylContact C-O 3.55Å; G1454-W1492 WeakPolarHBondContact CA-O 3.31Å; M1455-W1492 PolarHBondContact N-O 3.02Å; M1455-W1492 PolarHBondContact O-N 2.68Å; T1457-W1492 HydrophobicContact CG2-CB 4.33Å; T1457-W1492 HydrophobicContact CG2-CG 3.8Å; Y1486-W1492 HydrophobicContact CD1-CH2 4.36Å; Y1486-W1492 AromaticContact CD1-CZ2 3.8Å; Y1486-W1492 HydrophobicContact CD1-CZ2 3.8Å; Y1486-W1492 HydrophobicContact CD2-CZ2 4.28Å; Y1486-W1492 AromaticContact CE1-CH2 3.5Å; Y1486-W1492 HydrophobicContact CE1-CH2 3.5Å; Y1486-W1492 VanDerWaalsContact CE1-CH2 3.5Å; Y1486-W1492 AromaticContact CE1-CZ2 3.34Å; Y1486-W1492 HydrophobicContact CE1-CZ2 3.34Å; Y1486-W1492 HydrophobicContact CE2-CH2 4.44Å; Y1486-W1492 AromaticContact CE2-CZ2 3.97Å; Y1486-W1492 HydrophobicContact CE2-CZ2 3.97Å; Y1486-W1492 HydrophobicContact CG-CZ2 4.23Å; Y1486-W1492 AromaticContact CZ-CH2 3.55Å; Y1486-W1492 AromaticContact CZ-CZ2 3.44Å; Y1486-W1492 VanDerWaalsContact CZ-CZ2 3.44Å; Y1486-W1492 PolarHBondContact O-NE1 3.01Å; H1487-W1492 AromaticContact CE1-CE2 3.89Å; H1487-W1492 AromaticContact CE1-CH2 3.66Å; H1487-W1492 AromaticContact CE1-CZ2 3.22Å; H1487-W1492 WeakPolarHBondContact CE1-CZ2 3.46Å; H1487-W1492 AromaticContact ND1-CE2 3.78Å; H1487-W1492 AromaticContact ND1-CZ2 3.55Å; H1487-W1492 AromaticContact ND1-NE1 3.96Å; W1492-W1494 AromaticContact CE3-CD1 3.9Å; W1492-W1494 AromaticContact CE3-NE1 3.98Å; W1492-P1495 HydrophobicContact CB-CG 3.84Å; W1492-P1495 WeakPolarHBondContact O-CD 3.26Å; W1492-E1546 HydrophobicContact CE3-CG 3.96Å; W1492-E1546 HydrophobicContact CH2-CG 3.92Å; W1492-E1546 WeakPolarHBondContact CH2-OE1 3.46Å; W1492-E1546 HydrophobicContact CZ3-CG 3.4Å; W1492-E1546 VanDerWaalsContact CZ3-CG 3.4Å; W1492-E1546 VanDerWaalsContact CZ3-OE1 3.26Å; W1492-E1546 WeakPolarHBondContact CZ3-OE1 3.35Å; W1492-L1547 HydrophobicContact CD2-CB 4.13Å; W1492-L1547 HydrophobicContact CG-CB 4.18Å; W1492-L1547 HydrophobicContact CH2-CD2 4.35Å; W1492-L1547 HydrophobicContact CZ2-CD2 3.84Å; W1492-W1564 HydrophobicContact CE3-CZ2 4.19Å; W1492-W1564 HydrophobicContact CH2-CH2 4.42Å; W1492-W1564 HydrophobicContact CH2-CZ2 4.15Å; W1492-W1564 AromaticContact CZ3-CH2 3.8Å; W1492-W1564 HydrophobicContact CZ3-CH2 3.8Å; W1492-W1564 AromaticContact CZ3-CZ2 3.33Å; W1492-W1564 HydrophobicContact CZ3-CZ2 3.33Å |
| 1493 | Y | 95.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 0% | 0.004 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -78.6 | -47.1 | -174.9 | -131.1 | -67.1 | 0 | 0 | 0 | 112.8 | L1453 P1495 L1496 G1497 S1532 L1544 P1545 E1546 S1565 L1569 | L1453-Y1493 HydrophobicContact CB-CD2 4.49Å; L1453-Y1493 HydrophobicContact CB-CE2 3.76Å; L1453-Y1493 HydrophobicContact CD2-CE2 4.28Å; L1453-Y1493 VanDerWaalsContact CD2-OH 3.3Å; L1453-Y1493 WeakPolarHBondContact CD2-OH 3.33Å; L1453-Y1493 HydrophobicContact CG-CE2 4.49Å; L1453-Y1493 WeakPolarHBondContact O-CD1 3.22Å; L1453-Y1493 VanDerWaalsContact O-CD2 3.23Å; L1453-Y1493 WeakPolarHBondContact O-CD2 3.31Å; L1453-Y1493 VanDerWaalsContact O-CE1 3.25Å; L1453-Y1493 WeakPolarHBondContact O-CE1 3.2Å; L1453-Y1493 WeakPolarHBondContact O-CE2 3.47Å; Y1493-P1495 VanDerWaalsContact C-CD 3.44Å; Y1493-L1496 HydrophobicContact CE1-CD2 4.23Å; Y1493-L1496 WeakPolarHBondContact O-CA 3.1Å; Y1493-L1496 WeakPolarHBondContact O-CB 3.39Å; Y1493-L1496 PolarHBondContact O-N 2.73Å; Y1493-G1497 PolarHBondContact O-N 3.2Å; Y1493-S1532 WeakPolarHBondContact OH-CA 3.22Å; Y1493-S1532 WeakPolarHBondContact OH-CB 3.07Å; Y1493-S1532 PolarHBondContact OH-OG 3.45Å; Y1493-L1544 HydrophobicContact CD1-CD1 4.32Å; Y1493-L1544 HydrophobicContact CD2-CB 4.39Å; Y1493-L1544 HydrophobicContact CE1-CD1 3.94Å; Y1493-L1544 HydrophobicContact CE1-CD2 4.32Å; Y1493-L1544 HydrophobicContact CE2-CB 4.3Å; Y1493-L1544 HydrophobicContact CE2-CD2 4.08Å; Y1493-P1545 HydrophobicContact CD2-CG 4.1Å; Y1493-P1545 HydrophobicContact CE2-CG 4.26Å; Y1493-E1546 PolarHBondContact N-O 3.19Å; Y1493-S1565 VanDerWaalsContact CB-OG 3.29Å; Y1493-S1565 WeakPolarHBondContact CB-OG 3.12Å; Y1493-L1569 HydrophobicContact CD1-CD1 3.76Å; Y1493-L1569 HydrophobicContact CD1-CD2 4.44Å; Y1493-L1569 HydrophobicContact CE1-CD1 3.87Å; Y1493-L1569 HydrophobicContact CE1-CD2 3.76Å; Y1493-L1569 HydrophobicContact CE1-CG 4.5Å |
| 1494 | W | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.9 | -32.6 | -173.9 | 82.4 | -94.2 | 0 | 0 | 0 | 114.4 | I1145 W1196 W1298 I1424 W1492 L1496 G1497 Y1498 W1564 S1568 | I1145-W1494 HydrophobicContact CD1-CH2 4.12Å; I1145-W1494 HydrophobicContact CD1-CZ2 4.28Å; I1145-W1494 HydrophobicContact CD1-CZ3 4.34Å; I1145-W1494 HydrophobicContact CG2-CD2 4.33Å; I1145-W1494 HydrophobicContact CG2-CE3 3.84Å; I1145-W1494 HydrophobicContact CG2-CZ3 4.19Å; W1196-W1494 HydrophobicContact CH2-CZ3 4.4Å; W1196-W1494 HydrophobicContact CZ2-CH2 4.31Å; W1196-W1494 HydrophobicContact CZ2-CZ3 4.39Å; W1298-W1494 HydrophobicContact CB-CZ2 4.45Å; W1298-W1494 AromaticContact CD1-CZ2 3.85Å; W1298-W1494 AromaticContact CD2-CZ2 3.53Å; W1298-W1494 HydrophobicContact CD2-CZ2 3.53Å; W1298-W1494 AromaticContact CE2-CZ2 3.45Å; W1298-W1494 VanDerWaalsContact CE2-CZ2 3.45Å; W1298-W1494 HydrophobicContact CE3-CZ2 4.03Å; W1298-W1494 AromaticContact CE3-NE1 3.67Å; W1298-W1494 AromaticContact CG-CZ2 3.74Å; W1298-W1494 HydrophobicContact CG-CZ2 3.74Å; W1298-W1494 HydrophobicContact CH2-CZ2 4.33Å; W1298-W1494 AromaticContact CH2-NE1 3.81Å; W1298-W1494 AromaticContact CZ2-CZ2 3.85Å; W1298-W1494 HydrophobicContact CZ2-CZ2 3.85Å; W1298-W1494 HydrophobicContact CZ3-CZ2 4.42Å; W1298-W1494 AromaticContact CZ3-NE1 3.54Å; W1298-W1494 AromaticContact NE1-CZ2 3.68Å; I1424-W1494 HydrophobicContact CD1-CH2 3.37Å; I1424-W1494 HydrophobicContact CD1-CZ2 4.45Å; I1424-W1494 HydrophobicContact CD1-CZ3 3.62Å; I1424-W1494 HydrophobicContact CG1-CH2 4.37Å; I1424-W1494 HydrophobicContact CG1-CZ3 4.14Å; W1492-W1494 AromaticContact CE3-CD1 3.9Å; W1492-W1494 AromaticContact CE3-NE1 3.98Å; W1494-L1496 VanDerWaalsContact C-N 3.29Å; W1494-L1496 PolarHBondContact O-N 3.07Å; W1494-G1497 PolarHBondContact O-N 2.78Å; W1494-Y1498 AromaticContact CE3-CD2 3.52Å; W1494-Y1498 HydrophobicContact CE3-CD2 3.52Å; W1494-Y1498 AromaticContact CE3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CE3-CE2 3.68Å; W1494-Y1498 AromaticContact CZ3-CD2 3.57Å; W1494-Y1498 HydrophobicContact CZ3-CD2 3.57Å; W1494-Y1498 AromaticContact CZ3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CZ3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CZ3-CG 4.47Å; W1494-Y1498 PolarHBondContact O-N 3.44Å; W1494-W1564 HydrophobicContact CB-CB 3.76Å; W1494-W1564 HydrophobicContact CB-CD2 4.18Å; W1494-W1564 HydrophobicContact CB-CG 3.73Å; W1494-W1564 WeakPolarHBondContact CB-O 3.42Å; W1494-W1564 AromaticContact CD1-CD2 3.33Å; W1494-W1564 AromaticContact CD1-CE2 3.66Å; W1494-W1564 AromaticContact CD1-CE3 3.42Å; W1494-W1564 VanDerWaalsContact CD1-CE3 3.42Å; W1494-W1564 AromaticContact CD1-CG 3.81Å; W1494-W1564 AromaticContact CD1-CZ3 3.86Å; W1494-W1564 AromaticContact CD1-NE1 3.99Å; W1494-W1564 HydrophobicContact CD2-CD2 4.38Å; W1494-W1564 AromaticContact CD2-CE3 3.96Å; W1494-W1564 HydrophobicContact CD2-CE3 3.96Å; W1494-W1564 AromaticContact CE2-CE3 3.77Å; W1494-W1564 AromaticContact CE2-CZ3 3.91Å; W1494-W1564 HydrophobicContact CG-CB 4.13Å; W1494-W1564 AromaticContact CG-CD2 3.72Å; W1494-W1564 HydrophobicContact CG-CD2 3.72Å; W1494-W1564 AromaticContact CG-CE3 3.78Å; W1494-W1564 HydrophobicContact CG-CE3 3.78Å; W1494-W1564 AromaticContact CG-CG 3.82Å; W1494-W1564 HydrophobicContact CG-CG 3.82Å; W1494-W1564 HydrophobicContact CZ2-CE3 4.46Å; W1494-W1564 HydrophobicContact CZ2-CZ3 4.36Å; W1494-W1564 AromaticContact NE1-CD2 3.87Å; W1494-W1564 AromaticContact NE1-CE3 3.46Å; W1494-W1564 AromaticContact NE1-CH2 3.96Å; W1494-W1564 AromaticContact NE1-CZ3 3.47Å; W1494-S1568 WeakPolarHBondContact CA-OG 3.42Å |
| 1495 | P | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -69.9 | -24.3 | 173.1 | -17.9 | 34.1 | 0 | 0 | 0 | 112.9 | W1298 P1420 M1455 W1492 Y1493 G1497 Y1498 F1499 | W1298-P1495 HydrophobicContact CH2-CG 3.85Å; W1298-P1495 HydrophobicContact CZ2-CG 3.93Å; P1420-P1495 HydrophobicContact CB-CB 3.9Å; P1420-P1495 HydrophobicContact CG-CB 4.06Å; P1420-P1495 HydrophobicContact CG-CG 4.48Å; M1455-P1495 HydrophobicContact CB-CB 4.21Å; W1492-P1495 HydrophobicContact CB-CG 3.84Å; W1492-P1495 WeakPolarHBondContact O-CD 3.26Å; Y1493-P1495 VanDerWaalsContact C-CD 3.44Å; P1495-G1497 VanDerWaalsContact C-N 3.31Å; P1495-Y1498 PolarHBondContact O-N 3.44Å; P1495-F1499 WeakPolarHBondContact O-CB 3.41Å; P1495-F1499 PolarHBondContact O-N 3.45Å |
| 1496 | L | 97.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 4.4 Ų | 4.4 | 1% | 0.01 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 169.2 | 174.1 | 65.4 | 0 | 0 | 0 | 109.9 | L1450 M1455 Y1493 W1494 Y1498 F1499 L1500 | L1450-L1496 HydrophobicContact CD1-CD1 3.58Å; M1455-L1496 HydrophobicContact CG-CB 4.04Å; M1455-L1496 HydrophobicContact CG-CD1 4.44Å; Y1493-L1496 HydrophobicContact CE1-CD2 4.23Å; Y1493-L1496 WeakPolarHBondContact O-CA 3.1Å; Y1493-L1496 WeakPolarHBondContact O-CB 3.39Å; Y1493-L1496 PolarHBondContact O-N 2.73Å; W1494-L1496 VanDerWaalsContact C-N 3.29Å; W1494-L1496 PolarHBondContact O-N 3.07Å; L1496-Y1498 PolarHBondContact O-N 3.03Å; L1496-F1499 HydrophobicContact CD1-CD1 4.32Å; L1496-F1499 WeakPolarHBondContact O-CB 3.37Å; L1496-F1499 PolarHBondContact O-N 3.47Å; L1496-L1500 HydrophobicContact CD1-CD1 4.16Å; L1496-L1500 HydrophobicContact CD1-CD2 4.27Å; L1496-L1500 HydrophobicContact CD1-CG 4.03Å; L1496-L1500 HydrophobicContact CG-CD1 4.1Å; L1496-L1500 HydrophobicContact CG-CG 4.34Å; L1496-L1500 VanDerWaalsContact O-CG 3.29Å; L1496-L1500 WeakPolarHBondContact O-CG 3.45Å; L1496-L1500 PolarHBondContact O-N 3.04Å |
| 1497 | G | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -54.1 | -51.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y1493 W1494 P1495 F1499 L1500 R1501 V1572 | Y1493-G1497 PolarHBondContact O-N 3.2Å; W1494-G1497 PolarHBondContact O-N 2.78Å; P1495-G1497 VanDerWaalsContact C-N 3.31Å; G1497-F1499 PolarHBondContact O-N 3.4Å; G1497-L1500 PolarHBondContact O-N 3.19Å; G1497-R1501 VanDerWaalsContact O-CG 3.26Å; G1497-R1501 WeakPolarHBondContact O-CG 3.41Å; G1497-R1501 PolarHBondContact O-N 2.84Å; G1497-V1572 WeakPolarHBondContact O-CG2 3.46Å |
| 1498 | Y | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 8.2 Ų | 8.2 | 1% | 0.012 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66.6 | -33.8 | 177.9 | -81 | -85.7 | 0 | 0 | 0 | 114 | I1145 W1196 I1424 A1427 L1428 W1494 P1495 L1496 R1501 A1502 | I1145-Y1498 HydrophobicContact CG2-CE2 4.31Å; W1196-Y1498 HydrophobicContact CH2-CE1 4.39Å; W1196-Y1498 HydrophobicContact CH2-CE2 4.39Å; W1196-Y1498 AromaticContact CH2-CZ 3.94Å; W1196-Y1498 AromaticContact CZ3-CZ 3.98Å; W1196-Y1498 WeakPolarHBondContact CZ3-OH 3.19Å; I1424-Y1498 HydrophobicContact CB-CD1 4.16Å; I1424-Y1498 HydrophobicContact CB-CG 4.37Å; I1424-Y1498 HydrophobicContact CG1-CD1 4.13Å; I1424-Y1498 HydrophobicContact CG1-CD2 4.34Å; I1424-Y1498 HydrophobicContact CG1-CG 3.82Å; I1424-Y1498 HydrophobicContact CG2-CD1 3.91Å; I1424-Y1498 HydrophobicContact CG2-CE1 4.01Å; I1424-Y1498 HydrophobicContact CG2-CG 4.41Å; A1427-Y1498 HydrophobicContact CB-CD1 4.1Å; L1428-Y1498 HydrophobicContact CD1-CE1 4.44Å; L1428-Y1498 HydrophobicContact CD2-CE1 4.08Å; L1428-Y1498 HydrophobicContact CG-CE1 4.25Å; W1494-Y1498 AromaticContact CE3-CD2 3.52Å; W1494-Y1498 HydrophobicContact CE3-CD2 3.52Å; W1494-Y1498 AromaticContact CE3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CE3-CE2 3.68Å; W1494-Y1498 AromaticContact CZ3-CD2 3.57Å; W1494-Y1498 HydrophobicContact CZ3-CD2 3.57Å; W1494-Y1498 AromaticContact CZ3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CZ3-CE2 3.68Å; W1494-Y1498 HydrophobicContact CZ3-CG 4.47Å; W1494-Y1498 PolarHBondContact O-N 3.44Å; P1495-Y1498 PolarHBondContact O-N 3.44Å; L1496-Y1498 PolarHBondContact O-N 3.03Å; Y1498-R1501 PolarHBondContact O-N 3.17Å; Y1498-A1502 VanDerWaalsContact O-CB 3.31Å; Y1498-A1502 WeakPolarHBondContact O-CB 3.37Å; Y1498-A1502 PolarHBondContact O-N 3.13Å |
| 1499 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 172.5 | 170.9 | -105.4 | 0 | 0 | 0 | 111.8 | P1423 L1442 A1445 L1450 M1455 P1495 L1496 G1497 A1502 K1503 | P1423-F1499 HydrophobicContact CB-CB 4.39Å; P1423-F1499 HydrophobicContact CG-CD2 4.33Å; L1442-F1499 HydrophobicContact CB-CE2 4.49Å; L1442-F1499 HydrophobicContact CD2-CD2 3.97Å; L1442-F1499 HydrophobicContact CD2-CE2 4.09Å; L1442-F1499 WeakPolarHBondContact O-CE2 3.4Å; A1445-F1499 HydrophobicContact CB-CD2 4.41Å; A1445-F1499 HydrophobicContact CB-CE2 4.08Å; L1450-F1499 HydrophobicContact CD1-CD1 4.35Å; L1450-F1499 HydrophobicContact CD1-CE1 4.16Å; L1450-F1499 HydrophobicContact CD2-CE1 4.43Å; M1455-F1499 HydrophobicContact CE-CB 4.08Å; M1455-F1499 HydrophobicContact CE-CD1 4.46Å; M1455-F1499 HydrophobicContact CE-CD2 3.89Å; M1455-F1499 HydrophobicContact CE-CE2 4.45Å; M1455-F1499 HydrophobicContact CE-CG 3.88Å; M1455-F1499 HydrophobicContact CG-CB 4.39Å; M1455-F1499 HydrophobicContact SD-CB 4.25Å; M1455-F1499 HydrophobicContact SD-CD1 4.08Å; M1455-F1499 HydrophobicContact SD-CG 4.03Å; P1495-F1499 WeakPolarHBondContact O-CB 3.41Å; P1495-F1499 PolarHBondContact O-N 3.45Å; L1496-F1499 HydrophobicContact CD1-CD1 4.32Å; L1496-F1499 WeakPolarHBondContact O-CB 3.37Å; L1496-F1499 PolarHBondContact O-N 3.47Å; G1497-F1499 PolarHBondContact O-N 3.4Å; F1499-A1502 PolarHBondContact O-N 3.41Å; F1499-K1503 HydrophobicContact CE1-CD 3.81Å; F1499-K1503 HydrophobicContact CE2-CD 4.17Å; F1499-K1503 HydrophobicContact CE2-CG 4.4Å; F1499-K1503 HydrophobicContact CZ-CD 3.6Å; F1499-K1503 HydrophobicContact CZ-CG 4.3Å; F1499-K1503 PolarHBondContact O-N 2.76Å; F1499-K1503 VanDerWaalsContact O-N 3.09Å |
| 1500 | L | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.5 | -62.7 | 178 | 0 | 0 | 0 | 111.2 | L1496 G1497 A1502 K1503 L1504 V1525 L1528 L1529 V1572 | L1496-L1500 HydrophobicContact CD1-CD1 4.16Å; L1496-L1500 HydrophobicContact CD1-CD2 4.27Å; L1496-L1500 HydrophobicContact CD1-CG 4.03Å; L1496-L1500 HydrophobicContact CG-CD1 4.1Å; L1496-L1500 HydrophobicContact CG-CG 4.34Å; L1496-L1500 VanDerWaalsContact O-CG 3.29Å; L1496-L1500 WeakPolarHBondContact O-CG 3.45Å; L1496-L1500 PolarHBondContact O-N 3.04Å; G1497-L1500 PolarHBondContact O-N 3.19Å; L1500-A1502 VanDerWaalsContact C-N 3.35Å; L1500-A1502 PolarHBondContact O-N 3.26Å; L1500-K1503 PolarHBondContact O-N 3.47Å; L1500-L1504 WeakPolarHBondContact O-CG 3.45Å; L1500-L1504 PolarHBondContact O-N 2.69Å; L1500-V1525 HydrophobicContact CB-CG1 4.15Å; L1500-V1525 HydrophobicContact CB-CG2 4.43Å; L1500-V1525 HydrophobicContact CD1-CG1 4.36Å; L1500-V1525 HydrophobicContact CD2-CB 4.48Å; L1500-V1525 HydrophobicContact CD2-CG1 4.35Å; L1500-V1525 HydrophobicContact CD2-CG2 4.1Å; L1500-L1528 HydrophobicContact CD2-CB 4.03Å; L1500-L1528 HydrophobicContact CD2-CD1 3.56Å; L1500-L1528 HydrophobicContact CD2-CG 4.45Å; L1500-L1529 HydrophobicContact CD1-CD2 3.94Å; L1500-L1529 HydrophobicContact CD1-CG 4.33Å; L1500-V1572 HydrophobicContact CB-CG1 4.12Å; L1500-V1572 HydrophobicContact CB-CG2 3.86Å; L1500-V1572 HydrophobicContact CD1-CG1 4.35Å; L1500-V1572 HydrophobicContact CD1-CG2 4.34Å |
| 1501 | R | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 3% | 0.03 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.7 | -67.5 | -179 | 72.8 | -136.6 | -24.3 | 111.8 | A1427 G1497 Y1498 K1503 L1504 T1505 E1571 V1572 D1575 | A1427-R1501 HydrophobicContact CB-CB 3.98Å; G1497-R1501 VanDerWaalsContact O-CG 3.26Å; G1497-R1501 WeakPolarHBondContact O-CG 3.41Å; G1497-R1501 PolarHBondContact O-N 2.84Å; Y1498-R1501 PolarHBondContact O-N 3.17Å; R1501-K1503 VanDerWaalsContact C-N 3.35Å; R1501-K1503 PolarHBondContact O-N 2.93Å; R1501-L1504 PolarHBondContact O-N 3.18Å; R1501-T1505 PolarHBondContact O-N 3.06Å; R1501-T1505 PolarHBondContact O-OG1 3.07Å; R1501-T1505 VanDerWaalsContact O-OG1 3.1Å; R1501-E1571 IonicContact CZ-OE2 3.91Å; R1501-E1571 IonicContact NE-OE2 3.92Å; R1501-E1571 IonicContact NH1-OE2 3.08Å; R1501-E1571 PolarHBondContact NH1-OE2 3.39Å; R1501-V1572 HydrophobicContact CG-CG2 3.72Å; R1501-D1575 IonicContact CZ-OD2 2.66Å; R1501-D1575 VanDerWaalsContact CZ-OD2 3.29Å; R1501-D1575 IonicContact NE-OD2 3.24Å; R1501-D1575 PolarHBondContact NE-OD2 3.18Å; R1501-D1575 IonicContact NH2-OD1 3.07Å; R1501-D1575 IonicContact NH2-OD2 3.7Å; R1501-D1575 PolarHBondContact NH2-OD2 2.93Å |
| 1502 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1423 I1426 A1427 L1442 Y1498 F1499 L1500 L1504 T1505 V1506 | P1423-A1502 HydrophobicContact CB-CB 3.94Å; P1423-A1502 WeakPolarHBondContact O-CB 3.34Å; I1426-A1502 HydrophobicContact CB-CB 3.99Å; I1426-A1502 HydrophobicContact CG2-CB 3.85Å; A1427-A1502 HydrophobicContact CB-CB 4.22Å; L1442-A1502 HydrophobicContact CD1-CB 4.09Å; L1442-A1502 HydrophobicContact CD2-CB 3.72Å; Y1498-A1502 VanDerWaalsContact O-CB 3.31Å; Y1498-A1502 WeakPolarHBondContact O-CB 3.37Å; Y1498-A1502 PolarHBondContact O-N 3.13Å; F1499-A1502 PolarHBondContact O-N 3.41Å; L1500-A1502 VanDerWaalsContact C-N 3.35Å; L1500-A1502 PolarHBondContact O-N 3.26Å; A1502-L1504 PolarHBondContact O-N 3.45Å; A1502-T1505 PolarHBondContact O-N 2.89Å; A1502-V1506 WeakPolarHBondContact O-CG2 3.35Å; A1502-V1506 PolarHBondContact O-N 3.45Å |
| 1503 | K | 97.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 27 Ų | 27 | 12% | 0.122 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.2 | -71.6 | -169.6 | 63.5 | 145.1 | 0 | 111.6 | L1442 F1499 L1500 R1501 A1507 T1521 E1524 | L1442-K1503 HydrophobicContact CB-CG 4.42Å; L1442-K1503 HydrophobicContact CD1-CG 4.21Å; F1499-K1503 HydrophobicContact CE1-CD 3.81Å; F1499-K1503 HydrophobicContact CE2-CD 4.17Å; F1499-K1503 HydrophobicContact CE2-CG 4.4Å; F1499-K1503 HydrophobicContact CZ-CD 3.6Å; F1499-K1503 HydrophobicContact CZ-CG 4.3Å; F1499-K1503 PolarHBondContact O-N 2.76Å; F1499-K1503 VanDerWaalsContact O-N 3.09Å; L1500-K1503 PolarHBondContact O-N 3.47Å; R1501-K1503 VanDerWaalsContact C-N 3.35Å; R1501-K1503 PolarHBondContact O-N 2.93Å; K1503-A1507 VanDerWaalsContact O-CB 3.27Å; K1503-A1507 WeakPolarHBondContact O-CB 3.42Å; K1503-A1507 PolarHBondContact O-N 3.31Å; K1503-T1521 HydrophobicContact CB-CG2 3.97Å; K1503-E1524 WeakPolarHBondContact CE-OE2 3.39Å; K1503-E1524 IonicContact NZ-OE1 3.27Å; K1503-E1524 PolarHBondContact NZ-OE1 3.34Å; K1503-E1524 IonicContact NZ-OE2 3.41Å; K1503-E1524 PolarHBondContact NZ-OE2 3.12Å |
| 1504 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.5 | -67.8 | 173.6 | 0 | 0 | 0 | 111.8 | L1500 R1501 A1502 A1507 R1508 W1518 T1521 V1522 V1525 V1572 D1575 L1576 F1579 | L1500-L1504 WeakPolarHBondContact O-CG 3.45Å; L1500-L1504 PolarHBondContact O-N 2.69Å; R1501-L1504 PolarHBondContact O-N 3.18Å; A1502-L1504 PolarHBondContact O-N 3.45Å; L1504-A1507 PolarHBondContact O-N 3.07Å; L1504-R1508 WeakPolarHBondContact O-CB 3.43Å; L1504-R1508 PolarHBondContact O-N 3.42Å; L1504-W1518 HydrophobicContact CD2-CH2 4.27Å; L1504-W1518 HydrophobicContact CD2-CZ3 4.28Å; L1504-W1518 WeakPolarHBondContact O-CZ3 3.48Å; L1504-T1521 HydrophobicContact CD2-CG2 4.43Å; L1504-V1522 HydrophobicContact CD2-CG2 4.24Å; L1504-V1525 HydrophobicContact CD1-CG1 4.28Å; L1504-V1525 HydrophobicContact CD2-CB 4.41Å; L1504-V1525 HydrophobicContact CD2-CG2 4.02Å; L1504-V1525 HydrophobicContact CG-CG2 4.09Å; L1504-V1572 HydrophobicContact CD1-CG1 4.23Å; L1504-D1575 HydrophobicContact CD1-CB 4.42Å; L1504-L1576 HydrophobicContact CD1-CD2 3.9Å; L1504-L1576 HydrophobicContact CD1-CG 3.86Å; L1504-L1576 HydrophobicContact CD2-CD2 3.65Å; L1504-L1576 HydrophobicContact CG-CD2 4.44Å; L1504-F1579 HydrophobicContact CB-CD2 4.17Å; L1504-F1579 HydrophobicContact CB-CE2 4.06Å |
| 1505 | T | 96.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 179.7 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | P1430 R1501 A1502 A1507 R1508 L1509 | P1430-T1505 HydrophobicContact CB-CG2 3.75Å; P1430-T1505 HydrophobicContact CG-CG2 3.69Å; R1501-T1505 PolarHBondContact O-N 3.06Å; R1501-T1505 PolarHBondContact O-OG1 3.07Å; R1501-T1505 VanDerWaalsContact O-OG1 3.1Å; A1502-T1505 PolarHBondContact O-N 2.89Å; T1505-A1507 PolarHBondContact O-N 3.37Å; T1505-R1508 PolarHBondContact O-N 3.4Å; T1505-L1509 HydrophobicContact CG2-CD1 4.27Å; T1505-L1509 WeakPolarHBondContact O-CG 3.42Å; T1505-L1509 PolarHBondContact O-N 3.29Å |
| 1506 | V | 96.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | I1426 A1438 E1439 L1442 A1502 R1508 L1509 R1510 | I1426-V1506 HydrophobicContact CG2-CG2 3.61Å; A1438-V1506 HydrophobicContact CB-CG2 4.1Å; E1439-V1506 HydrophobicContact CB-CG1 4.36Å; L1442-V1506 HydrophobicContact CD1-CB 4.46Å; L1442-V1506 HydrophobicContact CD1-CG2 3.91Å; A1502-V1506 WeakPolarHBondContact O-CG2 3.35Å; A1502-V1506 PolarHBondContact O-N 3.45Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 2.87Å; V1506-L1509 PolarHBondContact O-N 3.02Å; V1506-R1510 PolarHBondContact O-N 3.37Å |
| 1507 | A | 95 | Very high | 94.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1503 L1504 T1505 R1510 K1511 W1518 T1521 | K1503-A1507 VanDerWaalsContact O-CB 3.27Å; K1503-A1507 WeakPolarHBondContact O-CB 3.42Å; K1503-A1507 PolarHBondContact O-N 3.31Å; L1504-A1507 PolarHBondContact O-N 3.07Å; T1505-A1507 PolarHBondContact O-N 3.37Å; A1507-R1510 CarbonylContact O-C 3.56Å; A1507-R1510 PolarHBondContact O-N 3.31Å; A1507-K1511 PolarHBondContact O-N 3.26Å; A1507-W1518 HydrophobicContact CB-CE3 3.83Å; A1507-W1518 HydrophobicContact CB-CZ3 4.35Å; A1507-T1521 HydrophobicContact CB-CG2 3.82Å |
| 1508 | R | 94.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 39.3 Ų | 39.3 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 175.4 | 173.3 | -174.7 | 154.2 | 173.1 | -1.1 | 111 | L1504 T1505 V1506 R1510 K1511 W1518 F1579 | L1504-R1508 WeakPolarHBondContact O-CB 3.43Å; L1504-R1508 PolarHBondContact O-N 3.42Å; T1505-R1508 PolarHBondContact O-N 3.4Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 2.87Å; R1508-R1510 PolarHBondContact O-N 3.01Å; R1508-K1511 WeakPolarHBondContact O-CB 3.45Å; R1508-K1511 PolarHBondContact O-N 3.08Å; R1508-W1518 HydrophobicContact CB-CE3 4.25Å; R1508-W1518 HydrophobicContact CB-CH2 4.44Å; R1508-W1518 HydrophobicContact CB-CZ3 3.76Å; R1508-F1579 HydrophobicContact CB-CD2 3.95Å; R1508-F1579 HydrophobicContact CB-CE2 4.36Å; R1508-F1579 VanDerWaalsContact CD-CG 3.44Å; R1508-F1579 HydrophobicContact CG-CD2 4.24Å; R1508-F1579 HydrophobicContact CG-CG 4.37Å |
| 1509 | L | 93.8 | Very high | 94 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -25 | 179.4 | -69.9 | 173.2 | 0 | 0 | 0 | 112.1 | P1430 L1435 T1505 V1506 | P1430-L1509 HydrophobicContact CB-CD1 3.59Å; P1430-L1509 HydrophobicContact CG-CD1 3.88Å; L1435-L1509 HydrophobicContact CD1-CB 4.1Å; L1435-L1509 HydrophobicContact CD2-CD1 3.95Å; T1505-L1509 HydrophobicContact CG2-CD1 4.27Å; T1505-L1509 WeakPolarHBondContact O-CG 3.42Å; T1505-L1509 PolarHBondContact O-N 3.29Å; V1506-L1509 PolarHBondContact O-N 3.02Å |
| 1510 | R | 92.7 | Very high | 93.7 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -3.4 | 174.4 | -66.4 | -176 | 167.6 | -138.8 | -21.4 | 114.3 | L1435 D1436 E1439 V1506 A1507 R1508 A1512 A1513 N1514 | L1435-R1510 HydrophobicContact CD1-CG 4.35Å; D1436-R1510 IonicContact OD1-CZ 2.82Å; D1436-R1510 IonicContact OD1-NH1 3.8Å; D1436-R1510 PolarHBondContact OD1-NH1 3.12Å; D1436-R1510 IonicContact OD1-NH2 3.87Å; D1436-R1510 PolarHBondContact OD1-NH2 2.77Å; D1436-R1510 IonicContact OD2-NH2 3.2Å; D1436-R1510 PolarHBondContact OD2-NH2 3.26Å; E1439-R1510 IonicContact OE2-CZ 3.49Å; E1439-R1510 IonicContact OE2-NE 2.74Å; E1439-R1510 IonicContact OE2-NH1 2.92Å; E1439-R1510 PolarHBondContact OE2-NH1 3.41Å; V1506-R1510 PolarHBondContact O-N 3.37Å; A1507-R1510 CarbonylContact O-C 3.56Å; A1507-R1510 PolarHBondContact O-N 3.31Å; R1508-R1510 PolarHBondContact O-N 3.01Å; R1510-A1512 VanDerWaalsContact C-N 3.26Å; R1510-A1512 PolarHBondContact O-N 3.49Å; R1510-A1512 VanDerWaalsContact O-N 3.12Å; R1510-A1513 CarbonylContact O-C 3.29Å; R1510-A1513 PolarHBondContact O-N 2.76Å; R1510-N1514 PolarHBondContact O-N 2.88Å |
| 1511 | K | 88.9 | Confident | 93.5 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 22% | 0.222 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -40.5 | -170 | -175.9 | 176.1 | -176.9 | 175.1 | 0 | 112.8 | A1507 R1508 N1514 P1515 W1518 F1579 E1580 | A1507-K1511 PolarHBondContact O-N 3.26Å; R1508-K1511 WeakPolarHBondContact O-CB 3.45Å; R1508-K1511 PolarHBondContact O-N 3.08Å; K1511-N1514 CarbonylContact O-C 3.56Å; K1511-P1515 WeakPolarHBondContact O-CA 3.44Å; K1511-W1518 HydrophobicContact CB-CB 4.35Å; K1511-W1518 HydrophobicContact CB-CG 4.46Å; K1511-W1518 HydrophobicContact CD-CD2 4.02Å; K1511-W1518 HydrophobicContact CD-CG 3.95Å; K1511-W1518 HydrophobicContact CG-CB 4Å; K1511-W1518 HydrophobicContact CG-CD2 4.32Å; K1511-W1518 HydrophobicContact CG-CG 3.86Å; K1511-F1579 PolarHBondContact NZ-O 3.27Å; K1511-E1580 IonicContact NZ-OE1 3.05Å; K1511-E1580 IonicContact NZ-OE2 3.81Å; K1511-E1580 PolarHBondContact NZ-OE2 3.48Å |
| 1512 | A | 88.2 | Confident | 93.3 | Very high | 107 Ų | 107 | 52.8 Ų | 52.8 | 88% | 0.884 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | R1510 | R1510-A1512 VanDerWaalsContact C-N 3.26Å; R1510-A1512 PolarHBondContact O-N 3.49Å; R1510-A1512 VanDerWaalsContact O-N 3.12Å |
| 1513 | A | 91 | Very high | 93 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 78% | 0.777 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -29.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | R1510 | R1510-A1513 CarbonylContact O-C 3.29Å; R1510-A1513 PolarHBondContact O-N 2.76Å |
| 1514 | N | 91.8 | Very high | 92.8 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | trans | -139.7 | 72.7 | -176.3 | -172.5 | 5.7 | 0 | 0 | 0 | 112.2 | R1510 K1511 V1516 G1517 W1518 | R1510-N1514 PolarHBondContact O-N 2.88Å; K1511-N1514 CarbonylContact O-C 3.56Å; N1514-V1516 VanDerWaalsContact C-N 3.26Å; N1514-V1516 PolarHBondContact O-N 2.93Å; N1514-G1517 PolarHBondContact O-N 3.34Å; N1514-G1517 PolarHBondContact OD1-N 2.68Å; N1514-W1518 PolarHBondContact O-N 2.88Å | ||
| 1515 | P | 90.4 | Very high | 92.8 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -27.1 | -178.5 | 24.8 | -34.2 | 0 | 0 | 0 | 113.4 | K1511 K1519 | K1511-P1515 WeakPolarHBondContact O-CA 3.44Å; P1515-K1519 PolarHBondContact O-N 3.36Å |
| 1516 | V | 91.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.4 | -43.5 | 175 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | N1514 W1518 K1519 N1520 | N1514-V1516 VanDerWaalsContact C-N 3.26Å; N1514-V1516 PolarHBondContact O-N 2.93Å; V1516-W1518 VanDerWaalsContact C-N 3.29Å; V1516-W1518 PolarHBondContact O-N 3.4Å; V1516-K1519 PolarHBondContact O-N 2.82Å; V1516-N1520 PolarHBondContact O-N 2.66Å |
| 1517 | G | 91.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | N1514 N1520 T1521 | N1514-G1517 PolarHBondContact O-N 3.34Å; N1514-G1517 PolarHBondContact OD1-N 2.68Å; G1517-N1520 PolarHBondContact O-N 2.73Å; G1517-T1521 WeakPolarHBondContact O-CB 3.5Å; G1517-T1521 PolarHBondContact O-N 3.4Å; G1517-T1521 PolarHBondContact O-OG1 2.92Å |
| 1518 | W | 93 | Very high | 92.5 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 2% | 0.023 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.7 | -53.8 | 171.5 | 170.2 | -104.6 | 0 | 0 | 0 | 112 | L1504 A1507 R1508 K1511 N1514 V1516 N1520 T1521 V1522 F1579 E1580 | L1504-W1518 HydrophobicContact CD2-CH2 4.27Å; L1504-W1518 HydrophobicContact CD2-CZ3 4.28Å; L1504-W1518 WeakPolarHBondContact O-CZ3 3.48Å; A1507-W1518 HydrophobicContact CB-CE3 3.83Å; A1507-W1518 HydrophobicContact CB-CZ3 4.35Å; R1508-W1518 HydrophobicContact CB-CE3 4.25Å; R1508-W1518 HydrophobicContact CB-CH2 4.44Å; R1508-W1518 HydrophobicContact CB-CZ3 3.76Å; K1511-W1518 HydrophobicContact CB-CB 4.35Å; K1511-W1518 HydrophobicContact CB-CG 4.46Å; K1511-W1518 HydrophobicContact CD-CD2 4.02Å; K1511-W1518 HydrophobicContact CD-CG 3.95Å; K1511-W1518 HydrophobicContact CG-CB 4Å; K1511-W1518 HydrophobicContact CG-CD2 4.32Å; K1511-W1518 HydrophobicContact CG-CG 3.86Å; N1514-W1518 PolarHBondContact O-N 2.88Å; V1516-W1518 VanDerWaalsContact C-N 3.29Å; V1516-W1518 PolarHBondContact O-N 3.4Å; W1518-N1520 VanDerWaalsContact C-N 3.33Å; W1518-N1520 PolarHBondContact O-N 3.14Å; W1518-T1521 PolarHBondContact O-N 3.4Å; W1518-T1521 VanDerWaalsContact O-N 3.15Å; W1518-V1522 HydrophobicContact CD2-CG2 4.05Å; W1518-V1522 HydrophobicContact CE3-CG2 4.43Å; W1518-V1522 HydrophobicContact CH2-CG2 4.01Å; W1518-V1522 HydrophobicContact CZ2-CG2 3.6Å; W1518-V1522 HydrophobicContact CZ3-CG2 4.4Å; W1518-V1522 WeakPolarHBondContact O-CG2 3.41Å; W1518-V1522 PolarHBondContact O-N 2.6Å; W1518-F1579 HydrophobicContact CH2-CB 3.63Å; W1518-F1579 HydrophobicContact CH2-CD2 4.01Å; W1518-F1579 HydrophobicContact CH2-CG 4.36Å; W1518-F1579 HydrophobicContact CZ2-CB 4.14Å; W1518-F1579 HydrophobicContact CZ3-CD2 4.34Å; W1518-E1580 HydrophobicContact CZ2-CG 4.19Å; W1518-E1580 PolarHBondContact NE1-OE1 3.3Å |
| 1519 | K | 90.8 | Very high | 92.5 | Very high | 151 Ų | 151 | 56.6 Ų | 56.6 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 179.5 | -72.8 | -174.7 | 176.4 | -174.8 | 0 | 112.6 | P1515 V1516 T1521 V1522 S1523 | P1515-K1519 PolarHBondContact O-N 3.36Å; V1516-K1519 PolarHBondContact O-N 2.82Å; K1519-T1521 VanDerWaalsContact C-N 3.34Å; K1519-V1522 PolarHBondContact O-N 3.38Å; K1519-S1523 WeakPolarHBondContact O-CB 3.42Å; K1519-S1523 PolarHBondContact O-N 3.11Å |
| 1520 | N | 92.7 | Very high | 92.5 | Very high | 100 Ų | 100 | 52.4 Ų | 52.4 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.6 | -70.6 | -9.7 | 0 | 0 | 0 | 111.5 | V1516 G1517 W1518 S1523 E1524 | V1516-N1520 PolarHBondContact O-N 2.66Å; G1517-N1520 PolarHBondContact O-N 2.73Å; W1518-N1520 VanDerWaalsContact C-N 3.33Å; W1518-N1520 PolarHBondContact O-N 3.14Å; N1520-S1523 PolarHBondContact O-N 2.81Å; N1520-E1524 WeakPolarHBondContact O-CB 3.44Å; N1520-E1524 PolarHBondContact O-N 3.33Å |
| 1521 | T | 94.7 | Very high | 92.6 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | K1503 L1504 A1507 G1517 W1518 K1519 E1524 V1525 | K1503-T1521 HydrophobicContact CB-CG2 3.97Å; L1504-T1521 HydrophobicContact CD2-CG2 4.43Å; A1507-T1521 HydrophobicContact CB-CG2 3.82Å; G1517-T1521 WeakPolarHBondContact O-CB 3.5Å; G1517-T1521 PolarHBondContact O-N 3.4Å; G1517-T1521 PolarHBondContact O-OG1 2.92Å; W1518-T1521 PolarHBondContact O-N 3.4Å; W1518-T1521 VanDerWaalsContact O-N 3.15Å; K1519-T1521 VanDerWaalsContact C-N 3.34Å; T1521-E1524 PolarHBondContact O-N 2.78Å; T1521-V1525 HydrophobicContact CG2-CG2 4.35Å; T1521-V1525 WeakPolarHBondContact O-CB 3.46Å; T1521-V1525 VanDerWaalsContact O-CG2 3.29Å; T1521-V1525 WeakPolarHBondContact O-CG2 3.4Å; T1521-V1525 PolarHBondContact O-N 2.84Å |
| 1522 | V | 93.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 175.2 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L1504 W1518 K1519 E1524 V1525 Q1526 L1576 | L1504-V1522 HydrophobicContact CD2-CG2 4.24Å; W1518-V1522 HydrophobicContact CD2-CG2 4.05Å; W1518-V1522 HydrophobicContact CE3-CG2 4.43Å; W1518-V1522 HydrophobicContact CH2-CG2 4.01Å; W1518-V1522 HydrophobicContact CZ2-CG2 3.6Å; W1518-V1522 HydrophobicContact CZ3-CG2 4.4Å; W1518-V1522 WeakPolarHBondContact O-CG2 3.41Å; W1518-V1522 PolarHBondContact O-N 2.6Å; K1519-V1522 PolarHBondContact O-N 3.38Å; V1522-E1524 VanDerWaalsContact C-N 3.34Å; V1522-E1524 PolarHBondContact O-N 2.66Å; V1522-V1525 PolarHBondContact O-N 3.44Å; V1522-Q1526 HydrophobicContact CG1-CG 4.46Å; V1522-Q1526 WeakPolarHBondContact O-CB 3.37Å; V1522-Q1526 VanDerWaalsContact O-CG 3.27Å; V1522-Q1526 WeakPolarHBondContact O-CG 3.33Å; V1522-Q1526 PolarHBondContact O-N 3.35Å; V1522-L1576 HydrophobicContact CB-CD2 4.46Å; V1522-L1576 HydrophobicContact CG1-CD2 3.99Å; V1522-L1576 HydrophobicContact CG2-CD2 4.2Å |
| 1523 | S | 92.2 | Very high | 93.1 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57 | -46 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 112 | G48 K1519 N1520 Q1526 K1527 | G48-S1523 WeakPolarHBondContact O-CB 3.03Å; G48-S1523 PolarHBondContact O-OG 2.87Å; K1519-S1523 WeakPolarHBondContact O-CB 3.42Å; K1519-S1523 PolarHBondContact O-N 3.11Å; N1520-S1523 PolarHBondContact O-N 2.81Å; S1523-Q1526 PolarHBondContact O-N 3.15Å; S1523-K1527 VanDerWaalsContact O-CG 3.32Å; S1523-K1527 WeakPolarHBondContact O-CG 3.45Å; S1523-K1527 PolarHBondContact O-N 3.13Å |
| 1524 | E | 93.9 | Very high | 93.2 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 178.6 | -168.4 | -169.9 | 161 | 0 | 0 | 112 | K1503 N1520 T1521 V1522 Q1526 K1527 L1528 | K1503-E1524 WeakPolarHBondContact CE-OE2 3.39Å; K1503-E1524 IonicContact NZ-OE1 3.27Å; K1503-E1524 PolarHBondContact NZ-OE1 3.34Å; K1503-E1524 IonicContact NZ-OE2 3.41Å; K1503-E1524 PolarHBondContact NZ-OE2 3.12Å; N1520-E1524 WeakPolarHBondContact O-CB 3.44Å; N1520-E1524 PolarHBondContact O-N 3.33Å; T1521-E1524 PolarHBondContact O-N 2.78Å; V1522-E1524 VanDerWaalsContact C-N 3.34Å; V1522-E1524 PolarHBondContact O-N 2.66Å; E1524-Q1526 VanDerWaalsContact C-N 3.32Å; E1524-Q1526 PolarHBondContact O-N 2.86Å; E1524-K1527 WeakPolarHBondContact O-CB 3.39Å; E1524-K1527 PolarHBondContact O-N 3.42Å; E1524-L1528 HydrophobicContact CG-CD1 4.43Å; E1524-L1528 WeakPolarHBondContact O-CG 3.39Å; E1524-L1528 PolarHBondContact O-N 3.23Å; E1524-L1528 VanDerWaalsContact O-N 3.07Å |
| 1525 | V | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.8 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | L1500 L1504 T1521 V1522 K1527 L1528 L1529 V1572 L1576 | L1500-V1525 HydrophobicContact CB-CG1 4.15Å; L1500-V1525 HydrophobicContact CB-CG2 4.43Å; L1500-V1525 HydrophobicContact CD1-CG1 4.36Å; L1500-V1525 HydrophobicContact CD2-CB 4.48Å; L1500-V1525 HydrophobicContact CD2-CG1 4.35Å; L1500-V1525 HydrophobicContact CD2-CG2 4.1Å; L1504-V1525 HydrophobicContact CD1-CG1 4.28Å; L1504-V1525 HydrophobicContact CD2-CB 4.41Å; L1504-V1525 HydrophobicContact CD2-CG2 4.02Å; L1504-V1525 HydrophobicContact CG-CG2 4.09Å; T1521-V1525 HydrophobicContact CG2-CG2 4.35Å; T1521-V1525 WeakPolarHBondContact O-CB 3.46Å; T1521-V1525 VanDerWaalsContact O-CG2 3.29Å; T1521-V1525 WeakPolarHBondContact O-CG2 3.4Å; T1521-V1525 PolarHBondContact O-N 2.84Å; V1522-V1525 PolarHBondContact O-N 3.44Å; V1525-K1527 PolarHBondContact O-N 2.95Å; V1525-L1528 PolarHBondContact O-N 3.05Å; V1525-L1529 HydrophobicContact CG1-CD1 4.41Å; V1525-L1529 WeakPolarHBondContact O-CG 3.38Å; V1525-L1529 PolarHBondContact O-N 3.16Å; V1525-V1572 HydrophobicContact CG1-CG1 3.7Å; V1525-L1576 HydrophobicContact CG1-CD1 4.32Å |
| 1526 | Q | 93.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.3 | -70.7 | 176.2 | -15 | 0 | 0 | 112.2 | F47 T88 F89 V1522 S1523 E1524 L1528 L1529 G1530 L1576 | F47-Q1526 VanDerWaalsContact CB-O 3.31Å; F47-Q1526 WeakPolarHBondContact CB-O 3.29Å; T88-Q1526 VanDerWaalsContact OG1-CD 3.24Å; T88-Q1526 PolarHBondContact OG1-NE2 3.24Å; T88-Q1526 PolarHBondContact OG1-OE1 2.9Å; T88-Q1526 VanDerWaalsContact OG1-OE1 3.11Å; F89-Q1526 HydrophobicContact CE1-CB 3.98Å; F89-Q1526 HydrophobicContact CE1-CG 3.79Å; F89-Q1526 HydrophobicContact CZ-CG 4.09Å; V1522-Q1526 HydrophobicContact CG1-CG 4.46Å; V1522-Q1526 WeakPolarHBondContact O-CB 3.37Å; V1522-Q1526 VanDerWaalsContact O-CG 3.27Å; V1522-Q1526 WeakPolarHBondContact O-CG 3.33Å; V1522-Q1526 PolarHBondContact O-N 3.35Å; S1523-Q1526 PolarHBondContact O-N 3.15Å; E1524-Q1526 VanDerWaalsContact C-N 3.32Å; E1524-Q1526 PolarHBondContact O-N 2.86Å; Q1526-L1528 VanDerWaalsContact C-N 3.3Å; Q1526-L1528 PolarHBondContact O-N 3.42Å; Q1526-L1529 PolarHBondContact O-N 3.01Å; Q1526-G1530 PolarHBondContact O-N 2.92Å; Q1526-L1576 HydrophobicContact CG-CD1 4.3Å |
| 1527 | K | 93.6 | Very high | 93.4 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 173.5 | -73.4 | 170.1 | -173.9 | -175.3 | 0 | 111.5 | F47 Y49 S1523 E1524 V1525 L1529 G1530 P1531 | F47-K1527 WeakPolarHBondContact O-CA 3.36Å; F47-K1527 WeakPolarHBondContact O-CG 3.31Å; Y49-K1527 HydrophobicContact CD2-CD 4.4Å; Y49-K1527 HydrophobicContact CD2-CG 4.13Å; Y49-K1527 HydrophobicContact CE1-CD 4.49Å; Y49-K1527 HydrophobicContact CE2-CD 3.94Å; Y49-K1527 HydrophobicContact CE2-CG 3.82Å; S1523-K1527 VanDerWaalsContact O-CG 3.32Å; S1523-K1527 WeakPolarHBondContact O-CG 3.45Å; S1523-K1527 PolarHBondContact O-N 3.13Å; E1524-K1527 WeakPolarHBondContact O-CB 3.39Å; E1524-K1527 PolarHBondContact O-N 3.42Å; V1525-K1527 PolarHBondContact O-N 2.95Å; K1527-L1529 PolarHBondContact O-N 3.47Å; K1527-G1530 PolarHBondContact O-N 3.05Å; K1527-P1531 WeakPolarHBondContact O-CD 3.48Å |
| 1528 | L | 95.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.2 | -17.1 | -179.2 | -66 | 173.8 | 0 | 0 | 0 | 113.7 | L1450 L1500 E1524 V1525 Q1526 | L1450-L1528 HydrophobicContact CD2-CD1 3.96Å; L1450-L1528 HydrophobicContact CD2-CD2 3.83Å; L1500-L1528 HydrophobicContact CD2-CB 4.03Å; L1500-L1528 HydrophobicContact CD2-CD1 3.56Å; L1500-L1528 HydrophobicContact CD2-CG 4.45Å; E1524-L1528 HydrophobicContact CG-CD1 4.43Å; E1524-L1528 WeakPolarHBondContact O-CG 3.39Å; E1524-L1528 PolarHBondContact O-N 3.23Å; E1524-L1528 VanDerWaalsContact O-N 3.07Å; V1525-L1528 PolarHBondContact O-N 3.05Å; Q1526-L1528 VanDerWaalsContact C-N 3.3Å; Q1526-L1528 PolarHBondContact O-N 3.42Å |
| 1529 | L | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.5 | -20.7 | 173.3 | -67.4 | 170.5 | 0 | 0 | 0 | 113.3 | F89 F1077 L1500 V1525 Q1526 K1527 S1532 W1533 L1569 V1572 L1576 | F89-L1529 HydrophobicContact CE1-CB 4.3Å; F89-L1529 HydrophobicContact CE1-CD1 3.88Å; F89-L1529 HydrophobicContact CZ-CD1 3.52Å; F1077-L1529 HydrophobicContact CE1-CB 4.14Å; F1077-L1529 HydrophobicContact CE1-CD1 4.39Å; F1077-L1529 HydrophobicContact CZ-CB 4.3Å; F1077-L1529 HydrophobicContact CZ-CD2 4.5Å; L1500-L1529 HydrophobicContact CD1-CD2 3.94Å; L1500-L1529 HydrophobicContact CD1-CG 4.33Å; V1525-L1529 HydrophobicContact CG1-CD1 4.41Å; V1525-L1529 WeakPolarHBondContact O-CG 3.38Å; V1525-L1529 PolarHBondContact O-N 3.16Å; Q1526-L1529 PolarHBondContact O-N 3.01Å; K1527-L1529 PolarHBondContact O-N 3.47Å; L1529-S1532 VanDerWaalsContact O-CB 3.27Å; L1529-S1532 WeakPolarHBondContact O-CB 3.48Å; L1529-S1532 PolarHBondContact O-N 3.29Å; L1529-S1532 VanDerWaalsContact O-N 3.08Å; L1529-W1533 PolarHBondContact O-N 3.47Å; L1529-L1569 HydrophobicContact CD2-CD2 3.87Å; L1529-L1569 HydrophobicContact CD2-CG 3.92Å; L1529-V1572 HydrophobicContact CD1-CG1 4.03Å; L1529-L1576 HydrophobicContact CD1-CD1 4.36Å |
| 1530 | G | 93.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.4 | -49.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A44 Q1526 K1527 S1532 W1533 K1534 | A44-G1530 WeakPolarHBondContact O-CA 3.5Å; Q1526-G1530 PolarHBondContact O-N 2.92Å; K1527-G1530 PolarHBondContact O-N 3.05Å; G1530-S1532 PolarHBondContact O-N 3.44Å; G1530-W1533 PolarHBondContact O-N 3.11Å; G1530-K1534 PolarHBondContact O-N 3.47Å |
| 1531 | P | 94.6 | Very high | 93.6 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 33% | 0.331 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.1 | -37 | 175.2 | -28.4 | 36.5 | 0 | 0 | 0 | 113.7 | P1452 L1453 K1527 K1534 H1535 | P1452-P1531 VanDerWaalsContact O-CB 3.26Å; P1452-P1531 WeakPolarHBondContact O-CB 3.3Å; L1453-P1531 HydrophobicContact CD2-CB 3.8Å; K1527-P1531 WeakPolarHBondContact O-CD 3.48Å; P1531-K1534 PolarHBondContact O-N 2.9Å; P1531-H1535 PolarHBondContact O-N 3.22Å |
| 1532 | S | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | 177.8 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | Y1493 L1529 G1530 K1534 H1535 M1536 L1569 | Y1493-S1532 WeakPolarHBondContact OH-CA 3.22Å; Y1493-S1532 WeakPolarHBondContact OH-CB 3.07Å; Y1493-S1532 PolarHBondContact OH-OG 3.45Å; L1529-S1532 VanDerWaalsContact O-CB 3.27Å; L1529-S1532 WeakPolarHBondContact O-CB 3.48Å; L1529-S1532 PolarHBondContact O-N 3.29Å; L1529-S1532 VanDerWaalsContact O-N 3.08Å; G1530-S1532 PolarHBondContact O-N 3.44Å; S1532-K1534 VanDerWaalsContact C-N 3.34Å; S1532-K1534 PolarHBondContact O-N 3.48Å; S1532-H1535 PolarHBondContact O-N 3.1Å; S1532-M1536 WeakPolarHBondContact O-CG 3.15Å; S1532-M1536 PolarHBondContact O-N 3.05Å; S1532-L1569 WeakPolarHBondContact OG-CD2 3.39Å |
| 1533 | W | 93.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 33.6 Ų | 33.6 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.8 | 179.7 | -140.9 | 0 | 0 | 0 | 111.5 | A44 F47 L1076 F1077 S1080 L1529 G1530 H1535 M1536 Q1537 | A44-W1533 HydrophobicContact CB-CB 4.4Å; A44-W1533 HydrophobicContact CB-CG 4.44Å; F47-W1533 HydrophobicContact CE2-CB 4.06Å; F47-W1533 AromaticContact CE2-CD1 3.93Å; F47-W1533 HydrophobicContact CE2-CG 4.28Å; F47-W1533 AromaticContact CZ-CD1 3.56Å; F47-W1533 HydrophobicContact CZ-CG 4.3Å; L1076-W1533 HydrophobicContact CB-CH2 4.45Å; L1076-W1533 HydrophobicContact CB-CZ2 4.2Å; F1077-W1533 HydrophobicContact CB-CD2 4.05Å; F1077-W1533 HydrophobicContact CB-CE3 4.28Å; F1077-W1533 HydrophobicContact CB-CG 4.21Å; F1077-W1533 HydrophobicContact CD2-CB 3.62Å; F1077-W1533 AromaticContact CD2-CD2 3.9Å; F1077-W1533 HydrophobicContact CD2-CD2 3.9Å; F1077-W1533 AromaticContact CD2-CE3 3.69Å; F1077-W1533 HydrophobicContact CD2-CE3 3.69Å; F1077-W1533 AromaticContact CD2-CG 3.92Å; F1077-W1533 HydrophobicContact CD2-CG 3.92Å; F1077-W1533 HydrophobicContact CE2-CB 3.95Å; F1077-W1533 HydrophobicContact CG-CB 4.2Å; F1077-W1533 HydrophobicContact CG-CD2 4.38Å; F1077-W1533 HydrophobicContact CG-CE3 4.46Å; F1077-W1533 HydrophobicContact CG-CG 4.29Å; S1080-W1533 WeakPolarHBondContact OG-CH2 3.49Å; S1080-W1533 WeakPolarHBondContact OG-CZ3 3.5Å; L1529-W1533 PolarHBondContact O-N 3.47Å; G1530-W1533 PolarHBondContact O-N 3.11Å; W1533-H1535 VanDerWaalsContact C-N 3.29Å; W1533-H1535 PolarHBondContact O-N 2.53Å; W1533-M1536 HydrophobicContact CE3-CB 4.14Å; W1533-M1536 HydrophobicContact CZ3-CB 4.38Å; W1533-M1536 PolarHBondContact O-N 3.43Å; W1533-Q1537 HydrophobicContact CD2-CG 3.84Å; W1533-Q1537 VanDerWaalsContact CE2-CD 3.47Å; W1533-Q1537 VanDerWaalsContact CE2-NE2 3.34Å; W1533-Q1537 HydrophobicContact CE3-CG 3.94Å; W1533-Q1537 HydrophobicContact CH2-CG 3.8Å; W1533-Q1537 HydrophobicContact CZ2-CG 3.68Å; W1533-Q1537 VanDerWaalsContact CZ2-NE2 3.3Å; W1533-Q1537 HydrophobicContact CZ3-CG 3.92Å; W1533-Q1537 WeakPolarHBondContact O-CG 3.28Å; W1533-Q1537 PolarHBondContact O-N 3.33Å |
| 1534 | K | 92.5 | Very high | 93.9 | Very high | 87 Ų | 87 | 32.1 Ų | 32.1 | 38% | 0.378 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 177.3 | -163.6 | 65 | 167.3 | -167.5 | 0 | 112.1 | E20 A44 G1530 P1531 S1532 N1538 | E20-K1534 IonicContact OE1-NZ 3.38Å; E20-K1534 PolarHBondContact OE1-NZ 3.07Å; A44-K1534 HydrophobicContact CB-CB 4.47Å; G1530-K1534 PolarHBondContact O-N 3.47Å; P1531-K1534 PolarHBondContact O-N 2.9Å; S1532-K1534 VanDerWaalsContact C-N 3.34Å; S1532-K1534 PolarHBondContact O-N 3.48Å; K1534-N1538 WeakPolarHBondContact O-CB 3.39Å; K1534-N1538 PolarHBondContact O-N 3.29Å; K1534-N1538 PolarHBondContact O-ND2 3.09Å |
| 1535 | H | 94.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 28.8 Ų | 28.8 | 20% | 0.199 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -51.4 | 174.7 | -177 | 96.1 | 0 | 0 | 0 | 111 | L1453 P1531 S1532 W1533 Q1537 N1538 S1539 S1543 | L1453-H1535 HydrophobicContact CD2-CB 4.1Å; P1531-H1535 PolarHBondContact O-N 3.22Å; S1532-H1535 PolarHBondContact O-N 3.1Å; W1533-H1535 VanDerWaalsContact C-N 3.29Å; W1533-H1535 PolarHBondContact O-N 2.53Å; H1535-Q1537 VanDerWaalsContact C-N 3.34Å; H1535-Q1537 PolarHBondContact O-N 3.25Å; H1535-N1538 CarbonylContact O-C 3.54Å; H1535-N1538 PolarHBondContact O-N 3.31Å; H1535-S1539 WeakPolarHBondContact O-CB 3.3Å; H1535-S1539 PolarHBondContact O-N 3.43Å; H1535-S1543 PolarHBondContact CD2-O 3.27Å |
| 1536 | M | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | -179 | -71.4 | -176.6 | 70.9 | 0 | 0 | 113.2 | F1077 L1081 S1532 W1533 N1538 L1544 | F1077-M1536 HydrophobicContact CE2-SD 4.41Å; L1081-M1536 HydrophobicContact CD2-CE 4.24Å; L1081-M1536 HydrophobicContact CD2-SD 3.61Å; L1081-M1536 HydrophobicContact CG-SD 4.17Å; S1532-M1536 WeakPolarHBondContact O-CG 3.15Å; S1532-M1536 PolarHBondContact O-N 3.05Å; W1533-M1536 HydrophobicContact CE3-CB 4.14Å; W1533-M1536 HydrophobicContact CZ3-CB 4.38Å; W1533-M1536 PolarHBondContact O-N 3.43Å; M1536-N1538 PolarHBondContact O-N 3.27Å; M1536-L1544 HydrophobicContact CG-CD2 3.58Å; M1536-L1544 HydrophobicContact CG-CG 4.07Å; M1536-L1544 HydrophobicContact SD-CD2 4.18Å; M1536-L1544 HydrophobicContact SD-CG 4.21Å |
| 1537 | Q | 89.2 | Confident | 94.4 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 32% | 0.318 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.6 | -30 | 176 | -69.9 | -179.1 | -47.1 | 0 | 0 | 112.6 | R989 W1533 H1535 | R989-Q1537 PolarHBondContact NH2-O 2.66Å; W1533-Q1537 HydrophobicContact CD2-CG 3.84Å; W1533-Q1537 VanDerWaalsContact CE2-CD 3.47Å; W1533-Q1537 VanDerWaalsContact CE2-NE2 3.34Å; W1533-Q1537 HydrophobicContact CE3-CG 3.94Å; W1533-Q1537 HydrophobicContact CH2-CG 3.8Å; W1533-Q1537 HydrophobicContact CZ2-CG 3.68Å; W1533-Q1537 VanDerWaalsContact CZ2-NE2 3.3Å; W1533-Q1537 HydrophobicContact CZ3-CG 3.92Å; W1533-Q1537 WeakPolarHBondContact O-CG 3.28Å; W1533-Q1537 PolarHBondContact O-N 3.33Å; H1535-Q1537 VanDerWaalsContact C-N 3.34Å; H1535-Q1537 PolarHBondContact O-N 3.25Å |
| 1538 | N | 91.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 25.3 Ų | 25.3 | 47% | 0.471 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -95.4 | -24.5 | -174.8 | -71.2 | -36.5 | 0 | 0 | 0 | 114 | H985 R989 K1534 H1535 M1536 | H985-N1538 PolarHBondContact CE1-O 3.08Å; R989-N1538 VanDerWaalsContact NH2-CA 3.31Å; R989-N1538 PolarHBondContact NH2-O 3.23Å; K1534-N1538 WeakPolarHBondContact O-CB 3.39Å; K1534-N1538 PolarHBondContact O-N 3.29Å; K1534-N1538 PolarHBondContact O-ND2 3.09Å; H1535-N1538 CarbonylContact O-C 3.54Å; H1535-N1538 PolarHBondContact O-N 3.31Å; M1536-N1538 PolarHBondContact O-N 3.27Å |
| 1539 | S | 92.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | trans | -79.1 | 133.1 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | H985 H1535 W1541 F1542 | H985-S1539 VanDerWaalsContact CE1-C 3.48Å; H985-S1539 PolarHBondContact CE1-O 3.04Å; H985-S1539 PolarHBondContact ND1-O 2.96Å; H1535-S1539 WeakPolarHBondContact O-CB 3.3Å; H1535-S1539 PolarHBondContact O-N 3.43Å; S1539-W1541 PolarHBondContact O-N 2.83Å; S1539-W1541 PolarHBondContact OG-N 3.38Å; S1539-F1542 PolarHBondContact O-N 3.12Å | ||
| 1540 | P | 92.5 | Very high | 94.7 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 29% | 0.292 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.5 | 173.4 | 30.3 | -35.6 | 0 | 0 | 0 | 113 | I976 F1542 | I976-P1540 HydrophobicContact CG1-CB 4.02Å; I976-P1540 HydrophobicContact CG1-CG 4.3Å; P1540-F1542 VanDerWaalsContact C-N 3.3Å |
| 1541 | W | 95 | Very high | 94.8 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.1 | 176 | -66.4 | 88.7 | 0 | 0 | 0 | 113.4 | W953 I976 Y977 L1128 P1129 S1539 S1543 E1560 A1561 | W953-W1541 AromaticContact CD1-CH2 3.65Å; W953-W1541 AromaticContact CD1-CZ3 3.92Å; W953-W1541 HydrophobicContact CG-CH2 4.49Å; W953-W1541 HydrophobicContact CG-CZ3 4.5Å; W953-W1541 AromaticContact NE1-CH2 3.93Å; I976-W1541 HydrophobicContact CD1-CZ2 4.33Å; I976-W1541 HydrophobicContact CG2-CD2 3.43Å; I976-W1541 VanDerWaalsContact CG2-CD2 3.43Å; I976-W1541 HydrophobicContact CG2-CE3 3.48Å; I976-W1541 VanDerWaalsContact CG2-CE3 3.48Å; I976-W1541 HydrophobicContact CG2-CG 4.07Å; I976-W1541 HydrophobicContact CG2-CH2 3.86Å; I976-W1541 HydrophobicContact CG2-CZ2 3.83Å; I976-W1541 HydrophobicContact CG2-CZ3 3.68Å; Y977-W1541 HydrophobicContact CE1-CE3 4.21Å; Y977-W1541 HydrophobicContact CE1-CZ3 4.4Å; Y977-W1541 VanDerWaalsContact CE2-O 3.3Å; Y977-W1541 WeakPolarHBondContact CE2-O 3.31Å; Y977-W1541 AromaticContact CZ-CE3 3.94Å; Y977-W1541 PolarHBondContact OH-O 3.19Å; L1128-W1541 HydrophobicContact CB-CE3 4.27Å; L1128-W1541 HydrophobicContact CB-CH2 4.44Å; L1128-W1541 HydrophobicContact CB-CZ3 3.64Å; P1129-W1541 HydrophobicContact CB-CH2 4.05Å; P1129-W1541 HydrophobicContact CG-CH2 4.19Å; S1539-W1541 PolarHBondContact O-N 2.83Å; S1539-W1541 PolarHBondContact OG-N 3.38Å; W1541-S1543 PolarHBondContact O-N 2.85Å; W1541-E1560 HydrophobicContact CB-CB 4.25Å; W1541-E1560 HydrophobicContact CD2-CB 3.56Å; W1541-E1560 HydrophobicContact CD2-CG 4.34Å; W1541-E1560 VanDerWaalsContact CE2-CB 3.5Å; W1541-E1560 HydrophobicContact CE3-CB 4.34Å; W1541-E1560 HydrophobicContact CG-CB 3.47Å; W1541-E1560 VanDerWaalsContact CG-CB 3.47Å; W1541-E1560 HydrophobicContact CG-CG 4.37Å; W1541-E1560 HydrophobicContact CZ2-CB 4.22Å; W1541-E1560 HydrophobicContact CZ2-CG 4.23Å; W1541-E1560 VanDerWaalsContact NE1-CB 3.34Å; W1541-A1561 HydrophobicContact CE3-CB 4.29Å |
| 1542 | F | 95.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 13% | 0.127 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 49.5 | 43.6 | -176.1 | -165.2 | -111.5 | 0 | 0 | 0 | 112.1 | Q981 S1080 L1083 S1084 S1539 P1540 | Q981-F1542 HydrophobicContact CG-CB 4.32Å; Q981-F1542 VanDerWaalsContact NE2-CG 3.27Å; S1080-F1542 WeakPolarHBondContact OG-CZ 3.35Å; L1083-F1542 HydrophobicContact CB-CE1 4.25Å; S1084-F1542 WeakPolarHBondContact CB-O 3.48Å; S1084-F1542 PolarHBondContact OG-O 2.92Å; S1539-F1542 PolarHBondContact O-N 3.12Å; P1540-F1542 VanDerWaalsContact C-N 3.3Å |
| 1543 | S | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -153 | -172.5 | -174.5 | -156.8 | 0 | 0 | 0 | 0 | 110.6 | S1084 H1535 W1541 A1561 V1566 | S1084-S1543 VanDerWaalsContact OG-CA 3.26Å; S1084-S1543 WeakPolarHBondContact OG-CA 3.36Å; S1084-S1543 WeakPolarHBondContact OG-CB 3.44Å; S1084-S1543 PolarHBondContact OG-OG 3.25Å; H1535-S1543 PolarHBondContact CD2-O 3.27Å; W1541-S1543 PolarHBondContact O-N 2.85Å; S1543-A1561 WeakPolarHBondContact OG-CA 3.34Å; S1543-A1561 WeakPolarHBondContact OG-CB 3.12Å; S1543-V1566 WeakPolarHBondContact OG-CG2 3.14Å |
| 1544 | L | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -115.6 | 138.4 | 179.3 | -62 | 173.6 | 0 | 0 | 0 | 109.9 | L1081 Y1493 M1536 E1560 A1561 Q1562 V1566 L1569 | L1081-L1544 HydrophobicContact CD2-CD1 3.97Å; Y1493-L1544 HydrophobicContact CD1-CD1 4.32Å; Y1493-L1544 HydrophobicContact CD2-CB 4.39Å; Y1493-L1544 HydrophobicContact CE1-CD1 3.94Å; Y1493-L1544 HydrophobicContact CE1-CD2 4.32Å; Y1493-L1544 HydrophobicContact CE2-CB 4.3Å; Y1493-L1544 HydrophobicContact CE2-CD2 4.08Å; M1536-L1544 HydrophobicContact CG-CD2 3.58Å; M1536-L1544 HydrophobicContact CG-CG 4.07Å; M1536-L1544 HydrophobicContact SD-CD2 4.18Å; M1536-L1544 HydrophobicContact SD-CG 4.21Å; L1544-E1560 CarbonylContact C-O 3.58Å; L1544-E1560 VanDerWaalsContact C-O 3.29Å; L1544-A1561 WeakPolarHBondContact O-CA 3.39Å; L1544-Q1562 PolarHBondContact O-N 2.98Å; L1544-V1566 HydrophobicContact CB-CG2 4.33Å; L1544-L1569 HydrophobicContact CD1-CD2 3.65Å; L1544-L1569 HydrophobicContact CD1-CG 4.5Å | ||
| 1545 | P | 97 | Very high | 95 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | trans | -70.9 | 165.8 | -179.8 | 30.7 | -35 | 0 | 0 | 0 | 111.4 | Y1493 T1548 C1559 S1565 | Y1493-P1545 HydrophobicContact CD2-CG 4.1Å; Y1493-P1545 HydrophobicContact CE2-CG 4.26Å; P1545-T1548 HydrophobicContact CG-CG2 4.27Å; P1545-C1559 CarbonylContact C-O 3.52Å; P1545-C1559 WeakPolarHBondContact CA-O 3.46Å; P1545-C1559 WeakPolarHBondContact CB-O 3.24Å; P1545-S1565 WeakPolarHBondContact O-CB 3.45Å; P1545-S1565 PolarHBondContact O-OG 3.28Å | ||
| 1546 | E | 97.8 | Very high | 95 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.9 | -50.6 | 170.9 | -178.2 | 174.6 | -172.1 | 0 | 0 | 111.1 | Y1486 W1492 Y1493 S1558 C1559 Q1562 W1564 | Y1486-E1546 PolarHBondContact OH-OE1 2.64Å; Y1486-E1546 PolarHBondContact OH-OE2 3.41Å; W1492-E1546 HydrophobicContact CE3-CG 3.96Å; W1492-E1546 HydrophobicContact CH2-CG 3.92Å; W1492-E1546 WeakPolarHBondContact CH2-OE1 3.46Å; W1492-E1546 HydrophobicContact CZ3-CG 3.4Å; W1492-E1546 VanDerWaalsContact CZ3-CG 3.4Å; W1492-E1546 VanDerWaalsContact CZ3-OE1 3.26Å; W1492-E1546 WeakPolarHBondContact CZ3-OE1 3.35Å; Y1493-E1546 PolarHBondContact N-O 3.19Å; E1546-S1558 PolarHBondContact N-OG 3.01Å; E1546-C1559 HydrophobicContact CB-CB 4.16Å; E1546-C1559 PolarHBondContact N-O 3.11Å; E1546-Q1562 HydrophobicContact CB-CB 4.01Å; E1546-Q1562 HydrophobicContact CB-CG 3.71Å; E1546-Q1562 VanDerWaalsContact CD-NE2 3.26Å; E1546-Q1562 HydrophobicContact CG-CG 4.01Å; E1546-Q1562 PolarHBondContact OE1-NE2 2.72Å; E1546-W1564 HydrophobicContact CG-CZ2 4.43Å |
| 1547 | L | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 162.6 | -177.6 | 69.6 | 96.8 | 0 | 0 | 0 | 112.1 | Y1469 Y1486 P1490 E1491 W1492 C1555 S1558 | Y1469-L1547 HydrophobicContact CD1-CD1 4.34Å; Y1469-L1547 HydrophobicContact CD1-CD2 4.49Å; Y1486-L1547 HydrophobicContact CD2-CD2 3.97Å; Y1486-L1547 HydrophobicContact CE2-CD2 3.31Å; P1490-L1547 HydrophobicContact CB-CD1 4.09Å; E1491-L1547 CarbonylContact O-C 3.24Å; E1491-L1547 WeakPolarHBondContact O-CA 3.23Å; E1491-L1547 WeakPolarHBondContact O-CB 3.43Å; W1492-L1547 HydrophobicContact CD2-CB 4.13Å; W1492-L1547 HydrophobicContact CG-CB 4.18Å; W1492-L1547 HydrophobicContact CH2-CD2 4.35Å; W1492-L1547 HydrophobicContact CZ2-CD2 3.84Å; L1547-C1555 HydrophobicContact CD1-CB 3.93Å; L1547-C1555 VanDerWaalsContact CD1-SG 3.57Å; L1547-S1558 PolarHBondContact N-OG 3.17Å; L1547-S1558 VanDerWaalsContact N-OG 3.12Å; L1547-S1558 WeakPolarHBondContact O-CB 3.35Å; L1547-S1558 PolarHBondContact O-OG 3.17Å; L1547-S1558 VanDerWaalsContact O-OG 3.08Å |
| 1548 | T | 97.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 157.8 | 168.9 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | L1453 E1491 P1545 A1553 | L1453-T1548 HydrophobicContact CB-CG2 4.34Å; L1453-T1548 HydrophobicContact CD1-CG2 4.08Å; E1491-T1548 WeakPolarHBondContact CB-OG1 3.49Å; E1491-T1548 PolarHBondContact N-O 3.01Å; E1491-T1548 PolarHBondContact O-N 3.15Å; E1491-T1548 PolarHBondContact OE2-OG1 3.45Å; P1545-T1548 HydrophobicContact CG-CG2 4.27Å; T1548-A1553 WeakPolarHBondContact CB-O 3.21Å |
| 1549 | N | 97.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | -177.3 | 165.9 | -75.9 | -28.3 | 0 | 0 | 0 | 110.1 | D1468 Y1469 N1551 G1552 A1553 Y1554 | D1468-N1549 WeakPolarHBondContact CA-OD1 3.45Å; Y1469-N1549 PolarHBondContact N-OD1 2.9Å; Y1469-N1549 PolarHBondContact O-OD1 3.37Å; N1549-N1551 PolarHBondContact O-N 3.46Å; N1549-G1552 PolarHBondContact O-N 2.81Å; N1549-A1553 HydrophobicContact CB-CB 3.87Å; N1549-A1553 PolarHBondContact N-O 3.26Å; N1549-A1553 PolarHBondContact O-N 2.78Å; N1549-Y1554 PolarHBondContact ND2-O 3.35Å |
| 1550 | K | 96.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 32 Ų | 32 | 30% | 0.3 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -53.8 | 133.5 | -173.6 | -170.3 | 173.5 | -174.2 | 169.3 | 0 | 112.3 | E1460 G1467 D1468 G1552 A1553 | E1460-K1550 VanDerWaalsContact OE1-CE 3.28Å; E1460-K1550 WeakPolarHBondContact OE1-CE 3.49Å; E1460-K1550 IonicContact OE1-NZ 3.54Å; E1460-K1550 PolarHBondContact OE1-NZ 2.64Å; E1460-K1550 IonicContact OE2-NZ 3.69Å; E1460-K1550 PolarHBondContact OE2-NZ 3.4Å; G1467-K1550 PolarHBondContact O-N 3.47Å; D1468-K1550 WeakPolarHBondContact OD1-CB 3.4Å; D1468-K1550 PolarHBondContact OD1-N 2.83Å; K1550-G1552 PolarHBondContact O-N 2.79Å; K1550-A1553 VanDerWaalsContact O-CB 3.28Å; K1550-A1553 WeakPolarHBondContact O-CB 3.47Å; K1550-A1553 PolarHBondContact O-N 2.88Å |
| 1551 | N | 94.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 29.9 Ų | 29.9 | 54% | 0.54 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | 56.4 | 39.7 | 179.8 | -56.7 | -41.3 | 0 | 0 | 0 | 114.4 | E1491 N1549 A1553 | E1491-N1551 VanDerWaalsContact CD-N 3.33Å; E1491-N1551 WeakPolarHBondContact OE1-CA 3.27Å; E1491-N1551 PolarHBondContact OE1-N 3.17Å; E1491-N1551 PolarHBondContact OE2-N 2.61Å; N1549-N1551 PolarHBondContact O-N 3.46Å; N1551-A1553 VanDerWaalsContact C-N 3.31Å; N1551-A1553 PolarHBondContact O-N 3.2Å |
| 1552 | G | 93.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 24% | 0.237 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | 77 | 13.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E1491 N1549 K1550 | E1491-G1552 PolarHBondContact OE2-N 2.86Å; N1549-G1552 PolarHBondContact O-N 2.81Å; K1550-G1552 PolarHBondContact O-N 2.79Å |
| 1553 | A | 95.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 27.4 Ų | 27.4 | 37% | 0.372 | 15% | 0.154 | S | C | . | . | B | Isolated β-bridge | trans | -64.9 | 147.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1548 N1549 K1550 N1551 C1555 | T1548-A1553 WeakPolarHBondContact CB-O 3.21Å; N1549-A1553 HydrophobicContact CB-CB 3.87Å; N1549-A1553 PolarHBondContact N-O 3.26Å; N1549-A1553 PolarHBondContact O-N 2.78Å; K1550-A1553 VanDerWaalsContact O-CB 3.28Å; K1550-A1553 WeakPolarHBondContact O-CB 3.47Å; K1550-A1553 PolarHBondContact O-N 2.88Å; N1551-A1553 VanDerWaalsContact C-N 3.31Å; N1551-A1553 PolarHBondContact O-N 3.2Å; A1553-C1555 PolarHBondContact O-N 3.28Å |
| 1554 | Y | 95.3 | Very high | 96.5 | Very high | 158 Ų | 158 | 27.7 Ų | 27.7 | 62% | 0.62 | 16% | 0.155 | S | C | * | . | trans | -58.5 | 136.5 | 179.2 | -177.7 | -109.8 | 0 | 0 | 0 | 111.6 | N1549 A1556 E1560 | N1549-Y1554 PolarHBondContact ND2-O 3.35Å; Y1554-A1556 HydrophobicContact CE1-CB 3.99Å; Y1554-E1560 WeakPolarHBondContact CE2-OE1 3.37Å; Y1554-E1560 PolarHBondContact OH-OE1 2.94Å | ||
| 1555 | C | 96.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | trans | -120.3 | 107.6 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | L1547 A1553 D1557 S1558 | L1547-C1555 HydrophobicContact CD1-CB 3.93Å; L1547-C1555 VanDerWaalsContact CD1-SG 3.57Å; A1553-C1555 PolarHBondContact O-N 3.28Å; C1555-D1557 PolarHBondContact O-N 3.11Å; C1555-S1558 WeakPolarHBondContact O-CB 3.36Å; C1555-S1558 PolarHBondContact O-N 2.8Å; C1555-S1558 VanDerWaalsContact O-N 3.12Å | ||
| 1556 | A | 94.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 59% | 0.587 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y1554 | Y1554-A1556 HydrophobicContact CE1-CB 3.99Š|
| 1557 | D | 95.8 | Very high | 96.5 | Very high | 50 Ų | 50 | 27.1 Ų | 27.1 | 27% | 0.267 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.2 | 176.8 | -64.4 | -62.3 | 0 | 0 | 0 | 112.8 | Y1469 V1470 N1471 C1555 | Y1469-D1557 HydrophobicContact CD1-CB 3.81Å; Y1469-D1557 HydrophobicContact CE1-CB 3.47Å; Y1469-D1557 VanDerWaalsContact CE1-CB 3.47Å; V1470-D1557 WeakPolarHBondContact CA-OD2 3.33Å; N1471-D1557 HydrophobicContact CB-CB 4.28Å; N1471-D1557 PolarHBondContact N-OD2 3.03Å; C1555-D1557 PolarHBondContact O-N 3.11Å |
| 1558 | S | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -83 | 143 | 178.6 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E1546 L1547 C1555 | E1546-S1558 PolarHBondContact N-OG 3.01Å; L1547-S1558 PolarHBondContact N-OG 3.17Å; L1547-S1558 VanDerWaalsContact N-OG 3.12Å; L1547-S1558 WeakPolarHBondContact O-CB 3.35Å; L1547-S1558 PolarHBondContact O-OG 3.17Å; L1547-S1558 VanDerWaalsContact O-OG 3.08Å; C1555-S1558 WeakPolarHBondContact O-CB 3.36Å; C1555-S1558 PolarHBondContact O-N 2.8Å; C1555-S1558 VanDerWaalsContact O-N 3.12Å |
| 1559 | C | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -60.1 | 140.7 | 156.9 | -76.6 | 0 | 0 | 0 | 0 | 109.7 | L1128 H1130 F1131 P1545 E1546 | L1128-C1559 WeakPolarHBondContact O-CA 3.41Å; L1128-C1559 WeakPolarHBondContact O-CB 3.48Å; H1130-C1559 VanDerWaalsContact CD2-SG 3.57Å; F1131-C1559 VanDerWaalsContact CD2-SG 3.56Å; P1545-C1559 CarbonylContact C-O 3.52Å; P1545-C1559 WeakPolarHBondContact CA-O 3.46Å; P1545-C1559 WeakPolarHBondContact CB-O 3.24Å; E1546-C1559 HydrophobicContact CB-CB 4.16Å; E1546-C1559 PolarHBondContact N-O 3.11Å | ||
| 1560 | E | 96.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -95.7 | -19.6 | -174.5 | -62.4 | -74.3 | 170.3 | 0 | 0 | 112.2 | L1128 W1541 L1544 Y1554 | L1128-E1560 PolarHBondContact O-N 3.33Å; W1541-E1560 HydrophobicContact CB-CB 4.25Å; W1541-E1560 HydrophobicContact CD2-CB 3.56Å; W1541-E1560 HydrophobicContact CD2-CG 4.34Å; W1541-E1560 VanDerWaalsContact CE2-CB 3.5Å; W1541-E1560 HydrophobicContact CE3-CB 4.34Å; W1541-E1560 HydrophobicContact CG-CB 3.47Å; W1541-E1560 VanDerWaalsContact CG-CB 3.47Å; W1541-E1560 HydrophobicContact CG-CG 4.37Å; W1541-E1560 HydrophobicContact CZ2-CB 4.22Å; W1541-E1560 HydrophobicContact CZ2-CG 4.23Å; W1541-E1560 VanDerWaalsContact NE1-CB 3.34Å; L1544-E1560 CarbonylContact C-O 3.58Å; L1544-E1560 VanDerWaalsContact C-O 3.29Å; Y1554-E1560 WeakPolarHBondContact CE2-OE1 3.37Å; Y1554-E1560 PolarHBondContact OH-OE1 2.94Å |
| 1561 | A | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | L1088 G1127 L1128 W1541 S1543 L1544 | L1088-A1561 HydrophobicContact CD2-CB 4.29Å; L1088-A1561 WeakPolarHBondContact CD2-O 3.37Å; G1127-A1561 CarbonylContact C-O 3.54Å; G1127-A1561 WeakPolarHBondContact CA-O 3.49Å; L1128-A1561 HydrophobicContact CB-CB 4.32Å; L1128-A1561 PolarHBondContact N-O 3.04Å; L1128-A1561 PolarHBondContact O-N 2.92Å; W1541-A1561 HydrophobicContact CE3-CB 4.29Å; S1543-A1561 WeakPolarHBondContact OG-CA 3.34Å; S1543-A1561 WeakPolarHBondContact OG-CB 3.12Å; L1544-A1561 WeakPolarHBondContact O-CA 3.39Å |
| 1562 | Q | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.3 | -171.3 | -167.9 | 82.3 | -4.9 | 0 | 0 | 112.5 | A1126 L1544 E1546 W1564 S1565 V1566 | A1126-Q1562 PolarHBondContact O-NE2 2.87Å; A1126-Q1562 PolarHBondContact O-OE1 2.85Å; L1544-Q1562 PolarHBondContact O-N 2.98Å; E1546-Q1562 HydrophobicContact CB-CB 4.01Å; E1546-Q1562 HydrophobicContact CB-CG 3.71Å; E1546-Q1562 VanDerWaalsContact CD-NE2 3.26Å; E1546-Q1562 HydrophobicContact CG-CG 4.01Å; E1546-Q1562 PolarHBondContact OE1-NE2 2.72Å; Q1562-W1564 HydrophobicContact CG-CG 4.38Å; Q1562-W1564 VanDerWaalsContact NE2-NE1 3.14Å; Q1562-S1565 PolarHBondContact O-N 2.77Å; Q1562-V1566 PolarHBondContact O-N 3.42Å |
| 1563 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.4 | -53.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1124 S1125 A1126 A1146 L1150 S1565 V1566 G1567 | I1124-A1563 HydrophobicContact CG2-CB 3.64Å; S1125-A1563 VanDerWaalsContact O-CB 3.27Å; S1125-A1563 WeakPolarHBondContact O-CB 3.19Å; A1126-A1563 PolarHBondContact O-N 3.05Å; A1146-A1563 HydrophobicContact CB-CB 3.77Å; L1150-A1563 HydrophobicContact CD1-CB 3.75Å; A1563-S1565 VanDerWaalsContact C-N 3.26Å; A1563-S1565 PolarHBondContact O-N 3.27Å; A1563-V1566 PolarHBondContact O-N 2.85Å; A1563-G1567 PolarHBondContact O-N 3.43Å |
| 1564 | W | 96.8 | Very high | 96 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 2% | 0.023 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -24.6 | -179.7 | 51.9 | 10.6 | 0 | 0 | 0 | 113.7 | D1142 I1145 A1146 W1298 W1492 W1494 E1546 Q1562 S1568 | D1142-W1564 VanDerWaalsContact OD1-CZ2 3.3Å; D1142-W1564 WeakPolarHBondContact OD1-CZ2 3.48Å; I1145-W1564 HydrophobicContact CB-CB 4.31Å; I1145-W1564 HydrophobicContact CB-CE3 4.41Å; I1145-W1564 HydrophobicContact CD1-CE3 3.67Å; I1145-W1564 HydrophobicContact CD1-CZ3 3.92Å; I1145-W1564 HydrophobicContact CG2-CB 3.66Å; I1145-W1564 HydrophobicContact CG2-CE3 4.23Å; A1146-W1564 HydrophobicContact CB-CB 4.43Å; W1298-W1564 HydrophobicContact CE3-CH2 4.35Å; W1298-W1564 HydrophobicContact CE3-CZ3 4.46Å; W1492-W1564 HydrophobicContact CE3-CZ2 4.19Å; W1492-W1564 HydrophobicContact CH2-CH2 4.42Å; W1492-W1564 HydrophobicContact CH2-CZ2 4.15Å; W1492-W1564 AromaticContact CZ3-CH2 3.8Å; W1492-W1564 HydrophobicContact CZ3-CH2 3.8Å; W1492-W1564 AromaticContact CZ3-CZ2 3.33Å; W1492-W1564 HydrophobicContact CZ3-CZ2 3.33Å; W1494-W1564 HydrophobicContact CB-CB 3.76Å; W1494-W1564 HydrophobicContact CB-CD2 4.18Å; W1494-W1564 HydrophobicContact CB-CG 3.73Å; W1494-W1564 WeakPolarHBondContact CB-O 3.42Å; W1494-W1564 AromaticContact CD1-CD2 3.33Å; W1494-W1564 AromaticContact CD1-CE2 3.66Å; W1494-W1564 AromaticContact CD1-CE3 3.42Å; W1494-W1564 VanDerWaalsContact CD1-CE3 3.42Å; W1494-W1564 AromaticContact CD1-CG 3.81Å; W1494-W1564 AromaticContact CD1-CZ3 3.86Å; W1494-W1564 AromaticContact CD1-NE1 3.99Å; W1494-W1564 HydrophobicContact CD2-CD2 4.38Å; W1494-W1564 AromaticContact CD2-CE3 3.96Å; W1494-W1564 HydrophobicContact CD2-CE3 3.96Å; W1494-W1564 AromaticContact CE2-CE3 3.77Å; W1494-W1564 AromaticContact CE2-CZ3 3.91Å; W1494-W1564 HydrophobicContact CG-CB 4.13Å; W1494-W1564 AromaticContact CG-CD2 3.72Å; W1494-W1564 HydrophobicContact CG-CD2 3.72Å; W1494-W1564 AromaticContact CG-CE3 3.78Å; W1494-W1564 HydrophobicContact CG-CE3 3.78Å; W1494-W1564 AromaticContact CG-CG 3.82Å; W1494-W1564 HydrophobicContact CG-CG 3.82Å; W1494-W1564 HydrophobicContact CZ2-CE3 4.46Å; W1494-W1564 HydrophobicContact CZ2-CZ3 4.36Å; W1494-W1564 AromaticContact NE1-CD2 3.87Å; W1494-W1564 AromaticContact NE1-CE3 3.46Å; W1494-W1564 AromaticContact NE1-CH2 3.96Å; W1494-W1564 AromaticContact NE1-CZ3 3.47Å; E1546-W1564 HydrophobicContact CG-CZ2 4.43Å; Q1562-W1564 HydrophobicContact CG-CG 4.38Å; Q1562-W1564 VanDerWaalsContact NE2-NE1 3.14Å; W1564-S1568 WeakPolarHBondContact O-CB 3.31Å; W1564-S1568 PolarHBondContact O-N 3.19Å; W1564-S1568 PolarHBondContact O-OG 2.9Å |
| 1565 | S | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -69.9 | -51.7 | 178.7 | -58 | 0 | 0 | 0 | 0 | 109.3 | Y1493 P1545 Q1562 A1563 S1568 L1569 | Y1493-S1565 VanDerWaalsContact CB-OG 3.29Å; Y1493-S1565 WeakPolarHBondContact CB-OG 3.12Å; P1545-S1565 WeakPolarHBondContact O-CB 3.45Å; P1545-S1565 PolarHBondContact O-OG 3.28Å; Q1562-S1565 PolarHBondContact O-N 2.77Å; A1563-S1565 VanDerWaalsContact C-N 3.26Å; A1563-S1565 PolarHBondContact O-N 3.27Å; S1565-S1568 PolarHBondContact O-OG 2.94Å; S1565-L1569 WeakPolarHBondContact O-CD1 3.47Å; S1565-L1569 PolarHBondContact O-N 3.04Å |
| 1566 | V | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | L1081 L1088 L1150 S1543 L1544 Q1562 A1563 L1569 L1570 | L1081-V1566 HydrophobicContact CD2-CG1 4.34Å; L1081-V1566 WeakPolarHBondContact O-CG1 3.34Å; L1088-V1566 HydrophobicContact CD1-CB 4.38Å; L1088-V1566 HydrophobicContact CD1-CG2 4.08Å; L1150-V1566 HydrophobicContact CD2-CB 3.96Å; L1150-V1566 HydrophobicContact CD2-CG1 3.78Å; S1543-V1566 WeakPolarHBondContact OG-CG2 3.14Å; L1544-V1566 HydrophobicContact CB-CG2 4.33Å; Q1562-V1566 PolarHBondContact O-N 3.42Å; A1563-V1566 PolarHBondContact O-N 2.85Å; V1566-L1569 PolarHBondContact O-N 3.35Å; V1566-L1570 HydrophobicContact CG1-CD1 4.05Å; V1566-L1570 PolarHBondContact O-N 3.14Å |
| 1567 | G | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1149 A1563 L1569 L1570 E1571 | G1149-G1567 WeakPolarHBondContact CA-O 3.29Å; A1563-G1567 PolarHBondContact O-N 3.43Å; G1567-L1569 VanDerWaalsContact C-N 3.31Å; G1567-L1569 PolarHBondContact O-N 3.01Å; G1567-L1570 WeakPolarHBondContact O-CB 3.26Å; G1567-L1570 PolarHBondContact O-N 2.85Å; G1567-E1571 WeakPolarHBondContact O-CG 3.19Å; G1567-E1571 PolarHBondContact O-N 3.3Å |
| 1568 | S | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.6 | -33.6 | -178.8 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | W1494 W1564 S1565 E1571 V1572 | W1494-S1568 WeakPolarHBondContact CA-OG 3.42Å; W1564-S1568 WeakPolarHBondContact O-CB 3.31Å; W1564-S1568 PolarHBondContact O-N 3.19Å; W1564-S1568 PolarHBondContact O-OG 2.9Å; S1565-S1568 PolarHBondContact O-OG 2.94Å; S1568-E1571 WeakPolarHBondContact O-CB 3.4Å; S1568-E1571 PolarHBondContact O-N 2.77Å; S1568-V1572 WeakPolarHBondContact O-CG2 3.37Å; S1568-V1572 PolarHBondContact O-N 2.98Å; S1568-V1572 VanDerWaalsContact O-N 3.16Å |
| 1569 | L | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -74.6 | -36.4 | 175.7 | -94.4 | 70.6 | 0 | 0 | 0 | 112.8 | L1081 Y1493 L1529 S1532 L1544 S1565 V1566 G1567 E1571 V1572 C1573 | L1081-L1569 HydrophobicContact CD1-CB 4.33Å; L1081-L1569 HydrophobicContact CD2-CB 4.42Å; Y1493-L1569 HydrophobicContact CD1-CD1 3.76Å; Y1493-L1569 HydrophobicContact CD1-CD2 4.44Å; Y1493-L1569 HydrophobicContact CE1-CD1 3.87Å; Y1493-L1569 HydrophobicContact CE1-CD2 3.76Å; Y1493-L1569 HydrophobicContact CE1-CG 4.5Å; L1529-L1569 HydrophobicContact CD2-CD2 3.87Å; L1529-L1569 HydrophobicContact CD2-CG 3.92Å; S1532-L1569 WeakPolarHBondContact OG-CD2 3.39Å; L1544-L1569 HydrophobicContact CD1-CD2 3.65Å; L1544-L1569 HydrophobicContact CD1-CG 4.5Å; S1565-L1569 WeakPolarHBondContact O-CD1 3.47Å; S1565-L1569 PolarHBondContact O-N 3.04Å; V1566-L1569 PolarHBondContact O-N 3.35Å; G1567-L1569 VanDerWaalsContact C-N 3.31Å; G1567-L1569 PolarHBondContact O-N 3.01Å; L1569-E1571 PolarHBondContact O-N 2.79Å; L1569-V1572 WeakPolarHBondContact O-CB 3.3Å; L1569-V1572 PolarHBondContact O-N 3.33Å; L1569-V1572 VanDerWaalsContact O-N 3.16Å; L1569-C1573 PolarHBondContact O-N 2.72Å; L1569-C1573 VanDerWaalsContact O-N 3.08Å |
| 1570 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.1 | -38.6 | 169.9 | -79.6 | 168.2 | 0 | 0 | 0 | 111.2 | L1078 L1081 G1149 L1150 V1153 T1154 V1566 G1567 C1573 Y1574 | L1078-L1570 HydrophobicContact CD1-CD2 3.87Å; L1081-L1570 HydrophobicContact CB-CD2 3.58Å; L1081-L1570 HydrophobicContact CB-CG 3.9Å; L1081-L1570 HydrophobicContact CD1-CD2 4.35Å; G1149-L1570 WeakPolarHBondContact O-CD1 3.45Å; L1150-L1570 HydrophobicContact CD2-CD1 4.29Å; V1153-L1570 HydrophobicContact CG1-CB 4.34Å; T1154-L1570 HydrophobicContact CG2-CD1 4.1Å; V1566-L1570 HydrophobicContact CG1-CD1 4.05Å; V1566-L1570 PolarHBondContact O-N 3.14Å; G1567-L1570 WeakPolarHBondContact O-CB 3.26Å; G1567-L1570 PolarHBondContact O-N 2.85Å; L1570-C1573 PolarHBondContact O-N 2.89Å; L1570-Y1574 WeakPolarHBondContact O-CB 3.31Å; L1570-Y1574 PolarHBondContact O-N 2.98Å |
| 1571 | E | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 175.1 | -68.8 | 179.6 | -148.7 | 0 | 0 | 113.2 | R1148 G1149 V1153 R1501 G1567 S1568 L1569 Y1574 D1575 | R1148-E1571 WeakPolarHBondContact CB-OE1 3.4Å; R1148-E1571 HydrophobicContact CG-CG 4.09Å; R1148-E1571 IonicContact CZ-OE2 2.67Å; R1148-E1571 IonicContact NH1-OE2 2.68Å; R1148-E1571 PolarHBondContact NH1-OE2 2.83Å; G1149-E1571 PolarHBondContact N-OE1 3.38Å; V1153-E1571 HydrophobicContact CG2-CG 4.35Å; R1501-E1571 IonicContact CZ-OE2 3.91Å; R1501-E1571 IonicContact NE-OE2 3.92Å; R1501-E1571 IonicContact NH1-OE2 3.08Å; R1501-E1571 PolarHBondContact NH1-OE2 3.39Å; G1567-E1571 WeakPolarHBondContact O-CG 3.19Å; G1567-E1571 PolarHBondContact O-N 3.3Å; S1568-E1571 WeakPolarHBondContact O-CB 3.4Å; S1568-E1571 PolarHBondContact O-N 2.77Å; L1569-E1571 PolarHBondContact O-N 2.79Å; E1571-Y1574 PolarHBondContact O-N 2.66Å; E1571-D1575 WeakPolarHBondContact O-CB 3.17Å; E1571-D1575 VanDerWaalsContact O-CG 3.25Å; E1571-D1575 PolarHBondContact O-N 2.69Å |
| 1572 | V | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | G1497 L1500 R1501 L1504 V1525 L1529 S1568 L1569 Y1574 D1575 L1576 | G1497-V1572 WeakPolarHBondContact O-CG2 3.46Å; L1500-V1572 HydrophobicContact CB-CG1 4.12Å; L1500-V1572 HydrophobicContact CB-CG2 3.86Å; L1500-V1572 HydrophobicContact CD1-CG1 4.35Å; L1500-V1572 HydrophobicContact CD1-CG2 4.34Å; R1501-V1572 HydrophobicContact CG-CG2 3.72Å; L1504-V1572 HydrophobicContact CD1-CG1 4.23Å; V1525-V1572 HydrophobicContact CG1-CG1 3.7Å; L1529-V1572 HydrophobicContact CD1-CG1 4.03Å; S1568-V1572 WeakPolarHBondContact O-CG2 3.37Å; S1568-V1572 PolarHBondContact O-N 2.98Å; S1568-V1572 VanDerWaalsContact O-N 3.16Å; L1569-V1572 WeakPolarHBondContact O-CB 3.3Å; L1569-V1572 PolarHBondContact O-N 3.33Å; L1569-V1572 VanDerWaalsContact O-N 3.16Å; V1572-Y1574 VanDerWaalsContact C-N 3.31Å; V1572-Y1574 PolarHBondContact O-N 3.14Å; V1572-D1575 PolarHBondContact O-N 2.99Å; V1572-L1576 HydrophobicContact CG1-CD1 4.36Å; V1572-L1576 WeakPolarHBondContact O-CG 3.48Å; V1572-L1576 PolarHBondContact O-N 2.94Å |
| 1573 | C | 92.2 | Very high | 88.6 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 5% | 0.054 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 178.6 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L1078 L1569 L1570 D1577 | L1078-C1573 HydrophobicContact CD1-CB 3.75Å; L1569-C1573 PolarHBondContact O-N 2.72Å; L1569-C1573 VanDerWaalsContact O-N 3.08Å; L1570-C1573 PolarHBondContact O-N 2.89Å; C1573-D1577 PolarHBondContact O-N 2.88Å |
| 1574 | Y | 91.3 | Very high | 88.1 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 18% | 0.176 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 175.3 | -179 | -100.7 | 0 | 0 | 0 | 112 | F1070 V1153 M1207 L1570 E1571 V1572 L1576 D1577 E1578 | F1070-Y1574 HydrophobicContact CE2-CD2 4.28Å; F1070-Y1574 HydrophobicContact CZ-CD2 4.27Å; V1153-Y1574 HydrophobicContact CG1-CD2 4.13Å; V1153-Y1574 HydrophobicContact CG1-CG 4.15Å; V1153-Y1574 HydrophobicContact CG2-CD1 4.17Å; V1153-Y1574 HydrophobicContact CG2-CD2 4.36Å; V1153-Y1574 HydrophobicContact CG2-CG 3.94Å; M1207-Y1574 HydrophobicContact CE-CE1 4.06Å; L1570-Y1574 WeakPolarHBondContact O-CB 3.31Å; L1570-Y1574 PolarHBondContact O-N 2.98Å; E1571-Y1574 PolarHBondContact O-N 2.66Å; V1572-Y1574 VanDerWaalsContact C-N 3.31Å; V1572-Y1574 PolarHBondContact O-N 3.14Å; Y1574-L1576 VanDerWaalsContact C-N 3.34Å; Y1574-L1576 PolarHBondContact O-N 3.43Å; Y1574-D1577 PolarHBondContact O-N 3.39Å; Y1574-E1578 HydrophobicContact CD1-CG 4.05Å; Y1574-E1578 HydrophobicContact CD2-CG 4.15Å; Y1574-E1578 HydrophobicContact CE1-CG 3.59Å; Y1574-E1578 HydrophobicContact CE2-CG 3.67Å; Y1574-E1578 HydrophobicContact CG-CG 4.32Å; Y1574-E1578 WeakPolarHBondContact O-CB 3.43Å; Y1574-E1578 WeakPolarHBondContact O-CG 3.33Å; Y1574-E1578 PolarHBondContact O-N 3.21Å |
| 1575 | D | 92.3 | Very high | 87.7 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -36.2 | 179.3 | -71.3 | 1.5 | 0 | 0 | 0 | 111.3 | R1148 R1501 L1504 E1571 V1572 D1577 F1579 | R1148-D1575 IonicContact CZ-OD1 3.32Å; R1148-D1575 IonicContact NH1-OD1 3.83Å; R1148-D1575 IonicContact NH2-OD1 3.27Å; R1148-D1575 PolarHBondContact NH2-OD1 3.5Å; R1501-D1575 IonicContact CZ-OD2 2.66Å; R1501-D1575 VanDerWaalsContact CZ-OD2 3.29Å; R1501-D1575 IonicContact NE-OD2 3.24Å; R1501-D1575 PolarHBondContact NE-OD2 3.18Å; R1501-D1575 IonicContact NH2-OD1 3.07Å; R1501-D1575 IonicContact NH2-OD2 3.7Å; R1501-D1575 PolarHBondContact NH2-OD2 2.93Å; L1504-D1575 HydrophobicContact CD1-CB 4.42Å; E1571-D1575 WeakPolarHBondContact O-CB 3.17Å; E1571-D1575 VanDerWaalsContact O-CG 3.25Å; E1571-D1575 PolarHBondContact O-N 2.69Å; V1572-D1575 PolarHBondContact O-N 2.99Å; D1575-D1577 VanDerWaalsContact C-N 3.32Å; D1575-D1577 PolarHBondContact O-N 3.09Å; D1575-F1579 HydrophobicContact CB-CE1 4.27Å; D1575-F1579 HydrophobicContact CB-CE2 4.19Å; D1575-F1579 HydrophobicContact CB-CZ 4.08Å; D1575-F1579 WeakPolarHBondContact O-CB 3.38Å; D1575-F1579 WeakPolarHBondContact O-CD1 3.44Å; D1575-F1579 WeakPolarHBondContact O-CG 3.5Å; D1575-F1579 PolarHBondContact O-N 3.32Å |
| 1576 | L | 90.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 172.6 | -81.1 | 170.8 | 0 | 0 | 0 | 112.5 | F89 L1504 V1522 V1525 Q1526 L1529 V1572 Y1574 | F89-L1576 HydrophobicContact CZ-CD1 3.93Å; L1504-L1576 HydrophobicContact CD1-CD2 3.9Å; L1504-L1576 HydrophobicContact CD1-CG 3.86Å; L1504-L1576 HydrophobicContact CD2-CD2 3.65Å; L1504-L1576 HydrophobicContact CG-CD2 4.44Å; V1522-L1576 HydrophobicContact CB-CD2 4.46Å; V1522-L1576 HydrophobicContact CG1-CD2 3.99Å; V1522-L1576 HydrophobicContact CG2-CD2 4.2Å; V1525-L1576 HydrophobicContact CG1-CD1 4.32Å; Q1526-L1576 HydrophobicContact CG-CD1 4.3Å; L1529-L1576 HydrophobicContact CD1-CD1 4.36Å; V1572-L1576 HydrophobicContact CG1-CD1 4.36Å; V1572-L1576 WeakPolarHBondContact O-CG 3.48Å; V1572-L1576 PolarHBondContact O-N 2.94Å; Y1574-L1576 VanDerWaalsContact C-N 3.34Å; Y1574-L1576 PolarHBondContact O-N 3.43Å |
| 1577 | D | 86.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.5 | -53.3 | 179.8 | -178.2 | 33.7 | 0 | 0 | 0 | 111.8 | N84 H86 C1573 Y1574 D1575 F1579 E1580 K1581 | N84-D1577 PolarHBondContact ND2-OD1 3.36Å; N84-D1577 PolarHBondContact ND2-OD2 3.33Å; N84-D1577 PolarHBondContact OD1-OD1 3.47Å; H86-D1577 IonicContact CD2-OD1 3.05Å; C1573-D1577 PolarHBondContact O-N 2.88Å; Y1574-D1577 PolarHBondContact O-N 3.39Å; D1575-D1577 VanDerWaalsContact C-N 3.32Å; D1575-D1577 PolarHBondContact O-N 3.09Å; D1577-F1579 PolarHBondContact O-N 3.26Å; D1577-E1580 PolarHBondContact O-N 3.2Å; D1577-K1581 VanDerWaalsContact CG-CE 3.47Å; D1577-K1581 VanDerWaalsContact CG-NZ 3.3Å; D1577-K1581 PolarHBondContact O-N 3.02Å; D1577-K1581 WeakPolarHBondContact OD1-CE 3.3Å; D1577-K1581 IonicContact OD1-NZ 2.68Å; D1577-K1581 PolarHBondContact OD1-NZ 2.94Å; D1577-K1581 WeakPolarHBondContact OD2-CE 3.26Å; D1577-K1581 IonicContact OD2-NZ 3.58Å; D1577-K1581 PolarHBondContact OD2-NZ 2.53Å |
| 1578 | E | 85.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -36.8 | -176.3 | -72.7 | -62.9 | 111.2 | 0 | 0 | 113 | Y1574 E1580 K1581 L1582 | Y1574-E1578 HydrophobicContact CD1-CG 4.05Å; Y1574-E1578 HydrophobicContact CD2-CG 4.15Å; Y1574-E1578 HydrophobicContact CE1-CG 3.59Å; Y1574-E1578 HydrophobicContact CE2-CG 3.67Å; Y1574-E1578 HydrophobicContact CG-CG 4.32Å; Y1574-E1578 WeakPolarHBondContact O-CB 3.43Å; Y1574-E1578 WeakPolarHBondContact O-CG 3.33Å; Y1574-E1578 PolarHBondContact O-N 3.21Å; E1578-E1580 PolarHBondContact O-N 3.36Å; E1578-K1581 PolarHBondContact O-N 2.99Å; E1578-K1581 IonicContact OE1-NZ 2.62Å; E1578-K1581 PolarHBondContact OE1-NZ 3.19Å; E1578-L1582 WeakPolarHBondContact O-CG 3.17Å; E1578-L1582 PolarHBondContact O-N 3.05Å |
| 1579 | F | 86.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71 | -19.5 | -179.6 | -68.3 | 3.6 | 0 | 0 | 0 | 112.5 | L1504 R1508 K1511 W1518 D1575 D1577 | L1504-F1579 HydrophobicContact CB-CD2 4.17Å; L1504-F1579 HydrophobicContact CB-CE2 4.06Å; R1508-F1579 HydrophobicContact CB-CD2 3.95Å; R1508-F1579 HydrophobicContact CB-CE2 4.36Å; R1508-F1579 VanDerWaalsContact CD-CG 3.44Å; R1508-F1579 HydrophobicContact CG-CD2 4.24Å; R1508-F1579 HydrophobicContact CG-CG 4.37Å; K1511-F1579 PolarHBondContact NZ-O 3.27Å; W1518-F1579 HydrophobicContact CH2-CB 3.63Å; W1518-F1579 HydrophobicContact CH2-CD2 4.01Å; W1518-F1579 HydrophobicContact CH2-CG 4.36Å; W1518-F1579 HydrophobicContact CZ2-CB 4.14Å; W1518-F1579 HydrophobicContact CZ3-CD2 4.34Å; D1575-F1579 HydrophobicContact CB-CE1 4.27Å; D1575-F1579 HydrophobicContact CB-CE2 4.19Å; D1575-F1579 HydrophobicContact CB-CZ 4.08Å; D1575-F1579 WeakPolarHBondContact O-CB 3.38Å; D1575-F1579 WeakPolarHBondContact O-CD1 3.44Å; D1575-F1579 WeakPolarHBondContact O-CG 3.5Å; D1575-F1579 PolarHBondContact O-N 3.32Å; D1577-F1579 PolarHBondContact O-N 3.26Å |
| 1580 | E | 79.3 | Confident | 84.3 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -84.5 | -31.3 | 170.3 | -80.8 | -67.3 | -176.7 | 0 | 0 | 113.4 | H86 K1511 W1518 D1577 E1578 R1583 | H86-E1580 HydrophobicContact CB-CB 4.4Å; H86-E1580 VanDerWaalsContact CD2-CB 3.41Å; H86-E1580 WeakPolarHBondContact CD2-CB 3.46Å; H86-E1580 WeakPolarHBondContact NE2-CB 3.29Å; K1511-E1580 IonicContact NZ-OE1 3.05Å; K1511-E1580 IonicContact NZ-OE2 3.81Å; K1511-E1580 PolarHBondContact NZ-OE2 3.48Å; W1518-E1580 HydrophobicContact CZ2-CG 4.19Å; W1518-E1580 PolarHBondContact NE1-OE1 3.3Å; D1577-E1580 PolarHBondContact O-N 3.2Å; E1578-E1580 PolarHBondContact O-N 3.36Å; E1580-R1583 VanDerWaalsContact O-CG 3.23Å; E1580-R1583 WeakPolarHBondContact O-CG 3.46Å |
| 1581 | K | 77.3 | Confident | 83.6 | Confident | 110 Ų | 110 | 49.8 Ų | 49.8 | 48% | 0.478 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.3 | -32.6 | 176.4 | -69.2 | 178.3 | -164.5 | 151.4 | 0 | 113.7 | D1577 E1578 R1583 | D1577-K1581 VanDerWaalsContact CG-CE 3.47Å; D1577-K1581 VanDerWaalsContact CG-NZ 3.3Å; D1577-K1581 PolarHBondContact O-N 3.02Å; D1577-K1581 WeakPolarHBondContact OD1-CE 3.3Å; D1577-K1581 IonicContact OD1-NZ 2.68Å; D1577-K1581 PolarHBondContact OD1-NZ 2.94Å; D1577-K1581 WeakPolarHBondContact OD2-CE 3.26Å; D1577-K1581 IonicContact OD2-NZ 3.58Å; D1577-K1581 PolarHBondContact OD2-NZ 2.53Å; E1578-K1581 PolarHBondContact O-N 2.99Å; E1578-K1581 IonicContact OE1-NZ 2.62Å; E1578-K1581 PolarHBondContact OE1-NZ 3.19Å; K1581-R1583 PolarHBondContact O-N 2.84Å |
| 1582 | L | 63.6 | Low | 82.6 | Confident | 106 Ų | 106 | 54 Ų | 54 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | trans | -74.1 | 49.4 | -178.9 | -70.1 | 167.9 | 0 | 0 | 0 | 113.1 | E1578 | E1578-L1582 WeakPolarHBondContact O-CG 3.17Å; E1578-L1582 PolarHBondContact O-N 3.05Å | ||
| 1583 | R | 50.4 | Low | 81.4 | Confident | 256 Ų | 256 | 58.9 Ų | 58.9 | 97% | 0.966 | 26% | 0.255 | S | S | * | . | trans | -68.7 | 0 | -179 | -70 | -166.2 | 175.5 | 176 | 0.5 | 114 | E1580 K1581 | E1580-R1583 VanDerWaalsContact O-CG 3.23Å; E1580-R1583 WeakPolarHBondContact O-CG 3.46Å; K1581-R1583 PolarHBondContact O-N 2.84Å |
Retrieved 1,583 of 1,583 residues in 632.8 ms
(Link to these results)