| 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 | 32.6 | Very low | 36 | Very low | 148 Ų | 148 | 78.5 Ų | 78.5 | 73% | 0.729 | 40% | 0.4 | S | S | * | . | 0 | 100.8 | 0 | -171.9 | 172.8 | -170 | 0 | 0 | 106.4 | F40 T43 | M1-F40 HydrophobicContact CE-CB 3.84Å; M1-F40 HydrophobicContact CE-CD1 3.25Å; M1-F40 HydrophobicContact CE-CE1 3.95Å; M1-F40 HydrophobicContact CE-CG 3.74Å; M1-F40 HydrophobicContact CG-CD1 4.38Å; M1-F40 HydrophobicContact SD-CD1 4.41Å; M1-T43 VanDerWaalsContact N-CG2 3.32Å; M1-T43 PolarHBondContact N-OG1 3Å | |||
| 2 | L | 28.9 | Very low | 36.1 | Very low | 101 Ų | 101 | 80.7 Ų | 80.7 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 141.1 | 172.6 | -103.4 | 110.1 | 0 | 0 | 0 | 108.4 | E4 V41 | L2-E4 HydrophobicContact CD2-CG 4.44Å; L2-V41 PolarHBondContact N-O 2.89Å; L2-V41 PolarHBondContact O-N 2.67Å |
| 3 | I | 28.9 | Very low | 36.6 | Very low | 97 Ų | 97 | 76.8 Ų | 76.8 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 106.7 | 174.3 | -60 | 178.2 | 0 | 0 | 0 | 105.9 | L38 F40 | I3-L38 HydrophobicContact CG2-CB 4.18Å; I3-L38 HydrophobicContact CG2-CD1 3.83Å; I3-L38 HydrophobicContact CG2-CD2 3.72Å; I3-L38 HydrophobicContact CG2-CG 4.13Å; I3-F40 HydrophobicContact CD1-CD1 4.41Å; I3-F40 HydrophobicContact CD1-CE1 3.77Å; I3-F40 HydrophobicContact CG1-CD1 3.88Å; I3-F40 HydrophobicContact CG1-CE1 3.72Å |
| 4 | E | 33.5 | Very low | 36.5 | Very low | 92 Ų | 92 | 77.6 Ų | 77.6 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.6 | 177 | -73.3 | -177.5 | 178 | 0 | 0 | 110 | L2 H6 L38 E39 | L2-E4 HydrophobicContact CD2-CG 4.44Å; E4-H6 VanDerWaalsContact CB-NE2 3.26Å; E4-H6 WeakPolarHBondContact CB-NE2 3.34Å; E4-H6 PolarHBondContact O-CD2 3.42Å; E4-H6 IonicContact OE2-CE1 2.7Å; E4-H6 IonicContact OE2-NE2 3.71Å; E4-L38 WeakPolarHBondContact O-CA 3.19Å; E4-E39 PolarHBondContact N-O 3Å; E4-E39 PolarHBondContact O-N 3.01Å |
| 5 | V | 34.6 | Very low | 36.9 | Very low | 89 Ų | 89 | 76 Ų | 76 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.9 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | F36 R37 L38 | V5-F36 HydrophobicContact CG1-CB 4.4Å; V5-F36 HydrophobicContact CG1-CD1 4.19Å; V5-R37 WeakPolarHBondContact CA-O 3.15Å; V5-L38 HydrophobicContact CB-CD2 4.44Å; V5-L38 HydrophobicContact CG2-CD2 3.66Å |
| 6 | H | 36.7 | Very low | 37.1 | Very low | 56 Ų | 56 | 78.9 Ų | 78.9 | 26% | 0.259 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -12.9 | -171 | -74.6 | -88.3 | 0 | 0 | 0 | 114.6 | E4 R37 E39 T101 | E4-H6 VanDerWaalsContact CB-NE2 3.26Å; E4-H6 WeakPolarHBondContact CB-NE2 3.34Å; E4-H6 PolarHBondContact O-CD2 3.42Å; E4-H6 IonicContact OE2-CE1 2.7Å; E4-H6 IonicContact OE2-NE2 3.71Å; H6-R37 PolarHBondContact N-O 3.33Å; H6-E39 WeakPolarHBondContact CD2-CB 3.46Å; H6-E39 IonicContact CD2-OE2 2.75Å; H6-E39 IonicContact CE1-OE2 2.66Å; H6-E39 PolarHBondContact CE1-OE2 3.1Å; H6-E39 WeakPolarHBondContact NE2-CB 3.29Å; H6-E39 IonicContact NE2-OE2 3.85Å; H6-E39 PolarHBondContact NE2-OE2 3.14Å; H6-T101 HydrophobicContact CB-CG2 3.8Å; H6-T101 WeakPolarHBondContact O-CB 3.44Å; H6-T101 PolarHBondContact O-OG1 2.8Å |
| 7 | G | 39.5 | Very low | 37.2 | Very low | 10 Ų | 10 | 77.5 Ų | 77.5 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 136.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F36 R37 | G7-F36 CarbonylContact O-C 3.53Å; G7-F36 VanDerWaalsContact O-CA 3.28Å; G7-F36 WeakPolarHBondContact O-CA 3.43Å; G7-R37 PolarHBondContact O-N 2.79Å |
| 8 | L | 40 | Very low | 37.3 | Very low | 94 Ų | 94 | 76.6 Ų | 76.6 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.8 | -179.6 | 178.8 | 67.1 | 0 | 0 | 0 | 107.8 | Q10 E34 G35 F36 | L8-Q10 HydrophobicContact CD1-CG 4Å; L8-Q10 HydrophobicContact CD2-CG 4.25Å; L8-Q10 HydrophobicContact CG-CG 3.93Å; L8-E34 HydrophobicContact CD1-CG 3.61Å; L8-E34 VanDerWaalsContact CD1-OE1 3.25Å; L8-E34 WeakPolarHBondContact CD1-OE1 3.48Å; L8-G35 CarbonylContact C-O 3.49Å; L8-G35 WeakPolarHBondContact CA-O 2.98Å; L8-F36 HydrophobicContact CD1-CD1 3.44Å; L8-F36 VanDerWaalsContact CD1-CD1 3.44Å; L8-F36 HydrophobicContact CD1-CE1 3.25Å; L8-F36 HydrophobicContact CD1-CG 4.37Å; L8-F36 HydrophobicContact CD1-CZ 4.06Å |
| 9 | L | 37.8 | Very low | 37.4 | Very low | 29 Ų | 29 | 75.4 Ų | 75.4 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 98 | 174.3 | 178.6 | 64.3 | 0 | 0 | 0 | 108.4 | F11 E34 G35 F96 L103 | L9-F11 HydrophobicContact CD1-CD1 4.17Å; L9-F11 HydrophobicContact CD2-CD1 4.24Å; L9-F11 HydrophobicContact CD2-CE1 3.81Å; L9-F11 HydrophobicContact CG-CD1 3.85Å; L9-F11 HydrophobicContact CG-CE1 3.91Å; L9-E34 CarbonylContact O-C 3.42Å; L9-E34 WeakPolarHBondContact O-CA 3.1Å; L9-G35 PolarHBondContact N-O 2.82Å; L9-G35 PolarHBondContact O-N 2.79Å; L9-F96 HydrophobicContact CD2-CD1 3.76Å; L9-F96 HydrophobicContact CD2-CE1 3.79Å; L9-L103 HydrophobicContact CB-CB 4.01Å; L9-L103 WeakPolarHBondContact CD1-O 3.45Å; L9-L103 HydrophobicContact CD2-CB 3.79Å; L9-L103 HydrophobicContact CG-CB 4.41Å |
| 10 | Q | 42.9 | Very low | 37.9 | Very low | 100 Ų | 100 | 79.8 Ų | 79.8 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.6 | 174.5 | -71.8 | 175.4 | -10.3 | 0 | 0 | 109.4 | L8 Y32 F33 E34 | L8-Q10 HydrophobicContact CD1-CG 4Å; L8-Q10 HydrophobicContact CD2-CG 4.25Å; L8-Q10 HydrophobicContact CG-CG 3.93Å; Q10-Y32 HydrophobicContact CB-CE2 4.22Å; Q10-Y32 HydrophobicContact CG-CE2 4.23Å; Q10-Y32 VanDerWaalsContact CG-OH 3.29Å; Q10-Y32 WeakPolarHBondContact CG-OH 3.18Å; Q10-Y32 PolarHBondContact NE2-OH 2.65Å; Q10-F33 CarbonylContact C-O 3.54Å; Q10-F33 VanDerWaalsContact CA-O 3.25Å; Q10-F33 WeakPolarHBondContact CA-O 3.09Å; Q10-E34 HydrophobicContact CG-CB 4.07Å; Q10-E34 HydrophobicContact CG-CG 3.6Å; Q10-E34 VanDerWaalsContact NE2-CD 3.3Å; Q10-E34 PolarHBondContact NE2-OE1 3.2Å |
| 11 | F | 40.8 | Very low | 38.2 | Very low | 47 Ų | 47 | 82 Ų | 82 | 21% | 0.206 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.7 | 170.1 | 59.5 | -78.4 | 0 | 0 | 0 | 111.9 | L9 T13 F33 F96 V105 | L9-F11 HydrophobicContact CD1-CD1 4.17Å; L9-F11 HydrophobicContact CD2-CD1 4.24Å; L9-F11 HydrophobicContact CD2-CE1 3.81Å; L9-F11 HydrophobicContact CG-CD1 3.85Å; L9-F11 HydrophobicContact CG-CE1 3.91Å; F11-T13 HydrophobicContact CD2-CG2 3.35Å; F11-T13 HydrophobicContact CE2-CG2 3.16Å; F11-T13 HydrophobicContact CZ-CG2 4.35Å; F11-F33 HydrophobicContact CD1-CB 4.36Å; F11-F33 HydrophobicContact CD1-CD1 4.12Å; F11-F33 HydrophobicContact CE1-CB 4.03Å; F11-F33 AromaticContact CE1-CD1 3.34Å; F11-F33 HydrophobicContact CE1-CD1 3.34Å; F11-F33 HydrophobicContact CE1-CE1 4.06Å; F11-F33 AromaticContact CE1-CG 3.93Å; F11-F33 HydrophobicContact CE1-CG 3.93Å; F11-F33 HydrophobicContact CE2-CB 4.37Å; F11-F33 HydrophobicContact CZ-CB 4.02Å; F11-F33 AromaticContact CZ-CD1 3.78Å; F11-F33 HydrophobicContact CZ-CD1 3.78Å; F11-F33 HydrophobicContact CZ-CE1 4.46Å; F11-F33 AromaticContact CZ-CG 3.97Å; F11-F33 HydrophobicContact CZ-CG 3.97Å; F11-F33 PolarHBondContact N-O 3.15Å; F11-F33 PolarHBondContact O-N 2.92Å; F11-F96 HydrophobicContact CE1-CE1 4.12Å; F11-F96 HydrophobicContact CZ-CE1 4.09Å; F11-V105 HydrophobicContact CE1-CG2 4.2Å; F11-V105 HydrophobicContact CE2-CG2 4.19Å; F11-V105 HydrophobicContact CZ-CG2 3.77Å |
| 12 | L | 37.5 | Very low | 38.7 | Very low | 105 Ų | 105 | 77.4 Ų | 77.4 | 55% | 0.55 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.1 | 171.3 | -68.9 | 162.5 | 0 | 0 | 0 | 107 | L30 S31 Y32 | L12-L30 HydrophobicContact CB-CD1 4.16Å; L12-L30 HydrophobicContact CD1-CD1 4.4Å; L12-L30 HydrophobicContact CD2-CD1 3.96Å; L12-L30 HydrophobicContact CD2-CD2 4.07Å; L12-L30 HydrophobicContact CD2-CG 3.87Å; L12-L30 HydrophobicContact CG-CD1 4.4Å; L12-S31 CarbonylContact C-O 3.59Å; L12-S31 WeakPolarHBondContact CA-O 3.33Å; L12-Y32 HydrophobicContact CD2-CD2 4.2Å |
| 13 | T | 41.7 | Very low | 39 | Very low | 31 Ų | 31 | 75.5 Ų | 75.5 | 19% | 0.19 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127 | 173.3 | 56.5 | 0 | 0 | 0 | 0 | 108.9 | F11 W15 S31 | F11-T13 HydrophobicContact CD2-CG2 3.35Å; F11-T13 HydrophobicContact CE2-CG2 3.16Å; F11-T13 HydrophobicContact CZ-CG2 4.35Å; T13-W15 WeakPolarHBondContact OG1-CZ3 3.49Å; T13-S31 PolarHBondContact N-O 2.84Å; T13-S31 PolarHBondContact O-N 3Å; T13-S31 WeakPolarHBondContact OG1-CB 3.37Å; T13-S31 PolarHBondContact OG1-O 3.45Å |
| 14 | T | 36.3 | Very low | 39.2 | Very low | 87 Ų | 87 | 78.1 Ų | 78.1 | 53% | 0.534 | 42% | 0.422 | S | S | . | . | trans | -115.7 | 122.7 | 164.6 | 55.2 | 0 | 0 | 0 | 0 | 107.2 | T28 L30 | T14-T28 HydrophobicContact CG2-CG2 3.52Å; T14-L30 HydrophobicContact CG2-CD1 4.26Å | ||
| 15 | W | 42.7 | Very low | 39.2 | Very low | 54 Ų | 54 | 81.2 Ų | 81.2 | 21% | 0.205 | 43% | 0.431 | C | S | . | . | trans | -113.2 | 148.5 | 173.3 | 53.1 | 84.7 | 0 | 0 | 0 | 109.6 | T13 T27 V29 S31 Y67 | T13-W15 WeakPolarHBondContact OG1-CZ3 3.49Å; W15-T27 VanDerWaalsContact O-O 3.07Å; W15-V29 HydrophobicContact CH2-CB 4.14Å; W15-V29 HydrophobicContact CH2-CG1 3.94Å; W15-V29 HydrophobicContact CZ2-CB 3.3Å; W15-V29 HydrophobicContact CZ2-CG1 3.38Å; W15-V29 HydrophobicContact CZ2-CG2 4.03Å; W15-S31 VanDerWaalsContact CH2-OG 3.27Å; W15-S31 WeakPolarHBondContact CH2-OG 3.28Å; W15-Y67 AromaticContact CE2-CE2 3.56Å; W15-Y67 AromaticContact CE2-CZ 3.47Å; W15-Y67 VanDerWaalsContact CE2-CZ 3.47Å; W15-Y67 AromaticContact CH2-CD2 3.6Å; W15-Y67 HydrophobicContact CH2-CD2 3.6Å; W15-Y67 AromaticContact CH2-CE2 3.45Å; W15-Y67 HydrophobicContact CH2-CE2 3.45Å; W15-Y67 VanDerWaalsContact CH2-CE2 3.45Å; W15-Y67 HydrophobicContact CH2-CG 4.27Å; W15-Y67 AromaticContact CH2-CZ 3.89Å; W15-Y67 AromaticContact CZ2-CD2 3.54Å; W15-Y67 HydrophobicContact CZ2-CD2 3.54Å; W15-Y67 HydrophobicContact CZ2-CE1 4.3Å; W15-Y67 AromaticContact CZ2-CE2 2.89Å; W15-Y67 HydrophobicContact CZ2-CE2 2.89Å; W15-Y67 HydrophobicContact CZ2-CG 4.48Å; W15-Y67 AromaticContact CZ2-CZ 3.31Å; W15-Y67 WeakPolarHBondContact CZ2-OH 3.44Å; W15-Y67 AromaticContact NE1-CE2 3.96Å; W15-Y67 AromaticContact NE1-CZ 3.66Å; W15-Y67 PolarHBondContact NE1-OH 3.3Å | ||
| 16 | Q | 39 | Very low | 39 | Very low | 123 Ų | 123 | 83.1 Ų | 83.1 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | trans | -112.2 | 124.8 | 171.4 | -71.5 | 173.3 | -5.5 | 0 | 0 | 106.8 | M26 | Q16-M26 HydrophobicContact CG-CG 4.16Å; Q16-M26 PolarHBondContact NE2-SD 3.03Å | ||
| 17 | E | 39.3 | Very low | 38.9 | Very low | 54 Ų | 54 | 84.7 Ų | 84.7 | 25% | 0.252 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.8 | 171.9 | -77.1 | -173.7 | 156 | 0 | 0 | 109.6 | P89 | E17-P89 WeakPolarHBondContact OE1-CB 3.2Å |
| 18 | A | 39.2 | Very low | 38.7 | Very low | 61 Ų | 61 | 87.5 Ų | 87.5 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | F24 | A18-F24 HydrophobicContact CB-CD1 4.15Å; A18-F24 HydrophobicContact CB-CE1 3.83Å; A18-F24 HydrophobicContact CB-CZ 4.32Å |
| 19 | T | 38.6 | Very low | 38.8 | Very low | 54 Ų | 54 | 83.3 Ų | 83.3 | 33% | 0.331 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -72 | 158.2 | 172.5 | 64 | 0 | 0 | 0 | 0 | 110.2 | D21 G22 T23 Y25 | T19-D21 WeakPolarHBondContact CB-OD1 3.27Å; T19-D21 PolarHBondContact O-N 2.02Å; T19-D21 VanDerWaalsContact O-N 3.07Å; T19-D21 PolarHBondContact OG1-OD1 2.9Å; T19-G22 PolarHBondContact O-N 3.37Å; T19-T23 PolarHBondContact N-O 3.45Å; T19-T23 PolarHBondContact OG1-O 3.22Å; T19-T23 VanDerWaalsContact OG1-O 3.08Å; T19-Y25 HydrophobicContact CG2-CD2 4.49Å |
| 20 | I | 47.6 | Very low | 38.7 | Very low | 164 Ų | 164 | 85.2 Ų | 85.2 | 84% | 0.841 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.6 | -174.5 | -63 | 169.3 | 0 | 0 | 0 | 112.3 | G22 | I20-G22 VanDerWaalsContact C-N 3.27Å; I20-G22 PolarHBondContact O-N 2.7Å |
| 21 | D | 45 | Very low | 38.7 | Very low | 127 Ų | 127 | 80.4 Ų | 80.4 | 68% | 0.679 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.5 | 177 | 46.2 | -30.7 | 0 | 0 | 0 | 114.2 | T19 T23 | T19-D21 WeakPolarHBondContact CB-OD1 3.27Å; T19-D21 PolarHBondContact O-N 2.02Å; T19-D21 VanDerWaalsContact O-N 3.07Å; T19-D21 PolarHBondContact OG1-OD1 2.9Å; D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 3.05Å; D21-T23 PolarHBondContact OD2-OG1 3.3Å |
| 22 | G | 42.3 | Very low | 38.7 | Very low | 50 Ų | 50 | 81 Ų | 81 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 79.4 | 4.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T19 I20 F24 | T19-G22 PolarHBondContact O-N 3.37Å; I20-G22 VanDerWaalsContact C-N 3.27Å; I20-G22 PolarHBondContact O-N 2.7Å; G22-F24 PolarHBondContact O-N 3.33Å |
| 23 | T | 34.6 | Very low | 39 | Very low | 61 Ų | 61 | 76.2 Ų | 76.2 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | trans | -78.9 | 114.6 | 175.1 | -23.5 | 0 | 0 | 0 | 0 | 109.2 | T19 D21 Y25 | T19-T23 PolarHBondContact N-O 3.45Å; T19-T23 PolarHBondContact OG1-O 3.22Å; T19-T23 VanDerWaalsContact OG1-O 3.08Å; D21-T23 VanDerWaalsContact C-N 3.26Å; D21-T23 PolarHBondContact O-N 3.05Å; D21-T23 PolarHBondContact OD2-OG1 3.3Å; T23-Y25 HydrophobicContact CG2-CD2 4.29Å; T23-Y25 HydrophobicContact CG2-CE2 3.87Å; T23-Y25 PolarHBondContact O-N 2.89Å | ||
| 24 | F | 33.1 | Very low | 39.1 | Very low | 153 Ų | 153 | 76 Ų | 76 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 92.6 | 170.5 | -70.8 | -86.2 | 0 | 0 | 0 | 108.9 | A18 G22 M26 | A18-F24 HydrophobicContact CB-CD1 4.15Å; A18-F24 HydrophobicContact CB-CE1 3.83Å; A18-F24 HydrophobicContact CB-CZ 4.32Å; G22-F24 PolarHBondContact O-N 3.33Å; F24-M26 PolarHBondContact O-N 2.92Å |
| 25 | Y | 33.9 | Very low | 39.6 | Very low | 156 Ų | 156 | 71.9 Ų | 71.9 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 114.6 | 158.4 | -76.7 | -82.9 | 0 | 0 | 0 | 107.7 | T19 T23 T27 | T19-Y25 HydrophobicContact CG2-CD2 4.49Å; T23-Y25 HydrophobicContact CG2-CD2 4.29Å; T23-Y25 HydrophobicContact CG2-CE2 3.87Å; T23-Y25 PolarHBondContact O-N 2.89Å; Y25-T27 PolarHBondContact O-N 3.18Å |
| 26 | M | 30.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 72.1 Ų | 72.1 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | trans | -69.5 | 78.2 | 164.4 | -78.9 | -148.9 | -63.7 | 0 | 0 | 109 | Q16 F24 T28 | Q16-M26 HydrophobicContact CG-CG 4.16Å; Q16-M26 PolarHBondContact NE2-SD 3.03Å; F24-M26 PolarHBondContact O-N 2.92Å; M26-T28 PolarHBondContact O-N 2.79Å | ||
| 27 | T | 33.9 | Very low | 40.1 | Very low | 88 Ų | 88 | 67.4 Ų | 67.4 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | trans | -78.1 | 84.6 | 161.6 | -40.2 | 0 | 0 | 0 | 0 | 106.5 | W15 Y25 V29 | W15-T27 VanDerWaalsContact O-O 3.07Å; Y25-T27 PolarHBondContact O-N 3.18Å; T27-V29 VanDerWaalsContact C-N 3.28Å; T27-V29 HydrophobicContact CG2-CG2 3.9Å; T27-V29 PolarHBondContact O-N 3.04Å | ||
| 28 | T | 36.1 | Very low | 40.2 | Very low | 69 Ų | 69 | 65.9 Ų | 65.9 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | trans | -71.3 | 89.6 | 175.1 | -56 | 0 | 0 | 0 | 0 | 107.8 | T14 M26 | T14-T28 HydrophobicContact CG2-CG2 3.52Å; M26-T28 PolarHBondContact O-N 2.79Å | ||
| 29 | V | 41.3 | Very low | 40.1 | Very low | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | trans | -85.1 | 121.7 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | W15 T27 Q63 | W15-V29 HydrophobicContact CH2-CB 4.14Å; W15-V29 HydrophobicContact CH2-CG1 3.94Å; W15-V29 HydrophobicContact CZ2-CB 3.3Å; W15-V29 HydrophobicContact CZ2-CG1 3.38Å; W15-V29 HydrophobicContact CZ2-CG2 4.03Å; T27-V29 VanDerWaalsContact C-N 3.28Å; T27-V29 HydrophobicContact CG2-CG2 3.9Å; T27-V29 PolarHBondContact O-N 3.04Å; V29-Q63 HydrophobicContact CG1-CB 4.36Å | ||
| 30 | L | 36.1 | Very low | 40.1 | Very low | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | trans | -92.3 | 103.6 | -178.5 | -169.1 | 85.9 | 0 | 0 | 0 | 109.2 | L12 T14 | L12-L30 HydrophobicContact CB-CD1 4.16Å; L12-L30 HydrophobicContact CD1-CD1 4.4Å; L12-L30 HydrophobicContact CD2-CD1 3.96Å; L12-L30 HydrophobicContact CD2-CD2 4.07Å; L12-L30 HydrophobicContact CD2-CG 3.87Å; L12-L30 HydrophobicContact CG-CD1 4.4Å; T14-L30 HydrophobicContact CG2-CD1 4.26Å | ||
| 31 | S | 43.7 | Very low | 39.6 | Very low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.2 | 175.4 | -92.8 | 0 | 0 | 0 | 0 | 111.3 | L12 T13 W15 F59 D61 | L12-S31 CarbonylContact C-O 3.59Å; L12-S31 WeakPolarHBondContact CA-O 3.33Å; T13-S31 PolarHBondContact N-O 2.84Å; T13-S31 PolarHBondContact O-N 3Å; T13-S31 WeakPolarHBondContact OG1-CB 3.37Å; T13-S31 PolarHBondContact OG1-O 3.45Å; W15-S31 VanDerWaalsContact CH2-OG 3.27Å; W15-S31 WeakPolarHBondContact CH2-OG 3.28Å; S31-F59 WeakPolarHBondContact OG-CZ 3.44Å; S31-D61 PolarHBondContact OG-OD1 3.03Å; S31-D61 PolarHBondContact OG-OD2 2.91Å |
| 32 | Y | 40.4 | Very low | 39.1 | Very low | 60 Ų | 60 | 56 Ų | 56 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.8 | -179.3 | 173.6 | -97.6 | 0 | 0 | 0 | 110 | Q10 L12 E34 Y58 F59 S60 | Q10-Y32 HydrophobicContact CB-CE2 4.22Å; Q10-Y32 HydrophobicContact CG-CE2 4.23Å; Q10-Y32 VanDerWaalsContact CG-OH 3.29Å; Q10-Y32 WeakPolarHBondContact CG-OH 3.18Å; Q10-Y32 PolarHBondContact NE2-OH 2.65Å; L12-Y32 HydrophobicContact CD2-CD2 4.2Å; Y32-E34 HydrophobicContact CE1-CB 3.75Å; Y32-E34 VanDerWaalsContact CE1-OE2 3.27Å; Y32-E34 WeakPolarHBondContact CE1-OE2 3.37Å; Y32-E34 PolarHBondContact OH-OE2 2.7Å; Y32-Y58 HydrophobicContact CD1-CD1 4.39Å; Y32-Y58 HydrophobicContact CD1-CE1 4.36Å; Y32-Y58 HydrophobicContact CE1-CD1 4.15Å; Y32-Y58 HydrophobicContact CE1-CE1 4.29Å; Y32-F59 CarbonylContact O-C 3.39Å; Y32-F59 WeakPolarHBondContact O-CA 3.37Å; Y32-F59 WeakPolarHBondContact O-CD2 3Å; Y32-S60 PolarHBondContact N-O 3.33Å; Y32-S60 PolarHBondContact O-N 3.26Å |
| 33 | F | 43.8 | Very low | 38.7 | Very low | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.9 | 176.2 | -173.4 | -84.7 | 0 | 0 | 0 | 110.4 | Q10 F11 M57 F59 V77 F79 F96 | Q10-F33 CarbonylContact C-O 3.54Å; Q10-F33 VanDerWaalsContact CA-O 3.25Å; Q10-F33 WeakPolarHBondContact CA-O 3.09Å; F11-F33 HydrophobicContact CD1-CB 4.36Å; F11-F33 HydrophobicContact CD1-CD1 4.12Å; F11-F33 HydrophobicContact CE1-CB 4.03Å; F11-F33 AromaticContact CE1-CD1 3.34Å; F11-F33 HydrophobicContact CE1-CD1 3.34Å; F11-F33 HydrophobicContact CE1-CE1 4.06Å; F11-F33 AromaticContact CE1-CG 3.93Å; F11-F33 HydrophobicContact CE1-CG 3.93Å; F11-F33 HydrophobicContact CE2-CB 4.37Å; F11-F33 HydrophobicContact CZ-CB 4.02Å; F11-F33 AromaticContact CZ-CD1 3.78Å; F11-F33 HydrophobicContact CZ-CD1 3.78Å; F11-F33 HydrophobicContact CZ-CE1 4.46Å; F11-F33 AromaticContact CZ-CG 3.97Å; F11-F33 HydrophobicContact CZ-CG 3.97Å; F11-F33 PolarHBondContact N-O 3.15Å; F11-F33 PolarHBondContact O-N 2.92Å; F33-M57 HydrophobicContact CE1-CB 4.49Å; F33-M57 HydrophobicContact CE1-CG 4.3Å; F33-M57 HydrophobicContact CE2-CB 4.24Å; F33-M57 HydrophobicContact CZ-CB 3.75Å; F33-M57 HydrophobicContact CZ-CG 3.74Å; F33-M57 HydrophobicContact CZ-SD 3.88Å; F33-F59 HydrophobicContact CB-CD2 4.35Å; F33-F59 HydrophobicContact CD2-CD2 4.09Å; F33-V77 HydrophobicContact CE2-CG2 4.38Å; F33-V77 HydrophobicContact CZ-CG2 4.23Å; F33-F79 HydrophobicContact CD2-CE1 4Å; F33-F79 AromaticContact CD2-CZ 3.83Å; F33-F79 HydrophobicContact CD2-CZ 3.83Å; F33-F79 HydrophobicContact CE2-CE1 4.04Å; F33-F79 AromaticContact CE2-CZ 3.63Å; F33-F79 HydrophobicContact CE2-CZ 3.63Å; F33-F96 HydrophobicContact CD1-CZ 4.49Å; F33-F96 HydrophobicContact CE1-CE1 4.13Å; F33-F96 HydrophobicContact CE1-CE2 4.41Å; F33-F96 AromaticContact CE1-CZ 3.64Å; F33-F96 HydrophobicContact CE1-CZ 3.64Å; F33-F96 HydrophobicContact CE2-CZ 4.36Å; F33-F96 HydrophobicContact CZ-CE1 4.47Å; F33-F96 HydrophobicContact CZ-CE2 4.02Å; F33-F96 AromaticContact CZ-CZ 3.56Å; F33-F96 HydrophobicContact CZ-CZ 3.56Å |
| 34 | E | 42.3 | Very low | 38.9 | Very low | 27 Ų | 27 | 60.7 Ų | 60.7 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 112.8 | -179.4 | -175.8 | 171.2 | -165.4 | 0 | 0 | 111.7 | L8 L9 Q10 Y32 F36 M57 Y58 | L8-E34 HydrophobicContact CD1-CG 3.61Å; L8-E34 VanDerWaalsContact CD1-OE1 3.25Å; L8-E34 WeakPolarHBondContact CD1-OE1 3.48Å; L9-E34 CarbonylContact O-C 3.42Å; L9-E34 WeakPolarHBondContact O-CA 3.1Å; Q10-E34 HydrophobicContact CG-CB 4.07Å; Q10-E34 HydrophobicContact CG-CG 3.6Å; Q10-E34 VanDerWaalsContact NE2-CD 3.3Å; Q10-E34 PolarHBondContact NE2-OE1 3.2Å; Y32-E34 HydrophobicContact CE1-CB 3.75Å; Y32-E34 VanDerWaalsContact CE1-OE2 3.27Å; Y32-E34 WeakPolarHBondContact CE1-OE2 3.37Å; Y32-E34 PolarHBondContact OH-OE2 2.7Å; E34-F36 HydrophobicContact CB-CE2 4.38Å; E34-F36 HydrophobicContact CG-CD2 4.33Å; E34-F36 HydrophobicContact CG-CE1 3.93Å; E34-F36 HydrophobicContact CG-CE2 3.56Å; E34-F36 HydrophobicContact CG-CZ 3.36Å; E34-F36 WeakPolarHBondContact OE1-CE1 3.37Å; E34-F36 WeakPolarHBondContact OE1-CZ 3.32Å; E34-M57 CarbonylContact O-C 3.42Å; E34-M57 WeakPolarHBondContact O-CA 3.32Å; E34-Y58 HydrophobicContact CB-CD1 4.33Å; E34-Y58 PolarHBondContact N-O 2.97Å; E34-Y58 PolarHBondContact O-N 2.8Å |
| 35 | G | 47.9 | Very low | 39 | Very low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L8 L9 L56 | L8-G35 CarbonylContact C-O 3.49Å; L8-G35 WeakPolarHBondContact CA-O 2.98Å; L9-G35 PolarHBondContact N-O 2.82Å; L9-G35 PolarHBondContact O-N 2.79Å; G35-L56 CarbonylContact C-O 3.56Å; G35-L56 WeakPolarHBondContact CA-O 3.32Å |
| 36 | F | 47.5 | Very low | 38.7 | Very low | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.254 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.9 | 176.6 | -50.2 | -91.7 | 0 | 0 | 0 | 111 | V5 G7 L8 E34 T55 L56 | V5-F36 HydrophobicContact CG1-CB 4.4Å; V5-F36 HydrophobicContact CG1-CD1 4.19Å; G7-F36 CarbonylContact O-C 3.53Å; G7-F36 VanDerWaalsContact O-CA 3.28Å; G7-F36 WeakPolarHBondContact O-CA 3.43Å; L8-F36 HydrophobicContact CD1-CD1 3.44Å; L8-F36 VanDerWaalsContact CD1-CD1 3.44Å; L8-F36 HydrophobicContact CD1-CE1 3.25Å; L8-F36 HydrophobicContact CD1-CG 4.37Å; L8-F36 HydrophobicContact CD1-CZ 4.06Å; E34-F36 HydrophobicContact CB-CE2 4.38Å; E34-F36 HydrophobicContact CG-CD2 4.33Å; E34-F36 HydrophobicContact CG-CE1 3.93Å; E34-F36 HydrophobicContact CG-CE2 3.56Å; E34-F36 HydrophobicContact CG-CZ 3.36Å; E34-F36 WeakPolarHBondContact OE1-CE1 3.37Å; E34-F36 WeakPolarHBondContact OE1-CZ 3.32Å; F36-T55 CarbonylContact O-C 3.42Å; F36-T55 VanDerWaalsContact O-CA 3.3Å; F36-T55 WeakPolarHBondContact O-CA 3.5Å; F36-L56 PolarHBondContact N-O 2.82Å; F36-L56 PolarHBondContact O-N 2.99Å |
| 37 | R | 45 | Very low | 38.6 | Very low | 25 Ų | 25 | 62.1 Ų | 62.1 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.4 | 171.1 | -167 | 165.8 | -179.1 | 159 | 2.2 | 110.8 | V5 H6 G7 L53 R98 | V5-R37 WeakPolarHBondContact CA-O 3.15Å; H6-R37 PolarHBondContact N-O 3.33Å; G7-R37 PolarHBondContact O-N 2.79Å; R37-L53 HydrophobicContact CG-CB 4.44Å; R37-L53 HydrophobicContact CG-CD2 4.27Å; R37-R98 VanDerWaalsContact NH1-CZ 3.35Å |
| 38 | L | 41.2 | Very low | 38.4 | Very low | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.4 | 177.9 | -59.6 | -171.9 | 0 | 0 | 0 | 110.8 | I3 E4 V5 F40 L53 T54 L56 | I3-L38 HydrophobicContact CG2-CB 4.18Å; I3-L38 HydrophobicContact CG2-CD1 3.83Å; I3-L38 HydrophobicContact CG2-CD2 3.72Å; I3-L38 HydrophobicContact CG2-CG 4.13Å; E4-L38 WeakPolarHBondContact O-CA 3.19Å; V5-L38 HydrophobicContact CB-CD2 4.44Å; V5-L38 HydrophobicContact CG2-CD2 3.66Å; L38-F40 HydrophobicContact CB-CE2 4.14Å; L38-F40 HydrophobicContact CB-CZ 4.33Å; L38-F40 HydrophobicContact CD1-CZ 4.14Å; L38-L53 WeakPolarHBondContact O-CA 3.43Å; L38-T54 PolarHBondContact N-O 2.85Å; L38-T54 PolarHBondContact O-N 2.75Å; L38-L56 HydrophobicContact CD1-CD1 3.32Å; L38-L56 HydrophobicContact CD1-CG 4.32Å; L38-L56 HydrophobicContact CG-CD1 3.99Å |
| 39 | E | 37.3 | Very low | 38 | Very low | 41 Ų | 41 | 69.6 Ų | 69.6 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.4 | 167.7 | -170.2 | 161.2 | -177.5 | 0 | 0 | 109.8 | E4 H6 V41 T51 L53 | E4-E39 PolarHBondContact N-O 3Å; E4-E39 PolarHBondContact O-N 3.01Å; H6-E39 WeakPolarHBondContact CD2-CB 3.46Å; H6-E39 IonicContact CD2-OE2 2.75Å; H6-E39 IonicContact CE1-OE2 2.66Å; H6-E39 PolarHBondContact CE1-OE2 3.1Å; H6-E39 WeakPolarHBondContact NE2-CB 3.29Å; H6-E39 IonicContact NE2-OE2 3.85Å; H6-E39 PolarHBondContact NE2-OE2 3.14Å; E39-V41 HydrophobicContact CG-CG2 4.04Å; E39-T51 HydrophobicContact CG-CG2 3.45Å; E39-T51 VanDerWaalsContact CG-CG2 3.45Å; E39-T51 WeakPolarHBondContact OE1-CB 3.21Å; E39-T51 WeakPolarHBondContact OE1-CG2 3.39Å; E39-T51 PolarHBondContact OE1-OG1 3.43Å; E39-L53 HydrophobicContact CB-CD2 3.65Å; E39-L53 HydrophobicContact CG-CD2 3.88Å |
| 40 | F | 37.5 | Very low | 37.6 | Very low | 45 Ų | 45 | 79 Ų | 79 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 100.3 | 177.4 | -68.4 | -76 | 0 | 0 | 0 | 109.9 | M1 I3 L38 P42 T51 K52 | M1-F40 HydrophobicContact CE-CB 3.84Å; M1-F40 HydrophobicContact CE-CD1 3.25Å; M1-F40 HydrophobicContact CE-CE1 3.95Å; M1-F40 HydrophobicContact CE-CG 3.74Å; M1-F40 HydrophobicContact CG-CD1 4.38Å; M1-F40 HydrophobicContact SD-CD1 4.41Å; I3-F40 HydrophobicContact CD1-CD1 4.41Å; I3-F40 HydrophobicContact CD1-CE1 3.77Å; I3-F40 HydrophobicContact CG1-CD1 3.88Å; I3-F40 HydrophobicContact CG1-CE1 3.72Å; L38-F40 HydrophobicContact CB-CE2 4.14Å; L38-F40 HydrophobicContact CB-CZ 4.33Å; L38-F40 HydrophobicContact CD1-CZ 4.14Å; F40-P42 WeakPolarHBondContact O-CD 3.39Å; F40-T51 WeakPolarHBondContact O-CG2 3.34Å; F40-K52 PolarHBondContact N-O 2.77Å |
| 41 | V | 38.4 | Very low | 37.8 | Very low | 54 Ų | 54 | 78.9 Ų | 78.9 | 33% | 0.327 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.3 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | L2 E39 T43 T51 | L2-V41 PolarHBondContact N-O 2.89Å; L2-V41 PolarHBondContact O-N 2.67Å; E39-V41 HydrophobicContact CG-CG2 4.04Å; V41-T43 PolarHBondContact O-N 3.12Å; V41-T51 HydrophobicContact CG2-CG2 4.01Å |
| 42 | P | 34 | Very low | 37.5 | Very low | 59 Ų | 59 | 82.8 Ų | 82.8 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 132.1 | 172.2 | 25.7 | -29.2 | 0 | 0 | 0 | 110 | F40 | F40-P42 WeakPolarHBondContact O-CD 3.39Š|
| 43 | T | 34.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 82.7 Ų | 82.7 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 158.1 | -179.1 | 34.5 | 0 | 0 | 0 | 0 | 112.1 | M1 V41 D45 K46 | M1-T43 VanDerWaalsContact N-CG2 3.32Å; M1-T43 PolarHBondContact N-OG1 3Å; V41-T43 PolarHBondContact O-N 3.12Å; T43-D45 PolarHBondContact O-N 3.38Å; T43-K46 PolarHBondContact O-N 2.88Å |
| 44 | V | 37.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 83.2 Ų | 83.2 | 82% | 0.824 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | -31.5 | -161.6 | -170 | 0 | 0 | 0 | 0 | 115.2 | K46 | V44-K46 VanDerWaalsContact C-N 3.25Å; V44-K46 PolarHBondContact O-N 3.09Å |
| 45 | D | 34.9 | Very low | 38.1 | Very low | 153 Ų | 153 | 82.5 Ų | 82.5 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.4 | -177.1 | -45.5 | -31.5 | 0 | 0 | 0 | 114.5 | T43 | T43-D45 PolarHBondContact O-N 3.38Š|
| 46 | K | 27.8 | Very low | 37.9 | Very low | 168 Ų | 168 | 85 Ų | 85 | 73% | 0.73 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -132.2 | 84.9 | 173.1 | -73.3 | -169.6 | 179 | -178.8 | 0 | 111.7 | T43 V44 | T43-K46 PolarHBondContact O-N 2.88Å; V44-K46 VanDerWaalsContact C-N 3.25Å; V44-K46 PolarHBondContact O-N 3.09Å |
| 47 | I | 30.2 | Very low | 37.9 | Very low | 147 Ų | 147 | 83.6 Ų | 83.6 | 75% | 0.754 | 43% | 0.426 | S | S | * | . | trans | -52.9 | 129.1 | 170.1 | -72.1 | 177.1 | 0 | 0 | 0 | 111.7 | ||||
| 48 | I | 29.4 | Very low | 38 | Very low | 148 Ų | 148 | 87.6 Ų | 87.6 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | trans | 68 | 82.5 | 160.1 | -49.6 | 155.4 | 0 | 0 | 0 | 117.7 | ||||
| 49 | H | 27.4 | Very low | 38 | Very low | 167 Ų | 167 | 87.8 Ų | 87.8 | 77% | 0.773 | 44% | 0.442 | S | S | * | . | trans | -137.4 | 134.4 | 139.9 | -83.4 | -22.4 | 0 | 0 | 0 | 110.1 | T51 | H49-T51 PolarHBondContact O-N 3.26Š| ||
| 50 | K | 32.7 | Very low | 38.2 | Very low | 205 Ų | 205 | 86.8 Ų | 86.8 | 89% | 0.891 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 132.9 | 175.5 | -83.5 | -177.6 | 174.3 | 178.9 | 0 | 110 | K52 | K50-K52 PolarHBondContact O-N 2.79Š|
| 51 | T | 41.1 | Very low | 38.4 | Very low | 65 Ų | 65 | 85.5 Ų | 85.5 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 131 | -179.3 | 4.2 | 0 | 0 | 0 | 0 | 111.2 | E39 F40 V41 H49 | E39-T51 HydrophobicContact CG-CG2 3.45Å; E39-T51 VanDerWaalsContact CG-CG2 3.45Å; E39-T51 WeakPolarHBondContact OE1-CB 3.21Å; E39-T51 WeakPolarHBondContact OE1-CG2 3.39Å; E39-T51 PolarHBondContact OE1-OG1 3.43Å; F40-T51 WeakPolarHBondContact O-CG2 3.34Å; V41-T51 HydrophobicContact CG2-CG2 4.01Å; H49-T51 PolarHBondContact O-N 3.26Å |
| 52 | K | 37.3 | Very low | 38.6 | Very low | 82 Ų | 82 | 88.3 Ų | 88.3 | 36% | 0.357 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.4 | 174.9 | -82.6 | -176.8 | 177.7 | 168.9 | 0 | 108.5 | F40 K50 N137 | F40-K52 PolarHBondContact N-O 2.77Å; K50-K52 PolarHBondContact O-N 2.79Å; K52-N137 VanDerWaalsContact CD-OD1 3.23Å; K52-N137 WeakPolarHBondContact CD-OD1 3.05Å; K52-N137 PolarHBondContact NZ-OD1 3.1Å |
| 53 | L | 44.8 | Very low | 38.9 | Very low | 58 Ų | 58 | 90.2 Ų | 90.2 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.4 | 174.5 | -66.3 | 158.3 | 0 | 0 | 0 | 108.5 | R37 L38 E39 | R37-L53 HydrophobicContact CG-CB 4.44Å; R37-L53 HydrophobicContact CG-CD2 4.27Å; L38-L53 WeakPolarHBondContact O-CA 3.43Å; E39-L53 HydrophobicContact CB-CD2 3.65Å; E39-L53 HydrophobicContact CG-CD2 3.88Å |
| 54 | T | 44.9 | Very low | 39.3 | Very low | 14 Ų | 14 | 94.5 Ų | 94.5 | 9% | 0.086 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.9 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | L38 | L38-T54 PolarHBondContact N-O 2.85Å; L38-T54 PolarHBondContact O-N 2.75Å |
| 55 | T | 48.3 | Very low | 39.7 | Very low | 12 Ų | 12 | 89.9 Ų | 89.9 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.7 | 177.7 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | F36 M57 D74 L103 | F36-T55 CarbonylContact O-C 3.42Å; F36-T55 VanDerWaalsContact O-CA 3.3Å; F36-T55 WeakPolarHBondContact O-CA 3.5Å; T55-M57 HydrophobicContact CG2-CE 3.64Å; T55-M57 HydrophobicContact CG2-CG 4.17Å; T55-D74 WeakPolarHBondContact CB-O 3.41Å; T55-D74 PolarHBondContact N-OD1 2.85Å; T55-D74 PolarHBondContact OG1-O 2.97Å; T55-D74 PolarHBondContact OG1-OD2 3.42Å; T55-L103 HydrophobicContact CG2-CD1 3.53Å |
| 56 | L | 44.5 | Very low | 40.4 | Very low | 52 Ų | 52 | 87.3 Ų | 87.3 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.3 | 170.6 | -75.8 | 171.9 | 0 | 0 | 0 | 109.1 | G35 F36 L38 F122 | G35-L56 CarbonylContact C-O 3.56Å; G35-L56 WeakPolarHBondContact CA-O 3.32Å; F36-L56 PolarHBondContact N-O 2.82Å; F36-L56 PolarHBondContact O-N 2.99Å; L38-L56 HydrophobicContact CD1-CD1 3.32Å; L38-L56 HydrophobicContact CD1-CG 4.32Å; L38-L56 HydrophobicContact CG-CD1 3.99Å; L56-F122 HydrophobicContact CD2-CD1 4.46Å; L56-F122 HydrophobicContact CD2-CE1 4.19Å |
| 57 | M | 47.1 | Very low | 41.6 | Very low | 29 Ų | 29 | 80 Ų | 80 | 14% | 0.143 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | -176.4 | -65.4 | 165.4 | 174.6 | 0 | 0 | 109.4 | F33 E34 T55 T71 V77 F96 | F33-M57 HydrophobicContact CE1-CB 4.49Å; F33-M57 HydrophobicContact CE1-CG 4.3Å; F33-M57 HydrophobicContact CE2-CB 4.24Å; F33-M57 HydrophobicContact CZ-CB 3.75Å; F33-M57 HydrophobicContact CZ-CG 3.74Å; F33-M57 HydrophobicContact CZ-SD 3.88Å; E34-M57 CarbonylContact O-C 3.42Å; E34-M57 WeakPolarHBondContact O-CA 3.32Å; T55-M57 HydrophobicContact CG2-CE 3.64Å; T55-M57 HydrophobicContact CG2-CG 4.17Å; M57-T71 HydrophobicContact SD-CG2 3.8Å; M57-V77 HydrophobicContact CE-CG2 4.1Å; M57-V77 HydrophobicContact SD-CG2 3.12Å; M57-V77 WeakPolarHBondContact SD-CG2 3.35Å; M57-F96 HydrophobicContact CE-CD2 3.57Å; M57-F96 HydrophobicContact CE-CE2 3.66Å; M57-F96 HydrophobicContact CE-CG 4.46Å; M57-F96 HydrophobicContact SD-CE2 4.14Å |
| 58 | Y | 46.3 | Very low | 42.6 | Very low | 110 Ų | 110 | 77 Ų | 77 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.7 | -179.1 | 179.1 | -92.5 | 0 | 0 | 0 | 109.1 | Y32 E34 | Y32-Y58 HydrophobicContact CD1-CD1 4.39Å; Y32-Y58 HydrophobicContact CD1-CE1 4.36Å; Y32-Y58 HydrophobicContact CE1-CD1 4.15Å; Y32-Y58 HydrophobicContact CE1-CE1 4.29Å; E34-Y58 HydrophobicContact CB-CD1 4.33Å; E34-Y58 PolarHBondContact N-O 2.97Å; E34-Y58 PolarHBondContact O-N 2.8Å |
| 59 | F | 42.2 | Very low | 44 | Very low | 25 Ų | 25 | 73 Ų | 73 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.5 | -178.1 | 179.1 | -99.1 | 0 | 0 | 0 | 109.9 | S31 Y32 F33 D61 F69 F79 | S31-F59 WeakPolarHBondContact OG-CZ 3.44Å; Y32-F59 CarbonylContact O-C 3.39Å; Y32-F59 WeakPolarHBondContact O-CA 3.37Å; Y32-F59 WeakPolarHBondContact O-CD2 3Å; F33-F59 HydrophobicContact CB-CD2 4.35Å; F33-F59 HydrophobicContact CD2-CD2 4.09Å; F59-D61 HydrophobicContact CE1-CB 3.78Å; F59-D61 HydrophobicContact CZ-CB 4.13Å; F59-F69 HydrophobicContact CB-CD1 4.03Å; F59-F69 HydrophobicContact CB-CE1 3.97Å; F59-F69 HydrophobicContact CB-CZ 4.46Å; F59-F69 HydrophobicContact CD1-CD1 4.04Å; F59-F69 HydrophobicContact CD1-CE1 4.37Å; F59-F69 HydrophobicContact CG-CD1 4.31Å; F59-F79 HydrophobicContact CD2-CE1 4.33Å; F59-F79 HydrophobicContact CE2-CE1 4.44Å |
| 60 | S | 42.3 | Very low | 45.3 | Very low | 20 Ų | 20 | 67.2 Ų | 67.2 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 115.5 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | Y32 | Y32-S60 PolarHBondContact N-O 3.33Å; Y32-S60 PolarHBondContact O-N 3.26Å |
| 61 | D | 39.9 | Very low | 46.4 | Very low | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130 | 167.9 | -159.2 | -16.6 | 0 | 0 | 0 | 109 | S31 F59 Q63 Y66 Y67 | S31-D61 PolarHBondContact OG-OD1 3.03Å; S31-D61 PolarHBondContact OG-OD2 2.91Å; F59-D61 HydrophobicContact CE1-CB 3.78Å; F59-D61 HydrophobicContact CZ-CB 4.13Å; D61-Q63 PolarHBondContact OD1-N 2.57Å; D61-Y66 WeakPolarHBondContact OD2-CA 3.39Å; D61-Y67 WeakPolarHBondContact OD2-CD2 3.23Å; D61-Y67 PolarHBondContact OD2-N 3.42Å |
| 62 | L | 43.1 | Very low | 46.9 | Very low | 112 Ų | 112 | 59.9 Ų | 59.9 | 59% | 0.586 | 29% | 0.285 | S | S | * | . | trans | -98.1 | -4.4 | -176.5 | -67.7 | 175.5 | 0 | 0 | 0 | 112.7 | Y161 | L62-Y161 HydrophobicContact CD2-CE1 4.3Š| ||
| 63 | Q | 41 | Very low | 47.6 | Very low | 100 Ų | 100 | 61.8 Ų | 61.8 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -127.7 | 152.3 | -176.8 | -73.3 | -179.3 | -12.1 | 0 | 0 | 111.6 | V29 D61 | V29-Q63 HydrophobicContact CG1-CB 4.36Å; D61-Q63 PolarHBondContact OD1-N 2.57Å |
| 64 | Y | 42.6 | Very low | 48 | Very low | 163 Ų | 163 | 60.1 Ų | 60.1 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -96.5 | 137.2 | 170.9 | -172.7 | -92.4 | 0 | 0 | 0 | 108.5 | Y66 | Y64-Y66 AromaticContact CD2-CD1 3.94Å; Y64-Y66 HydrophobicContact CD2-CD1 3.94Å; Y64-Y66 HydrophobicContact CD2-CE1 4.27Å; Y64-Y66 HydrophobicContact CE2-CD1 4.14Å; Y64-Y66 HydrophobicContact CE2-CE1 4.04Å |
| 65 | P | 46.1 | Very low | 48.8 | Very low | 38 Ų | 38 | 61 Ų | 61 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | S | Bend | cis | -78.6 | 141 | 1 | 26.6 | -30 | 0 | 0 | 0 | 114.5 | V82 V83 | P65-V82 WeakPolarHBondContact CB-O 3.42Å; P65-V83 HydrophobicContact CB-CG2 4.34Å; P65-V83 HydrophobicContact CG-CG2 4.15Å |
| 66 | Y | 50.4 | Low | 49.4 | Very low | 100 Ų | 100 | 61.7 Ų | 61.7 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 159 | -173.8 | 61 | -91.5 | 0 | 0 | 0 | 113.9 | D61 Y64 H68 V82 | D61-Y66 WeakPolarHBondContact OD2-CA 3.39Å; Y64-Y66 AromaticContact CD2-CD1 3.94Å; Y64-Y66 HydrophobicContact CD2-CD1 3.94Å; Y64-Y66 HydrophobicContact CD2-CE1 4.27Å; Y64-Y66 HydrophobicContact CE2-CD1 4.14Å; Y64-Y66 HydrophobicContact CE2-CE1 4.04Å; Y66-H68 AromaticContact CE2-CE1 3.66Å; Y66-V82 HydrophobicContact CD2-CG2 4.32Å; Y66-V82 HydrophobicContact CE2-CB 4.41Å; Y66-V82 HydrophobicContact CE2-CG2 3.98Å; Y66-V82 PolarHBondContact O-N 3.41Å; Y66-V82 VanDerWaalsContact O-N 3.08Å |
| 67 | Y | 51.7 | Low | 50.2 | Low | 15 Ų | 15 | 59.2 Ų | 59.2 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.4 | 177.4 | -76 | -107.4 | 0 | 0 | 0 | 113.7 | W15 D61 F79 Q81 | W15-Y67 AromaticContact CE2-CE2 3.56Å; W15-Y67 AromaticContact CE2-CZ 3.47Å; W15-Y67 VanDerWaalsContact CE2-CZ 3.47Å; W15-Y67 AromaticContact CH2-CD2 3.6Å; W15-Y67 HydrophobicContact CH2-CD2 3.6Å; W15-Y67 AromaticContact CH2-CE2 3.45Å; W15-Y67 HydrophobicContact CH2-CE2 3.45Å; W15-Y67 VanDerWaalsContact CH2-CE2 3.45Å; W15-Y67 HydrophobicContact CH2-CG 4.27Å; W15-Y67 AromaticContact CH2-CZ 3.89Å; W15-Y67 AromaticContact CZ2-CD2 3.54Å; W15-Y67 HydrophobicContact CZ2-CD2 3.54Å; W15-Y67 HydrophobicContact CZ2-CE1 4.3Å; W15-Y67 AromaticContact CZ2-CE2 2.89Å; W15-Y67 HydrophobicContact CZ2-CE2 2.89Å; W15-Y67 HydrophobicContact CZ2-CG 4.48Å; W15-Y67 AromaticContact CZ2-CZ 3.31Å; W15-Y67 WeakPolarHBondContact CZ2-OH 3.44Å; W15-Y67 AromaticContact NE1-CE2 3.96Å; W15-Y67 AromaticContact NE1-CZ 3.66Å; W15-Y67 PolarHBondContact NE1-OH 3.3Å; D61-Y67 WeakPolarHBondContact OD2-CD2 3.23Å; D61-Y67 PolarHBondContact OD2-N 3.42Å; Y67-F79 HydrophobicContact CD1-CB 4.32Å; Y67-Q81 HydrophobicContact CD1-CB 4.01Å; Y67-Q81 HydrophobicContact CD1-CG 4.49Å; Y67-Q81 HydrophobicContact CD2-CB 4.47Å; Y67-Q81 HydrophobicContact CD2-CG 4.08Å; Y67-Q81 HydrophobicContact CE1-CB 3.56Å; Y67-Q81 HydrophobicContact CE1-CG 4.05Å; Y67-Q81 HydrophobicContact CE2-CB 3.98Å; Y67-Q81 HydrophobicContact CE2-CG 3.48Å; Y67-Q81 VanDerWaalsContact CE2-CG 3.48Å; Y67-Q81 HydrophobicContact CG-CB 4.46Å; Y67-Q81 VanDerWaalsContact CZ-CD 3.41Å; Y67-Q81 PolarHBondContact OH-NE2 3.03Å; Y67-Q81 PolarHBondContact OH-OE1 2.87Å |
| 68 | H | 52.5 | Low | 50.9 | Low | 82 Ų | 82 | 59.2 Ų | 59.2 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 144 | 164.2 | -77.5 | -41 | 0 | 0 | 0 | 111.1 | Y66 F79 A80 V82 W115 | Y66-H68 AromaticContact CE2-CE1 3.66Å; H68-F79 CarbonylContact O-C 3.55Å; H68-F79 VanDerWaalsContact O-CA 3.29Å; H68-F79 WeakPolarHBondContact O-CA 3.4Å; H68-A80 PolarHBondContact N-O 2.95Å; H68-A80 PolarHBondContact O-N 2.73Å; H68-V82 HydrophobicContact CB-CG2 4.43Å; H68-V82 WeakPolarHBondContact CD2-CG2 2.92Å; H68-V82 VanDerWaalsContact NE2-CG2 3.35Å; H68-V82 WeakPolarHBondContact NE2-CG2 3.36Å; H68-W115 HydrophobicContact CB-CH2 4.45Å; H68-W115 HydrophobicContact CB-CZ2 3.9Å |
| 69 | F | 57.8 | Low | 51.8 | Low | 66 Ų | 66 | 54.7 Ų | 54.7 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.7 | -179.8 | 68.6 | -86.4 | 0 | 0 | 0 | 112.9 | F59 V77 F78 F79 | F59-F69 HydrophobicContact CB-CD1 4.03Å; F59-F69 HydrophobicContact CB-CE1 3.97Å; F59-F69 HydrophobicContact CB-CZ 4.46Å; F59-F69 HydrophobicContact CD1-CD1 4.04Å; F59-F69 HydrophobicContact CD1-CE1 4.37Å; F59-F69 HydrophobicContact CG-CD1 4.31Å; F69-V77 HydrophobicContact CB-CG1 4.23Å; F69-F78 CarbonylContact C-O 3.5Å; F69-F78 WeakPolarHBondContact CA-O 3.02Å; F69-F79 HydrophobicContact CB-CD1 3.78Å; F69-F79 HydrophobicContact CB-CE1 3.96Å |
| 70 | K | 55 | Low | 52.6 | Low | 45 Ų | 45 | 53.8 Ų | 53.8 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.6 | 170.2 | 70.1 | -175.2 | 175.3 | -170.3 | 0 | 111 | V77 F78 W115 V116 P118 | K70-V77 WeakPolarHBondContact O-CA 3.34Å; K70-F78 HydrophobicContact CG-CB 3.84Å; K70-F78 PolarHBondContact N-O 3.13Å; K70-F78 PolarHBondContact O-N 2.76Å; K70-W115 HydrophobicContact CB-CH2 3.69Å; K70-W115 HydrophobicContact CB-CZ2 4.46Å; K70-W115 HydrophobicContact CB-CZ3 4.34Å; K70-W115 HydrophobicContact CD-CE3 4.31Å; K70-W115 HydrophobicContact CD-CH2 3.64Å; K70-W115 HydrophobicContact CD-CZ2 4.32Å; K70-W115 HydrophobicContact CD-CZ3 3.64Å; K70-W115 HydrophobicContact CG-CH2 3.49Å; K70-W115 VanDerWaalsContact CG-CH2 3.49Å; K70-W115 HydrophobicContact CG-CZ2 4.49Å; K70-W115 HydrophobicContact CG-CZ3 3.63Å; K70-V116 PolarHBondContact NZ-O 3.34Å; K70-P118 HydrophobicContact CB-CG 3.63Å; K70-P118 HydrophobicContact CD-CG 3.99Å; K70-P118 HydrophobicContact CG-CG 4.44Å |
| 71 | T | 54.7 | Low | 53.4 | Low | 49 Ų | 49 | 53.8 Ų | 53.8 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.6 | 171 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | M57 V77 F122 | M57-T71 HydrophobicContact SD-CG2 3.8Å; T71-V77 HydrophobicContact CG2-CG2 4.02Å; T71-F122 WeakPolarHBondContact OG1-CE2 3.43Å |
| 72 | T | 51.6 | Low | 54 | Low | 66 Ų | 66 | 54.9 Ų | 54.9 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -30.2 | 174.9 | 49 | 0 | 0 | 0 | 0 | 111.7 | E76 F78 | T72-E76 PolarHBondContact N-O 3.48Å; T72-E76 WeakPolarHBondContact OG1-CB 3.24Å; T72-E76 PolarHBondContact OG1-OE2 3.49Å; T72-F78 HydrophobicContact CG2-CD2 3.5Å; T72-F78 HydrophobicContact CG2-CE2 3.58Å; T72-F78 HydrophobicContact CG2-CG 4.33Å; T72-F78 HydrophobicContact CG2-CZ 4.44Å; T72-F78 WeakPolarHBondContact OG1-CE2 3.32Å |
| 73 | K | 53.3 | Low | 54.5 | Low | 123 Ų | 123 | 51.2 Ų | 51.2 | 54% | 0.535 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 170.2 | 175.9 | -57.4 | -173.4 | -158.4 | 147 | 0 | 110.3 | S75 E76 | K73-S75 PolarHBondContact O-N 2.66Å; K73-E76 HydrophobicContact CB-CB 4.18Å; K73-E76 HydrophobicContact CB-CG 4.29Å; K73-E76 WeakPolarHBondContact CD-OE1 3.5Å; K73-E76 WeakPolarHBondContact CE-OE1 3.21Å; K73-E76 WeakPolarHBondContact CE-OE2 3.4Å; K73-E76 IonicContact NZ-OE1 2.71Å; K73-E76 PolarHBondContact NZ-OE1 3.29Å; K73-E76 IonicContact NZ-OE2 2.87Å; K73-E76 PolarHBondContact NZ-OE2 2.93Å; K73-E76 PolarHBondContact O-N 3.35Å |
| 74 | D | 53.8 | Low | 54.8 | Low | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.7 | 179.6 | -150.7 | 47.5 | 0 | 0 | 0 | 114.4 | T55 R98 Q138 | T55-D74 WeakPolarHBondContact CB-O 3.41Å; T55-D74 PolarHBondContact N-OD1 2.85Å; T55-D74 PolarHBondContact OG1-O 2.97Å; T55-D74 PolarHBondContact OG1-OD2 3.42Å; D74-R98 PolarHBondContact O-NH2 3.15Å; D74-R98 IonicContact OD2-CZ 3.71Å; D74-R98 IonicContact OD2-NH1 3.46Å; D74-R98 IonicContact OD2-NH2 2.72Å; D74-R98 PolarHBondContact OD2-NH2 2.78Å; D74-Q138 VanDerWaalsContact CB-NE2 3.27Å; D74-Q138 PolarHBondContact OD1-NE2 2.98Å |
| 75 | S | 61.3 | Low | 55.1 | Low | 32 Ų | 32 | 53.9 Ų | 53.9 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 17.8 | -177.3 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | K73 V95 F96 | K73-S75 PolarHBondContact O-N 2.66Å; S75-V95 CarbonylContact O-C 3.51Å; S75-V95 WeakPolarHBondContact O-CA 3.06Å; S75-F96 WeakPolarHBondContact CB-O 3.35Å; S75-F96 PolarHBondContact O-N 3.41Å |
| 76 | E | 60.2 | Low | 55.3 | Low | 28 Ų | 28 | 60 Ų | 60 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 129 | -177.2 | -64 | 174.8 | -162.3 | 0 | 0 | 111.3 | T72 K73 Q93 I94 V95 | T72-E76 PolarHBondContact N-O 3.48Å; T72-E76 WeakPolarHBondContact OG1-CB 3.24Å; T72-E76 PolarHBondContact OG1-OE2 3.49Å; K73-E76 HydrophobicContact CB-CB 4.18Å; K73-E76 HydrophobicContact CB-CG 4.29Å; K73-E76 WeakPolarHBondContact CD-OE1 3.5Å; K73-E76 WeakPolarHBondContact CE-OE1 3.21Å; K73-E76 WeakPolarHBondContact CE-OE2 3.4Å; K73-E76 IonicContact NZ-OE1 2.71Å; K73-E76 PolarHBondContact NZ-OE1 3.29Å; K73-E76 IonicContact NZ-OE2 2.87Å; K73-E76 PolarHBondContact NZ-OE2 2.93Å; K73-E76 PolarHBondContact O-N 3.35Å; E76-Q93 PolarHBondContact OE2-NE2 3.43Å; E76-I94 CarbonylContact C-O 3.55Å; E76-I94 WeakPolarHBondContact CA-O 3.5Å; E76-V95 HydrophobicContact CG-CG1 4.26Å; E76-V95 HydrophobicContact CG-CG2 4.28Å |
| 77 | V | 62.5 | Low | 55.1 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.6 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | F33 M57 F69 K70 T71 F79 Q93 I94 F96 | F33-V77 HydrophobicContact CE2-CG2 4.38Å; F33-V77 HydrophobicContact CZ-CG2 4.23Å; M57-V77 HydrophobicContact CE-CG2 4.1Å; M57-V77 HydrophobicContact SD-CG2 3.12Å; M57-V77 WeakPolarHBondContact SD-CG2 3.35Å; F69-V77 HydrophobicContact CB-CG1 4.23Å; K70-V77 WeakPolarHBondContact O-CA 3.34Å; T71-V77 HydrophobicContact CG2-CG2 4.02Å; V77-F79 HydrophobicContact CB-CD2 4.45Å; V77-F79 HydrophobicContact CB-CE2 3.59Å; V77-F79 HydrophobicContact CB-CZ 3.76Å; V77-F79 HydrophobicContact CG1-CD1 4.22Å; V77-F79 HydrophobicContact CG1-CD2 3.93Å; V77-F79 HydrophobicContact CG1-CE1 3.66Å; V77-F79 HydrophobicContact CG1-CE2 3.29Å; V77-F79 HydrophobicContact CG1-CG 4.36Å; V77-F79 HydrophobicContact CG1-CZ 3.17Å; V77-Q93 CarbonylContact O-C 3.49Å; V77-Q93 WeakPolarHBondContact O-CA 3.42Å; V77-I94 PolarHBondContact N-O 2.97Å; V77-I94 PolarHBondContact O-N 3.41Å; V77-F96 HydrophobicContact CB-CE2 4.11Å; V77-F96 HydrophobicContact CG2-CE2 3.62Å; V77-F96 HydrophobicContact CG2-CZ 4.43Å |
| 78 | F | 61.9 | Low | 55.1 | Low | 28 Ų | 28 | 64.2 Ų | 64.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.4 | 170.8 | -80.5 | -121.6 | 0 | 0 | 0 | 109.5 | F69 K70 T72 Y92 Q93 I111 W115 | F69-F78 CarbonylContact C-O 3.5Å; F69-F78 WeakPolarHBondContact CA-O 3.02Å; K70-F78 HydrophobicContact CG-CB 3.84Å; K70-F78 PolarHBondContact N-O 3.13Å; K70-F78 PolarHBondContact O-N 2.76Å; T72-F78 HydrophobicContact CG2-CD2 3.5Å; T72-F78 HydrophobicContact CG2-CE2 3.58Å; T72-F78 HydrophobicContact CG2-CG 4.33Å; T72-F78 HydrophobicContact CG2-CZ 4.44Å; T72-F78 WeakPolarHBondContact OG1-CE2 3.32Å; F78-Y92 CarbonylContact C-O 3.44Å; F78-Y92 WeakPolarHBondContact CA-O 3.35Å; F78-Q93 HydrophobicContact CD2-CG 3.77Å; F78-Q93 HydrophobicContact CE2-CB 4.41Å; F78-Q93 HydrophobicContact CE2-CG 3.51Å; F78-Q93 HydrophobicContact CG-CG 4.46Å; F78-Q93 HydrophobicContact CZ-CG 4.02Å; F78-Q93 VanDerWaalsContact CZ-OE1 3.29Å; F78-I111 HydrophobicContact CD1-CD1 3.17Å; F78-I111 HydrophobicContact CE1-CD1 2.94Å; F78-I111 HydrophobicContact CE1-CG1 4.29Å; F78-I111 HydrophobicContact CE1-CG2 4.22Å; F78-I111 HydrophobicContact CE2-CD1 4.33Å; F78-I111 HydrophobicContact CG-CD1 4Å; F78-I111 HydrophobicContact CZ-CD1 3.56Å; F78-W115 HydrophobicContact CB-CZ3 4Å |
| 79 | F | 64.8 | Low | 55 | Low | 15 Ų | 15 | 61.5 Ų | 61.5 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.1 | 176.3 | -53.9 | -94.6 | 0 | 0 | 0 | 110.4 | F33 F59 Y67 H68 F69 V77 Y92 I94 | F33-F79 HydrophobicContact CD2-CE1 4Å; F33-F79 AromaticContact CD2-CZ 3.83Å; F33-F79 HydrophobicContact CD2-CZ 3.83Å; F33-F79 HydrophobicContact CE2-CE1 4.04Å; F33-F79 AromaticContact CE2-CZ 3.63Å; F33-F79 HydrophobicContact CE2-CZ 3.63Å; F59-F79 HydrophobicContact CD2-CE1 4.33Å; F59-F79 HydrophobicContact CE2-CE1 4.44Å; Y67-F79 HydrophobicContact CD1-CB 4.32Å; H68-F79 CarbonylContact O-C 3.55Å; H68-F79 VanDerWaalsContact O-CA 3.29Å; H68-F79 WeakPolarHBondContact O-CA 3.4Å; F69-F79 HydrophobicContact CB-CD1 3.78Å; F69-F79 HydrophobicContact CB-CE1 3.96Å; V77-F79 HydrophobicContact CB-CD2 4.45Å; V77-F79 HydrophobicContact CB-CE2 3.59Å; V77-F79 HydrophobicContact CB-CZ 3.76Å; V77-F79 HydrophobicContact CG1-CD1 4.22Å; V77-F79 HydrophobicContact CG1-CD2 3.93Å; V77-F79 HydrophobicContact CG1-CE1 3.66Å; V77-F79 HydrophobicContact CG1-CE2 3.29Å; V77-F79 HydrophobicContact CG1-CG 4.36Å; V77-F79 HydrophobicContact CG1-CZ 3.17Å; F79-Y92 PolarHBondContact N-O 2.96Å; F79-Y92 PolarHBondContact O-N 2.67Å; F79-I94 HydrophobicContact CD2-CD1 3.91Å; F79-I94 HydrophobicContact CD2-CG1 3.91Å; F79-I94 HydrophobicContact CE2-CB 3.9Å; F79-I94 HydrophobicContact CE2-CD1 3.31Å; F79-I94 HydrophobicContact CE2-CG1 3.49Å; F79-I94 VanDerWaalsContact CE2-CG1 3.49Å; F79-I94 HydrophobicContact CZ-CD1 3.96Å |
| 80 | A | 59 | Low | 55.1 | Low | 6 Ų | 6 | 62.5 Ų | 62.5 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 127.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | H68 Q91 W115 | H68-A80 PolarHBondContact N-O 2.95Å; H68-A80 PolarHBondContact O-N 2.73Å; A80-Q91 HydrophobicContact CB-CG 3.88Å; A80-W115 HydrophobicContact CB-CB 4.35Å; A80-W115 HydrophobicContact CB-CD2 3.88Å; A80-W115 HydrophobicContact CB-CE3 3.73Å; A80-W115 HydrophobicContact CB-CG 4.16Å; A80-W115 HydrophobicContact CB-CZ3 4.28Å |
| 81 | Q | 59.1 | Low | 55.6 | Low | 21 Ų | 21 | 62 Ų | 62 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.4 | 176.3 | -161.1 | 168.4 | 11.8 | 0 | 0 | 110.4 | Y67 V83 P89 | Y67-Q81 HydrophobicContact CD1-CB 4.01Å; Y67-Q81 HydrophobicContact CD1-CG 4.49Å; Y67-Q81 HydrophobicContact CD2-CB 4.47Å; Y67-Q81 HydrophobicContact CD2-CG 4.08Å; Y67-Q81 HydrophobicContact CE1-CB 3.56Å; Y67-Q81 HydrophobicContact CE1-CG 4.05Å; Y67-Q81 HydrophobicContact CE2-CB 3.98Å; Y67-Q81 HydrophobicContact CE2-CG 3.48Å; Y67-Q81 VanDerWaalsContact CE2-CG 3.48Å; Y67-Q81 HydrophobicContact CG-CB 4.46Å; Y67-Q81 VanDerWaalsContact CZ-CD 3.41Å; Y67-Q81 PolarHBondContact OH-NE2 3.03Å; Y67-Q81 PolarHBondContact OH-OE1 2.87Å; Q81-V83 HydrophobicContact CB-CG2 4.49Å; Q81-V83 HydrophobicContact CG-CG2 3.89Å; Q81-P89 HydrophobicContact CB-CB 4.05Å; Q81-P89 HydrophobicContact CB-CG 4.12Å; Q81-P89 HydrophobicContact CG-CG 4.3Å |
| 82 | V | 52.5 | Low | 56.2 | Low | 41 Ų | 41 | 62.5 Ų | 62.5 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | trans | -92.9 | 102.4 | 174.6 | -172.1 | 0 | 0 | 0 | 0 | 108.5 | P65 Y66 H68 | P65-V82 WeakPolarHBondContact CB-O 3.42Å; Y66-V82 HydrophobicContact CD2-CG2 4.32Å; Y66-V82 HydrophobicContact CE2-CB 4.41Å; Y66-V82 HydrophobicContact CE2-CG2 3.98Å; Y66-V82 PolarHBondContact O-N 3.41Å; Y66-V82 VanDerWaalsContact O-N 3.08Å; H68-V82 HydrophobicContact CB-CG2 4.43Å; H68-V82 WeakPolarHBondContact CD2-CG2 2.92Å; H68-V82 VanDerWaalsContact NE2-CG2 3.35Å; H68-V82 WeakPolarHBondContact NE2-CG2 3.36Å | ||
| 83 | V | 52.4 | Low | 57 | Low | 36 Ų | 36 | 60.6 Ų | 60.6 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | trans | -119.1 | 139.8 | 169.8 | -166.8 | 0 | 0 | 0 | 0 | 107.8 | P65 Q81 E85 P89 | P65-V83 HydrophobicContact CB-CG2 4.34Å; P65-V83 HydrophobicContact CG-CG2 4.15Å; Q81-V83 HydrophobicContact CB-CG2 4.49Å; Q81-V83 HydrophobicContact CG-CG2 3.89Å; V83-E85 HydrophobicContact CG1-CB 3.87Å; V83-E85 HydrophobicContact CG1-CG 3.78Å; V83-E85 PolarHBondContact O-N 3.45Å; V83-P89 HydrophobicContact CB-CG 4.37Å; V83-P89 HydrophobicContact CG2-CG 3.46Å; V83-P89 VanDerWaalsContact CG2-CG 3.46Å | ||
| 84 | E | 48.6 | Very low | 57.4 | Low | 177 Ų | 177 | 55.6 Ų | 55.6 | 83% | 0.827 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -73.6 | 7.1 | 175.1 | -71.9 | -174.5 | 157.6 | 0 | 0 | 113.1 | ||
| 85 | E | 47.5 | Very low | 57.9 | Low | 141 Ų | 141 | 55.5 Ų | 55.5 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -89.1 | 148 | -177.3 | -70 | 179.7 | -177.1 | 0 | 0 | 112.6 | V83 N87 | V83-E85 HydrophobicContact CG1-CB 3.87Å; V83-E85 HydrophobicContact CG1-CG 3.78Å; V83-E85 PolarHBondContact O-N 3.45Å; E85-N87 PolarHBondContact O-N 2.73Å |
| 86 | D | 49.8 | Very low | 57.8 | Low | 167 Ų | 167 | 54.2 Ų | 54.2 | 89% | 0.893 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -59.6 | -18.9 | -176.4 | -76.3 | -39.1 | 0 | 0 | 0 | 114.3 | P88 | D86-P88 WeakPolarHBondContact O-CD 3.46Š|
| 87 | N | 46.8 | Very low | 57.4 | Low | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -117.5 | 84.2 | 173.5 | -79.7 | -30.2 | 0 | 0 | 0 | 109.8 | E85 | E85-N87 PolarHBondContact O-N 2.73Š|
| 88 | P | 51.8 | Low | 57.1 | Low | 77 Ų | 77 | 57.6 Ų | 57.6 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 142.1 | 179.8 | 23.7 | -32.7 | 0 | 0 | 0 | 110.5 | D86 | D86-P88 WeakPolarHBondContact O-CD 3.46Š|
| 89 | P | 51.5 | Low | 56.2 | Low | 26 Ų | 26 | 59.2 Ų | 59.2 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 162.5 | 177.6 | -23.3 | 33.1 | 0 | 0 | 0 | 112.9 | E17 Q81 V83 | E17-P89 WeakPolarHBondContact OE1-CB 3.2Å; Q81-P89 HydrophobicContact CB-CB 4.05Å; Q81-P89 HydrophobicContact CB-CG 4.12Å; Q81-P89 HydrophobicContact CG-CG 4.3Å; V83-P89 HydrophobicContact CB-CG 4.37Å; V83-P89 HydrophobicContact CG2-CG 3.46Å; V83-P89 VanDerWaalsContact CG2-CG 3.46Å |
| 90 | E | 59.4 | Low | 55.4 | Low | 87 Ų | 87 | 61.9 Ų | 61.9 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.9 | -167.4 | -58.1 | 179 | 160.9 | 0 | 0 | 111.6 | Y92 K110 | E90-Y92 HydrophobicContact CB-CE1 4.41Å; E90-Y92 HydrophobicContact CB-CE2 3.94Å; E90-Y92 WeakPolarHBondContact CB-OH 3.04Å; E90-Y92 VanDerWaalsContact O-CD2 3.28Å; E90-Y92 WeakPolarHBondContact O-CD2 3.23Å; E90-Y92 WeakPolarHBondContact O-CE2 3.43Å; E90-Y92 PolarHBondContact OE2-OH 3.46Å; E90-Y92 VanDerWaalsContact OE2-OH 3.11Å; E90-K110 HydrophobicContact CB-CD 4.43Å; E90-K110 HydrophobicContact CB-CG 4.42Å; E90-K110 VanDerWaalsContact OE1-CE 3.27Å; E90-K110 WeakPolarHBondContact OE1-CE 2.96Å; E90-K110 IonicContact OE1-NZ 2.8Å; E90-K110 PolarHBondContact OE1-NZ 2.91Å; E90-K110 WeakPolarHBondContact OE2-CD 3.44Å; E90-K110 WeakPolarHBondContact OE2-CE 3.41Å; E90-K110 IonicContact OE2-NZ 2.54Å; E90-K110 PolarHBondContact OE2-NZ 3.42Å |
| 91 | Q | 66.2 | Low | 54.6 | Low | 34 Ų | 34 | 64.9 Ų | 64.9 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.9 | -179 | -63.6 | 173.5 | 35.1 | 0 | 0 | 110.1 | A80 K110 I111 K113 | A80-Q91 HydrophobicContact CB-CG 3.88Å; Q91-K110 CarbonylContact O-C 3.58Å; Q91-K110 WeakPolarHBondContact O-CA 3.36Å; Q91-I111 PolarHBondContact O-N 2.81Å; Q91-K113 PolarHBondContact OE1-O 3.49Å |
| 92 | Y | 65.7 | Low | 53.8 | Low | 59 Ų | 59 | 71.4 Ų | 71.4 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.6 | -172.7 | -58.3 | -82 | 0 | 0 | 0 | 112.5 | F78 F79 E90 L109 K110 | F78-Y92 CarbonylContact C-O 3.44Å; F78-Y92 WeakPolarHBondContact CA-O 3.35Å; F79-Y92 PolarHBondContact N-O 2.96Å; F79-Y92 PolarHBondContact O-N 2.67Å; E90-Y92 HydrophobicContact CB-CE1 4.41Å; E90-Y92 HydrophobicContact CB-CE2 3.94Å; E90-Y92 WeakPolarHBondContact CB-OH 3.04Å; E90-Y92 VanDerWaalsContact O-CD2 3.28Å; E90-Y92 WeakPolarHBondContact O-CD2 3.23Å; E90-Y92 WeakPolarHBondContact O-CE2 3.43Å; E90-Y92 PolarHBondContact OE2-OH 3.46Å; E90-Y92 VanDerWaalsContact OE2-OH 3.11Å; Y92-L109 CarbonylContact C-O 3.59Å; Y92-L109 VanDerWaalsContact CA-O 3.23Å; Y92-L109 WeakPolarHBondContact CA-O 3.36Å; Y92-K110 HydrophobicContact CD1-CB 4.04Å; Y92-K110 HydrophobicContact CD1-CG 4.42Å; Y92-K110 HydrophobicContact CE1-CB 3.98Å; Y92-K110 HydrophobicContact CE1-CD 4.45Å; Y92-K110 HydrophobicContact CE1-CG 4.08Å |
| 93 | Q | 68.7 | Low | 53.4 | Low | 27 Ų | 27 | 70 Ų | 70 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.4 | 168.8 | -158.1 | 167.5 | -19 | 0 | 0 | 107.8 | E76 V77 F78 V95 T108 L109 I111 | E76-Q93 PolarHBondContact OE2-NE2 3.43Å; V77-Q93 CarbonylContact O-C 3.49Å; V77-Q93 WeakPolarHBondContact O-CA 3.42Å; F78-Q93 HydrophobicContact CD2-CG 3.77Å; F78-Q93 HydrophobicContact CE2-CB 4.41Å; F78-Q93 HydrophobicContact CE2-CG 3.51Å; F78-Q93 HydrophobicContact CG-CG 4.46Å; F78-Q93 HydrophobicContact CZ-CG 4.02Å; F78-Q93 VanDerWaalsContact CZ-OE1 3.29Å; Q93-V95 HydrophobicContact CG-CG2 4.47Å; Q93-T108 CarbonylContact O-C 3.6Å; Q93-T108 WeakPolarHBondContact O-CA 3.35Å; Q93-L109 HydrophobicContact CB-CB 4.1Å; Q93-L109 PolarHBondContact N-O 2.79Å; Q93-L109 PolarHBondContact O-N 3.07Å; Q93-I111 HydrophobicContact CB-CD1 3.42Å; Q93-I111 VanDerWaalsContact CB-CD1 3.42Å; Q93-I111 HydrophobicContact CB-CG1 3.94Å; Q93-I111 HydrophobicContact CG-CD1 4.21Å |
| 94 | I | 62.5 | Low | 53.3 | Low | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.8 | 166.9 | -56.2 | -174.9 | 0 | 0 | 0 | 107.6 | E76 V77 F79 F96 V105 E107 T108 | E76-I94 CarbonylContact C-O 3.55Å; E76-I94 WeakPolarHBondContact CA-O 3.5Å; V77-I94 PolarHBondContact N-O 2.97Å; V77-I94 PolarHBondContact O-N 3.41Å; F79-I94 HydrophobicContact CD2-CD1 3.91Å; F79-I94 HydrophobicContact CD2-CG1 3.91Å; F79-I94 HydrophobicContact CE2-CB 3.9Å; F79-I94 HydrophobicContact CE2-CD1 3.31Å; F79-I94 HydrophobicContact CE2-CG1 3.49Å; F79-I94 VanDerWaalsContact CE2-CG1 3.49Å; F79-I94 HydrophobicContact CZ-CD1 3.96Å; I94-F96 HydrophobicContact CB-CE2 4.39Å; I94-F96 HydrophobicContact CB-CZ 4.17Å; I94-F96 HydrophobicContact CG2-CD1 4.15Å; I94-F96 HydrophobicContact CG2-CE1 3.63Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 HydrophobicContact CG2-CZ 3.59Å; I94-V105 HydrophobicContact CG2-CB 4.33Å; I94-V105 HydrophobicContact CG2-CG1 3.7Å; I94-V105 HydrophobicContact CG2-CG2 3.89Å; I94-E107 CarbonylContact C-O 3.57Å; I94-E107 WeakPolarHBondContact CA-O 3.07Å; I94-T108 HydrophobicContact CG1-CG2 4.17Å |
| 95 | V | 63.8 | Low | 53.7 | Low | 21 Ų | 21 | 67.2 Ų | 67.2 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.1 | 171.6 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | S75 E76 Q93 Q106 E107 | S75-V95 CarbonylContact O-C 3.51Å; S75-V95 WeakPolarHBondContact O-CA 3.06Å; E76-V95 HydrophobicContact CG-CG1 4.26Å; E76-V95 HydrophobicContact CG-CG2 4.28Å; Q93-V95 HydrophobicContact CG-CG2 4.47Å; V95-Q106 WeakPolarHBondContact O-CA 3.21Å; V95-Q106 WeakPolarHBondContact O-CB 3.5Å; V95-Q106 PolarHBondContact O-N 2.85Å; V95-E107 HydrophobicContact CB-CB 4.15Å; V95-E107 HydrophobicContact CG2-CB 4.47Å; V95-E107 HydrophobicContact CG2-CG 4.37Å; V95-E107 PolarHBondContact N-O 3.35Å; V95-E107 PolarHBondContact O-N 2.9Å; V95-E107 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 58.8 | Low | 54.3 | Low | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.7 | -179.2 | -61.6 | -76.2 | 0 | 0 | 0 | 111.3 | L9 F11 F33 M57 S75 V77 I94 F104 V105 | L9-F96 HydrophobicContact CD2-CD1 3.76Å; L9-F96 HydrophobicContact CD2-CE1 3.79Å; F11-F96 HydrophobicContact CE1-CE1 4.12Å; F11-F96 HydrophobicContact CZ-CE1 4.09Å; F33-F96 HydrophobicContact CD1-CZ 4.49Å; F33-F96 HydrophobicContact CE1-CE1 4.13Å; F33-F96 HydrophobicContact CE1-CE2 4.41Å; F33-F96 AromaticContact CE1-CZ 3.64Å; F33-F96 HydrophobicContact CE1-CZ 3.64Å; F33-F96 HydrophobicContact CE2-CZ 4.36Å; F33-F96 HydrophobicContact CZ-CE1 4.47Å; F33-F96 HydrophobicContact CZ-CE2 4.02Å; F33-F96 AromaticContact CZ-CZ 3.56Å; F33-F96 HydrophobicContact CZ-CZ 3.56Å; M57-F96 HydrophobicContact CE-CD2 3.57Å; M57-F96 HydrophobicContact CE-CE2 3.66Å; M57-F96 HydrophobicContact CE-CG 4.46Å; M57-F96 HydrophobicContact SD-CE2 4.14Å; S75-F96 WeakPolarHBondContact CB-O 3.35Å; S75-F96 PolarHBondContact O-N 3.41Å; V77-F96 HydrophobicContact CB-CE2 4.11Å; V77-F96 HydrophobicContact CG2-CE2 3.62Å; V77-F96 HydrophobicContact CG2-CZ 4.43Å; I94-F96 HydrophobicContact CB-CE2 4.39Å; I94-F96 HydrophobicContact CB-CZ 4.17Å; I94-F96 HydrophobicContact CG2-CD1 4.15Å; I94-F96 HydrophobicContact CG2-CE1 3.63Å; I94-F96 HydrophobicContact CG2-CE2 4.07Å; I94-F96 HydrophobicContact CG2-CZ 3.59Å; F96-F104 CarbonylContact C-O 3.49Å; F96-F104 WeakPolarHBondContact CA-O 3.27Å; F96-V105 HydrophobicContact CD1-CG2 4.05Å; F96-V105 HydrophobicContact CE1-CG2 3.76Å |
| 97 | G | 52.9 | Low | 55.1 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 169 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F104 Q106 | G97-F104 VanDerWaalsContact C-CE1 3.41Å; G97-F104 PolarHBondContact N-O 2.87Å; G97-F104 PolarHBondContact O-N 3.31Å; G97-F104 VanDerWaalsContact O-N 3.07Å; G97-Q106 VanDerWaalsContact N-CB 3.3Å |
| 98 | R | 56.2 | Low | 55.9 | Low | 97 Ų | 97 | 60.1 Ų | 60.1 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.8 | -174.6 | -69.1 | 169.4 | 177.3 | -166.7 | -4.9 | 111.5 | R37 D74 L103 F104 | R37-R98 VanDerWaalsContact NH1-CZ 3.35Å; D74-R98 PolarHBondContact O-NH2 3.15Å; D74-R98 IonicContact OD2-CZ 3.71Å; D74-R98 IonicContact OD2-NH1 3.46Å; D74-R98 IonicContact OD2-NH2 2.72Å; D74-R98 PolarHBondContact OD2-NH2 2.78Å; R98-L103 HydrophobicContact CG-CD2 3.98Å; R98-F104 VanDerWaalsContact C-CE1 3.48Å; R98-F104 VanDerWaalsContact N-CE1 3.26Å |
| 99 | A | 42.8 | Very low | 56.6 | Low | 62 Ų | 62 | 59.9 Ų | 59.9 | 51% | 0.512 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 103.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T101 K102 F104 | A99-T101 PolarHBondContact O-N 3.26Å; A99-K102 PolarHBondContact N-O 3.25Å; A99-K102 VanDerWaalsContact N-O 3.17Å; A99-K102 PolarHBondContact O-N 3.5Å; A99-F104 HydrophobicContact CB-CE1 4.17Å |
| 100 | G | 47.1 | Very low | 57.5 | Low | 71 Ų | 71 | 64.9 Ų | 64.9 | 73% | 0.732 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -127.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 101 | T | 42.2 | Very low | 57.8 | Low | 68 Ų | 68 | 62 Ų | 62 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.4 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | H6 A99 | H6-T101 HydrophobicContact CB-CG2 3.8Å; H6-T101 WeakPolarHBondContact O-CB 3.44Å; H6-T101 PolarHBondContact O-OG1 2.8Å; A99-T101 PolarHBondContact O-N 3.26Å |
| 102 | K | 41.7 | Very low | 57.6 | Low | 158 Ų | 158 | 66.2 Ų | 66.2 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133 | 178.5 | -64.3 | -174.7 | 178.3 | -177.6 | 0 | 110.6 | A99 | A99-K102 PolarHBondContact N-O 3.25Å; A99-K102 VanDerWaalsContact N-O 3.17Å; A99-K102 PolarHBondContact O-N 3.5Å |
| 103 | L | 44.3 | Very low | 57.3 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 147 | 168.4 | -66.7 | 160.1 | 0 | 0 | 0 | 108.2 | L9 T55 R98 | L9-L103 HydrophobicContact CB-CB 4.01Å; L9-L103 WeakPolarHBondContact CD1-O 3.45Å; L9-L103 HydrophobicContact CD2-CB 3.79Å; L9-L103 HydrophobicContact CG-CB 4.41Å; T55-L103 HydrophobicContact CG2-CD1 3.53Å; R98-L103 HydrophobicContact CG-CD2 3.98Å |
| 104 | F | 51.4 | Low | 56.9 | Low | 95 Ų | 95 | 78.7 Ų | 78.7 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.5 | 169.5 | 59.2 | -92.9 | 0 | 0 | 0 | 109.3 | F96 G97 R98 A99 Q106 | F96-F104 CarbonylContact C-O 3.49Å; F96-F104 WeakPolarHBondContact CA-O 3.27Å; G97-F104 VanDerWaalsContact C-CE1 3.41Å; G97-F104 PolarHBondContact N-O 2.87Å; G97-F104 PolarHBondContact O-N 3.31Å; G97-F104 VanDerWaalsContact O-N 3.07Å; R98-F104 VanDerWaalsContact C-CE1 3.48Å; R98-F104 VanDerWaalsContact N-CE1 3.26Å; A99-F104 HydrophobicContact CB-CE1 4.17Å; F104-Q106 HydrophobicContact CD2-CB 4.46Å; F104-Q106 HydrophobicContact CE2-CB 4.07Å; F104-Q106 PolarHBondContact O-N 2.88Å |
| 105 | V | 55.9 | Low | 56.6 | Low | 58 Ų | 58 | 80.8 Ų | 80.8 | 35% | 0.352 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 112.1 | 171.9 | 175.8 | 0 | 0 | 0 | 0 | 107.9 | F11 I94 F96 | F11-V105 HydrophobicContact CE1-CG2 4.2Å; F11-V105 HydrophobicContact CE2-CG2 4.19Å; F11-V105 HydrophobicContact CZ-CG2 3.77Å; I94-V105 HydrophobicContact CG2-CB 4.33Å; I94-V105 HydrophobicContact CG2-CG1 3.7Å; I94-V105 HydrophobicContact CG2-CG2 3.89Å; F96-V105 HydrophobicContact CD1-CG2 4.05Å; F96-V105 HydrophobicContact CE1-CG2 3.76Å |
| 106 | Q | 61.5 | Low | 56 | Low | 124 Ų | 124 | 84.9 Ų | 84.9 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -39.3 | 177.1 | 173.3 | 175 | -1.8 | 0 | 0 | 111.1 | V95 G97 F104 | V95-Q106 WeakPolarHBondContact O-CA 3.21Å; V95-Q106 WeakPolarHBondContact O-CB 3.5Å; V95-Q106 PolarHBondContact O-N 2.85Å; G97-Q106 VanDerWaalsContact N-CB 3.3Å; F104-Q106 HydrophobicContact CD2-CB 4.46Å; F104-Q106 HydrophobicContact CE2-CB 4.07Å; F104-Q106 PolarHBondContact O-N 2.88Å |
| 107 | E | 65.3 | Low | 55.5 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 38% | 0.379 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 143.7 | -173.2 | 159.7 | -175.8 | 127.1 | 0 | 0 | 110.2 | I94 V95 L109 | I94-E107 CarbonylContact C-O 3.57Å; I94-E107 WeakPolarHBondContact CA-O 3.07Å; V95-E107 HydrophobicContact CB-CB 4.15Å; V95-E107 HydrophobicContact CG2-CB 4.47Å; V95-E107 HydrophobicContact CG2-CG 4.37Å; V95-E107 PolarHBondContact N-O 3.35Å; V95-E107 PolarHBondContact O-N 2.9Å; V95-E107 VanDerWaalsContact O-N 3.11Å; E107-L109 HydrophobicContact CG-CD2 3.79Å; E107-L109 HydrophobicContact CG-CG 3.79Å; E107-L109 WeakPolarHBondContact OE1-CD1 3.5Å; E107-L109 VanDerWaalsContact OE1-CD2 3.25Å; E107-L109 WeakPolarHBondContact OE1-CD2 3.39Å; E107-L109 WeakPolarHBondContact OE1-CG 3.43Å |
| 108 | T | 63.7 | Low | 54.8 | Low | 81 Ų | 81 | 89.6 Ų | 89.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.1 | 168.2 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | Q93 I94 | Q93-T108 CarbonylContact O-C 3.6Å; Q93-T108 WeakPolarHBondContact O-CA 3.35Å; I94-T108 HydrophobicContact CG1-CG2 4.17Å |
| 109 | L | 67.4 | Low | 53.9 | Low | 72 Ų | 72 | 92.5 Ų | 92.5 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.2 | 177.5 | -61.1 | 177.1 | 0 | 0 | 0 | 110.9 | Y92 Q93 E107 | Y92-L109 CarbonylContact C-O 3.59Å; Y92-L109 VanDerWaalsContact CA-O 3.23Å; Y92-L109 WeakPolarHBondContact CA-O 3.36Å; Q93-L109 HydrophobicContact CB-CB 4.1Å; Q93-L109 PolarHBondContact N-O 2.79Å; Q93-L109 PolarHBondContact O-N 3.07Å; E107-L109 HydrophobicContact CG-CD2 3.79Å; E107-L109 HydrophobicContact CG-CG 3.79Å; E107-L109 WeakPolarHBondContact OE1-CD1 3.5Å; E107-L109 VanDerWaalsContact OE1-CD2 3.25Å; E107-L109 WeakPolarHBondContact OE1-CD2 3.39Å; E107-L109 WeakPolarHBondContact OE1-CG 3.43Å |
| 110 | K | 69.6 | Low | 53.4 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 137.5 | 163.8 | -179.1 | 179.6 | 166.2 | 174.7 | 0 | 110 | E90 Q91 Y92 | E90-K110 HydrophobicContact CB-CD 4.43Å; E90-K110 HydrophobicContact CB-CG 4.42Å; E90-K110 VanDerWaalsContact OE1-CE 3.27Å; E90-K110 WeakPolarHBondContact OE1-CE 2.96Å; E90-K110 IonicContact OE1-NZ 2.8Å; E90-K110 PolarHBondContact OE1-NZ 2.91Å; E90-K110 WeakPolarHBondContact OE2-CD 3.44Å; E90-K110 WeakPolarHBondContact OE2-CE 3.41Å; E90-K110 IonicContact OE2-NZ 2.54Å; E90-K110 PolarHBondContact OE2-NZ 3.42Å; Q91-K110 CarbonylContact O-C 3.58Å; Q91-K110 WeakPolarHBondContact O-CA 3.36Å; Y92-K110 HydrophobicContact CD1-CB 4.04Å; Y92-K110 HydrophobicContact CD1-CG 4.42Å; Y92-K110 HydrophobicContact CE1-CB 3.98Å; Y92-K110 HydrophobicContact CE1-CD 4.45Å; Y92-K110 HydrophobicContact CE1-CG 4.08Å |
| 111 | I | 65.6 | Low | 52.6 | Low | 26 Ų | 26 | 92.7 Ų | 92.7 | 13% | 0.133 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.2 | -170.6 | -40.3 | 171.3 | 0 | 0 | 0 | 111 | F78 Q91 Q93 K113 | F78-I111 HydrophobicContact CD1-CD1 3.17Å; F78-I111 HydrophobicContact CE1-CD1 2.94Å; F78-I111 HydrophobicContact CE1-CG1 4.29Å; F78-I111 HydrophobicContact CE1-CG2 4.22Å; F78-I111 HydrophobicContact CE2-CD1 4.33Å; F78-I111 HydrophobicContact CG-CD1 4Å; F78-I111 HydrophobicContact CZ-CD1 3.56Å; Q91-I111 PolarHBondContact O-N 2.81Å; Q93-I111 HydrophobicContact CB-CD1 3.42Å; Q93-I111 VanDerWaalsContact CB-CD1 3.42Å; Q93-I111 HydrophobicContact CB-CG1 3.94Å; Q93-I111 HydrophobicContact CG-CD1 4.21Å; I111-K113 HydrophobicContact CG2-CB 3.94Å; I111-K113 HydrophobicContact CG2-CG 4.19Å |
| 112 | S | 61.8 | Low | 51.9 | Low | 123 Ų | 123 | 94.3 Ų | 94.3 | 86% | 0.86 | 50% | 0.5 | S | S | * | . | trans | -92.2 | -10 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | K114 | S112-K114 PolarHBondContact O-N 3.28Š| ||
| 113 | K | 60.3 | Low | 51.4 | Low | 157 Ų | 157 | 90.8 Ų | 90.8 | 68% | 0.683 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -65.3 | 127.3 | -179.3 | -72.5 | -178.5 | 177.1 | 173.2 | 0 | 110.5 | Q91 I111 W115 | Q91-K113 PolarHBondContact OE1-O 3.49Å; I111-K113 HydrophobicContact CG2-CB 3.94Å; I111-K113 HydrophobicContact CG2-CG 4.19Å; K113-W115 PolarHBondContact O-N 3Å |
| 114 | K | 59.3 | Low | 50.8 | Low | 192 Ų | 192 | 92.4 Ų | 92.4 | 84% | 0.835 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 132.7 | 174.3 | -89.7 | -174.6 | 173.8 | -177.6 | 0 | 111.5 | S112 V116 | S112-K114 PolarHBondContact O-N 3.28Å; K114-V116 PolarHBondContact O-N 2.68Å |
| 115 | W | 56.9 | Low | 49.6 | Very low | 60 Ų | 60 | 91 Ų | 91 | 23% | 0.227 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 116.1 | 175 | 178.2 | -102.1 | 0 | 0 | 0 | 110.3 | H68 K70 F78 A80 K113 | H68-W115 HydrophobicContact CB-CH2 4.45Å; H68-W115 HydrophobicContact CB-CZ2 3.9Å; K70-W115 HydrophobicContact CB-CH2 3.69Å; K70-W115 HydrophobicContact CB-CZ2 4.46Å; K70-W115 HydrophobicContact CB-CZ3 4.34Å; K70-W115 HydrophobicContact CD-CE3 4.31Å; K70-W115 HydrophobicContact CD-CH2 3.64Å; K70-W115 HydrophobicContact CD-CZ2 4.32Å; K70-W115 HydrophobicContact CD-CZ3 3.64Å; K70-W115 HydrophobicContact CG-CH2 3.49Å; K70-W115 VanDerWaalsContact CG-CH2 3.49Å; K70-W115 HydrophobicContact CG-CZ2 4.49Å; K70-W115 HydrophobicContact CG-CZ3 3.63Å; F78-W115 HydrophobicContact CB-CZ3 4Å; A80-W115 HydrophobicContact CB-CB 4.35Å; A80-W115 HydrophobicContact CB-CD2 3.88Å; A80-W115 HydrophobicContact CB-CE3 3.73Å; A80-W115 HydrophobicContact CB-CG 4.16Å; A80-W115 HydrophobicContact CB-CZ3 4.28Å; K113-W115 PolarHBondContact O-N 3Å |
| 116 | V | 51.6 | Low | 48.4 | Very low | 107 Ų | 107 | 93.5 Ų | 93.5 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | trans | -101.3 | 114.7 | 166.1 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | K70 K114 | K70-V116 PolarHBondContact NZ-O 3.34Å; K114-V116 PolarHBondContact O-N 2.68Å | ||
| 117 | A | 47.6 | Very low | 46.8 | Very low | 66 Ų | 66 | 95.1 Ų | 95.1 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | trans | -57.1 | 129.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T119 | A117-T119 PolarHBondContact O-N 2.84Š| ||
| 118 | P | 38.2 | Very low | 45.7 | Very low | 40 Ų | 40 | 100.6 Ų | 100.6 | 26% | 0.26 | 54% | 0.543 | S | S | . | . | trans | -63.7 | 136.7 | -178.2 | -19.2 | 30.7 | 0 | 0 | 0 | 111.2 | K70 A120 N121 | K70-P118 HydrophobicContact CB-CG 3.63Å; K70-P118 HydrophobicContact CD-CG 3.99Å; K70-P118 HydrophobicContact CG-CG 4.44Å; P118-A120 PolarHBondContact O-N 3.36Å; P118-N121 WeakPolarHBondContact CB-OD1 2.95Å; P118-N121 WeakPolarHBondContact CD-OD1 3.36Å; P118-N121 WeakPolarHBondContact CG-OD1 3.35Å | ||
| 119 | T | 38.4 | Very low | 44.3 | Very low | 158 Ų | 158 | 105.2 Ų | 105.2 | 97% | 0.969 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -16.3 | 179.4 | 44.5 | 0 | 0 | 0 | 0 | 113.4 | A117 | A117-T119 PolarHBondContact O-N 2.84Š|
| 120 | A | 30.8 | Very low | 42.5 | Very low | 79 Ų | 79 | 103.4 Ų | 103.4 | 65% | 0.653 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.2 | 93.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | P118 | P118-A120 PolarHBondContact O-N 3.36Š|
| 121 | N | 30.8 | Very low | 40.7 | Very low | 59 Ų | 59 | 98 Ų | 98 | 32% | 0.316 | 53% | 0.53 | S | S | . | . | trans | -58.8 | 155 | 166.4 | -60.2 | -39.9 | 0 | 0 | 0 | 109 | P118 M123 | P118-N121 WeakPolarHBondContact CB-OD1 2.95Å; P118-N121 WeakPolarHBondContact CD-OD1 3.36Å; P118-N121 WeakPolarHBondContact CG-OD1 3.35Å; N121-M123 HydrophobicContact CB-CB 4.08Å; N121-M123 HydrophobicContact CB-CE 3.64Å; N121-M123 HydrophobicContact CB-CG 3.47Å; N121-M123 VanDerWaalsContact CB-CG 3.47Å; N121-M123 HydrophobicContact CB-SD 3.56Å; N121-M123 VanDerWaalsContact CB-SD 3.56Å; N121-M123 PolarHBondContact ND2-SD 3.3Å; N121-M123 WeakPolarHBondContact O-CB 3.24Å; N121-M123 PolarHBondContact O-N 3.04Å | ||
| 122 | F | 28.4 | Very low | 38.9 | Very low | 101 Ų | 101 | 100.6 Ų | 100.6 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -53.6 | 99.9 | 150.2 | -76.2 | -93.6 | 0 | 0 | 0 | 106.4 | L56 T71 R136 | L56-F122 HydrophobicContact CD2-CD1 4.46Å; L56-F122 HydrophobicContact CD2-CE1 4.19Å; T71-F122 WeakPolarHBondContact OG1-CE2 3.43Å; F122-R136 HydrophobicContact CZ-CB 4.32Å |
| 123 | M | 31.1 | Very low | 37.4 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 41% | 0.414 | 53% | 0.526 | S | S | . | . | trans | -141 | 120.8 | -166.2 | -106.5 | 173.1 | -26 | 0 | 0 | 108.3 | N121 V125 | N121-M123 HydrophobicContact CB-CB 4.08Å; N121-M123 HydrophobicContact CB-CE 3.64Å; N121-M123 HydrophobicContact CB-CG 3.47Å; N121-M123 VanDerWaalsContact CB-CG 3.47Å; N121-M123 HydrophobicContact CB-SD 3.56Å; N121-M123 VanDerWaalsContact CB-SD 3.56Å; N121-M123 PolarHBondContact ND2-SD 3.3Å; N121-M123 WeakPolarHBondContact O-CB 3.24Å; N121-M123 PolarHBondContact O-N 3.04Å; M123-V125 VanDerWaalsContact C-N 3.31Å; M123-V125 HydrophobicContact CB-CG2 4.29Å; M123-V125 PolarHBondContact O-N 2.67Å | ||
| 124 | A | 30.5 | Very low | 36.1 | Very low | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | trans | -54.9 | 102.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | N126 | A124-N126 PolarHBondContact O-N 2.9Š| ||
| 125 | V | 27.1 | Very low | 34.8 | Very low | 65 Ų | 65 | 90.8 Ų | 90.8 | 39% | 0.394 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 104.1 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | M123 K127 | M123-V125 VanDerWaalsContact C-N 3.31Å; M123-V125 HydrophobicContact CB-CG2 4.29Å; M123-V125 PolarHBondContact O-N 2.67Å; V125-K127 HydrophobicContact CG1-CG 4.08Å; V125-K127 PolarHBondContact O-N 2.81Å; V125-K127 VanDerWaalsContact O-N 3.14Å |
| 126 | N | 30.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 94.4 Ų | 94.4 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 103.8 | 167.9 | -162.6 | -1 | 0 | 0 | 0 | 107.3 | A124 | A124-N126 PolarHBondContact O-N 2.9Å |
| 127 | K | 27.5 | Very low | 32.4 | Very low | 158 Ų | 158 | 92.4 Ų | 92.4 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 98.2 | 168.5 | -97.7 | -171 | 178.3 | -171.1 | 0 | 108 | V125 E129 S130 | V125-K127 HydrophobicContact CG1-CG 4.08Å; V125-K127 PolarHBondContact O-N 2.81Å; V125-K127 VanDerWaalsContact O-N 3.14Å; K127-E129 PolarHBondContact O-N 3.39Å; K127-S130 PolarHBondContact N-O 3.43Å; K127-S130 PolarHBondContact O-N 3.41Å; K127-S130 VanDerWaalsContact O-N 3.08Å |
| 128 | E | 41.4 | Very low | 31.8 | Very low | 195 Ų | 195 | 94 Ų | 94 | 91% | 0.911 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.1 | -34.9 | 173.6 | -72.2 | 178.3 | 165.9 | 0 | 0 | 118.3 | ||
| 129 | E | 35.8 | Very low | 31.4 | Very low | 179 Ų | 179 | 100.6 Ų | 100.6 | 84% | 0.836 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.8 | 8 | 177.9 | -61.5 | -172.3 | 161.4 | 0 | 0 | 114.9 | K127 | K127-E129 PolarHBondContact O-N 3.39Š|
| 130 | S | 29.6 | Very low | 30.8 | Very low | 33 Ų | 33 | 94.9 Ų | 94.9 | 23% | 0.231 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 134.5 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | K127 | K127-S130 PolarHBondContact N-O 3.43Å; K127-S130 PolarHBondContact O-N 3.41Å; K127-S130 VanDerWaalsContact O-N 3.08Å |
| 131 | N | 31.6 | Very low | 30.9 | Very low | 18 Ų | 18 | 97.3 Ų | 97.3 | 10% | 0.096 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.9 | 171 | -69.2 | -41.3 | 0 | 0 | 0 | 109.4 | ||
| 132 | K | 27.6 | Very low | 30.7 | Very low | 79 Ų | 79 | 98.9 Ų | 98.9 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.2 | 178 | -61.3 | -169.2 | -176.6 | -141.8 | 0 | 111.1 | V148 E150 | K132-V148 HydrophobicContact CD-CG1 4.29Å; K132-V148 HydrophobicContact CG-CG1 4.42Å; K132-E150 WeakPolarHBondContact CE-OE1 3.26Å; K132-E150 HydrophobicContact CG-CG 4.27Å; K132-E150 IonicContact NZ-OE1 3.35Å; K132-E150 PolarHBondContact NZ-OE1 2.73Å |
| 133 | W | 30.8 | Very low | 30.6 | Very low | 151 Ų | 151 | 99 Ų | 99 | 57% | 0.572 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.6 | 176.2 | -55 | 87.9 | 0 | 0 | 0 | 109.8 | ||
| 134 | L | 31.8 | Very low | 30.4 | Very low | 71 Ų | 71 | 102.1 Ų | 102.1 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 124.3 | -170.3 | -55.5 | 169.4 | 0 | 0 | 0 | 111.5 | L145 V148 | L134-L145 HydrophobicContact CB-CD2 4.39Å; L134-L145 HydrophobicContact CD2-CD2 3.85Å; L134-V148 HydrophobicContact CD2-CG2 4.38Å |
| 135 | A | 31.5 | Very low | 30.2 | Very low | 44 Ų | 44 | 105.3 Ų | 105.3 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 136 | R | 30.8 | Very low | 30.2 | Very low | 136 Ų | 136 | 108.4 Ų | 108.4 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.2 | -175.8 | -178.4 | -178.6 | 175.9 | -172 | -0.5 | 111.8 | F122 | F122-R136 HydrophobicContact CZ-CB 4.32Å |
| 137 | N | 27.8 | Very low | 30 | Very low | 65 Ų | 65 | 107.2 Ų | 107.2 | 35% | 0.348 | 55% | 0.545 | S | S | . | . | trans | -88 | 119.8 | 170.7 | -155.7 | -23.4 | 0 | 0 | 0 | 110.8 | K52 K139 | K52-N137 VanDerWaalsContact CD-OD1 3.23Å; K52-N137 WeakPolarHBondContact CD-OD1 3.05Å; K52-N137 PolarHBondContact NZ-OD1 3.1Å; N137-K139 VanDerWaalsContact C-N 3.34Å; N137-K139 PolarHBondContact O-N 3.45Å | ||
| 138 | Q | 34.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 103.4 Ų | 103.4 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5.6 | -167.3 | -91.6 | 179.6 | 7.6 | 0 | 0 | 117.2 | D74 | D74-Q138 VanDerWaalsContact CB-NE2 3.27Å; D74-Q138 PolarHBondContact OD1-NE2 2.98Å |
| 139 | K | 30.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 98.1 Ų | 98.1 | 77% | 0.77 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.9 | -173.8 | -74.1 | -162.8 | 176.7 | -174.7 | 0 | 116.7 | N137 | N137-K139 VanDerWaalsContact C-N 3.34Å; N137-K139 PolarHBondContact O-N 3.45Å |
| 140 | S | 25.4 | Very low | 28.8 | Very low | 38 Ų | 38 | 95.2 Ų | 95.2 | 27% | 0.266 | 50% | 0.502 | S | S | . | . | trans | -111.5 | 126.1 | 172 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | T142 | S140-T142 WeakPolarHBondContact CB-O 2.99Å; S140-T142 PolarHBondContact O-N 3.45Å; S140-T142 PolarHBondContact OG-N 3.36Å; S140-T142 VanDerWaalsContact OG-N 3.14Å; S140-T142 PolarHBondContact OG-O 3.34Å; S140-T142 PolarHBondContact OG-OG1 2.76Å | ||
| 141 | P | 32.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 96.7 Ų | 96.7 | 85% | 0.851 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -65.8 | -13 | 168.5 | 26.1 | -30.9 | 0 | 0 | 0 | 112.1 | ||
| 142 | T | 27 | Very low | 28.5 | Very low | 92 Ų | 92 | 105.9 Ų | 105.9 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -111.8 | 121.7 | 169.2 | 39.6 | 0 | 0 | 0 | 0 | 110.6 | S140 Q144 | S140-T142 WeakPolarHBondContact CB-O 2.99Å; S140-T142 PolarHBondContact O-N 3.45Å; S140-T142 PolarHBondContact OG-N 3.36Å; S140-T142 VanDerWaalsContact OG-N 3.14Å; S140-T142 PolarHBondContact OG-O 3.34Å; S140-T142 PolarHBondContact OG-OG1 2.76Å; T142-Q144 PolarHBondContact O-N 2.98Å |
| 143 | P | 26.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 67% | 0.669 | 55% | 0.554 | S | S | * | * | trans | -64.5 | 110.7 | -174.7 | 25.3 | -32.2 | 0 | 0 | 0 | 110.6 | ||||
| 144 | Q | 26 | Very low | 28.7 | Very low | 149 Ų | 149 | 107.5 Ų | 107.5 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | trans | -108.1 | 133.8 | 164 | -75.9 | -172.4 | -16.8 | 0 | 0 | 109.1 | T142 | T142-Q144 PolarHBondContact O-N 2.98Š| ||
| 145 | L | 26.3 | Very low | 28.5 | Very low | 115 Ų | 115 | 110.5 Ų | 110.5 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.1 | -171.9 | -80.3 | 151.3 | 0 | 0 | 0 | 108.9 | L134 | L134-L145 HydrophobicContact CB-CD2 4.39Å; L134-L145 HydrophobicContact CD2-CD2 3.85Å |
| 146 | D | 28.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 110.3 Ų | 110.3 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.3 | -13.3 | -173 | -85.4 | -23.3 | 0 | 0 | 0 | 115.9 | ||
| 147 | C | 26.1 | Very low | 28 | Very low | 85 Ų | 85 | 108 Ų | 108 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -146.8 | 133.6 | 175.4 | -150.6 | 0 | 0 | 0 | 0 | 113 | ||
| 148 | V | 26.2 | Very low | 27.7 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 47% | 0.473 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.6 | 116.6 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 106.5 | K132 L134 E150 | K132-V148 HydrophobicContact CD-CG1 4.29Å; K132-V148 HydrophobicContact CG-CG1 4.42Å; L134-V148 HydrophobicContact CD2-CG2 4.38Å; V148-E150 HydrophobicContact CG1-CG 4.13Å |
| 149 | V | 27.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 113.2 Ų | 113.2 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.6 | 166.5 | -178.7 | 0 | 0 | 0 | 0 | 107.1 | T151 | V149-T151 HydrophobicContact CG1-CG2 4.21Å |
| 150 | E | 25.9 | Very low | 26.9 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.5 | 174.9 | -78.9 | 178.1 | 172.8 | 0 | 0 | 108.5 | K132 V148 | K132-E150 WeakPolarHBondContact CE-OE1 3.26Å; K132-E150 HydrophobicContact CG-CG 4.27Å; K132-E150 IonicContact NZ-OE1 3.35Å; K132-E150 PolarHBondContact NZ-OE1 2.73Å; V148-E150 HydrophobicContact CG1-CG 4.13Å |
| 151 | T | 29.2 | Very low | 26.9 | Very low | 65 Ų | 65 | 117 Ų | 117 | 40% | 0.399 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.3 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | V149 S153 | V149-T151 HydrophobicContact CG1-CG2 4.21Å; T151-S153 PolarHBondContact O-N 2.94Å |
| 152 | K | 26.7 | Very low | 26.6 | Very low | 210 Ų | 210 | 113 Ų | 113 | 91% | 0.913 | 60% | 0.604 | S | S | * | * | trans | -83.4 | 77 | 171.7 | -71.2 | -173.6 | 177.2 | -174.5 | 0 | 109.3 | ||||
| 153 | S | 31.4 | Very low | 26.6 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 45% | 0.448 | 60% | 0.603 | S | S | . | * | trans | -94.6 | 128.3 | 166.5 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | T151 F155 | T151-S153 PolarHBondContact O-N 2.94Å; S153-F155 PolarHBondContact O-N 3.48Å; S153-F155 PolarHBondContact OG-N 3.08Å; S153-F155 VanDerWaalsContact OG-N 3.16Å; S153-F155 PolarHBondContact OG-O 2.89Å | ||
| 154 | K | 30.4 | Very low | 26.6 | Very low | 201 Ų | 201 | 118.7 Ų | 118.7 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -68.7 | -4.7 | 171.7 | -97.4 | -173.1 | 176 | -176.6 | 0 | 113.4 | ||
| 155 | F | 27.2 | Very low | 26.7 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -120.2 | 123.2 | -169.1 | -59.7 | -66.5 | 0 | 0 | 0 | 110.8 | S153 I159 | S153-F155 PolarHBondContact O-N 3.48Å; S153-F155 PolarHBondContact OG-N 3.08Å; S153-F155 VanDerWaalsContact OG-N 3.16Å; S153-F155 PolarHBondContact OG-O 2.89Å; F155-I159 HydrophobicContact CB-CD1 3.49Å; F155-I159 VanDerWaalsContact CB-CD1 3.49Å; F155-I159 HydrophobicContact CB-CG1 4.03Å; F155-I159 HydrophobicContact CD1-CD1 3.68Å; F155-I159 HydrophobicContact CG-CD1 3.72Å |
| 156 | G | 25.3 | Very low | 26.8 | Very low | 40 Ų | 40 | 115 Ų | 115 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | trans | -63 | 162.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q158 I159 | G156-Q158 PolarHBondContact O-N 3.22Å; G156-I159 PolarHBondContact O-N 2.95Å | ||
| 157 | V | 26.6 | Very low | 26.8 | Very low | 88 Ų | 88 | 111.9 Ų | 111.9 | 53% | 0.533 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -57.9 | -12.5 | -172.4 | -166.8 | 0 | 0 | 0 | 0 | 113.8 | I159 | V157-I159 PolarHBondContact O-N 3.36Š|
| 158 | Q | 22.6 | Very low | 27.1 | Very low | 163 Ų | 163 | 112.2 Ų | 112.2 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -68.4 | -6.2 | 175.4 | -74.8 | -177.1 | -8.7 | 0 | 0 | 114.9 | G156 Y161 | G156-Q158 PolarHBondContact O-N 3.22Å; Q158-Y161 HydrophobicContact CB-CD2 4.47Å; Q158-Y161 WeakPolarHBondContact O-CB 3.37Å; Q158-Y161 WeakPolarHBondContact O-CD2 3.44Å; Q158-Y161 PolarHBondContact O-N 3.34Å |
| 159 | I | 23.3 | Very low | 27.3 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -82.8 | -11.8 | -176.2 | -58.3 | -147.2 | 0 | 0 | 0 | 114.3 | F155 G156 V157 Y161 | F155-I159 HydrophobicContact CB-CD1 3.49Å; F155-I159 VanDerWaalsContact CB-CD1 3.49Å; F155-I159 HydrophobicContact CB-CG1 4.03Å; F155-I159 HydrophobicContact CD1-CD1 3.68Å; F155-I159 HydrophobicContact CG-CD1 3.72Å; G156-I159 PolarHBondContact O-N 2.95Å; V157-I159 PolarHBondContact O-N 3.36Å; I159-Y161 PolarHBondContact O-N 3.29Å; I159-Y161 VanDerWaalsContact O-N 3.12Å |
| 160 | L | 23.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 109.3 Ų | 109.3 | 83% | 0.832 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -73.9 | 2.6 | 169.7 | -73.9 | 167 | 0 | 0 | 0 | 113 | ||
| 161 | Y | 26.6 | Very low | 27.8 | Very low | 135 Ų | 135 | 110.5 Ų | 110.5 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | trans | -87.4 | 120.7 | 178.8 | -74.2 | -96.8 | 0 | 0 | 0 | 113.8 | L62 Q158 I159 | L62-Y161 HydrophobicContact CD2-CE1 4.3Å; Q158-Y161 HydrophobicContact CB-CD2 4.47Å; Q158-Y161 WeakPolarHBondContact O-CB 3.37Å; Q158-Y161 WeakPolarHBondContact O-CD2 3.44Å; Q158-Y161 PolarHBondContact O-N 3.34Å; I159-Y161 PolarHBondContact O-N 3.29Å; I159-Y161 VanDerWaalsContact O-N 3.12Å | ||
| 162 | G | 25.8 | Very low | 28.1 | Very low | 46 Ų | 46 | 115.5 Ų | 115.5 | 47% | 0.474 | 57% | 0.572 | S | S | . | * | 88.6 | 87.8 | 129 | 0 | 0 | 0 | 0 | 0 | 118.9 | K164 N165 | G162-K164 PolarHBondContact O-N 2.78Å; G162-N165 PolarHBondContact O-N 3.22Å | |||
| 163 | R | 26.4 | Very low | 28.3 | Very low | 146 Ų | 146 | 108.5 Ų | 108.5 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -44.5 | -21.8 | 164.9 | -127 | 177.7 | -169.2 | -174 | 2.1 | 115.2 | N165 L166 V167 | R163-N165 VanDerWaalsContact C-N 3.32Å; R163-N165 PolarHBondContact O-N 3.28Å; R163-L166 PolarHBondContact O-N 3.24Å; R163-V167 WeakPolarHBondContact O-CG2 3.26Å; R163-V167 PolarHBondContact O-N 3.19Å |
| 164 | K | 27.6 | Very low | 28.5 | Very low | 170 Ų | 170 | 108.1 Ų | 108.1 | 74% | 0.739 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.2 | -32.7 | 176.4 | -131.3 | 178.6 | -177.9 | -177.3 | 0 | 112.9 | G162 V167 N168 | G162-K164 PolarHBondContact O-N 2.78Å; K164-V167 PolarHBondContact O-N 2.87Å; K164-N168 PolarHBondContact O-N 3.37Å |
| 165 | N | 27.8 | Very low | 28.9 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.3 | -33.4 | 177.8 | -74 | -10.3 | 0 | 0 | 0 | 112.4 | G162 R163 V167 N168 A169 | G162-N165 PolarHBondContact O-N 3.22Å; R163-N165 VanDerWaalsContact C-N 3.32Å; R163-N165 PolarHBondContact O-N 3.28Å; N165-V167 VanDerWaalsContact C-N 3.34Å; N165-N168 PolarHBondContact O-N 3Å; N165-A169 VanDerWaalsContact O-CB 3.31Å; N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.23Å |
| 166 | L | 29.5 | Very low | 29.6 | Very low | 68 Ų | 68 | 98.9 Ų | 98.9 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 173.1 | -118.4 | 147 | 0 | 0 | 0 | 110.7 | R163 Y170 | R163-L166 PolarHBondContact O-N 3.24Å; L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 3.35Å |
| 167 | V | 28.4 | Very low | 30.6 | Very low | 66 Ų | 66 | 97.8 Ų | 97.8 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | R163 K164 N165 Y170 Y171 | R163-V167 WeakPolarHBondContact O-CG2 3.26Å; R163-V167 PolarHBondContact O-N 3.19Å; K164-V167 PolarHBondContact O-N 2.87Å; N165-V167 VanDerWaalsContact C-N 3.34Å; V167-Y170 PolarHBondContact O-N 3.34Å; V167-Y171 HydrophobicContact CG1-CD2 3.45Å; V167-Y171 VanDerWaalsContact CG1-CD2 3.45Å; V167-Y171 HydrophobicContact CG1-CE2 3.19Å; V167-Y171 WeakPolarHBondContact O-CD2 3.33Å; V167-Y171 PolarHBondContact O-N 3.09Å |
| 168 | N | 31.3 | Very low | 31.6 | Very low | 93 Ų | 93 | 94.8 Ų | 94.8 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 177.2 | -85.1 | 6.1 | 0 | 0 | 0 | 112.9 | K164 N165 Y170 Y171 E172 | K164-N168 PolarHBondContact O-N 3.37Å; N165-N168 PolarHBondContact O-N 3Å; N168-Y170 PolarHBondContact O-N 3.38Å; N168-Y171 PolarHBondContact O-N 3.09Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; N168-E172 PolarHBondContact O-N 3.23Å |
| 169 | A | 31.1 | Very low | 32.6 | Very low | 36 Ų | 36 | 90.4 Ų | 90.4 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N165 M173 | N165-A169 VanDerWaalsContact O-CB 3.31Å; N165-A169 WeakPolarHBondContact O-CB 3.38Å; N165-A169 PolarHBondContact O-N 3.23Å; A169-M173 WeakPolarHBondContact O-CE 2.89Å; A169-M173 WeakPolarHBondContact O-CG 3.21Å |
| 170 | Y | 32.1 | Very low | 33.9 | Very low | 64 Ų | 64 | 86.1 Ų | 86.1 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73 | -32.3 | 176.4 | -157.9 | -89.3 | 0 | 0 | 0 | 112.9 | L166 V167 N168 A177 Y439 | L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 3.35Å; V167-Y170 PolarHBondContact O-N 3.34Å; N168-Y170 PolarHBondContact O-N 3.38Å; Y170-A177 HydrophobicContact CE2-CB 4.07Å; Y170-Y439 HydrophobicContact CD1-CD1 4.46Å; Y170-Y439 HydrophobicContact CD2-CD1 4.24Å; Y170-Y439 HydrophobicContact CE1-CD1 4.03Å; Y170-Y439 AromaticContact CE2-CD1 3.78Å; Y170-Y439 HydrophobicContact CE2-CD1 3.78Å; Y170-Y439 HydrophobicContact CE2-CE1 4.32Å; Y170-Y439 AromaticContact CZ-CD1 3.67Å |
| 171 | Y | 30.5 | Very low | 35.2 | Very low | 143 Ų | 143 | 85.1 Ų | 85.1 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.7 | -33.4 | 176.6 | -87.5 | -60.5 | 0 | 0 | 0 | 113.8 | V167 N168 M173 | V167-Y171 HydrophobicContact CG1-CD2 3.45Å; V167-Y171 VanDerWaalsContact CG1-CD2 3.45Å; V167-Y171 HydrophobicContact CG1-CE2 3.19Å; V167-Y171 WeakPolarHBondContact O-CD2 3.33Å; V167-Y171 PolarHBondContact O-N 3.09Å; N168-Y171 PolarHBondContact O-N 3.09Å; N168-Y171 VanDerWaalsContact O-N 3.1Å; Y171-M173 PolarHBondContact O-N 3.09Å; Y171-M173 VanDerWaalsContact O-N 3.11Å |
| 172 | E | 35.2 | Very low | 36.8 | Very low | 171 Ų | 171 | 83.2 Ų | 83.2 | 80% | 0.799 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.4 | 179.3 | -75.4 | 179.1 | 175.2 | 0 | 0 | 113.4 | N168 | N168-E172 PolarHBondContact O-N 3.23Š|
| 173 | M | 32.3 | Very low | 38.4 | Very low | 62 Ų | 62 | 87 Ų | 87 | 31% | 0.305 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 3 | -166.4 | -60.5 | -170.6 | -163.4 | 0 | 0 | 116.9 | A169 Y171 Y197 | A169-M173 WeakPolarHBondContact O-CE 2.89Å; A169-M173 WeakPolarHBondContact O-CG 3.21Å; Y171-M173 PolarHBondContact O-N 3.09Å; Y171-M173 VanDerWaalsContact O-N 3.11Å; M173-Y197 HydrophobicContact CE-CD1 4.22Å; M173-Y197 HydrophobicContact CE-CE1 3.65Å; M173-Y197 HydrophobicContact SD-CD1 4.2Å; M173-Y197 HydrophobicContact SD-CE1 3.55Å; M173-Y197 VanDerWaalsContact SD-CE1 3.55Å |
| 174 | G | 35.3 | Very low | 40.1 | Very low | 56 Ų | 56 | 87.4 Ų | 87.4 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | trans | 74.6 | -152.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S176 | G174-S176 PolarHBondContact O-N 2.91Š| ||
| 175 | E | 39.5 | Very low | 41.6 | Very low | 138 Ų | 138 | 80.7 Ų | 80.7 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -71.1 | 4.4 | -159.3 | -70.6 | -156 | 159.2 | 0 | 0 | 116.9 | Y442 | E175-Y442 WeakPolarHBondContact CA-OH 3.36Å; E175-Y442 HydrophobicContact CB-CE2 4.4Å; E175-Y442 WeakPolarHBondContact CB-OH 3.37Å; E175-Y442 VanDerWaalsContact CG-OH 3.22Å; E175-Y442 WeakPolarHBondContact CG-OH 3.34Å; E175-Y442 WeakPolarHBondContact O-CE1 2.84Å; E175-Y442 WeakPolarHBondContact O-CE2 3.3Å; E175-Y442 PolarHBondContact O-OH 3.14Å; E175-Y442 VanDerWaalsContact O-OH 3.07Å |
| 176 | S | 41 | Very low | 42.9 | Very low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | trans | -176.3 | 143.6 | 152.6 | 127.2 | 0 | 0 | 0 | 0 | 106 | G174 F178 D179 | G174-S176 PolarHBondContact O-N 2.91Å; S176-F178 PolarHBondContact O-N 3.37Å; S176-F178 PolarHBondContact OG-N 2.77Å; S176-D179 WeakPolarHBondContact CB-OD2 3.29Å; S176-D179 PolarHBondContact O-N 3.06Å; S176-D179 VanDerWaalsContact O-N 3.08Å; S176-D179 WeakPolarHBondContact OG-CB 3.47Å; S176-D179 PolarHBondContact OG-N 3.15Å; S176-D179 PolarHBondContact OG-OD2 3.49Å | ||
| 177 | A | 46.5 | Very low | 44.4 | Very low | 17 Ų | 17 | 80.9 Ų | 80.9 | 14% | 0.14 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y170 | Y170-A177 HydrophobicContact CE2-CB 4.07Š|
| 178 | F | 47.6 | Very low | 46 | Very low | 26 Ų | 26 | 83 Ų | 83 | 11% | 0.114 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -6.3 | 178.4 | -52.3 | -69.2 | 0 | 0 | 0 | 114.4 | S176 C180 L189 F237 D240 | S176-F178 PolarHBondContact O-N 3.37Å; S176-F178 PolarHBondContact OG-N 2.77Å; F178-C180 PolarHBondContact O-N 3.15Å; F178-L189 HydrophobicContact CD1-CD1 4.29Å; F178-L189 HydrophobicContact CD1-CD2 4.08Å; F178-L189 HydrophobicContact CE1-CD2 4.44Å; F178-F237 HydrophobicContact CB-CD2 4.33Å; F178-F237 HydrophobicContact CB-CE2 4.41Å; F178-F237 AromaticContact CD1-CD2 3.33Å; F178-F237 HydrophobicContact CD1-CD2 3.33Å; F178-F237 AromaticContact CD1-CE2 3.6Å; F178-F237 HydrophobicContact CD1-CE2 3.6Å; F178-F237 HydrophobicContact CD1-CG 4.48Å; F178-F237 AromaticContact CD2-CD2 3.82Å; F178-F237 HydrophobicContact CD2-CD2 3.82Å; F178-F237 HydrophobicContact CE1-CB 4.33Å; F178-F237 AromaticContact CE1-CD2 3.37Å; F178-F237 HydrophobicContact CE1-CD2 3.37Å; F178-F237 AromaticContact CE1-CE2 3.94Å; F178-F237 HydrophobicContact CE1-CE2 3.94Å; F178-F237 HydrophobicContact CE1-CG 4.16Å; F178-F237 HydrophobicContact CE2-CB 3.89Å; F178-F237 AromaticContact CE2-CD2 3.85Å; F178-F237 HydrophobicContact CE2-CD2 3.85Å; F178-F237 HydrophobicContact CE2-CG 4.38Å; F178-F237 AromaticContact CG-CD2 3.55Å; F178-F237 HydrophobicContact CG-CD2 3.55Å; F178-F237 AromaticContact CG-CE2 3.99Å; F178-F237 HydrophobicContact CG-CE2 3.99Å; F178-F237 HydrophobicContact CZ-CB 3.77Å; F178-F237 AromaticContact CZ-CD2 3.63Å; F178-F237 HydrophobicContact CZ-CD2 3.63Å; F178-F237 HydrophobicContact CZ-CG 4.1Å; F178-D240 WeakPolarHBondContact CD2-OD2 3.33Å |
| 179 | D | 44.1 | Very low | 47.4 | Very low | 71 Ų | 71 | 78.8 Ų | 78.8 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -98.8 | 53.5 | 170.4 | -64.8 | -57.3 | 0 | 0 | 0 | 110.5 | S176 N181 | S176-D179 WeakPolarHBondContact CB-OD2 3.29Å; S176-D179 PolarHBondContact O-N 3.06Å; S176-D179 VanDerWaalsContact O-N 3.08Å; S176-D179 WeakPolarHBondContact OG-CB 3.47Å; S176-D179 PolarHBondContact OG-N 3.15Å; S176-D179 PolarHBondContact OG-OD2 3.49Å; D179-N181 PolarHBondContact O-N 3.35Å | ||
| 180 | C | 50.4 | Low | 48.8 | Very low | 22 Ų | 22 | 85.3 Ų | 85.3 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | trans | -57.9 | 130.2 | 165.6 | 37.5 | 0 | 0 | 0 | 0 | 109.5 | F178 D182 C185 K186 L189 | F178-C180 PolarHBondContact O-N 3.15Å; C180-D182 PolarHBondContact O-N 3.19Å; C180-C185 HydrophobicContact CB-CB 3.7Å; C180-C185 WeakPolarHBondContact CB-SG 3.3Å; C180-C185 WeakPolarHBondContact SG-CB 3.37Å; C180-C185 CovalentContact SG-SG 2.04Å; C180-C185 PolarHBondContact SG-SG 3.06Å; C180-K186 WeakPolarHBondContact O-CD 3.48Å; C180-K186 WeakPolarHBondContact O-CE 2.97Å; C180-K186 VanDerWaalsContact O-CG 3.32Å; C180-K186 WeakPolarHBondContact O-CG 3.48Å; C180-K186 PolarHBondContact O-NZ 2.88Å; C180-K186 PolarHBondContact SG-N 3.38Å; C180-L189 VanDerWaalsContact SG-CD1 3.5Å | ||
| 181 | N | 50.1 | Low | 50.4 | Low | 137 Ų | 137 | 87.1 Ų | 87.1 | 73% | 0.733 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -62.3 | -27.7 | -178.3 | -75 | -27.8 | 0 | 0 | 0 | 111.9 | D179 E183 | D179-N181 PolarHBondContact O-N 3.35Å; N181-E183 PolarHBondContact O-N 3.02Å |
| 182 | D | 60.2 | Low | 52.2 | Low | 95 Ų | 95 | 82.5 Ų | 82.5 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -70.7 | 123.1 | 177.1 | -179.4 | 15.1 | 0 | 0 | 0 | 112.4 | C180 K184 C185 K186 | C180-D182 PolarHBondContact O-N 3.19Å; D182-K184 PolarHBondContact O-N 3Å; D182-K184 PolarHBondContact OD1-N 2.87Å; D182-C185 HydrophobicContact CB-CB 4.16Å; D182-C185 PolarHBondContact O-N 3.07Å; D182-K186 PolarHBondContact O-N 2.89Å |
| 183 | E | 59 | Low | 53.5 | Low | 127 Ų | 127 | 75.9 Ų | 75.9 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.4 | -34.7 | 178.2 | -121.3 | -137.2 | -174 | 0 | 0 | 112.4 | N181 K186 K187 | N181-E183 PolarHBondContact O-N 3.02Å; E183-K186 PolarHBondContact O-N 2.79Å; E183-K187 WeakPolarHBondContact O-CG 3.48Å; E183-K187 PolarHBondContact O-N 2.84Å; E183-K187 IonicContact OE2-NZ 3.87Å; E183-K187 PolarHBondContact OE2-NZ 3.49Å |
| 184 | K | 62.5 | Low | 54.9 | Low | 154 Ų | 154 | 73 Ų | 73 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.7 | -46.7 | 179.5 | -172.6 | 179.5 | 177.1 | -176.6 | 0 | 110.9 | D182 K186 K187 E188 | D182-K184 PolarHBondContact O-N 3Å; D182-K184 PolarHBondContact OD1-N 2.87Å; K184-K186 PolarHBondContact O-N 3.32Å; K184-K187 PolarHBondContact O-N 3.32Å; K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 PolarHBondContact O-N 2.81Å |
| 185 | C | 58.7 | Low | 56.2 | Low | 29 Ų | 29 | 76.5 Ų | 76.5 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 174.1 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | C180 D182 K187 E188 L189 | C180-C185 HydrophobicContact CB-CB 3.7Å; C180-C185 WeakPolarHBondContact CB-SG 3.3Å; C180-C185 WeakPolarHBondContact SG-CB 3.37Å; C180-C185 CovalentContact SG-SG 2.04Å; C180-C185 PolarHBondContact SG-SG 3.06Å; D182-C185 HydrophobicContact CB-CB 4.16Å; D182-C185 PolarHBondContact O-N 3.07Å; C185-K187 VanDerWaalsContact C-N 3.35Å; C185-K187 PolarHBondContact O-N 2.65Å; C185-E188 PolarHBondContact O-N 2.76Å; C185-L189 WeakPolarHBondContact O-CB 3.39Å; C185-L189 PolarHBondContact O-N 1.97Å |
| 186 | K | 55.3 | Low | 57 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 26% | 0.261 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.5 | -81.3 | 171.9 | 168.3 | 151.1 | 0 | 112.3 | C180 D182 E183 K184 R190 | C180-K186 WeakPolarHBondContact O-CD 3.48Å; C180-K186 WeakPolarHBondContact O-CE 2.97Å; C180-K186 VanDerWaalsContact O-CG 3.32Å; C180-K186 WeakPolarHBondContact O-CG 3.48Å; C180-K186 PolarHBondContact O-NZ 2.88Å; C180-K186 PolarHBondContact SG-N 3.38Å; D182-K186 PolarHBondContact O-N 2.89Å; E183-K186 PolarHBondContact O-N 2.79Å; K184-K186 PolarHBondContact O-N 3.32Å; K186-R190 WeakPolarHBondContact O-CB 3.36Å; K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.49Å; K186-R190 PolarHBondContact O-N 3.42Å |
| 187 | K | 61.2 | Low | 57.8 | Low | 129 Ų | 129 | 76.1 Ų | 76.1 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 177.2 | -80.1 | 172.1 | 174.8 | 155.1 | 0 | 111.6 | E183 K184 C185 S191 | E183-K187 WeakPolarHBondContact O-CG 3.48Å; E183-K187 PolarHBondContact O-N 2.84Å; E183-K187 IonicContact OE2-NZ 3.87Å; E183-K187 PolarHBondContact OE2-NZ 3.49Å; K184-K187 PolarHBondContact O-N 3.32Å; C185-K187 VanDerWaalsContact C-N 3.35Å; C185-K187 PolarHBondContact O-N 2.65Å; K187-S191 WeakPolarHBondContact O-CB 3.4Å; K187-S191 PolarHBondContact O-N 3.2Å; K187-S191 PolarHBondContact O-OG 2.82Å |
| 188 | E | 63 | Low | 58.5 | Low | 110 Ų | 110 | 75.9 Ų | 75.9 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.4 | -45.9 | 179 | -170.5 | 176.4 | 171.9 | 0 | 0 | 112.7 | K184 C185 R190 S191 N192 | K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 PolarHBondContact O-N 2.81Å; C185-E188 PolarHBondContact O-N 2.76Å; E188-R190 VanDerWaalsContact C-N 3.33Å; E188-R190 PolarHBondContact O-N 3.47Å; E188-S191 WeakPolarHBondContact CA-OG 3.41Å; E188-S191 PolarHBondContact O-N 2.8Å; E188-S191 PolarHBondContact O-OG 2.84Å; E188-N192 PolarHBondContact O-N 2.9Å; E188-N192 PolarHBondContact O-OD1 3.09Å |
| 189 | L | 59.1 | Low | 59.1 | Low | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.8 | -82.6 | 171.4 | 0 | 0 | 0 | 112.2 | F178 C180 C185 N192 G193 G194 Y197 | F178-L189 HydrophobicContact CD1-CD1 4.29Å; F178-L189 HydrophobicContact CD1-CD2 4.08Å; F178-L189 HydrophobicContact CE1-CD2 4.44Å; C180-L189 VanDerWaalsContact SG-CD1 3.5Å; C185-L189 WeakPolarHBondContact O-CB 3.39Å; C185-L189 PolarHBondContact O-N 1.97Å; L189-N192 PolarHBondContact O-OD1 3.39Å; L189-G193 WeakPolarHBondContact O-CA 3.41Å; L189-G193 PolarHBondContact O-N 2.79Å; L189-G194 PolarHBondContact O-N 3.08Å; L189-Y197 HydrophobicContact CD2-CD2 3.52Å; L189-Y197 HydrophobicContact CD2-CE2 3.15Å; L189-Y197 HydrophobicContact CG-CE2 4.23Å |
| 190 | R | 61.2 | Low | 59.3 | Low | 173 Ų | 173 | 82.7 Ų | 82.7 | 65% | 0.653 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.9 | -34.2 | 177.4 | -72.7 | 178.1 | -179.7 | -179.9 | 0.6 | 112.2 | K186 E188 | K186-R190 WeakPolarHBondContact O-CB 3.36Å; K186-R190 VanDerWaalsContact O-CG 3.25Å; K186-R190 WeakPolarHBondContact O-CG 3.49Å; K186-R190 PolarHBondContact O-N 3.42Å; E188-R190 VanDerWaalsContact C-N 3.33Å; E188-R190 PolarHBondContact O-N 3.47Å |
| 191 | S | 64.9 | Low | 59.2 | Low | 101 Ų | 101 | 83.1 Ų | 83.1 | 71% | 0.706 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.5 | -34 | -179.4 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | K187 E188 | K187-S191 WeakPolarHBondContact O-CB 3.4Å; K187-S191 PolarHBondContact O-N 3.2Å; K187-S191 PolarHBondContact O-OG 2.82Å; E188-S191 WeakPolarHBondContact CA-OG 3.41Å; E188-S191 PolarHBondContact O-N 2.8Å; E188-S191 PolarHBondContact O-OG 2.84Å |
| 192 | N | 68.2 | Low | 59 | Low | 46 Ų | 46 | 82.8 Ų | 82.8 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -96.5 | -0.4 | 178.3 | 76.3 | 13.6 | 0 | 0 | 0 | 114 | E188 L189 G194 K195 T196 | E188-N192 PolarHBondContact O-N 2.9Å; E188-N192 PolarHBondContact O-OD1 3.09Å; L189-N192 PolarHBondContact O-OD1 3.39Å; N192-G194 VanDerWaalsContact C-N 3.29Å; N192-G194 PolarHBondContact O-N 3.48Å; N192-G194 WeakPolarHBondContact OD1-CA 3.48Å; N192-G194 PolarHBondContact OD1-N 3.02Å; N192-K195 VanDerWaalsContact O-CB 3.22Å; N192-K195 WeakPolarHBondContact O-CB 3.48Å; N192-K195 PolarHBondContact O-N 2.93Å; N192-T196 PolarHBondContact ND2-OG1 3.15Å |
| 193 | G | 62.9 | Low | 58.6 | Low | 33 Ų | 33 | 84.2 Ų | 84.2 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L189 K195 H198 F237 | L189-G193 WeakPolarHBondContact O-CA 3.41Å; L189-G193 PolarHBondContact O-N 2.79Å; G193-K195 PolarHBondContact O-N 2.97Å; G193-H198 PolarHBondContact O-CD2 3.43Å; G193-H198 PolarHBondContact O-NE2 2.71Å; G193-H198 VanDerWaalsContact O-NE2 3.09Å; G193-F237 VanDerWaalsContact C-CE1 3.42Å; G193-F237 WeakPolarHBondContact O-CE1 3.04Å |
| 194 | G | 62.2 | Low | 58.2 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L189 N192 T196 Y197 H198 | L189-G194 PolarHBondContact O-N 3.08Å; N192-G194 VanDerWaalsContact C-N 3.29Å; N192-G194 PolarHBondContact O-N 3.48Å; N192-G194 WeakPolarHBondContact OD1-CA 3.48Å; N192-G194 PolarHBondContact OD1-N 3.02Å; G194-T196 VanDerWaalsContact C-N 3.33Å; G194-T196 PolarHBondContact O-N 2.68Å; G194-T196 VanDerWaalsContact O-N 3.16Å; G194-Y197 WeakPolarHBondContact O-CA 3.47Å; G194-Y197 VanDerWaalsContact O-CB 3.32Å; G194-Y197 WeakPolarHBondContact O-CB 3.17Å; G194-Y197 PolarHBondContact O-N 3.22Å; G194-H198 PolarHBondContact O-CD2 3.17Å; G194-H198 VanDerWaalsContact O-CD2 3.26Å; G194-H198 PolarHBondContact O-N 2.65Å; G194-H198 VanDerWaalsContact O-N 3.13Å |
| 195 | K | 62.3 | Low | 57.6 | Low | 130 Ų | 130 | 78.9 Ų | 78.9 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -50.5 | -45.3 | -171.3 | -178.8 | 176.9 | -179.1 | 179.9 | 0 | 114.4 | N192 G193 Y197 H198 D199 | N192-K195 VanDerWaalsContact O-CB 3.22Å; N192-K195 WeakPolarHBondContact O-CB 3.48Å; N192-K195 PolarHBondContact O-N 2.93Å; G193-K195 PolarHBondContact O-N 2.97Å; K195-Y197 PolarHBondContact O-N 2.97Å; K195-H198 PolarHBondContact O-N 2.84Å; K195-D199 WeakPolarHBondContact O-CB 3.34Å; K195-D199 PolarHBondContact O-N 2.78Å |
| 196 | T | 57.5 | Low | 57.5 | Low | 67 Ų | 67 | 77.8 Ų | 77.8 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -16.5 | 179.7 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | N192 G194 | N192-T196 PolarHBondContact ND2-OG1 3.15Å; G194-T196 VanDerWaalsContact C-N 3.33Å; G194-T196 PolarHBondContact O-N 2.68Å; G194-T196 VanDerWaalsContact O-N 3.16Å |
| 197 | Y | 57.2 | Low | 57.5 | Low | 66 Ų | 66 | 77.8 Ų | 77.8 | 26% | 0.259 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -99.1 | -43.2 | 178.8 | -59.7 | -94.6 | 0 | 0 | 0 | 111.3 | M173 L189 G194 K195 D199 K200 E201 | M173-Y197 HydrophobicContact CE-CD1 4.22Å; M173-Y197 HydrophobicContact CE-CE1 3.65Å; M173-Y197 HydrophobicContact SD-CD1 4.2Å; M173-Y197 HydrophobicContact SD-CE1 3.55Å; M173-Y197 VanDerWaalsContact SD-CE1 3.55Å; L189-Y197 HydrophobicContact CD2-CD2 3.52Å; L189-Y197 HydrophobicContact CD2-CE2 3.15Å; L189-Y197 HydrophobicContact CG-CE2 4.23Å; G194-Y197 WeakPolarHBondContact O-CA 3.47Å; G194-Y197 VanDerWaalsContact O-CB 3.32Å; G194-Y197 WeakPolarHBondContact O-CB 3.17Å; G194-Y197 PolarHBondContact O-N 3.22Å; K195-Y197 PolarHBondContact O-N 2.97Å; Y197-D199 PolarHBondContact O-N 3.41Å; Y197-K200 WeakPolarHBondContact O-CB 3.27Å; Y197-K200 PolarHBondContact O-N 3.4Å; Y197-E201 PolarHBondContact O-N 3.02Å |
| 198 | H | 60.3 | Low | 57.7 | Low | 12 Ų | 12 | 77.8 Ų | 77.8 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 172 | -54.9 | -40.1 | 0 | 0 | 0 | 110.8 | G193 G194 K195 K200 E201 K231 S233 E234 | G193-H198 PolarHBondContact O-CD2 3.43Å; G193-H198 PolarHBondContact O-NE2 2.71Å; G193-H198 VanDerWaalsContact O-NE2 3.09Å; G194-H198 PolarHBondContact O-CD2 3.17Å; G194-H198 VanDerWaalsContact O-CD2 3.26Å; G194-H198 PolarHBondContact O-N 2.65Å; G194-H198 VanDerWaalsContact O-N 3.13Å; K195-H198 PolarHBondContact O-N 2.84Å; H198-K200 PolarHBondContact O-N 2.98Å; H198-E201 PolarHBondContact O-N 2.94Å; H198-E201 VanDerWaalsContact O-N 3.07Å; H198-K231 HydrophobicContact CB-CD 4.26Å; H198-K231 WeakPolarHBondContact O-CD 3.47Å; H198-K231 WeakPolarHBondContact O-CE 3.45Å; H198-K231 PolarHBondContact O-NZ 2.74Å; H198-S233 VanDerWaalsContact CE1-C 3.48Å; H198-S233 PolarHBondContact CE1-O 3.36Å; H198-S233 WeakPolarHBondContact ND1-CB 3.47Å; H198-S233 PolarHBondContact ND1-OG 3.44Å; H198-E234 HydrophobicContact CB-CG 4.08Å; H198-E234 PolarHBondContact CE1-N 2.83Å; H198-E234 VanDerWaalsContact CG-CG 3.48Å; H198-E234 WeakPolarHBondContact ND1-CG 3.5Å; H198-E234 PolarHBondContact ND1-N 3.33Å |
| 199 | D | 60.6 | Low | 57.8 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.6 | 178.5 | -71.4 | -18 | 0 | 0 | 0 | 113.7 | K195 Y197 | K195-D199 WeakPolarHBondContact O-CB 3.34Å; K195-D199 PolarHBondContact O-N 2.78Å; Y197-D199 PolarHBondContact O-N 3.41Å |
| 200 | K | 49.5 | Very low | 58 | Low | 135 Ų | 135 | 73 Ų | 73 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -20.5 | 175.5 | -65.1 | 178 | -177.7 | 177.8 | 0 | 113.1 | Y197 H198 | Y197-K200 WeakPolarHBondContact O-CB 3.27Å; Y197-K200 PolarHBondContact O-N 3.4Å; H198-K200 PolarHBondContact O-N 2.98Å |
| 201 | E | 48.5 | Very low | 58 | Low | 31 Ų | 31 | 65.1 Ų | 65.1 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -75.9 | 131.5 | 175.8 | -170.2 | -173.6 | 162.6 | 0 | 0 | 109.6 | Y197 H198 K231 F232 S233 | Y197-E201 PolarHBondContact O-N 3.02Å; H198-E201 PolarHBondContact O-N 2.94Å; H198-E201 VanDerWaalsContact O-N 3.07Å; E201-K231 HydrophobicContact CB-CD 4.19Å; E201-K231 PolarHBondContact O-NZ 3.06Å; E201-K231 WeakPolarHBondContact OE2-CB 3.33Å; E201-F232 VanDerWaalsContact OE1-CB 3.24Å; E201-F232 WeakPolarHBondContact OE1-CB 3.38Å; E201-F232 PolarHBondContact OE1-N 2.98Å; E201-F232 PolarHBondContact OE2-N 3.31Å; E201-S233 WeakPolarHBondContact OE2-CA 3.3Å; E201-S233 WeakPolarHBondContact OE2-CB 3.5Å; E201-S233 PolarHBondContact OE2-N 3.01Å; E201-S233 PolarHBondContact OE2-OG 3.14Å |
| 202 | I | 45.8 | Very low | 58.2 | Low | 131 Ų | 131 | 61.4 Ų | 61.4 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 151.9 | 172.6 | -60.8 | 172.5 | 0 | 0 | 0 | 108.6 | ||
| 203 | D | 50.7 | Low | 57.9 | Low | 124 Ų | 124 | 59.4 Ų | 59.4 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 131.7 | 173.5 | -65 | -28.7 | 0 | 0 | 0 | 110.7 | ||
| 204 | P | 50.9 | Low | 58.1 | Low | 25 Ų | 25 | 57.9 Ų | 57.9 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 154.2 | -175 | 29.3 | -39.4 | 0 | 0 | 0 | 111.7 | E228 E230 | P204-E228 WeakPolarHBondContact CG-O 3.34Å; P204-E230 WeakPolarHBondContact CG-O 3.33Å |
| 205 | I | 49.3 | Very low | 58.3 | Low | 144 Ų | 144 | 58.2 Ų | 58.2 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | trans | -111.7 | 31.6 | -179.7 | -39.1 | 174.8 | 0 | 0 | 0 | 110.2 | ||||
| 206 | H | 56.1 | Low | 58.4 | Low | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | trans | -106.6 | 157.9 | 178.9 | 53.8 | -139.7 | 0 | 0 | 0 | 112 | Y212 V225 E230 Y448 | H206-Y212 AromaticContact ND1-CE2 3.52Å; H206-Y212 AromaticContact ND1-CZ 3.63Å; H206-Y212 PolarHBondContact ND1-OH 3.23Å; H206-V225 HydrophobicContact CB-CG2 4.43Å; H206-V225 VanDerWaalsContact CD2-CG1 3.45Å; H206-V225 WeakPolarHBondContact CD2-CG1 2.94Å; H206-E230 PolarHBondContact CE1-O 2.99Å; H206-E230 PolarHBondContact NE2-O 2.83Å; H206-Y448 VanDerWaalsContact CA-OH 3.24Å; H206-Y448 WeakPolarHBondContact CA-OH 3.18Å; H206-Y448 HydrophobicContact CB-CD2 4.43Å; H206-Y448 HydrophobicContact CB-CE2 3.43Å; H206-Y448 VanDerWaalsContact CB-CE2 3.43Å; H206-Y448 WeakPolarHBondContact CB-OH 3.32Å | ||
| 207 | E | 56.9 | Low | 58.7 | Low | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | trans | -101 | 144.4 | 179.3 | -72.4 | 152.4 | -153.4 | 0 | 0 | 109.8 | G209 S210 Y448 R450 | E207-G209 PolarHBondContact O-N 2.8Å; E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 2.88Å; E207-S210 VanDerWaalsContact O-N 3.12Å; E207-S210 PolarHBondContact O-OG 3.32Å; E207-Y448 PolarHBondContact N-OH 2.85Å; E207-R450 IonicContact OE1-CZ 3.33Å; E207-R450 IonicContact OE1-NE 3.44Å; E207-R450 PolarHBondContact OE1-NE 2.85Å; E207-R450 IonicContact OE1-NH1 2.62Å; E207-R450 IonicContact OE1-NH2 2.74Å; E207-R450 PolarHBondContact OE1-NH2 3.14Å | ||
| 208 | K | 65.6 | Low | 59.4 | Low | 130 Ų | 130 | 46.9 Ų | 46.9 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 130.2 | 176.7 | 171.6 | 177.7 | -179.3 | -169.8 | 0 | 109.7 | I226 E228 N451 | K208-I226 WeakPolarHBondContact CD-O 3.14Å; K208-I226 VanDerWaalsContact CE-O 3.29Å; K208-I226 WeakPolarHBondContact CE-O 3.37Å; K208-I226 WeakPolarHBondContact CG-O 3.49Å; K208-E228 HydrophobicContact CB-CG 3.83Å; K208-E228 VanDerWaalsContact N-CG 3.27Å; K208-E228 PolarHBondContact N-OE1 3.05Å; K208-N451 PolarHBondContact O-ND2 3.13Å; K208-N451 PolarHBondContact O-OD1 2.73Å |
| 209 | G | 63.7 | Low | 59.9 | Low | 14 Ų | 14 | 47.5 Ų | 47.5 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | -16.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E207 R224 V225 N451 | E207-G209 PolarHBondContact O-N 2.8Å; G209-R224 WeakPolarHBondContact O-CG 3.19Å; G209-V225 PolarHBondContact N-O 3.13Å; G209-N451 WeakPolarHBondContact CA-OD1 3.36Å; G209-N451 PolarHBondContact O-OD1 3.39Å |
| 210 | S | 63.8 | Low | 60.6 | Low | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -64.9 | 150.4 | -176.5 | -65 | 0 | 0 | 0 | 0 | 110.7 | E207 R224 V225 Y448 F449 N451 | E207-S210 WeakPolarHBondContact O-CB 3.39Å; E207-S210 PolarHBondContact O-N 2.88Å; E207-S210 VanDerWaalsContact O-N 3.12Å; E207-S210 PolarHBondContact O-OG 3.32Å; S210-R224 CarbonylContact O-C 3.57Å; S210-R224 WeakPolarHBondContact O-CA 3.2Å; S210-V225 WeakPolarHBondContact O-CG2 3Å; S210-V225 PolarHBondContact O-N 2.81Å; S210-Y448 PolarHBondContact OG-OH 3.28Å; S210-F449 CarbonylContact C-O 3.59Å; S210-F449 WeakPolarHBondContact CA-O 3.49Å; S210-F449 VanDerWaalsContact CB-O 3.27Å; S210-F449 WeakPolarHBondContact CB-O 2.85Å; S210-N451 WeakPolarHBondContact CA-OD1 3.23Å; S210-N451 PolarHBondContact N-OD1 2.97Å | ||
| 211 | I | 61.9 | Low | 61.7 | Low | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.6 | -177 | -60.7 | 174.8 | 0 | 0 | 0 | 110 | Y223 P285 F449 V454 | I211-Y223 CarbonylContact C-O 3.37Å; I211-Y223 WeakPolarHBondContact CA-O 3.35Å; I211-P285 HydrophobicContact CD1-CG 3.95Å; I211-P285 HydrophobicContact CG1-CG 4.05Å; I211-P285 HydrophobicContact CG2-CG 4.1Å; I211-F449 HydrophobicContact CB-CB 4.48Å; I211-F449 PolarHBondContact N-O 3.44Å; I211-F449 WeakPolarHBondContact O-CD2 2.75Å; I211-F449 PolarHBondContact O-N 3.17Å; I211-V454 HydrophobicContact CD1-CG2 4.08Å |
| 212 | Y | 67.9 | Low | 62.8 | Low | 23 Ų | 23 | 34.8 Ų | 34.8 | 9% | 0.09 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.9 | 160.5 | -74.6 | -71.6 | 0 | 0 | 0 | 109.5 | H206 S222 Y223 V225 F232 I235 L446 S447 Y448 | H206-Y212 AromaticContact ND1-CE2 3.52Å; H206-Y212 AromaticContact ND1-CZ 3.63Å; H206-Y212 PolarHBondContact ND1-OH 3.23Å; Y212-S222 CarbonylContact O-C 3.59Å; Y212-S222 WeakPolarHBondContact O-CA 3.11Å; Y212-Y223 PolarHBondContact N-O 2.78Å; Y212-Y223 PolarHBondContact O-N 2.93Å; Y212-V225 HydrophobicContact CD2-CG2 3.72Å; Y212-V225 HydrophobicContact CE2-CG2 3.49Å; Y212-V225 VanDerWaalsContact CE2-CG2 3.49Å; Y212-F232 HydrophobicContact CD1-CE2 4.3Å; Y212-F232 HydrophobicContact CE1-CD2 4.18Å; Y212-F232 HydrophobicContact CE1-CE2 4.32Å; Y212-F232 HydrophobicContact CE2-CD2 4.42Å; Y212-I235 HydrophobicContact CD2-CD1 4.08Å; Y212-I235 HydrophobicContact CE2-CD1 3.95Å; Y212-L446 HydrophobicContact CD1-CD1 4.05Å; Y212-L446 HydrophobicContact CD1-CD2 4.34Å; Y212-L446 HydrophobicContact CD1-CG 4.28Å; Y212-L446 HydrophobicContact CE1-CD2 4.48Å; Y212-S447 WeakPolarHBondContact CA-O 3.3Å; Y212-Y448 HydrophobicContact CD1-CD2 4.01Å; Y212-Y448 AromaticContact CE1-CD2 3.49Å; Y212-Y448 HydrophobicContact CE1-CD2 3.49Å; Y212-Y448 VanDerWaalsContact CE1-CD2 3.49Å; Y212-Y448 HydrophobicContact CE1-CE2 4.43Å; Y212-Y448 HydrophobicContact CE1-CG 4.07Å; Y212-Y448 HydrophobicContact CE2-CD2 4.16Å; Y212-Y448 HydrophobicContact CE2-CE2 4.44Å; Y212-Y448 AromaticContact CZ-CD2 3.57Å |
| 213 | L | 62.4 | Low | 64 | Low | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.6 | 171.8 | 175.6 | 71.4 | 0 | 0 | 0 | 108.2 | I220 F221 T267 T283 L446 S447 F449 | L213-I220 HydrophobicContact CD1-CG2 4.13Å; L213-F221 WeakPolarHBondContact CA-O 3.28Å; L213-T267 HydrophobicContact CD1-CG2 4.44Å; L213-T267 HydrophobicContact CD2-CG2 3.82Å; L213-T267 WeakPolarHBondContact CD2-OG1 3.14Å; L213-T283 HydrophobicContact CD1-CG2 3.93Å; L213-L446 CarbonylContact O-C 3.38Å; L213-L446 WeakPolarHBondContact O-CA 3.27Å; L213-S447 PolarHBondContact N-O 2.99Å; L213-S447 PolarHBondContact O-N 2.84Å; L213-F449 HydrophobicContact CB-CD2 4.43Å; L213-F449 HydrophobicContact CB-CE2 3.79Å; L213-F449 HydrophobicContact CD2-CE2 3.98Å; L213-F449 HydrophobicContact CD2-CZ 4.39Å |
| 214 | G | 67.9 | Low | 65.1 | Low | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | -179.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | I220 F221 T445 | G214-I220 CarbonylContact O-C 3.57Å; G214-I220 WeakPolarHBondContact O-CA 3.43Å; G214-F221 PolarHBondContact N-O 2.64Å; G214-F221 WeakPolarHBondContact O-CD1 3.3Å; G214-F221 PolarHBondContact O-N 2.96Å; G214-T445 CarbonylContact C-O 3.27Å; G214-T445 WeakPolarHBondContact CA-O 3.34Å |
| 215 | F | 65.8 | Low | 65.9 | Low | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.8 | 171.3 | 174.2 | -92.6 | 0 | 0 | 0 | 110.3 | Y219 I220 I251 L257 L259 L294 N444 T445 | F215-Y219 CarbonylContact C-O 3.53Å; F215-Y219 VanDerWaalsContact CA-O 3.24Å; F215-Y219 WeakPolarHBondContact CA-O 3.47Å; F215-Y219 WeakPolarHBondContact CD2-O 3.38Å; F215-I220 HydrophobicContact CD2-CG1 4.3Å; F215-I251 HydrophobicContact CE1-CG1 3.94Å; F215-I251 HydrophobicContact CZ-CD1 4.48Å; F215-I251 HydrophobicContact CZ-CG1 3.81Å; F215-L257 HydrophobicContact CB-CD2 3.6Å; F215-L257 HydrophobicContact CD1-CD2 3.82Å; F215-L257 HydrophobicContact CD2-CD2 3.42Å; F215-L257 VanDerWaalsContact CD2-CD2 3.42Å; F215-L257 HydrophobicContact CE1-CD2 4.32Å; F215-L257 HydrophobicContact CE2-CD2 3.98Å; F215-L257 HydrophobicContact CG-CD2 3.31Å; F215-L257 HydrophobicContact CZ-CD2 4.38Å; F215-L259 HydrophobicContact CB-CD1 4.07Å; F215-L294 HydrophobicContact CD2-CD2 4.15Å; F215-L294 HydrophobicContact CE2-CB 4.16Å; F215-L294 HydrophobicContact CE2-CD2 3.59Å; F215-L294 HydrophobicContact CZ-CD2 4.36Å; F215-N444 HydrophobicContact CD1-CB 3.98Å; F215-T445 PolarHBondContact N-O 3.46Å |
| 216 | R | 64.6 | Low | 66.9 | Low | 8 Ų | 8 | 23.1 Ų | 23.1 | 3% | 0.03 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.7 | 177.1 | -171.2 | 175.9 | -177 | 107.2 | 0.5 | 110 | G218 Y219 F221 D240 | R216-G218 PolarHBondContact O-N 2.93Å; R216-Y219 PolarHBondContact N-O 3.47Å; R216-Y219 WeakPolarHBondContact O-CB 3.33Å; R216-Y219 WeakPolarHBondContact O-CD2 3.45Å; R216-Y219 PolarHBondContact O-N 2.86Å; R216-F221 HydrophobicContact CB-CD1 4.19Å; R216-F221 HydrophobicContact CB-CE1 3.96Å; R216-D240 IonicContact CZ-OD1 3.48Å; R216-D240 IonicContact CZ-OD2 3.2Å; R216-D240 IonicContact NE-OD1 3.09Å; R216-D240 PolarHBondContact NE-OD1 3.48Å; R216-D240 IonicContact NE-OD2 2.92Å; R216-D240 PolarHBondContact NE-OD2 3.43Å; R216-D240 IonicContact NH2-OD1 3.48Å; R216-D240 PolarHBondContact NH2-OD1 2.75Å; R216-D240 IonicContact NH2-OD2 2.64Å; R216-D240 PolarHBondContact NH2-OD2 3Å |
| 217 | N | 64.3 | Low | 67.7 | Low | 15 Ų | 15 | 26.7 Ų | 26.7 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.5 | 168.8 | -69.4 | -17.1 | 0 | 0 | 0 | 116.6 | Y219 D240 F245 F246 | N217-Y219 HydrophobicContact CB-CD2 4.16Å; N217-Y219 HydrophobicContact CB-CE2 4.39Å; N217-Y219 VanDerWaalsContact O-CD2 3.31Å; N217-Y219 WeakPolarHBondContact O-CD2 3.3Å; N217-Y219 WeakPolarHBondContact O-CE2 3.47Å; N217-D240 PolarHBondContact ND2-OD1 2.78Å; N217-F245 HydrophobicContact CB-CD2 3.59Å; N217-F245 HydrophobicContact CB-CE2 4.13Å; N217-F245 WeakPolarHBondContact OD1-CD2 3.06Å; N217-F245 WeakPolarHBondContact OD1-CE2 3.43Å; N217-F246 PolarHBondContact O-N 3.07Å |
| 218 | G | 71.2 | Confident | 68.3 | Low | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 6.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R216 G249 L294 | R216-G218 PolarHBondContact O-N 2.93Å; G218-G249 WeakPolarHBondContact CA-O 3.11Å; G218-L294 WeakPolarHBondContact O-CB 3.3Å; G218-L294 PolarHBondContact O-N 2.87Å |
| 219 | Y | 70.2 | Confident | 68.5 | Low | 25 Ų | 25 | 30.9 Ų | 30.9 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.7 | -179.6 | -53.9 | -83.2 | 0 | 0 | 0 | 111.5 | F215 R216 N217 H243 Q244 F246 V291 I292 N293 | F215-Y219 CarbonylContact C-O 3.53Å; F215-Y219 VanDerWaalsContact CA-O 3.24Å; F215-Y219 WeakPolarHBondContact CA-O 3.47Å; F215-Y219 WeakPolarHBondContact CD2-O 3.38Å; R216-Y219 PolarHBondContact N-O 3.47Å; R216-Y219 WeakPolarHBondContact O-CB 3.33Å; R216-Y219 WeakPolarHBondContact O-CD2 3.45Å; R216-Y219 PolarHBondContact O-N 2.86Å; N217-Y219 HydrophobicContact CB-CD2 4.16Å; N217-Y219 HydrophobicContact CB-CE2 4.39Å; N217-Y219 VanDerWaalsContact O-CD2 3.31Å; N217-Y219 WeakPolarHBondContact O-CD2 3.3Å; N217-Y219 WeakPolarHBondContact O-CE2 3.47Å; Y219-H243 HydrophobicContact CE2-CB 4.19Å; Y219-Q244 WeakPolarHBondContact CE2-O 3.42Å; Y219-Q244 PolarHBondContact OH-O 2.85Å; Y219-F246 HydrophobicContact CD1-CB 4.48Å; Y219-F246 HydrophobicContact CD2-CB 4.42Å; Y219-F246 HydrophobicContact CE1-CB 3.82Å; Y219-F246 HydrophobicContact CE1-CG 4.37Å; Y219-F246 HydrophobicContact CE2-CB 3.74Å; Y219-F246 VanDerWaalsContact CZ-CB 3.41Å; Y219-F246 WeakPolarHBondContact OH-CB 3.46Å; Y219-V291 HydrophobicContact CD1-CG1 3.68Å; Y219-V291 HydrophobicContact CG-CG1 3.81Å; Y219-I292 CarbonylContact C-O 3.52Å; Y219-I292 WeakPolarHBondContact CA-O 3.32Å; Y219-N293 HydrophobicContact CD1-CB 4.42Å; Y219-N293 WeakPolarHBondContact CD1-OD1 3.46Å; Y219-N293 HydrophobicContact CE1-CB 4.49Å; Y219-N293 WeakPolarHBondContact CE1-OD1 3.4Å |
| 220 | I | 75.7 | Confident | 68.6 | Low | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.4 | 157.4 | -60.2 | 171.9 | 0 | 0 | 0 | 106.5 | L213 G214 F215 L259 A269 F281 T283 V291 I292 L294 | L213-I220 HydrophobicContact CD1-CG2 4.13Å; G214-I220 CarbonylContact O-C 3.57Å; G214-I220 WeakPolarHBondContact O-CA 3.43Å; F215-I220 HydrophobicContact CD2-CG1 4.3Å; I220-L259 HydrophobicContact CD1-CD2 3.88Å; I220-L259 HydrophobicContact CG1-CD2 4.15Å; I220-A269 HydrophobicContact CD1-CB 3.76Å; I220-F281 HydrophobicContact CD1-CD2 3.62Å; I220-F281 HydrophobicContact CD1-CE2 3.83Å; I220-F281 HydrophobicContact CD1-CG 4.26Å; I220-T283 HydrophobicContact CG2-CG2 3.86Å; I220-V291 CarbonylContact O-C 3.58Å; I220-V291 WeakPolarHBondContact O-CA 3.48Å; I220-I292 HydrophobicContact CB-CB 4.46Å; I220-I292 PolarHBondContact N-O 2.72Å; I220-I292 PolarHBondContact O-N 2.8Å; I220-L294 HydrophobicContact CD1-CD1 4Å |
| 221 | F | 72.1 | Confident | 68.6 | Low | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150 | 175.1 | 72.2 | -89.4 | 0 | 0 | 0 | 110.9 | L213 G214 R216 L236 L239 K290 V291 L446 | L213-F221 WeakPolarHBondContact CA-O 3.28Å; G214-F221 PolarHBondContact N-O 2.64Å; G214-F221 WeakPolarHBondContact O-CD1 3.3Å; G214-F221 PolarHBondContact O-N 2.96Å; R216-F221 HydrophobicContact CB-CD1 4.19Å; R216-F221 HydrophobicContact CB-CE1 3.96Å; F221-L236 HydrophobicContact CZ-CD2 4.23Å; F221-L239 HydrophobicContact CB-CD2 3.98Å; F221-L239 HydrophobicContact CD1-CD1 4.29Å; F221-L239 HydrophobicContact CD2-CD1 3.52Å; F221-L239 HydrophobicContact CD2-CD2 4.34Å; F221-L239 HydrophobicContact CE1-CD1 4.34Å; F221-L239 HydrophobicContact CE2-CD1 3.58Å; F221-L239 HydrophobicContact CG-CD1 3.89Å; F221-L239 HydrophobicContact CG-CD2 4.12Å; F221-L239 HydrophobicContact CZ-CD1 4Å; F221-K290 CarbonylContact C-O 3.46Å; F221-K290 VanDerWaalsContact CA-O 3.26Å; F221-K290 WeakPolarHBondContact CA-O 3.16Å; F221-V291 HydrophobicContact CB-CG2 4.25Å; F221-L446 HydrophobicContact CE2-CD1 4.29Å; F221-L446 HydrophobicContact CZ-CD1 3.88Å |
| 222 | S | 72.6 | Confident | 68.7 | Low | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.5 | 163.5 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | Y212 T283 I289 K290 | Y212-S222 CarbonylContact O-C 3.59Å; Y212-S222 WeakPolarHBondContact O-CA 3.11Å; S222-T283 WeakPolarHBondContact CB-O 3.49Å; S222-T283 PolarHBondContact OG-O 2.93Å; S222-I289 CarbonylContact O-C 3.52Å; S222-I289 WeakPolarHBondContact O-CA 3.12Å; S222-I289 WeakPolarHBondContact O-CG1 3.33Å; S222-K290 PolarHBondContact N-O 2.75Å; S222-K290 PolarHBondContact O-N 2.95Å |
| 223 | Y | 70.8 | Confident | 68.4 | Low | 22 Ų | 22 | 33 Ų | 33 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 129.3 | -177.1 | -177.7 | -104.2 | 0 | 0 | 0 | 110.3 | I211 Y212 I226 E230 I235 I289 | I211-Y223 CarbonylContact C-O 3.37Å; I211-Y223 WeakPolarHBondContact CA-O 3.35Å; Y212-Y223 PolarHBondContact N-O 2.78Å; Y212-Y223 PolarHBondContact O-N 2.93Å; Y223-I226 WeakPolarHBondContact OH-CD1 3.21Å; Y223-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y223-E230 PolarHBondContact OH-OE1 3.39Å; Y223-E230 PolarHBondContact OH-OE2 2.8Å; Y223-I235 HydrophobicContact CD1-CB 4.44Å; Y223-I235 HydrophobicContact CD1-CD1 3.79Å; Y223-I235 HydrophobicContact CD1-CG1 4.02Å; Y223-I235 HydrophobicContact CD1-CG2 3.54Å; Y223-I235 HydrophobicContact CD2-CG2 4.34Å; Y223-I235 HydrophobicContact CE1-CB 4.45Å; Y223-I235 HydrophobicContact CE1-CD1 3.66Å; Y223-I235 HydrophobicContact CE1-CG1 3.67Å; Y223-I235 HydrophobicContact CE1-CG2 3.95Å; Y223-I235 HydrophobicContact CG-CG2 3.74Å; Y223-I289 HydrophobicContact CD2-CB 3.91Å; Y223-I289 HydrophobicContact CD2-CD1 4Å; Y223-I289 HydrophobicContact CD2-CG1 3.95Å |
| 224 | R | 73.2 | Confident | 68.5 | Low | 59 Ų | 59 | 35.9 Ų | 35.9 | 22% | 0.223 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.2 | 170.8 | 178.1 | 172.8 | -72.6 | -163.9 | -1.6 | 109.4 | G209 S210 I226 P285 R286 G288 | G209-R224 WeakPolarHBondContact O-CG 3.19Å; S210-R224 CarbonylContact O-C 3.57Å; S210-R224 WeakPolarHBondContact O-CA 3.2Å; R224-I226 WeakPolarHBondContact O-CG1 3.36Å; R224-I226 PolarHBondContact O-N 3.46Å; R224-P285 HydrophobicContact CB-CB 4.43Å; R224-P285 HydrophobicContact CB-CG 4.1Å; R224-R286 VanDerWaalsContact CD-O 3.25Å; R224-R286 WeakPolarHBondContact CD-O 3.49Å; R224-R286 PolarHBondContact NE-O 3.2Å; R224-G288 PolarHBondContact N-O 2.64Å |
| 225 | V | 68.6 | Low | 68.3 | Low | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -58.2 | 120.6 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | H206 G209 S210 Y212 N227 | H206-V225 HydrophobicContact CB-CG2 4.43Å; H206-V225 VanDerWaalsContact CD2-CG1 3.45Å; H206-V225 WeakPolarHBondContact CD2-CG1 2.94Å; G209-V225 PolarHBondContact N-O 3.13Å; S210-V225 WeakPolarHBondContact O-CG2 3Å; S210-V225 PolarHBondContact O-N 2.81Å; Y212-V225 HydrophobicContact CD2-CG2 3.72Å; Y212-V225 HydrophobicContact CE2-CG2 3.49Å; Y212-V225 VanDerWaalsContact CE2-CG2 3.49Å; V225-N227 WeakPolarHBondContact CG1-O 3.29Å | ||
| 226 | I | 70.3 | Confident | 68.2 | Low | 96 Ų | 96 | 35.8 Ų | 35.8 | 49% | 0.492 | 17% | 0.168 | S | C | . | . | trans | -91.2 | -30 | -176.5 | -56.5 | 177.8 | 0 | 0 | 0 | 110.4 | K208 Y223 R224 E230 | K208-I226 WeakPolarHBondContact CD-O 3.14Å; K208-I226 VanDerWaalsContact CE-O 3.29Å; K208-I226 WeakPolarHBondContact CE-O 3.37Å; K208-I226 WeakPolarHBondContact CG-O 3.49Å; Y223-I226 WeakPolarHBondContact OH-CD1 3.21Å; R224-I226 WeakPolarHBondContact O-CG1 3.36Å; R224-I226 PolarHBondContact O-N 3.46Å; I226-E230 PolarHBondContact N-OE2 2.83Å | ||
| 227 | N | 72.3 | Confident | 68.2 | Low | 83 Ų | 83 | 36.1 Ų | 36.1 | 44% | 0.444 | 17% | 0.17 | S | C | . | . | trans | -143.4 | 133.5 | -176 | -174.3 | -13.1 | 0 | 0 | 0 | 110.1 | V225 K229 E230 | V225-N227 WeakPolarHBondContact CG1-O 3.29Å; N227-K229 PolarHBondContact O-N 3.13Å; N227-K229 VanDerWaalsContact O-N 3.07Å; N227-K229 PolarHBondContact OD1-N 3.2Å; N227-E230 HydrophobicContact CB-CB 4.35Å; N227-E230 WeakPolarHBondContact O-CB 3.47Å; N227-E230 PolarHBondContact O-N 3.47Å | ||
| 228 | E | 69.3 | Low | 68.2 | Low | 108 Ų | 108 | 38.5 Ų | 38.5 | 51% | 0.505 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11 | 176.9 | -63.8 | 176.6 | 179 | 0 | 0 | 113.8 | P204 K208 | P204-E228 WeakPolarHBondContact CG-O 3.34Å; K208-E228 HydrophobicContact CB-CG 3.83Å; K208-E228 VanDerWaalsContact N-CG 3.27Å; K208-E228 PolarHBondContact N-OE1 3.05Å |
| 229 | K | 70.7 | Confident | 67.7 | Low | 168 Ų | 168 | 38.9 Ų | 38.9 | 73% | 0.73 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7.9 | 174.9 | -60.2 | -175.4 | 179.8 | -178.8 | 0 | 113.3 | N227 K231 | N227-K229 PolarHBondContact O-N 3.13Å; N227-K229 VanDerWaalsContact O-N 3.07Å; N227-K229 PolarHBondContact OD1-N 3.2Å; K229-K231 PolarHBondContact O-N 3.26Å |
| 230 | E | 64.6 | Low | 67.3 | Low | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | trans | -68 | 119.7 | -176.4 | -172.5 | 175.6 | -169.7 | 0 | 0 | 110 | P204 H206 Y223 I226 N227 I235 | P204-E230 WeakPolarHBondContact CG-O 3.33Å; H206-E230 PolarHBondContact CE1-O 2.99Å; H206-E230 PolarHBondContact NE2-O 2.83Å; Y223-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y223-E230 PolarHBondContact OH-OE1 3.39Å; Y223-E230 PolarHBondContact OH-OE2 2.8Å; I226-E230 PolarHBondContact N-OE2 2.83Å; N227-E230 HydrophobicContact CB-CB 4.35Å; N227-E230 WeakPolarHBondContact O-CB 3.47Å; N227-E230 PolarHBondContact O-N 3.47Å; E230-I235 HydrophobicContact CG-CD1 4.25Å; E230-I235 HydrophobicContact CG-CG1 3.86Å | ||
| 231 | K | 64.8 | Low | 66.5 | Low | 26 Ų | 26 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | trans | -77 | 146.5 | -175 | -60 | -167.7 | 177.2 | -163.7 | 0 | 110.4 | H198 E201 K229 S233 E234 I235 | H198-K231 HydrophobicContact CB-CD 4.26Å; H198-K231 WeakPolarHBondContact O-CD 3.47Å; H198-K231 WeakPolarHBondContact O-CE 3.45Å; H198-K231 PolarHBondContact O-NZ 2.74Å; E201-K231 HydrophobicContact CB-CD 4.19Å; E201-K231 PolarHBondContact O-NZ 3.06Å; E201-K231 WeakPolarHBondContact OE2-CB 3.33Å; K229-K231 PolarHBondContact O-N 3.26Å; K231-S233 PolarHBondContact O-N 3.03Å; K231-E234 HydrophobicContact CB-CB 4.48Å; K231-E234 HydrophobicContact CB-CG 3.93Å; K231-E234 PolarHBondContact N-OE2 2.64Å; K231-E234 VanDerWaalsContact O-CB 3.31Å; K231-E234 WeakPolarHBondContact O-CB 3.45Å; K231-E234 PolarHBondContact O-N 2.77Å; K231-I235 PolarHBondContact O-N 3.39Å | ||
| 232 | F | 64.1 | Low | 65.9 | Low | 12 Ų | 12 | 47.1 Ų | 47.1 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -35 | -178.9 | 176.9 | -106.6 | 0 | 0 | 0 | 112 | E201 Y212 E234 I235 L236 Y439 L446 | E201-F232 VanDerWaalsContact OE1-CB 3.24Å; E201-F232 WeakPolarHBondContact OE1-CB 3.38Å; E201-F232 PolarHBondContact OE1-N 2.98Å; E201-F232 PolarHBondContact OE2-N 3.31Å; Y212-F232 HydrophobicContact CD1-CE2 4.3Å; Y212-F232 HydrophobicContact CE1-CD2 4.18Å; Y212-F232 HydrophobicContact CE1-CE2 4.32Å; Y212-F232 HydrophobicContact CE2-CD2 4.42Å; F232-E234 VanDerWaalsContact C-N 3.27Å; F232-E234 PolarHBondContact O-N 2.98Å; F232-I235 PolarHBondContact O-N 2.9Å; F232-L236 HydrophobicContact CD1-CD1 3.97Å; F232-L236 HydrophobicContact CD1-CG 4.3Å; F232-L236 HydrophobicContact CE1-CD1 3.18Å; F232-L236 HydrophobicContact CE1-CD2 4.37Å; F232-L236 HydrophobicContact CE1-CG 3.68Å; F232-L236 HydrophobicContact CE2-CD1 4.44Å; F232-L236 HydrophobicContact CE2-CD2 4.25Å; F232-L236 HydrophobicContact CE2-CG 4.08Å; F232-L236 HydrophobicContact CZ-CD1 3.45Å; F232-L236 VanDerWaalsContact CZ-CD1 3.45Å; F232-L236 HydrophobicContact CZ-CD2 3.76Å; F232-L236 HydrophobicContact CZ-CG 3.53Å; F232-L236 PolarHBondContact O-N 3.42Å; F232-Y439 AromaticContact CD1-CE2 3.72Å; F232-Y439 HydrophobicContact CD1-CE2 3.72Å; F232-Y439 AromaticContact CD1-CZ 3.79Å; F232-Y439 AromaticContact CE1-CD2 3.7Å; F232-Y439 HydrophobicContact CE1-CD2 3.7Å; F232-Y439 AromaticContact CE1-CE2 3.26Å; F232-Y439 HydrophobicContact CE1-CE2 3.26Å; F232-Y439 AromaticContact CE1-CZ 3.77Å; F232-Y439 HydrophobicContact CZ-CD2 4.46Å; F232-Y439 HydrophobicContact CZ-CE2 4.23Å; F232-L446 HydrophobicContact CD2-CD2 4.42Å; F232-L446 HydrophobicContact CE1-CD2 4.04Å; F232-L446 HydrophobicContact CE2-CD1 3.9Å; F232-L446 HydrophobicContact CE2-CD2 3.47Å; F232-L446 VanDerWaalsContact CE2-CD2 3.47Å; F232-L446 HydrophobicContact CE2-CG 4.32Å; F232-L446 HydrophobicContact CZ-CD1 3.99Å; F232-L446 HydrophobicContact CZ-CD2 3.23Å; F232-L446 HydrophobicContact CZ-CG 4.23Å |
| 233 | S | 61.3 | Low | 65.2 | Low | 22 Ų | 22 | 49.9 Ų | 49.9 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -32.1 | 172.1 | 57.3 | 0 | 0 | 0 | 0 | 113 | H198 E201 K231 F237 | H198-S233 VanDerWaalsContact CE1-C 3.48Å; H198-S233 PolarHBondContact CE1-O 3.36Å; H198-S233 WeakPolarHBondContact ND1-CB 3.47Å; H198-S233 PolarHBondContact ND1-OG 3.44Å; E201-S233 WeakPolarHBondContact OE2-CA 3.3Å; E201-S233 WeakPolarHBondContact OE2-CB 3.5Å; E201-S233 PolarHBondContact OE2-N 3.01Å; E201-S233 PolarHBondContact OE2-OG 3.14Å; K231-S233 PolarHBondContact O-N 3.03Å; S233-F237 WeakPolarHBondContact O-CB 3.21Å; S233-F237 PolarHBondContact O-N 3.14Å |
| 234 | E | 63.5 | Low | 64.7 | Low | 64 Ų | 64 | 57 Ų | 57 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 175.4 | -65.7 | 168.2 | 170.6 | 0 | 0 | 110.8 | H198 K231 F232 F237 S238 | H198-E234 HydrophobicContact CB-CG 4.08Å; H198-E234 PolarHBondContact CE1-N 2.83Å; H198-E234 VanDerWaalsContact CG-CG 3.48Å; H198-E234 WeakPolarHBondContact ND1-CG 3.5Å; H198-E234 PolarHBondContact ND1-N 3.33Å; K231-E234 HydrophobicContact CB-CB 4.48Å; K231-E234 HydrophobicContact CB-CG 3.93Å; K231-E234 PolarHBondContact N-OE2 2.64Å; K231-E234 VanDerWaalsContact O-CB 3.31Å; K231-E234 WeakPolarHBondContact O-CB 3.45Å; K231-E234 PolarHBondContact O-N 2.77Å; F232-E234 VanDerWaalsContact C-N 3.27Å; F232-E234 PolarHBondContact O-N 2.98Å; E234-F237 PolarHBondContact O-N 2.7Å; E234-S238 WeakPolarHBondContact O-CB 3.27Å; E234-S238 PolarHBondContact O-N 2.79Å; E234-S238 PolarHBondContact O-OG 3.46Å |
| 235 | I | 65.5 | Low | 64.1 | Low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 176 | -59.1 | 170 | 0 | 0 | 0 | 110.1 | Y212 Y223 E230 K231 F232 S238 L239 | Y212-I235 HydrophobicContact CD2-CD1 4.08Å; Y212-I235 HydrophobicContact CE2-CD1 3.95Å; Y223-I235 HydrophobicContact CD1-CB 4.44Å; Y223-I235 HydrophobicContact CD1-CD1 3.79Å; Y223-I235 HydrophobicContact CD1-CG1 4.02Å; Y223-I235 HydrophobicContact CD1-CG2 3.54Å; Y223-I235 HydrophobicContact CD2-CG2 4.34Å; Y223-I235 HydrophobicContact CE1-CB 4.45Å; Y223-I235 HydrophobicContact CE1-CD1 3.66Å; Y223-I235 HydrophobicContact CE1-CG1 3.67Å; Y223-I235 HydrophobicContact CE1-CG2 3.95Å; Y223-I235 HydrophobicContact CG-CG2 3.74Å; E230-I235 HydrophobicContact CG-CD1 4.25Å; E230-I235 HydrophobicContact CG-CG1 3.86Å; K231-I235 PolarHBondContact O-N 3.39Å; F232-I235 PolarHBondContact O-N 2.9Å; I235-S238 PolarHBondContact O-N 2.78Å; I235-L239 HydrophobicContact CG2-CD1 4.44Å; I235-L239 PolarHBondContact O-N 3.36Å; I235-L239 VanDerWaalsContact O-N 3.09Å |
| 236 | L | 63.5 | Low | 63.8 | Low | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 178.3 | -72.3 | -173.3 | 0 | 0 | 0 | 113.1 | F221 F232 S238 L239 D240 V443 | F221-L236 HydrophobicContact CZ-CD2 4.23Å; F232-L236 HydrophobicContact CD1-CD1 3.97Å; F232-L236 HydrophobicContact CD1-CG 4.3Å; F232-L236 HydrophobicContact CE1-CD1 3.18Å; F232-L236 HydrophobicContact CE1-CD2 4.37Å; F232-L236 HydrophobicContact CE1-CG 3.68Å; F232-L236 HydrophobicContact CE2-CD1 4.44Å; F232-L236 HydrophobicContact CE2-CD2 4.25Å; F232-L236 HydrophobicContact CE2-CG 4.08Å; F232-L236 HydrophobicContact CZ-CD1 3.45Å; F232-L236 VanDerWaalsContact CZ-CD1 3.45Å; F232-L236 HydrophobicContact CZ-CD2 3.76Å; F232-L236 HydrophobicContact CZ-CG 3.53Å; F232-L236 PolarHBondContact O-N 3.42Å; L236-S238 VanDerWaalsContact C-N 3.34Å; L236-L239 HydrophobicContact CD2-CD1 4.16Å; L236-L239 WeakPolarHBondContact O-CB 3.16Å; L236-L239 PolarHBondContact O-N 2.55Å; L236-D240 PolarHBondContact O-N 2.78Å; L236-V443 HydrophobicContact CD1-CG2 4.48Å |
| 237 | F | 63.6 | Low | 63.5 | Low | 14 Ų | 14 | 62.8 Ų | 62.8 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.4 | -177.9 | -113.5 | 0 | 0 | 0 | 111.4 | F178 G193 S233 E234 L239 D240 L241 | F178-F237 HydrophobicContact CB-CD2 4.33Å; F178-F237 HydrophobicContact CB-CE2 4.41Å; F178-F237 AromaticContact CD1-CD2 3.33Å; F178-F237 HydrophobicContact CD1-CD2 3.33Å; F178-F237 AromaticContact CD1-CE2 3.6Å; F178-F237 HydrophobicContact CD1-CE2 3.6Å; F178-F237 HydrophobicContact CD1-CG 4.48Å; F178-F237 AromaticContact CD2-CD2 3.82Å; F178-F237 HydrophobicContact CD2-CD2 3.82Å; F178-F237 HydrophobicContact CE1-CB 4.33Å; F178-F237 AromaticContact CE1-CD2 3.37Å; F178-F237 HydrophobicContact CE1-CD2 3.37Å; F178-F237 AromaticContact CE1-CE2 3.94Å; F178-F237 HydrophobicContact CE1-CE2 3.94Å; F178-F237 HydrophobicContact CE1-CG 4.16Å; F178-F237 HydrophobicContact CE2-CB 3.89Å; F178-F237 AromaticContact CE2-CD2 3.85Å; F178-F237 HydrophobicContact CE2-CD2 3.85Å; F178-F237 HydrophobicContact CE2-CG 4.38Å; F178-F237 AromaticContact CG-CD2 3.55Å; F178-F237 HydrophobicContact CG-CD2 3.55Å; F178-F237 AromaticContact CG-CE2 3.99Å; F178-F237 HydrophobicContact CG-CE2 3.99Å; F178-F237 HydrophobicContact CZ-CB 3.77Å; F178-F237 AromaticContact CZ-CD2 3.63Å; F178-F237 HydrophobicContact CZ-CD2 3.63Å; F178-F237 HydrophobicContact CZ-CG 4.1Å; G193-F237 VanDerWaalsContact C-CE1 3.42Å; G193-F237 WeakPolarHBondContact O-CE1 3.04Å; S233-F237 WeakPolarHBondContact O-CB 3.21Å; S233-F237 PolarHBondContact O-N 3.14Å; E234-F237 PolarHBondContact O-N 2.7Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 2.83Å; F237-D240 PolarHBondContact O-N 2.99Å; F237-L241 HydrophobicContact CD1-CD1 3.85Å; F237-L241 HydrophobicContact CD1-CG 4.43Å; F237-L241 HydrophobicContact CE1-CD1 3.39Å; F237-L241 HydrophobicContact CE1-CG 4.12Å; F237-L241 HydrophobicContact CE2-CD1 4.5Å; F237-L241 HydrophobicContact CE2-CG 4.39Å; F237-L241 HydrophobicContact CZ-CD1 3.78Å; F237-L241 HydrophobicContact CZ-CD2 4.26Å; F237-L241 HydrophobicContact CZ-CG 4.11Å; F237-L241 WeakPolarHBondContact O-CG 3.35Å; F237-L241 PolarHBondContact O-N 3.02Å |
| 238 | S | 63.6 | Low | 63.1 | Low | 65 Ų | 65 | 65.1 Ų | 65.1 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | E234 I235 L236 S242 | E234-S238 WeakPolarHBondContact O-CB 3.27Å; E234-S238 PolarHBondContact O-N 2.79Å; E234-S238 PolarHBondContact O-OG 3.46Å; I235-S238 PolarHBondContact O-N 2.78Å; L236-S238 VanDerWaalsContact C-N 3.34Å; S238-S242 WeakPolarHBondContact O-CB 3.48Å; S238-S242 PolarHBondContact O-N 3.2Å; S238-S242 PolarHBondContact O-OG 3.13Å |
| 239 | L | 62.2 | Low | 62.8 | Low | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 172.7 | -87.4 | 162.5 | 0 | 0 | 0 | 112.4 | F221 I235 L236 F237 S242 H243 I289 V291 | F221-L239 HydrophobicContact CB-CD2 3.98Å; F221-L239 HydrophobicContact CD1-CD1 4.29Å; F221-L239 HydrophobicContact CD2-CD1 3.52Å; F221-L239 HydrophobicContact CD2-CD2 4.34Å; F221-L239 HydrophobicContact CE1-CD1 4.34Å; F221-L239 HydrophobicContact CE2-CD1 3.58Å; F221-L239 HydrophobicContact CG-CD1 3.89Å; F221-L239 HydrophobicContact CG-CD2 4.12Å; F221-L239 HydrophobicContact CZ-CD1 4Å; I235-L239 HydrophobicContact CG2-CD1 4.44Å; I235-L239 PolarHBondContact O-N 3.36Å; I235-L239 VanDerWaalsContact O-N 3.09Å; L236-L239 HydrophobicContact CD2-CD1 4.16Å; L236-L239 WeakPolarHBondContact O-CB 3.16Å; L236-L239 PolarHBondContact O-N 2.55Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 2.83Å; L239-S242 PolarHBondContact O-N 2.84Å; L239-S242 PolarHBondContact O-OG 3.47Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; L239-H243 PolarHBondContact O-N 2.87Å; L239-I289 HydrophobicContact CD1-CD1 4.3Å; L239-I289 HydrophobicContact CD2-CD1 3.24Å; L239-I289 HydrophobicContact CD2-CG1 4.24Å; L239-I289 HydrophobicContact CG-CD1 3.58Å; L239-V291 HydrophobicContact CD2-CG2 4.13Å |
| 240 | D | 61.1 | Low | 62.7 | Low | 29 Ų | 29 | 57.1 Ų | 57.1 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | -179.9 | -76.6 | -17.8 | 0 | 0 | 0 | 113 | F178 R216 N217 L236 F237 S242 | F178-D240 WeakPolarHBondContact CD2-OD2 3.33Å; R216-D240 IonicContact CZ-OD1 3.48Å; R216-D240 IonicContact CZ-OD2 3.2Å; R216-D240 IonicContact NE-OD1 3.09Å; R216-D240 PolarHBondContact NE-OD1 3.48Å; R216-D240 IonicContact NE-OD2 2.92Å; R216-D240 PolarHBondContact NE-OD2 3.43Å; R216-D240 IonicContact NH2-OD1 3.48Å; R216-D240 PolarHBondContact NH2-OD1 2.75Å; R216-D240 IonicContact NH2-OD2 2.64Å; R216-D240 PolarHBondContact NH2-OD2 3Å; N217-D240 PolarHBondContact ND2-OD1 2.78Å; L236-D240 PolarHBondContact O-N 2.78Å; F237-D240 PolarHBondContact O-N 2.99Å; D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 2.92Å |
| 241 | L | 59.4 | Low | 62.9 | Low | 104 Ų | 104 | 57 Ų | 57 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 175.2 | -74.7 | 179.5 | 0 | 0 | 0 | 112.7 | F237 | F237-L241 HydrophobicContact CD1-CD1 3.85Å; F237-L241 HydrophobicContact CD1-CG 4.43Å; F237-L241 HydrophobicContact CE1-CD1 3.39Å; F237-L241 HydrophobicContact CE1-CG 4.12Å; F237-L241 HydrophobicContact CE2-CD1 4.5Å; F237-L241 HydrophobicContact CE2-CG 4.39Å; F237-L241 HydrophobicContact CZ-CD1 3.78Å; F237-L241 HydrophobicContact CZ-CD2 4.26Å; F237-L241 HydrophobicContact CZ-CG 4.11Å; F237-L241 WeakPolarHBondContact O-CG 3.35Å; F237-L241 PolarHBondContact O-N 3.02Å |
| 242 | S | 58.3 | Low | 63.1 | Low | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -86.2 | -24.6 | -173.7 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | S238 L239 D240 | S238-S242 WeakPolarHBondContact O-CB 3.48Å; S238-S242 PolarHBondContact O-N 3.2Å; S238-S242 PolarHBondContact O-OG 3.13Å; L239-S242 PolarHBondContact O-N 2.84Å; L239-S242 PolarHBondContact O-OG 3.47Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 2.92Å |
| 243 | H | 58.4 | Low | 63.3 | Low | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.269 | 34% | 0.337 | S | S | . | . | trans | -130.6 | 114.4 | -171.7 | -64.7 | 72.5 | 0 | 0 | 0 | 112.2 | Y219 L239 | Y219-H243 HydrophobicContact CE2-CB 4.19Å; L239-H243 PolarHBondContact O-N 2.87Å | ||
| 244 | Q | 60.9 | Low | 64 | Low | 173 Ų | 173 | 71.3 Ų | 71.3 | 81% | 0.808 | 36% | 0.361 | S | S | * | . | trans | -66.5 | 153.9 | 170.7 | -68.9 | -173.2 | 0.6 | 0 | 0 | 111.1 | Y219 F246 | Y219-Q244 WeakPolarHBondContact CE2-O 3.42Å; Y219-Q244 PolarHBondContact OH-O 2.85Å; Q244-F246 PolarHBondContact O-N 3.32Å | ||
| 245 | F | 59.9 | Low | 64.6 | Low | 83 Ų | 83 | 69.7 Ų | 69.7 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -59.2 | 124 | -178 | -170.6 | -112.2 | 0 | 0 | 0 | 115.2 | N217 K247 K250 | N217-F245 HydrophobicContact CB-CD2 3.59Å; N217-F245 HydrophobicContact CB-CE2 4.13Å; N217-F245 WeakPolarHBondContact OD1-CD2 3.06Å; N217-F245 WeakPolarHBondContact OD1-CE2 3.43Å; F245-K247 HydrophobicContact CD1-CG 3.86Å; F245-K247 HydrophobicContact CE1-CG 4.18Å; F245-K247 PolarHBondContact O-N 3.09Å; F245-K250 HydrophobicContact CE1-CD 4.26Å; F245-K250 HydrophobicContact CZ-CD 4.19Å; F245-K250 HydrophobicContact CZ-CG 4.36Å | ||
| 246 | F | 63.3 | Low | 64.8 | Low | 35 Ų | 35 | 70.2 Ų | 70.2 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | trans | -91 | 89.5 | 179.3 | -170.6 | -120.3 | 0 | 0 | 0 | 112 | N217 Y219 Q244 N248 G249 N293 K295 | N217-F246 PolarHBondContact O-N 3.07Å; Y219-F246 HydrophobicContact CD1-CB 4.48Å; Y219-F246 HydrophobicContact CD2-CB 4.42Å; Y219-F246 HydrophobicContact CE1-CB 3.82Å; Y219-F246 HydrophobicContact CE1-CG 4.37Å; Y219-F246 HydrophobicContact CE2-CB 3.74Å; Y219-F246 VanDerWaalsContact CZ-CB 3.41Å; Y219-F246 WeakPolarHBondContact OH-CB 3.46Å; Q244-F246 PolarHBondContact O-N 3.32Å; F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 HydrophobicContact CE1-CB 4Å; F246-N248 HydrophobicContact CE2-CB 4.31Å; F246-N248 HydrophobicContact CZ-CB 3.81Å; F246-N248 PolarHBondContact O-N 2.55Å; F246-N248 VanDerWaalsContact O-N 3.16Å; F246-G249 VanDerWaalsContact CD1-N 3.29Å; F246-G249 PolarHBondContact O-N 2.68Å; F246-G249 VanDerWaalsContact O-N 3.07Å; F246-N293 HydrophobicContact CD1-CB 4.12Å; F246-N293 HydrophobicContact CE1-CB 3.96Å; F246-N293 HydrophobicContact CZ-CB 4.3Å; F246-K295 HydrophobicContact CE1-CG 3.69Å; F246-K295 HydrophobicContact CZ-CD 4.31Å; F246-K295 HydrophobicContact CZ-CG 3.76Å | ||
| 247 | K | 63.7 | Low | 65.1 | Low | 159 Ų | 159 | 70.3 Ų | 70.3 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -52.8 | -39.2 | -176.8 | -70.1 | -175.4 | -179 | 179.1 | 0 | 113.8 | F245 G249 K250 | F245-K247 HydrophobicContact CD1-CG 3.86Å; F245-K247 HydrophobicContact CE1-CG 4.18Å; F245-K247 PolarHBondContact O-N 3.09Å; K247-G249 VanDerWaalsContact C-N 3.27Å; K247-G249 PolarHBondContact O-N 3.1Å; K247-K250 WeakPolarHBondContact O-CG 3.38Å; K247-K250 PolarHBondContact O-N 3.44Å |
| 248 | N | 64.2 | Low | 65.5 | Low | 132 Ų | 132 | 69.7 Ų | 69.7 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -73.9 | -15.3 | -176.1 | -67.6 | -4.2 | 0 | 0 | 0 | 113.8 | F246 | F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 HydrophobicContact CE1-CB 4Å; F246-N248 HydrophobicContact CE2-CB 4.31Å; F246-N248 HydrophobicContact CZ-CB 3.81Å; F246-N248 PolarHBondContact O-N 2.55Å; F246-N248 VanDerWaalsContact O-N 3.16Å |
| 249 | G | 62 | Low | 65.5 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -100.2 | 9.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G218 F246 K247 I251 L294 | G218-G249 WeakPolarHBondContact CA-O 3.11Å; F246-G249 VanDerWaalsContact CD1-N 3.29Å; F246-G249 PolarHBondContact O-N 2.68Å; F246-G249 VanDerWaalsContact O-N 3.07Å; K247-G249 VanDerWaalsContact C-N 3.27Å; K247-G249 PolarHBondContact O-N 3.1Å; G249-I251 PolarHBondContact O-N 3.43Å; G249-L294 WeakPolarHBondContact CA-O 3.49Å |
| 250 | K | 68.3 | Low | 65.7 | Low | 105 Ų | 105 | 66.2 Ų | 66.2 | 46% | 0.457 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 135 | 175.6 | -74.3 | -171.9 | -180 | -156.3 | 0 | 111.6 | F245 K247 | F245-K250 HydrophobicContact CE1-CD 4.26Å; F245-K250 HydrophobicContact CZ-CD 4.19Å; F245-K250 HydrophobicContact CZ-CG 4.36Å; K247-K250 WeakPolarHBondContact O-CG 3.38Å; K247-K250 PolarHBondContact O-N 3.44Å |
| 251 | I | 70.6 | Confident | 65.8 | Low | 29 Ų | 29 | 65.7 Ų | 65.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 130.3 | 162.5 | -54.6 | -63.6 | 0 | 0 | 0 | 107.6 | F215 G249 E255 L257 I271 L294 | F215-I251 HydrophobicContact CE1-CG1 3.94Å; F215-I251 HydrophobicContact CZ-CD1 4.48Å; F215-I251 HydrophobicContact CZ-CG1 3.81Å; G249-I251 PolarHBondContact O-N 3.43Å; I251-E255 HydrophobicContact CG2-CB 3.53Å; I251-E255 WeakPolarHBondContact CG2-O 3.38Å; I251-L257 HydrophobicContact CD1-CB 3.77Å; I251-L257 HydrophobicContact CD1-CD1 4.17Å; I251-L257 HydrophobicContact CD1-CD2 4.21Å; I251-L257 HydrophobicContact CD1-CG 4.26Å; I251-L257 HydrophobicContact CG1-CB 4.01Å; I251-L257 HydrophobicContact CG1-CD2 4.38Å; I251-I271 HydrophobicContact CD1-CD1 3.8Å; I251-I271 HydrophobicContact CD1-CG1 3.91Å; I251-I271 HydrophobicContact CD1-CG2 4.42Å; I251-L294 HydrophobicContact CD1-CD2 3.85Å |
| 252 | G | 68.2 | Low | 65.9 | Low | 32 Ų | 32 | 61.5 Ų | 61.5 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 162 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D254 E255 | G252-D254 PolarHBondContact O-N 3.04Å; G252-E255 PolarHBondContact N-OE2 3.28Å; G252-E255 PolarHBondContact O-N 2.92Å |
| 253 | K | 68.9 | Low | 65.8 | Low | 206 Ų | 206 | 61.7 Ų | 61.7 | 90% | 0.896 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.7 | -177.2 | -72.5 | -173.7 | 177.3 | -177.6 | 0 | 113.9 | ||
| 254 | D | 74.6 | Confident | 65.8 | Low | 123 Ų | 123 | 59.3 Ų | 59.3 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 4.1 | 179.8 | -62.3 | -41.4 | 0 | 0 | 0 | 113.5 | G252 K308 | G252-D254 PolarHBondContact O-N 3.04Å; D254-K308 WeakPolarHBondContact O-CD 3.19Å; D254-K308 VanDerWaalsContact O-CE 3.29Å; D254-K308 WeakPolarHBondContact O-CE 3.46Å; D254-K308 PolarHBondContact O-NZ 3.36Å |
| 255 | E | 76 | Confident | 65.7 | Low | 29 Ų | 29 | 56.1 Ų | 56.1 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | trans | -102.8 | 148.2 | -176.1 | -61.8 | -177.3 | 151.3 | 0 | 0 | 111.8 | I251 G252 I271 C272 K296 | I251-E255 HydrophobicContact CG2-CB 3.53Å; I251-E255 WeakPolarHBondContact CG2-O 3.38Å; G252-E255 PolarHBondContact N-OE2 3.28Å; G252-E255 PolarHBondContact O-N 2.92Å; E255-I271 HydrophobicContact CB-CG2 3.93Å; E255-I271 HydrophobicContact CG-CG2 4.26Å; E255-C272 CarbonylContact C-O 3.59Å; E255-C272 WeakPolarHBondContact CA-O 2.95Å; E255-K296 IonicContact OE1-NZ 3.52Å; E255-K296 PolarHBondContact OE1-NZ 3Å; E255-K296 WeakPolarHBondContact OE2-CE 3.41Å; E255-K296 IonicContact OE2-NZ 3.13Å; E255-K296 PolarHBondContact OE2-NZ 2.92Å | ||
| 256 | E | 70.4 | Confident | 66.1 | Low | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.8 | 177.1 | -66.5 | 173.3 | -158.5 | 0 | 0 | 109.8 | Y258 I271 C272 K308 Y383 | E256-Y258 HydrophobicContact CB-CD2 4.39Å; E256-Y258 HydrophobicContact CB-CE2 3.63Å; E256-Y258 PolarHBondContact OE2-OH 3.05Å; E256-I271 CarbonylContact O-C 3.52Å; E256-I271 VanDerWaalsContact O-CA 3.32Å; E256-I271 WeakPolarHBondContact O-CA 3.16Å; E256-C272 HydrophobicContact CB-CB 4.37Å; E256-C272 PolarHBondContact N-O 3.43Å; E256-C272 PolarHBondContact O-N 3.4Å; E256-K308 WeakPolarHBondContact OE1-CE 3.46Å; E256-K308 IonicContact OE1-NZ 3.6Å; E256-K308 PolarHBondContact OE1-NZ 3.1Å; E256-Y383 WeakPolarHBondContact CG-O 3.34Å |
| 257 | L | 69.6 | Low | 66.5 | Low | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.6 | 176.6 | 179.4 | 66.8 | 0 | 0 | 0 | 110.4 | F215 I251 L259 A269 V270 I271 L294 | F215-L257 HydrophobicContact CB-CD2 3.6Å; F215-L257 HydrophobicContact CD1-CD2 3.82Å; F215-L257 HydrophobicContact CD2-CD2 3.42Å; F215-L257 VanDerWaalsContact CD2-CD2 3.42Å; F215-L257 HydrophobicContact CE1-CD2 4.32Å; F215-L257 HydrophobicContact CE2-CD2 3.98Å; F215-L257 HydrophobicContact CG-CD2 3.31Å; F215-L257 HydrophobicContact CZ-CD2 4.38Å; I251-L257 HydrophobicContact CD1-CB 3.77Å; I251-L257 HydrophobicContact CD1-CD1 4.17Å; I251-L257 HydrophobicContact CD1-CD2 4.21Å; I251-L257 HydrophobicContact CD1-CG 4.26Å; I251-L257 HydrophobicContact CG1-CB 4.01Å; I251-L257 HydrophobicContact CG1-CD2 4.38Å; L257-L259 HydrophobicContact CD1-CD2 4.28Å; L257-L259 HydrophobicContact CD2-CD2 4.33Å; L257-L259 HydrophobicContact CD2-CG 4.39Å; L257-L259 HydrophobicContact CG-CD2 4.32Å; L257-L259 HydrophobicContact CG-CG 4.4Å; L257-A269 HydrophobicContact CD1-CB 4.32Å; L257-V270 CarbonylContact C-O 3.59Å; L257-V270 WeakPolarHBondContact CA-O 3.43Å; L257-I271 HydrophobicContact CD1-CG1 3.82Å; L257-L294 HydrophobicContact CD1-CD2 4.08Å; L257-L294 HydrophobicContact CD2-CD2 4.22Å |
| 258 | Y | 71.8 | Confident | 67 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.2 | 174.2 | -64.8 | -95.3 | 0 | 0 | 0 | 108.6 | E256 A269 V270 C272 R310 K311 V312 T380 L381 | E256-Y258 HydrophobicContact CB-CD2 4.39Å; E256-Y258 HydrophobicContact CB-CE2 3.63Å; E256-Y258 PolarHBondContact OE2-OH 3.05Å; Y258-A269 CarbonylContact O-C 3.4Å; Y258-A269 WeakPolarHBondContact O-CA 3.23Å; Y258-V270 PolarHBondContact N-O 3.46Å; Y258-V270 PolarHBondContact O-N 3.06Å; Y258-C272 HydrophobicContact CD2-CB 4.43Å; Y258-C272 HydrophobicContact CE2-CB 3.93Å; Y258-R310 PolarHBondContact OH-O 3.48Å; Y258-K311 HydrophobicContact CE1-CG 4.48Å; Y258-V312 HydrophobicContact CD1-CB 4.05Å; Y258-V312 HydrophobicContact CD1-CG2 4.28Å; Y258-V312 HydrophobicContact CD2-CB 4.36Å; Y258-V312 HydrophobicContact CD2-CG2 3.73Å; Y258-V312 HydrophobicContact CE1-CB 4.47Å; Y258-V312 HydrophobicContact CE2-CG2 4.1Å; Y258-V312 HydrophobicContact CG-CB 3.99Å; Y258-V312 HydrophobicContact CG-CG2 3.87Å; Y258-T380 HydrophobicContact CD1-CG2 3.22Å; Y258-T380 HydrophobicContact CE1-CG2 3.34Å; Y258-T380 HydrophobicContact CG-CG2 4.45Å; Y258-L381 WeakPolarHBondContact CD1-O 3.43Å; Y258-L381 WeakPolarHBondContact CE1-O 3.39Å |
| 259 | L | 63.8 | Low | 67.7 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.3 | 170.9 | -63.6 | -177.9 | 0 | 0 | 0 | 109.3 | F215 I220 L257 T267 I268 A269 T445 | F215-L259 HydrophobicContact CB-CD1 4.07Å; I220-L259 HydrophobicContact CD1-CD2 3.88Å; I220-L259 HydrophobicContact CG1-CD2 4.15Å; L257-L259 HydrophobicContact CD1-CD2 4.28Å; L257-L259 HydrophobicContact CD2-CD2 4.33Å; L257-L259 HydrophobicContact CD2-CG 4.39Å; L257-L259 HydrophobicContact CG-CD2 4.32Å; L257-L259 HydrophobicContact CG-CG 4.4Å; L259-T267 HydrophobicContact CB-CG2 4.1Å; L259-T267 HydrophobicContact CD2-CG2 4.13Å; L259-I268 WeakPolarHBondContact CA-O 3.11Å; L259-A269 HydrophobicContact CD2-CB 3.71Å; L259-T445 HydrophobicContact CB-CG2 4.29Å; L259-T445 HydrophobicContact CD1-CG2 4.39Å; L259-T445 HydrophobicContact CG-CG2 4.5Å |
| 260 | L | 67.2 | Low | 68.5 | Low | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 110.9 | -176 | -54 | 162.1 | 0 | 0 | 0 | 107.9 | V262 T267 I268 V270 V312 Y314 L321 R379 T380 | L260-V262 PolarHBondContact O-N 3.39Å; L260-T267 CarbonylContact O-C 3.6Å; L260-T267 WeakPolarHBondContact O-CA 3.44Å; L260-I268 HydrophobicContact CB-CB 4.16Å; L260-I268 HydrophobicContact CD1-CB 4.41Å; L260-I268 PolarHBondContact N-O 3.23Å; L260-I268 PolarHBondContact O-N 3.15Å; L260-V270 HydrophobicContact CD1-CG2 4.29Å; L260-V312 HydrophobicContact CD1-CG1 4.05Å; L260-Y314 HydrophobicContact CB-CD1 4.5Å; L260-L321 HydrophobicContact CD1-CD2 3.42Å; L260-L321 VanDerWaalsContact CD1-CD2 3.42Å; L260-R379 VanDerWaalsContact CD2-O 3.24Å; L260-R379 WeakPolarHBondContact CD2-O 3.34Å; L260-T380 VanDerWaalsContact CD2-N 3.34Å |
| 261 | S | 63.3 | Low | 69.2 | Low | 18 Ų | 18 | 33.2 Ų | 33.2 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.5 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | G264 G378 | S261-G264 VanDerWaalsContact OG-CA 3.3Å; S261-G264 WeakPolarHBondContact OG-CA 3.47Å; S261-G264 PolarHBondContact OG-N 2.96Å; S261-G378 PolarHBondContact O-N 3.49Å |
| 262 | V | 61.3 | Low | 69.6 | Low | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -83.7 | -49.7 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L260 E266 I268 Y314 Y337 | L260-V262 PolarHBondContact O-N 3.39Å; V262-E266 HydrophobicContact CB-CB 4.21Å; V262-E266 HydrophobicContact CG2-CB 4.34Å; V262-E266 PolarHBondContact N-O 2.79Å; V262-I268 HydrophobicContact CG2-CD1 4.04Å; V262-I268 HydrophobicContact CG2-CG1 3.61Å; V262-Y314 HydrophobicContact CB-CE1 4.41Å; V262-Y314 HydrophobicContact CG1-CE1 4.31Å; V262-Y314 HydrophobicContact CG2-CE1 4.16Å; V262-Y337 HydrophobicContact CB-CE1 4.4Å; V262-Y337 HydrophobicContact CG1-CE1 3.73Å; V262-Y337 HydrophobicContact CG1-CE2 4.18Å; V262-Y337 HydrophobicContact CG2-CE1 3.89Å; V262-Y337 WeakPolarHBondContact CG2-OH 3.39Å |
| 263 | D | 56.1 | Low | 70.2 | Confident | 74 Ų | 74 | 30.3 Ų | 30.3 | 40% | 0.396 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -149.2 | 12.5 | -171.7 | 68.6 | -14.4 | 0 | 0 | 0 | 112.7 | K265 E266 | D263-K265 PolarHBondContact O-N 3.1Å; D263-K265 WeakPolarHBondContact OD1-CA 3.27Å; D263-K265 WeakPolarHBondContact OD1-CB 3.07Å; D263-K265 PolarHBondContact OD1-N 3.17Å; D263-E266 PolarHBondContact OD1-N 3.15Å |
| 264 | G | 57.7 | Low | 70.8 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 81.7 | -14 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S261 | S261-G264 VanDerWaalsContact OG-CA 3.3Å; S261-G264 WeakPolarHBondContact OG-CA 3.47Å; S261-G264 PolarHBondContact OG-N 2.96Å |
| 265 | K | 59.3 | Low | 71.3 | Confident | 105 Ų | 105 | 21.5 Ų | 21.5 | 46% | 0.457 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -108.8 | -27.5 | 178.4 | -65.8 | 174.6 | -175.6 | 167.9 | 0 | 112.3 | D263 N282 T283 N284 | D263-K265 PolarHBondContact O-N 3.1Å; D263-K265 WeakPolarHBondContact OD1-CA 3.27Å; D263-K265 WeakPolarHBondContact OD1-CB 3.07Å; D263-K265 PolarHBondContact OD1-N 3.17Å; K265-N282 CarbonylContact O-C 3.24Å; K265-T283 CarbonylContact O-C 3.47Å; K265-T283 PolarHBondContact O-N 2.78Å; K265-T283 PolarHBondContact O-OG1 3Å; K265-N284 HydrophobicContact CB-CB 3.93Å; K265-N284 HydrophobicContact CG-CB 4.1Å; K265-N284 PolarHBondContact O-N 3.26Å |
| 266 | E | 67.8 | Low | 71.8 | Confident | 35 Ų | 35 | 20.1 Ų | 20.1 | 16% | 0.164 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.6 | 176.6 | -59.3 | -171.8 | 146.3 | 0 | 0 | 110.3 | V262 D263 I280 F281 Y337 | V262-E266 HydrophobicContact CB-CB 4.21Å; V262-E266 HydrophobicContact CG2-CB 4.34Å; V262-E266 PolarHBondContact N-O 2.79Å; D263-E266 PolarHBondContact OD1-N 3.15Å; E266-I280 HydrophobicContact CB-CG2 4.27Å; E266-F281 CarbonylContact C-O 3.51Å; E266-F281 WeakPolarHBondContact CA-O 3.19Å; E266-Y337 WeakPolarHBondContact OE2-CD1 3.26Å |
| 267 | T | 71.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.4 | -178.1 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | L213 L259 L260 I280 F281 T283 | L213-T267 HydrophobicContact CD1-CG2 4.44Å; L213-T267 HydrophobicContact CD2-CG2 3.82Å; L213-T267 WeakPolarHBondContact CD2-OG1 3.14Å; L259-T267 HydrophobicContact CB-CG2 4.1Å; L259-T267 HydrophobicContact CD2-CG2 4.13Å; L260-T267 CarbonylContact O-C 3.6Å; L260-T267 WeakPolarHBondContact O-CA 3.44Å; T267-I280 CarbonylContact O-C 3.53Å; T267-I280 WeakPolarHBondContact O-CA 3.46Å; T267-F281 PolarHBondContact N-O 2.81Å; T267-F281 PolarHBondContact O-N 3.33Å; T267-T283 PolarHBondContact OG1-OG1 2.79Å |
| 268 | I | 73.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.3 | 168.3 | -42.4 | 179.2 | 0 | 0 | 0 | 108 | L259 L260 V262 V270 R279 I280 Y314 L321 V335 | L259-I268 WeakPolarHBondContact CA-O 3.11Å; L260-I268 HydrophobicContact CB-CB 4.16Å; L260-I268 HydrophobicContact CD1-CB 4.41Å; L260-I268 PolarHBondContact N-O 3.23Å; L260-I268 PolarHBondContact O-N 3.15Å; V262-I268 HydrophobicContact CG2-CD1 4.04Å; V262-I268 HydrophobicContact CG2-CG1 3.61Å; I268-V270 HydrophobicContact CG2-CG2 3.87Å; I268-R279 WeakPolarHBondContact CA-O 3.12Å; I268-I280 HydrophobicContact CG1-CG1 4.27Å; I268-Y314 HydrophobicContact CD1-CD1 4.1Å; I268-Y314 HydrophobicContact CD1-CD2 3.61Å; I268-Y314 HydrophobicContact CD1-CE1 4.23Å; I268-Y314 HydrophobicContact CD1-CE2 3.72Å; I268-Y314 HydrophobicContact CD1-CG 3.87Å; I268-L321 HydrophobicContact CD1-CD1 4.38Å; I268-L321 HydrophobicContact CD1-CD2 4.01Å; I268-L321 HydrophobicContact CD1-CG 4.18Å; I268-L321 HydrophobicContact CG2-CD1 3.94Å; I268-L321 HydrophobicContact CG2-CD2 4.13Å; I268-V335 HydrophobicContact CD1-CG2 4.42Å |
| 269 | A | 78.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I220 L257 Y258 L259 Y278 R279 F281 L294 M299 | I220-A269 HydrophobicContact CD1-CB 3.76Å; L257-A269 HydrophobicContact CD1-CB 4.32Å; Y258-A269 CarbonylContact O-C 3.4Å; Y258-A269 WeakPolarHBondContact O-CA 3.23Å; L259-A269 HydrophobicContact CD2-CB 3.71Å; A269-Y278 CarbonylContact O-C 3.17Å; A269-Y278 VanDerWaalsContact O-CA 3.23Å; A269-Y278 WeakPolarHBondContact O-CA 3.24Å; A269-R279 PolarHBondContact N-O 2.72Å; A269-R279 PolarHBondContact O-N 3.15Å; A269-F281 HydrophobicContact CB-CD2 3.85Å; A269-F281 HydrophobicContact CB-CE2 3.75Å; A269-L294 HydrophobicContact CB-CD1 4.39Å; A269-M299 HydrophobicContact CB-CE 4.3Å; A269-M299 VanDerWaalsContact O-CE 3.3Å; A269-M299 WeakPolarHBondContact O-CE 3.46Å |
| 270 | V | 80.8 | Confident | 74.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.1 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | L257 Y258 L260 I268 T276 Y277 V312 L321 F323 | L257-V270 CarbonylContact C-O 3.59Å; L257-V270 WeakPolarHBondContact CA-O 3.43Å; Y258-V270 PolarHBondContact N-O 3.46Å; Y258-V270 PolarHBondContact O-N 3.06Å; L260-V270 HydrophobicContact CD1-CG2 4.29Å; I268-V270 HydrophobicContact CG2-CG2 3.87Å; V270-T276 HydrophobicContact CG1-CG2 4.18Å; V270-Y277 CarbonylContact C-O 3.51Å; V270-Y277 VanDerWaalsContact CA-O 3.29Å; V270-Y277 WeakPolarHBondContact CA-O 3.36Å; V270-Y277 WeakPolarHBondContact CG1-O 3.34Å; V270-V312 HydrophobicContact CB-CG1 4.32Å; V270-V312 HydrophobicContact CB-CG2 4.24Å; V270-V312 HydrophobicContact CG1-CG1 4.24Å; V270-V312 HydrophobicContact CG1-CG2 3.74Å; V270-V312 HydrophobicContact CG2-CG1 4.1Å; V270-L321 HydrophobicContact CG2-CD2 4.14Å; V270-F323 HydrophobicContact CG1-CD1 4.47Å; V270-F323 HydrophobicContact CG1-CE1 3.68Å |
| 271 | I | 81.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.4 | 175 | -57.2 | 173.1 | 0 | 0 | 0 | 107.8 | I251 E255 E256 L257 T276 Y277 L294 K296 M299 | I251-I271 HydrophobicContact CD1-CD1 3.8Å; I251-I271 HydrophobicContact CD1-CG1 3.91Å; I251-I271 HydrophobicContact CD1-CG2 4.42Å; E255-I271 HydrophobicContact CB-CG2 3.93Å; E255-I271 HydrophobicContact CG-CG2 4.26Å; E256-I271 CarbonylContact O-C 3.52Å; E256-I271 VanDerWaalsContact O-CA 3.32Å; E256-I271 WeakPolarHBondContact O-CA 3.16Å; L257-I271 HydrophobicContact CD1-CG1 3.82Å; I271-T276 WeakPolarHBondContact O-CA 3.48Å; I271-Y277 HydrophobicContact CB-CD2 4.31Å; I271-Y277 HydrophobicContact CG2-CD2 4.5Å; I271-Y277 PolarHBondContact N-O 3.18Å; I271-Y277 PolarHBondContact O-N 2.97Å; I271-L294 HydrophobicContact CD1-CD2 4.11Å; I271-K296 HydrophobicContact CD1-CG 4.19Å; I271-M299 HydrophobicContact CD1-CE 4.21Å; I271-M299 HydrophobicContact CD1-SD 3.65Å; I271-M299 HydrophobicContact CG1-CE 4.14Å; I271-M299 HydrophobicContact CG1-SD 4.26Å |
| 272 | C | 79 | Confident | 76.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 100.3 | 170.2 | -73.2 | 0 | 0 | 0 | 0 | 109.6 | E255 E256 Y258 K308 C309 V312 | E255-C272 CarbonylContact C-O 3.59Å; E255-C272 WeakPolarHBondContact CA-O 2.95Å; E256-C272 HydrophobicContact CB-CB 4.37Å; E256-C272 PolarHBondContact N-O 3.43Å; E256-C272 PolarHBondContact O-N 3.4Å; Y258-C272 HydrophobicContact CD2-CB 4.43Å; Y258-C272 HydrophobicContact CE2-CB 3.93Å; C272-K308 HydrophobicContact CB-CG 4.35Å; C272-K308 WeakPolarHBondContact O-CE 3.47Å; C272-C309 VanDerWaalsContact CA-SG 3.55Å; C272-C309 HydrophobicContact CB-CB 4.16Å; C272-C309 WeakPolarHBondContact CB-O 2.95Å; C272-C309 WeakPolarHBondContact CB-SG 3.22Å; C272-C309 WeakPolarHBondContact SG-CB 3.18Å; C272-C309 PolarHBondContact SG-O 3.31Å; C272-C309 CovalentContact SG-SG 2.03Å; C272-C309 PolarHBondContact SG-SG 3.05Å; C272-V312 WeakPolarHBondContact SG-CG2 2.86Å |
| 273 | G | 82.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -126.4 | -162 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | V275 K308 | G273-V275 PolarHBondContact N-O 2.66Å; G273-V275 PolarHBondContact O-N 2.91Å; G273-V275 VanDerWaalsContact O-N 3.14Å; G273-K308 WeakPolarHBondContact O-CA 3.14Å; G273-K308 WeakPolarHBondContact O-CB 3.22Å |
| 274 | P | 81.1 | Confident | 77.4 | Confident | 88 Ų | 88 | 23 Ų | 23 | 57% | 0.571 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -52.2 | -31.3 | 165.4 | -24 | 33.7 | 0 | 0 | 0 | 112.2 | ||
| 275 | V | 84.5 | Confident | 77.7 | Confident | 56 Ų | 56 | 23 Ų | 23 | 34% | 0.339 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -120.5 | 136.2 | 169.3 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | G273 Y277 I301 | G273-V275 PolarHBondContact N-O 2.66Å; G273-V275 PolarHBondContact O-N 2.91Å; G273-V275 VanDerWaalsContact O-N 3.14Å; V275-Y277 HydrophobicContact CB-CE2 3.79Å; V275-Y277 HydrophobicContact CG1-CD2 4.49Å; V275-Y277 HydrophobicContact CG1-CE1 4.3Å; V275-Y277 HydrophobicContact CG1-CE2 3.84Å; V275-Y277 WeakPolarHBondContact O-CD2 3.4Å; V275-Y277 VanDerWaalsContact O-CE2 3.3Å; V275-Y277 WeakPolarHBondContact O-CE2 3.45Å; V275-I301 HydrophobicContact CG1-CG1 4.45Å; V275-I301 HydrophobicContact CG1-CG2 3.52Å |
| 276 | T | 87.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.6 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | V270 I271 V302 L305 C309 F323 | V270-T276 HydrophobicContact CG1-CG2 4.18Å; I271-T276 WeakPolarHBondContact O-CA 3.48Å; T276-V302 HydrophobicContact CG2-CB 4.49Å; T276-V302 HydrophobicContact CG2-CG2 4.28Å; T276-V302 PolarHBondContact O-N 3.29Å; T276-L305 HydrophobicContact CG2-CD1 4.07Å; T276-C309 PolarHBondContact OG1-SG 3.22Å; T276-C309 VanDerWaalsContact OG1-SG 3.41Å; T276-F323 HydrophobicContact CG2-CD1 4.05Å; T276-F323 HydrophobicContact CG2-CE1 3.71Å |
| 277 | Y | 86.7 | Confident | 78 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.9 | 177.6 | -55.9 | -98.1 | 0 | 0 | 0 | 110 | V270 I271 V275 K296 M299 T300 I301 | V270-Y277 CarbonylContact C-O 3.51Å; V270-Y277 VanDerWaalsContact CA-O 3.29Å; V270-Y277 WeakPolarHBondContact CA-O 3.36Å; V270-Y277 WeakPolarHBondContact CG1-O 3.34Å; I271-Y277 HydrophobicContact CB-CD2 4.31Å; I271-Y277 HydrophobicContact CG2-CD2 4.5Å; I271-Y277 PolarHBondContact N-O 3.18Å; I271-Y277 PolarHBondContact O-N 2.97Å; V275-Y277 HydrophobicContact CB-CE2 3.79Å; V275-Y277 HydrophobicContact CG1-CD2 4.49Å; V275-Y277 HydrophobicContact CG1-CE1 4.3Å; V275-Y277 HydrophobicContact CG1-CE2 3.84Å; V275-Y277 WeakPolarHBondContact O-CD2 3.4Å; V275-Y277 VanDerWaalsContact O-CE2 3.3Å; V275-Y277 WeakPolarHBondContact O-CE2 3.45Å; Y277-K296 HydrophobicContact CE1-CB 4.36Å; Y277-K296 HydrophobicContact CE2-CD 4.48Å; Y277-M299 HydrophobicContact CD1-CB 4.35Å; Y277-T300 CarbonylContact C-O 3.57Å; Y277-T300 WeakPolarHBondContact CA-O 3.41Å; Y277-I301 HydrophobicContact CD1-CG1 3.71Å; Y277-I301 HydrophobicContact CE1-CD1 4.06Å; Y277-I301 HydrophobicContact CE1-CG1 3.48Å; Y277-I301 VanDerWaalsContact CE1-CG1 3.48Å |
| 278 | Y | 87.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.5 | 166.5 | 82 | -73.1 | 0 | 0 | 0 | 112.6 | A269 T300 V302 L321 L333 Y346 P349 | A269-Y278 CarbonylContact O-C 3.17Å; A269-Y278 VanDerWaalsContact O-CA 3.23Å; A269-Y278 WeakPolarHBondContact O-CA 3.24Å; Y278-T300 HydrophobicContact CD1-CG2 4.22Å; Y278-T300 HydrophobicContact CE1-CG2 3.52Å; Y278-T300 PolarHBondContact N-O 3.11Å; Y278-T300 PolarHBondContact O-N 3.45Å; Y278-V302 HydrophobicContact CD1-CG2 3.53Å; Y278-V302 HydrophobicContact CE1-CG2 3.89Å; Y278-L321 HydrophobicContact CD2-CD1 3.8Å; Y278-L321 HydrophobicContact CE2-CD1 4.28Å; Y278-L321 HydrophobicContact CG-CD1 4.33Å; Y278-L333 HydrophobicContact CD1-CD2 4.19Å; Y278-L333 HydrophobicContact CD2-CD2 4.48Å; Y278-L333 HydrophobicContact CE1-CD2 3.7Å; Y278-L333 HydrophobicContact CE2-CD2 4.03Å; Y278-Y346 HydrophobicContact CE2-CD2 4.13Å; Y278-Y346 WeakPolarHBondContact OH-CB 3.47Å; Y278-Y346 WeakPolarHBondContact OH-CD2 3.47Å; Y278-P349 HydrophobicContact CE1-CG 3.96Å |
| 279 | R | 84.1 | Confident | 77.9 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 149.2 | 170.4 | -179.6 | 157 | -176.9 | -174.4 | -6.5 | 110.7 | I268 A269 F281 E298 M299 | I268-R279 WeakPolarHBondContact CA-O 3.12Å; A269-R279 PolarHBondContact N-O 2.72Å; A269-R279 PolarHBondContact O-N 3.15Å; R279-F281 HydrophobicContact CB-CD2 4.44Å; R279-F281 HydrophobicContact CB-CE2 3.83Å; R279-F281 HydrophobicContact CB-CZ 4.07Å; R279-F281 HydrophobicContact CG-CD2 4.35Å; R279-F281 HydrophobicContact CG-CE1 4.21Å; R279-F281 HydrophobicContact CG-CE2 3.95Å; R279-F281 HydrophobicContact CG-CZ 3.89Å; R279-E298 WeakPolarHBondContact CD-O 3.45Å; R279-E298 IonicContact CZ-OE2 2.76Å; R279-E298 PolarHBondContact NH1-O 2.94Å; R279-E298 IonicContact NH1-OE2 3.18Å; R279-E298 PolarHBondContact NH1-OE2 3.42Å; R279-E298 IonicContact NH2-OE2 2.67Å; R279-M299 HydrophobicContact CB-CB 4.23Å; R279-M299 HydrophobicContact CB-CE 4.25Å; R279-M299 HydrophobicContact CB-CG 3.87Å |
| 280 | I | 80.8 | Confident | 77.6 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132 | 170.3 | -44.3 | 178.4 | 0 | 0 | 0 | 108.1 | E266 T267 I268 V335 Y337 L343 | E266-I280 HydrophobicContact CB-CG2 4.27Å; T267-I280 CarbonylContact O-C 3.53Å; T267-I280 WeakPolarHBondContact O-CA 3.46Å; I268-I280 HydrophobicContact CG1-CG1 4.27Å; I280-V335 HydrophobicContact CD1-CG1 3.34Å; I280-V335 HydrophobicContact CG1-CG1 4.36Å; I280-Y337 HydrophobicContact CD1-CD1 4.05Å; I280-Y337 HydrophobicContact CD1-CE1 3.66Å; I280-Y337 HydrophobicContact CG2-CE1 4.41Å; I280-L343 HydrophobicContact CB-CD2 4.41Å; I280-L343 HydrophobicContact CG2-CD2 4.23Å; I280-L343 WeakPolarHBondContact O-CD2 3.32Å |
| 281 | F | 77.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.022 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.5 | 178.2 | -69.1 | -77.4 | 0 | 0 | 0 | 109.9 | I220 E266 T267 A269 R279 T283 I292 L294 | I220-F281 HydrophobicContact CD1-CD2 3.62Å; I220-F281 HydrophobicContact CD1-CE2 3.83Å; I220-F281 HydrophobicContact CD1-CG 4.26Å; E266-F281 CarbonylContact C-O 3.51Å; E266-F281 WeakPolarHBondContact CA-O 3.19Å; T267-F281 PolarHBondContact N-O 2.81Å; T267-F281 PolarHBondContact O-N 3.33Å; A269-F281 HydrophobicContact CB-CD2 3.85Å; A269-F281 HydrophobicContact CB-CE2 3.75Å; R279-F281 HydrophobicContact CB-CD2 4.44Å; R279-F281 HydrophobicContact CB-CE2 3.83Å; R279-F281 HydrophobicContact CB-CZ 4.07Å; R279-F281 HydrophobicContact CG-CD2 4.35Å; R279-F281 HydrophobicContact CG-CE1 4.21Å; R279-F281 HydrophobicContact CG-CE2 3.95Å; R279-F281 HydrophobicContact CG-CZ 3.89Å; F281-T283 HydrophobicContact CB-CG2 4.13Å; F281-T283 PolarHBondContact O-N 3.17Å; F281-I292 HydrophobicContact CB-CD1 3.93Å; F281-I292 HydrophobicContact CD1-CD1 4.42Å; F281-I292 HydrophobicContact CD1-CG2 3.6Å; F281-I292 HydrophobicContact CE1-CG2 3.82Å; F281-I292 HydrophobicContact CG-CG2 4.41Å; F281-L294 HydrophobicContact CE2-CD1 3.85Å; F281-L294 HydrophobicContact CZ-CD1 3.98Å |
| 282 | N | 78.6 | Confident | 77.4 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 104.5 | 168.5 | 175.5 | -27.7 | 0 | 0 | 0 | 107.2 | K265 N284 K290 I292 L343 | K265-N282 CarbonylContact O-C 3.24Å; N282-N284 PolarHBondContact OD1-N 2.74Å; N282-N284 VanDerWaalsContact OD1-N 3.17Å; N282-K290 VanDerWaalsContact CG-NZ 3.3Å; N282-K290 WeakPolarHBondContact O-CE 3.34Å; N282-K290 PolarHBondContact O-NZ 3.02Å; N282-K290 PolarHBondContact OD1-NZ 3.38Å; N282-I292 WeakPolarHBondContact O-CD1 3.44Å; N282-L343 HydrophobicContact CB-CD1 4.19Å; N282-L343 HydrophobicContact CB-CD2 4.26Å; N282-L343 HydrophobicContact CB-CG 4.45Å |
| 283 | T | 71.9 | Confident | 77.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | trans | -104.6 | 16.7 | -178.1 | 50.3 | 0 | 0 | 0 | 0 | 112 | L213 I220 S222 K265 T267 F281 P285 I292 | L213-T283 HydrophobicContact CD1-CG2 3.93Å; I220-T283 HydrophobicContact CG2-CG2 3.86Å; S222-T283 WeakPolarHBondContact CB-O 3.49Å; S222-T283 PolarHBondContact OG-O 2.93Å; K265-T283 CarbonylContact O-C 3.47Å; K265-T283 PolarHBondContact O-N 2.78Å; K265-T283 PolarHBondContact O-OG1 3Å; T267-T283 PolarHBondContact OG1-OG1 2.79Å; F281-T283 HydrophobicContact CB-CG2 4.13Å; F281-T283 PolarHBondContact O-N 3.17Å; T283-P285 WeakPolarHBondContact O-CD 3.46Å; T283-P285 VanDerWaalsContact O-N 3.14Å; T283-I292 HydrophobicContact CG2-CD1 3.85Å | ||
| 284 | N | 72.5 | Confident | 77.3 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | trans | -65.2 | 113.7 | 177.3 | -176.7 | -7.9 | 0 | 0 | 0 | 111.2 | K265 N282 R286 K290 | K265-N284 HydrophobicContact CB-CB 3.93Å; K265-N284 HydrophobicContact CG-CB 4.1Å; K265-N284 PolarHBondContact O-N 3.26Å; N282-N284 PolarHBondContact OD1-N 2.74Å; N282-N284 VanDerWaalsContact OD1-N 3.17Å; N284-R286 PolarHBondContact O-N 3.36Å; N284-R286 PolarHBondContact OD1-N 3.21Å; N284-K290 WeakPolarHBondContact O-CD 3.25Å | ||
| 285 | P | 65.1 | Low | 77.4 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -74.5 | -11.2 | -178 | 30.7 | -34.3 | 0 | 0 | 0 | 113.8 | I211 R224 T283 N287 G288 | I211-P285 HydrophobicContact CD1-CG 3.95Å; I211-P285 HydrophobicContact CG1-CG 4.05Å; I211-P285 HydrophobicContact CG2-CG 4.1Å; R224-P285 HydrophobicContact CB-CB 4.43Å; R224-P285 HydrophobicContact CB-CG 4.1Å; T283-P285 WeakPolarHBondContact O-CD 3.46Å; T283-P285 VanDerWaalsContact O-N 3.14Å; P285-N287 PolarHBondContact O-N 2.82Å; P285-N287 VanDerWaalsContact O-N 3.15Å; P285-G288 WeakPolarHBondContact CB-O 3.41Å; P285-G288 PolarHBondContact O-N 2.78Å; P285-G288 VanDerWaalsContact O-N 3.15Å | ||
| 286 | R | 70.9 | Confident | 77.3 | Confident | 192 Ų | 192 | 44.9 Ų | 44.9 | 73% | 0.725 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -116.6 | -167.4 | -60.5 | -179 | 174.6 | -178.8 | -2.5 | 110 | R224 N284 | R224-R286 VanDerWaalsContact CD-O 3.25Å; R224-R286 WeakPolarHBondContact CD-O 3.49Å; R224-R286 PolarHBondContact NE-O 3.2Å; N284-R286 PolarHBondContact O-N 3.36Å; N284-R286 PolarHBondContact OD1-N 3.21Å |
| 287 | N | 62.3 | Low | 76.9 | Confident | 136 Ų | 136 | 50.4 Ų | 50.4 | 73% | 0.727 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 15.2 | -175.9 | -67.1 | -11.5 | 0 | 0 | 0 | 113.8 | P285 | P285-N287 PolarHBondContact O-N 2.82Å; P285-N287 VanDerWaalsContact O-N 3.15Å |
| 288 | G | 67 | Low | 76.7 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -155.8 | -123 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R224 P285 | R224-G288 PolarHBondContact N-O 2.64Å; P285-G288 WeakPolarHBondContact CB-O 3.41Å; P285-G288 PolarHBondContact O-N 2.78Å; P285-G288 VanDerWaalsContact O-N 3.15Å |
| 289 | I | 74.9 | Confident | 76.6 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | -178.4 | -159.3 | 165.6 | 0 | 0 | 0 | 110.6 | S222 Y223 L239 V291 | S222-I289 CarbonylContact O-C 3.52Å; S222-I289 WeakPolarHBondContact O-CA 3.12Å; S222-I289 WeakPolarHBondContact O-CG1 3.33Å; Y223-I289 HydrophobicContact CD2-CB 3.91Å; Y223-I289 HydrophobicContact CD2-CD1 4Å; Y223-I289 HydrophobicContact CD2-CG1 3.95Å; L239-I289 HydrophobicContact CD1-CD1 4.3Å; L239-I289 HydrophobicContact CD2-CD1 3.24Å; L239-I289 HydrophobicContact CD2-CG1 4.24Å; L239-I289 HydrophobicContact CG-CD1 3.58Å; I289-V291 HydrophobicContact CD1-CG2 4.45Å; I289-V291 HydrophobicContact CG1-CG2 4.19Å |
| 290 | K | 73.4 | Confident | 76.6 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.7 | 170.5 | -177.4 | 167.7 | -169.7 | 178.9 | 0 | 109.6 | F221 S222 N282 N284 I292 | F221-K290 CarbonylContact C-O 3.46Å; F221-K290 VanDerWaalsContact CA-O 3.26Å; F221-K290 WeakPolarHBondContact CA-O 3.16Å; S222-K290 PolarHBondContact N-O 2.75Å; S222-K290 PolarHBondContact O-N 2.95Å; N282-K290 VanDerWaalsContact CG-NZ 3.3Å; N282-K290 WeakPolarHBondContact O-CE 3.34Å; N282-K290 PolarHBondContact O-NZ 3.02Å; N282-K290 PolarHBondContact OD1-NZ 3.38Å; N284-K290 WeakPolarHBondContact O-CD 3.25Å; K290-I292 HydrophobicContact CG-CG1 4.36Å |
| 291 | V | 78.4 | Confident | 76.8 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 21% | 0.212 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.1 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | Y219 I220 F221 L239 I289 | Y219-V291 HydrophobicContact CD1-CG1 3.68Å; Y219-V291 HydrophobicContact CG-CG1 3.81Å; I220-V291 CarbonylContact O-C 3.58Å; I220-V291 WeakPolarHBondContact O-CA 3.48Å; F221-V291 HydrophobicContact CB-CG2 4.25Å; L239-V291 HydrophobicContact CD2-CG2 4.13Å; I289-V291 HydrophobicContact CD1-CG2 4.45Å; I289-V291 HydrophobicContact CG1-CG2 4.19Å |
| 292 | I | 77.9 | Confident | 77.2 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 122.9 | -174.9 | -53.1 | 172.4 | 0 | 0 | 0 | 108.8 | Y219 I220 F281 N282 T283 K290 L294 | Y219-I292 CarbonylContact C-O 3.52Å; Y219-I292 WeakPolarHBondContact CA-O 3.32Å; I220-I292 HydrophobicContact CB-CB 4.46Å; I220-I292 PolarHBondContact N-O 2.72Å; I220-I292 PolarHBondContact O-N 2.8Å; F281-I292 HydrophobicContact CB-CD1 3.93Å; F281-I292 HydrophobicContact CD1-CD1 4.42Å; F281-I292 HydrophobicContact CD1-CG2 3.6Å; F281-I292 HydrophobicContact CE1-CG2 3.82Å; F281-I292 HydrophobicContact CG-CG2 4.41Å; N282-I292 WeakPolarHBondContact O-CD1 3.44Å; T283-I292 HydrophobicContact CG2-CD1 3.85Å; K290-I292 HydrophobicContact CG-CG1 4.36Å; I292-L294 PolarHBondContact O-N 3.08Å |
| 293 | N | 81.1 | Confident | 77.2 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 122 | 178.1 | -58.2 | 12.7 | 0 | 0 | 0 | 109.3 | Y219 F246 K295 | Y219-N293 HydrophobicContact CD1-CB 4.42Å; Y219-N293 WeakPolarHBondContact CD1-OD1 3.46Å; Y219-N293 HydrophobicContact CE1-CB 4.49Å; Y219-N293 WeakPolarHBondContact CE1-OD1 3.4Å; F246-N293 HydrophobicContact CD1-CB 4.12Å; F246-N293 HydrophobicContact CE1-CB 3.96Å; F246-N293 HydrophobicContact CZ-CB 4.3Å; N293-K295 PolarHBondContact O-N 3.46Å |
| 294 | L | 78.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | trans | -79.8 | 109.1 | 175.9 | -171.7 | 65 | 0 | 0 | 0 | 108.9 | F215 G218 I220 G249 I251 L257 A269 I271 F281 I292 M299 | F215-L294 HydrophobicContact CD2-CD2 4.15Å; F215-L294 HydrophobicContact CE2-CB 4.16Å; F215-L294 HydrophobicContact CE2-CD2 3.59Å; F215-L294 HydrophobicContact CZ-CD2 4.36Å; G218-L294 WeakPolarHBondContact O-CB 3.3Å; G218-L294 PolarHBondContact O-N 2.87Å; I220-L294 HydrophobicContact CD1-CD1 4Å; G249-L294 WeakPolarHBondContact CA-O 3.49Å; I251-L294 HydrophobicContact CD1-CD2 3.85Å; L257-L294 HydrophobicContact CD1-CD2 4.08Å; L257-L294 HydrophobicContact CD2-CD2 4.22Å; A269-L294 HydrophobicContact CB-CD1 4.39Å; I271-L294 HydrophobicContact CD1-CD2 4.11Å; F281-L294 HydrophobicContact CE2-CD1 3.85Å; F281-L294 HydrophobicContact CZ-CD1 3.98Å; I292-L294 PolarHBondContact O-N 3.08Å; L294-M299 HydrophobicContact CD1-CE 4.49Å; L294-M299 HydrophobicContact CD1-SD 3.81Å; L294-M299 HydrophobicContact CG-SD 4.49Å | ||
| 295 | K | 83.2 | Confident | 78 | Confident | 73 Ų | 73 | 61 Ų | 61 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | trans | -117.4 | 121.1 | 176.8 | -73.4 | 170.1 | 179.7 | 176 | 0 | 110.2 | F246 N293 S297 E298 | F246-K295 HydrophobicContact CE1-CG 3.69Å; F246-K295 HydrophobicContact CZ-CD 4.31Å; F246-K295 HydrophobicContact CZ-CG 3.76Å; N293-K295 PolarHBondContact O-N 3.46Å; K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 3.08Å; K295-E298 HydrophobicContact CB-CB 3.94Å; K295-E298 HydrophobicContact CB-CG 4.37Å; K295-E298 WeakPolarHBondContact CD-OE1 3.26Å; K295-E298 IonicContact NZ-OE1 2.97Å; K295-E298 PolarHBondContact NZ-OE1 2.76Å; K295-E298 VanDerWaalsContact O-CB 3.25Å; K295-E298 WeakPolarHBondContact O-CB 3.43Å; K295-E298 PolarHBondContact O-N 2.88Å; K295-E298 VanDerWaalsContact O-N 3.08Å | ||
| 296 | K | 82.4 | Confident | 78.4 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -62.2 | -36 | 179.5 | -64.8 | -177.2 | -174.9 | 178 | 0 | 113.1 | E255 I271 Y277 E298 M299 | E255-K296 IonicContact OE1-NZ 3.52Å; E255-K296 PolarHBondContact OE1-NZ 3Å; E255-K296 WeakPolarHBondContact OE2-CE 3.41Å; E255-K296 IonicContact OE2-NZ 3.13Å; E255-K296 PolarHBondContact OE2-NZ 2.92Å; I271-K296 HydrophobicContact CD1-CG 4.19Å; Y277-K296 HydrophobicContact CE1-CB 4.36Å; Y277-K296 HydrophobicContact CE2-CD 4.48Å; K296-E298 PolarHBondContact O-N 2.99Å; K296-E298 VanDerWaalsContact O-N 3.08Å; K296-M299 PolarHBondContact O-N 2.99Å |
| 297 | S | 81 | Confident | 78.9 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 81% | 0.811 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -59.7 | -19.3 | 176.3 | 58 | 0 | 0 | 0 | 0 | 113.5 | K295 | K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 3.08Å |
| 298 | E | 81.1 | Confident | 79.8 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 35% | 0.346 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -99.3 | -8.4 | -177.5 | -101.1 | -170.1 | -126 | 0 | 0 | 111.7 | R279 K295 K296 | R279-E298 WeakPolarHBondContact CD-O 3.45Å; R279-E298 IonicContact CZ-OE2 2.76Å; R279-E298 PolarHBondContact NH1-O 2.94Å; R279-E298 IonicContact NH1-OE2 3.18Å; R279-E298 PolarHBondContact NH1-OE2 3.42Å; R279-E298 IonicContact NH2-OE2 2.67Å; K295-E298 HydrophobicContact CB-CB 3.94Å; K295-E298 HydrophobicContact CB-CG 4.37Å; K295-E298 WeakPolarHBondContact CD-OE1 3.26Å; K295-E298 IonicContact NZ-OE1 2.97Å; K295-E298 PolarHBondContact NZ-OE1 2.76Å; K295-E298 VanDerWaalsContact O-CB 3.25Å; K295-E298 WeakPolarHBondContact O-CB 3.43Å; K295-E298 PolarHBondContact O-N 2.88Å; K295-E298 VanDerWaalsContact O-N 3.08Å; K296-E298 PolarHBondContact O-N 2.99Å; K296-E298 VanDerWaalsContact O-N 3.08Å |
| 299 | M | 85.3 | Confident | 80.3 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -95.1 | 153.6 | 179.4 | -61.1 | -179.9 | 74.1 | 0 | 0 | 111.4 | A269 I271 Y277 R279 L294 K296 | A269-M299 HydrophobicContact CB-CE 4.3Å; A269-M299 VanDerWaalsContact O-CE 3.3Å; A269-M299 WeakPolarHBondContact O-CE 3.46Å; I271-M299 HydrophobicContact CD1-CE 4.21Å; I271-M299 HydrophobicContact CD1-SD 3.65Å; I271-M299 HydrophobicContact CG1-CE 4.14Å; I271-M299 HydrophobicContact CG1-SD 4.26Å; Y277-M299 HydrophobicContact CD1-CB 4.35Å; R279-M299 HydrophobicContact CB-CB 4.23Å; R279-M299 HydrophobicContact CB-CE 4.25Å; R279-M299 HydrophobicContact CB-CG 3.87Å; L294-M299 HydrophobicContact CD1-CE 4.49Å; L294-M299 HydrophobicContact CD1-SD 3.81Å; L294-M299 HydrophobicContact CG-SD 4.49Å; K296-M299 PolarHBondContact O-N 2.99Å |
| 300 | T | 84.5 | Confident | 80.3 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.9 | 173.8 | -64.3 | 0 | 0 | 0 | 0 | 110 | Y277 Y278 Y346 | Y277-T300 CarbonylContact C-O 3.57Å; Y277-T300 WeakPolarHBondContact CA-O 3.41Å; Y278-T300 HydrophobicContact CD1-CG2 4.22Å; Y278-T300 HydrophobicContact CE1-CG2 3.52Å; Y278-T300 PolarHBondContact N-O 3.11Å; Y278-T300 PolarHBondContact O-N 3.45Å; T300-Y346 WeakPolarHBondContact CB-O 3.42Å; T300-Y346 WeakPolarHBondContact CG2-O 3.47Å; T300-Y346 PolarHBondContact OG1-N 3.02Å; T300-Y346 VanDerWaalsContact OG1-N 3.1Å; T300-Y346 PolarHBondContact OG1-O 3.41Å |
| 301 | I | 84.9 | Confident | 80.1 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.2 | 170.4 | -62.3 | 167.8 | 0 | 0 | 0 | 109.2 | V275 Y277 K303 | V275-I301 HydrophobicContact CG1-CG1 4.45Å; V275-I301 HydrophobicContact CG1-CG2 3.52Å; Y277-I301 HydrophobicContact CD1-CG1 3.71Å; Y277-I301 HydrophobicContact CE1-CD1 4.06Å; Y277-I301 HydrophobicContact CE1-CG1 3.48Å; Y277-I301 VanDerWaalsContact CE1-CG1 3.48Å; I301-K303 HydrophobicContact CG2-CG 3.88Å; I301-K303 PolarHBondContact O-N 3.16Å |
| 302 | V | 85.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -91.9 | 84.3 | 170.8 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | T276 Y278 Q304 L305 F323 P349 L351 | T276-V302 HydrophobicContact CG2-CB 4.49Å; T276-V302 HydrophobicContact CG2-CG2 4.28Å; T276-V302 PolarHBondContact O-N 3.29Å; Y278-V302 HydrophobicContact CD1-CG2 3.53Å; Y278-V302 HydrophobicContact CE1-CG2 3.89Å; V302-Q304 PolarHBondContact O-N 3.01Å; V302-Q304 VanDerWaalsContact O-N 3.14Å; V302-L305 HydrophobicContact CB-CD1 4.35Å; V302-L305 HydrophobicContact CB-CG 4.48Å; V302-L305 HydrophobicContact CG1-CB 4.4Å; V302-L305 HydrophobicContact CG1-CD1 3.91Å; V302-L305 HydrophobicContact CG1-CG 3.81Å; V302-L305 PolarHBondContact O-N 3.4Å; V302-L305 VanDerWaalsContact O-N 3.12Å; V302-F323 HydrophobicContact CG2-CZ 4.28Å; V302-P349 HydrophobicContact CG1-CG 4.49Å; V302-L351 HydrophobicContact CG1-CD1 3.7Å; V302-L351 HydrophobicContact CG1-CD2 4.01Å; V302-L351 HydrophobicContact CG1-CG 4.1Å | ||
| 303 | K | 79.9 | Confident | 79.2 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 61% | 0.613 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.1 | -169 | -60.7 | -173.2 | -171.6 | 171.6 | 0 | 113.3 | I301 L305 D348 | I301-K303 HydrophobicContact CG2-CG 3.88Å; I301-K303 PolarHBondContact O-N 3.16Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 PolarHBondContact O-N 3.5Å; K303-D348 WeakPolarHBondContact CB-OD1 3.45Å; K303-D348 WeakPolarHBondContact CB-OD2 3.48Å; K303-D348 HydrophobicContact CD-CB 4.44Å; K303-D348 VanDerWaalsContact CD-OD2 3.32Å; K303-D348 WeakPolarHBondContact CD-OD2 3.35Å; K303-D348 HydrophobicContact CG-CB 4.44Å; K303-D348 WeakPolarHBondContact CG-OD2 3.34Å; K303-D348 PolarHBondContact N-OD1 2.82Å |
| 304 | Q | 78.7 | Confident | 78.3 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.8 | 179.3 | -64.2 | -173 | -4 | 0 | 0 | 113 | V302 K306 L351 | V302-Q304 PolarHBondContact O-N 3.01Å; V302-Q304 VanDerWaalsContact O-N 3.14Å; Q304-K306 PolarHBondContact O-N 3.43Å; Q304-L351 HydrophobicContact CB-CD1 3.68Å; Q304-L351 HydrophobicContact CB-CG 4.24Å; Q304-L351 VanDerWaalsContact OE1-CB 3.26Å |
| 305 | L | 82.5 | Confident | 77.5 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | trans | -88.9 | 87.9 | 175 | -62.3 | -179.1 | 0 | 0 | 0 | 110.4 | T276 V302 K303 K307 F323 M325 H331 L351 | T276-L305 HydrophobicContact CG2-CD1 4.07Å; V302-L305 HydrophobicContact CB-CD1 4.35Å; V302-L305 HydrophobicContact CB-CG 4.48Å; V302-L305 HydrophobicContact CG1-CB 4.4Å; V302-L305 HydrophobicContact CG1-CD1 3.91Å; V302-L305 HydrophobicContact CG1-CG 3.81Å; V302-L305 PolarHBondContact O-N 3.4Å; V302-L305 VanDerWaalsContact O-N 3.12Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 PolarHBondContact O-N 3.5Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 3.12Å; L305-F323 HydrophobicContact CD1-CB 3.75Å; L305-F323 HydrophobicContact CD1-CD1 3.69Å; L305-F323 HydrophobicContact CD1-CD2 4.03Å; L305-F323 HydrophobicContact CD1-CE1 4.24Å; L305-F323 HydrophobicContact CD1-CG 3.57Å; L305-M325 HydrophobicContact CD1-SD 4.4Å; L305-M325 HydrophobicContact CD2-CE 4.19Å; L305-M325 HydrophobicContact CD2-CG 4.43Å; L305-M325 HydrophobicContact CD2-SD 3.63Å; L305-M325 HydrophobicContact CG-SD 4.47Å; L305-H331 HydrophobicContact CD2-CB 4.24Å; L305-L351 HydrophobicContact CD1-CD1 4.31Å; L305-L351 HydrophobicContact CD2-CD1 3.55Å; L305-L351 HydrophobicContact CG-CD1 3.61Å | ||
| 306 | K | 72.4 | Confident | 76.2 | Confident | 190 Ų | 190 | 58.3 Ų | 58.3 | 83% | 0.826 | 28% | 0.279 | S | S | * | . | trans | -78.2 | -8.1 | 178 | -63.2 | -173.5 | 180 | -177.5 | 0 | 114.7 | Q304 | Q304-K306 PolarHBondContact O-N 3.43Š| ||
| 307 | K | 80.7 | Confident | 74.7 | Confident | 158 Ų | 158 | 63 Ų | 63 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -115.5 | 156.4 | 177.1 | -68.4 | -175.5 | 179.2 | -177.7 | 0 | 108.7 | L305 C309 M325 | L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 3.12Å; K307-C309 PolarHBondContact O-N 3.46Å; K307-M325 HydrophobicContact CB-CE 3.74Å; K307-M325 WeakPolarHBondContact O-CE 3.31Å |
| 308 | K | 82.2 | Confident | 73.6 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | trans | -62.1 | 125.6 | 170.8 | 178.9 | 178.3 | 172.2 | -178.1 | 0 | 109.3 | D254 E256 C272 G273 R310 | D254-K308 WeakPolarHBondContact O-CD 3.19Å; D254-K308 VanDerWaalsContact O-CE 3.29Å; D254-K308 WeakPolarHBondContact O-CE 3.46Å; D254-K308 PolarHBondContact O-NZ 3.36Å; E256-K308 WeakPolarHBondContact OE1-CE 3.46Å; E256-K308 IonicContact OE1-NZ 3.6Å; E256-K308 PolarHBondContact OE1-NZ 3.1Å; C272-K308 HydrophobicContact CB-CG 4.35Å; C272-K308 WeakPolarHBondContact O-CE 3.47Å; G273-K308 WeakPolarHBondContact O-CA 3.14Å; G273-K308 WeakPolarHBondContact O-CB 3.22Å; K308-R310 PolarHBondContact O-N 2.74Å | ||
| 309 | C | 77.8 | Confident | 72.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -64.4 | 130.7 | 168.4 | 34.9 | 0 | 0 | 0 | 0 | 109.6 | C272 T276 K307 K311 F323 F324 M325 | C272-C309 VanDerWaalsContact CA-SG 3.55Å; C272-C309 HydrophobicContact CB-CB 4.16Å; C272-C309 WeakPolarHBondContact CB-O 2.95Å; C272-C309 WeakPolarHBondContact CB-SG 3.22Å; C272-C309 WeakPolarHBondContact SG-CB 3.18Å; C272-C309 PolarHBondContact SG-O 3.31Å; C272-C309 CovalentContact SG-SG 2.03Å; C272-C309 PolarHBondContact SG-SG 3.05Å; T276-C309 PolarHBondContact OG1-SG 3.22Å; T276-C309 VanDerWaalsContact OG1-SG 3.41Å; K307-C309 PolarHBondContact O-N 3.46Å; C309-K311 VanDerWaalsContact C-N 3.32Å; C309-F323 HydrophobicContact CB-CB 4.41Å; C309-F324 CarbonylContact C-O 3.54Å; C309-M325 HydrophobicContact CB-SD 4.03Å | ||
| 310 | R | 74.1 | Confident | 72.3 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -69.7 | -35 | 175.6 | 177.8 | 175.9 | 60.5 | 118.8 | -0.7 | 111.1 | Y258 K308 F324 D326 E365 | Y258-R310 PolarHBondContact OH-O 3.48Å; K308-R310 PolarHBondContact O-N 2.74Å; R310-F324 PolarHBondContact N-O 2.71Å; R310-D326 PolarHBondContact NH2-O 3.09Å; R310-E365 IonicContact CZ-OE1 2.91Å; R310-E365 IonicContact CZ-OE2 3.65Å; R310-E365 IonicContact NH1-OE1 3.53Å; R310-E365 PolarHBondContact NH1-OE1 2.81Å; R310-E365 VanDerWaalsContact NH1-OE1 3.09Å; R310-E365 IonicContact NH1-OE2 3.47Å; R310-E365 PolarHBondContact NH1-OE2 2.8Å; R310-E365 VanDerWaalsContact NH2-CD 3.31Å; R310-E365 IonicContact NH2-OE1 2.83Å; R310-E365 PolarHBondContact NH2-OE1 2.92Å; R310-E365 IonicContact NH2-OE2 3.18Å; R310-E365 PolarHBondContact NH2-OE2 2.77Å |
| 311 | K | 69.1 | Low | 72 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 151.7 | -177 | -175.9 | 170.9 | 179 | -167.6 | 0 | 109.9 | Y258 C309 F324 T380 S382 | Y258-K311 HydrophobicContact CE1-CG 4.48Å; C309-K311 VanDerWaalsContact C-N 3.32Å; K311-F324 HydrophobicContact CB-CB 4.16Å; K311-F324 HydrophobicContact CB-CD2 4.05Å; K311-F324 HydrophobicContact CG-CD2 4.12Å; K311-F324 PolarHBondContact N-O 2.8Å; K311-F324 PolarHBondContact O-N 3.42Å; K311-T380 HydrophobicContact CG-CG2 3.94Å; K311-S382 WeakPolarHBondContact CD-OG 3.5Å; K311-S382 WeakPolarHBondContact CE-OG 2.8Å; K311-S382 WeakPolarHBondContact CG-OG 2.75Å |
| 312 | V | 66.8 | Low | 71.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 164.1 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | Y258 L260 V270 C272 L321 I322 F323 T380 | Y258-V312 HydrophobicContact CD1-CB 4.05Å; Y258-V312 HydrophobicContact CD1-CG2 4.28Å; Y258-V312 HydrophobicContact CD2-CB 4.36Å; Y258-V312 HydrophobicContact CD2-CG2 3.73Å; Y258-V312 HydrophobicContact CE1-CB 4.47Å; Y258-V312 HydrophobicContact CE2-CG2 4.1Å; Y258-V312 HydrophobicContact CG-CB 3.99Å; Y258-V312 HydrophobicContact CG-CG2 3.87Å; L260-V312 HydrophobicContact CD1-CG1 4.05Å; V270-V312 HydrophobicContact CB-CG1 4.32Å; V270-V312 HydrophobicContact CB-CG2 4.24Å; V270-V312 HydrophobicContact CG1-CG1 4.24Å; V270-V312 HydrophobicContact CG1-CG2 3.74Å; V270-V312 HydrophobicContact CG2-CG1 4.1Å; C272-V312 WeakPolarHBondContact SG-CG2 2.86Å; V312-L321 HydrophobicContact CG1-CD2 4.05Å; V312-I322 CarbonylContact C-O 3.47Å; V312-I322 VanDerWaalsContact C-O 3.24Å; V312-I322 WeakPolarHBondContact CA-O 3.32Å; V312-F323 HydrophobicContact CG1-CD1 4.38Å; V312-F323 HydrophobicContact CG1-CE1 4.41Å; V312-F323 HydrophobicContact CG2-CD1 4.12Å; V312-F323 HydrophobicContact CG2-CE1 4.48Å; V312-T380 WeakPolarHBondContact O-CB 3.35Å; V312-T380 WeakPolarHBondContact O-CG2 3.43Å; V312-T380 PolarHBondContact O-OG1 3.13Å |
| 313 | D | 70.9 | Confident | 71.5 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 166.9 | 158.5 | -152.7 | -13.8 | 0 | 0 | 0 | 109.1 | L321 I322 F324 T380 | D313-L321 CarbonylContact O-C 3.54Å; D313-L321 WeakPolarHBondContact O-CA 3.4Å; D313-I322 HydrophobicContact CB-CB 4.42Å; D313-I322 PolarHBondContact N-O 3.39Å; D313-I322 PolarHBondContact O-N 2.87Å; D313-F324 HydrophobicContact CB-CE2 3.9Å; D313-T380 WeakPolarHBondContact CA-OG1 3.17Å; D313-T380 WeakPolarHBondContact CB-OG1 3.4Å; D313-T380 PolarHBondContact OD1-N 3.4Å; D313-T380 PolarHBondContact OD1-OG1 2.86Å; D313-T380 PolarHBondContact OD2-OG1 3.48Å |
| 314 | Y | 61.6 | Low | 71.5 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 111.6 | 179 | 177 | -123.3 | 0 | 0 | 0 | 110 | L260 V262 I268 A316 K320 L321 V335 Y337 G378 | L260-Y314 HydrophobicContact CB-CD1 4.5Å; V262-Y314 HydrophobicContact CB-CE1 4.41Å; V262-Y314 HydrophobicContact CG1-CE1 4.31Å; V262-Y314 HydrophobicContact CG2-CE1 4.16Å; I268-Y314 HydrophobicContact CD1-CD1 4.1Å; I268-Y314 HydrophobicContact CD1-CD2 3.61Å; I268-Y314 HydrophobicContact CD1-CE1 4.23Å; I268-Y314 HydrophobicContact CD1-CE2 3.72Å; I268-Y314 HydrophobicContact CD1-CG 3.87Å; Y314-A316 HydrophobicContact CD1-CB 4.23Å; Y314-A316 HydrophobicContact CE1-CB 3.49Å; Y314-A316 VanDerWaalsContact CE1-CB 3.49Å; Y314-A316 PolarHBondContact O-N 3.04Å; Y314-A316 WeakPolarHBondContact OH-CA 2.82Å; Y314-K320 CarbonylContact C-O 3.57Å; Y314-K320 WeakPolarHBondContact CA-O 3.25Å; Y314-K320 WeakPolarHBondContact CD2-O 3.37Å; Y314-L321 HydrophobicContact CD2-CD2 4.15Å; Y314-L321 HydrophobicContact CD2-CG 4.23Å; Y314-L321 HydrophobicContact CG-CD2 4.48Å; Y314-V335 HydrophobicContact CE2-CG2 4.4Å; Y314-Y337 WeakPolarHBondContact CE2-OH 3.26Å; Y314-Y337 WeakPolarHBondContact OH-CE2 3.17Å; Y314-Y337 PolarHBondContact OH-OH 3.15Å; Y314-G378 CarbonylContact O-C 3.52Å; Y314-G378 VanDerWaalsContact O-C 3.27Å; Y314-G378 VanDerWaalsContact O-CA 3.3Å; Y314-G378 WeakPolarHBondContact O-CA 3.29Å |
| 315 | N | 61.8 | Low | 71.6 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 98.1 | 171.2 | -173.7 | -30.5 | 0 | 0 | 0 | 109 | K317 V318 A319 K320 | N315-K317 VanDerWaalsContact C-N 3.31Å; N315-K317 PolarHBondContact O-N 2.91Å; N315-K317 WeakPolarHBondContact OD1-CB 3.43Å; N315-K317 PolarHBondContact OD1-N 2.85Å; N315-K317 VanDerWaalsContact OD1-N 3.17Å; N315-V318 HydrophobicContact CB-CG2 4.16Å; N315-A319 WeakPolarHBondContact O-CA 3.45Å; N315-A319 PolarHBondContact O-N 3.19Å; N315-K320 PolarHBondContact N-O 3.48Å; N315-K320 PolarHBondContact O-N 3.49Å |
| 316 | A | 55.6 | Low | 71.4 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -70.6 | -24.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y314 V318 A319 N377 | Y314-A316 HydrophobicContact CD1-CB 4.23Å; Y314-A316 HydrophobicContact CE1-CB 3.49Å; Y314-A316 VanDerWaalsContact CE1-CB 3.49Å; Y314-A316 PolarHBondContact O-N 3.04Å; Y314-A316 WeakPolarHBondContact OH-CA 2.82Å; A316-V318 PolarHBondContact O-N 3.17Å; A316-A319 PolarHBondContact O-N 3.2Å; A316-N377 HydrophobicContact CB-CB 3.08Å; A316-N377 WeakPolarHBondContact CB-O 3.36Å; A316-N377 PolarHBondContact N-O 3.31Å |
| 317 | K | 51.2 | Low | 71.1 | Confident | 160 Ų | 160 | 46.9 Ų | 46.9 | 70% | 0.696 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -57.7 | -36.7 | 179.9 | -175.3 | -178.7 | 177.3 | -176.6 | 0 | 111.3 | N315 | N315-K317 VanDerWaalsContact C-N 3.31Å; N315-K317 PolarHBondContact O-N 2.91Å; N315-K317 WeakPolarHBondContact OD1-CB 3.43Å; N315-K317 PolarHBondContact OD1-N 2.85Å; N315-K317 VanDerWaalsContact OD1-N 3.17Å |
| 318 | V | 58.7 | Low | 70.3 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -115.1 | 9.2 | 179.4 | -67.3 | 0 | 0 | 0 | 0 | 113 | N315 A316 K320 | N315-V318 HydrophobicContact CB-CG2 4.16Å; A316-V318 PolarHBondContact O-N 3.17Å; V318-K320 HydrophobicContact CB-CD 4.49Å; V318-K320 HydrophobicContact CB-CG 4.39Å; V318-K320 HydrophobicContact CG2-CB 4.13Å; V318-K320 HydrophobicContact CG2-CD 3.78Å; V318-K320 HydrophobicContact CG2-CG 3.82Å |
| 319 | A | 66.7 | Low | 70 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 56.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N315 A316 V335 Y337 | N315-A319 WeakPolarHBondContact O-CA 3.45Å; N315-A319 PolarHBondContact O-N 3.19Å; A316-A319 PolarHBondContact O-N 3.2Å; A319-V335 WeakPolarHBondContact CB-O 3.4Å; A319-V335 WeakPolarHBondContact O-CA 3.37Å; A319-V335 WeakPolarHBondContact O-CB 3.49Å; A319-V335 PolarHBondContact O-N 3.05Å; A319-Y337 HydrophobicContact CB-CD2 4.34Å; A319-Y337 HydrophobicContact CB-CE2 3.66Å |
| 320 | K | 73.3 | Confident | 70.1 | Confident | 63 Ų | 63 | 38.9 Ų | 38.9 | 27% | 0.274 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.3 | -179.7 | -69.2 | -176.8 | 177.9 | -175.3 | 0 | 112.4 | Y314 N315 V318 E332 L333 | Y314-K320 CarbonylContact C-O 3.57Å; Y314-K320 WeakPolarHBondContact CA-O 3.25Å; Y314-K320 WeakPolarHBondContact CD2-O 3.37Å; N315-K320 PolarHBondContact N-O 3.48Å; N315-K320 PolarHBondContact O-N 3.49Å; V318-K320 HydrophobicContact CB-CD 4.49Å; V318-K320 HydrophobicContact CB-CG 4.39Å; V318-K320 HydrophobicContact CG2-CB 4.13Å; V318-K320 HydrophobicContact CG2-CD 3.78Å; V318-K320 HydrophobicContact CG2-CG 3.82Å; K320-E332 HydrophobicContact CD-CB 4.5Å; K320-E332 WeakPolarHBondContact CD-OE2 3.5Å; K320-E332 IonicContact NZ-OE2 2.91Å; K320-E332 PolarHBondContact NZ-OE2 3.5Å; K320-L333 CarbonylContact C-O 3.55Å; K320-L333 VanDerWaalsContact CA-O 3.29Å; K320-L333 WeakPolarHBondContact CA-O 3.48Å |
| 321 | L | 76.9 | Confident | 70.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.9 | 164.3 | -76.7 | 163.5 | 0 | 0 | 0 | 109.5 | L260 I268 V270 Y278 V312 D313 Y314 F323 E332 L333 V335 | L260-L321 HydrophobicContact CD1-CD2 3.42Å; L260-L321 VanDerWaalsContact CD1-CD2 3.42Å; I268-L321 HydrophobicContact CD1-CD1 4.38Å; I268-L321 HydrophobicContact CD1-CD2 4.01Å; I268-L321 HydrophobicContact CD1-CG 4.18Å; I268-L321 HydrophobicContact CG2-CD1 3.94Å; I268-L321 HydrophobicContact CG2-CD2 4.13Å; V270-L321 HydrophobicContact CG2-CD2 4.14Å; Y278-L321 HydrophobicContact CD2-CD1 3.8Å; Y278-L321 HydrophobicContact CE2-CD1 4.28Å; Y278-L321 HydrophobicContact CG-CD1 4.33Å; V312-L321 HydrophobicContact CG1-CD2 4.05Å; D313-L321 CarbonylContact O-C 3.54Å; D313-L321 WeakPolarHBondContact O-CA 3.4Å; Y314-L321 HydrophobicContact CD2-CD2 4.15Å; Y314-L321 HydrophobicContact CD2-CG 4.23Å; Y314-L321 HydrophobicContact CG-CD2 4.48Å; L321-F323 HydrophobicContact CB-CE2 4Å; L321-F323 HydrophobicContact CB-CZ 4.2Å; L321-F323 HydrophobicContact CD1-CZ 4.43Å; L321-E332 CarbonylContact O-C 3.42Å; L321-E332 WeakPolarHBondContact O-CA 3.25Å; L321-L333 HydrophobicContact CB-CB 4.12Å; L321-L333 HydrophobicContact CD1-CD2 4.13Å; L321-L333 PolarHBondContact N-O 2.67Å; L321-L333 PolarHBondContact O-N 3.04Å; L321-V335 HydrophobicContact CB-CG2 4.25Å; L321-V335 HydrophobicContact CD1-CG2 3.61Å; L321-V335 HydrophobicContact CG-CG2 3.65Å |
| 322 | I | 77.8 | Confident | 71.2 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.2 | 177.8 | -54.4 | 177.5 | 0 | 0 | 0 | 107.5 | V312 D313 F324 A330 H331 E332 F354 Y364 | V312-I322 CarbonylContact C-O 3.47Å; V312-I322 VanDerWaalsContact C-O 3.24Å; V312-I322 WeakPolarHBondContact CA-O 3.32Å; D313-I322 HydrophobicContact CB-CB 4.42Å; D313-I322 PolarHBondContact N-O 3.39Å; D313-I322 PolarHBondContact O-N 2.87Å; I322-F324 HydrophobicContact CB-CE2 4.35Å; I322-F324 HydrophobicContact CB-CZ 4.47Å; I322-F324 HydrophobicContact CG2-CD2 4.37Å; I322-F324 HydrophobicContact CG2-CE1 4.03Å; I322-F324 HydrophobicContact CG2-CE2 3.85Å; I322-F324 HydrophobicContact CG2-CZ 3.67Å; I322-A330 HydrophobicContact CG2-CB 4.21Å; I322-H331 CarbonylContact C-O 3.57Å; I322-H331 WeakPolarHBondContact CA-O 3.39Å; I322-E332 HydrophobicContact CG1-CG 4.49Å; I322-F354 HydrophobicContact CG2-CE1 4.1Å; I322-F354 HydrophobicContact CG2-CZ 3.83Å; I322-Y364 HydrophobicContact CD1-CE1 3.9Å |
| 323 | F | 83.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.7 | 176.8 | -56.2 | -92.6 | 0 | 0 | 0 | 108.7 | V270 T276 V302 L305 C309 V312 L321 M325 A330 H331 L333 L351 | V270-F323 HydrophobicContact CG1-CD1 4.47Å; V270-F323 HydrophobicContact CG1-CE1 3.68Å; T276-F323 HydrophobicContact CG2-CD1 4.05Å; T276-F323 HydrophobicContact CG2-CE1 3.71Å; V302-F323 HydrophobicContact CG2-CZ 4.28Å; L305-F323 HydrophobicContact CD1-CB 3.75Å; L305-F323 HydrophobicContact CD1-CD1 3.69Å; L305-F323 HydrophobicContact CD1-CD2 4.03Å; L305-F323 HydrophobicContact CD1-CE1 4.24Å; L305-F323 HydrophobicContact CD1-CG 3.57Å; C309-F323 HydrophobicContact CB-CB 4.41Å; V312-F323 HydrophobicContact CG1-CD1 4.38Å; V312-F323 HydrophobicContact CG1-CE1 4.41Å; V312-F323 HydrophobicContact CG2-CD1 4.12Å; V312-F323 HydrophobicContact CG2-CE1 4.48Å; L321-F323 HydrophobicContact CB-CE2 4Å; L321-F323 HydrophobicContact CB-CZ 4.2Å; L321-F323 HydrophobicContact CD1-CZ 4.43Å; F323-M325 HydrophobicContact CB-SD 4.45Å; F323-A330 CarbonylContact O-C 3.55Å; F323-A330 VanDerWaalsContact O-CA 3.25Å; F323-A330 WeakPolarHBondContact O-CA 3.38Å; F323-H331 HydrophobicContact CB-CB 4.44Å; F323-H331 PolarHBondContact N-O 2.91Å; F323-H331 PolarHBondContact O-N 2.81Å; F323-L333 HydrophobicContact CD2-CB 4.5Å; F323-L333 HydrophobicContact CE2-CB 3.72Å; F323-L333 HydrophobicContact CE2-CD2 3.85Å; F323-L333 HydrophobicContact CE2-CG 4.44Å; F323-L333 HydrophobicContact CZ-CD2 4.05Å; F323-L351 HydrophobicContact CD2-CD2 4.35Å; F323-L351 HydrophobicContact CE2-CD2 4.25Å |
| 324 | F | 79.4 | Confident | 72.2 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.9 | 174.9 | -59.6 | -83.4 | 0 | 0 | 0 | 109.1 | C309 R310 K311 D313 I322 A330 N356 Y364 E365 | C309-F324 CarbonylContact C-O 3.54Å; R310-F324 PolarHBondContact N-O 2.71Å; K311-F324 HydrophobicContact CB-CB 4.16Å; K311-F324 HydrophobicContact CB-CD2 4.05Å; K311-F324 HydrophobicContact CG-CD2 4.12Å; K311-F324 PolarHBondContact N-O 2.8Å; K311-F324 PolarHBondContact O-N 3.42Å; D313-F324 HydrophobicContact CB-CE2 3.9Å; I322-F324 HydrophobicContact CB-CE2 4.35Å; I322-F324 HydrophobicContact CB-CZ 4.47Å; I322-F324 HydrophobicContact CG2-CD2 4.37Å; I322-F324 HydrophobicContact CG2-CE1 4.03Å; I322-F324 HydrophobicContact CG2-CE2 3.85Å; I322-F324 HydrophobicContact CG2-CZ 3.67Å; F324-A330 HydrophobicContact CD1-CB 3.83Å; F324-A330 HydrophobicContact CE1-CB 4.14Å; F324-N356 WeakPolarHBondContact CE1-OD1 3.35Å; F324-Y364 HydrophobicContact CE1-CD1 4.16Å; F324-Y364 HydrophobicContact CZ-CD1 4.12Å; F324-E365 HydrophobicContact CD1-CB 4.45Å; F324-E365 HydrophobicContact CE1-CB 4.21Å |
| 325 | M | 81.3 | Confident | 72.7 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 14% | 0.138 | 21% | 0.209 | C | C | . | . | trans | -88.8 | -42 | -178.8 | -57.1 | -48 | -62.6 | 0 | 0 | 111 | L305 K307 C309 F323 T329 | L305-M325 HydrophobicContact CD1-SD 4.4Å; L305-M325 HydrophobicContact CD2-CE 4.19Å; L305-M325 HydrophobicContact CD2-CG 4.43Å; L305-M325 HydrophobicContact CD2-SD 3.63Å; L305-M325 HydrophobicContact CG-SD 4.47Å; K307-M325 HydrophobicContact CB-CE 3.74Å; K307-M325 WeakPolarHBondContact O-CE 3.31Å; C309-M325 HydrophobicContact CB-SD 4.03Å; F323-M325 HydrophobicContact CB-SD 4.45Å; M325-T329 PolarHBondContact N-O 3.07Å | ||
| 326 | D | 76.7 | Confident | 72.8 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -151.2 | -162 | 179.1 | 53.8 | 46.3 | 0 | 0 | 0 | 108.8 | R310 S328 T329 | R310-D326 PolarHBondContact NH2-O 3.09Å; D326-S328 VanDerWaalsContact C-N 3.31Å; D326-S328 PolarHBondContact OD1-N 3.27Å; D326-S328 PolarHBondContact OD1-OG 3.07Å; D326-S328 VanDerWaalsContact OD1-OG 3.11Å; D326-T329 WeakPolarHBondContact OD1-CB 3.17Å; D326-T329 PolarHBondContact OD1-N 3.03Å |
| 327 | Q | 65.9 | Low | 73 | Confident | 133 Ų | 133 | 44 Ų | 44 | 62% | 0.621 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -74.9 | -17.2 | -180 | -69.7 | 179.6 | -15.2 | 0 | 0 | 113.6 | N356 | Q327-N356 WeakPolarHBondContact O-CB 3.22Å; Q327-N356 PolarHBondContact O-ND2 3.4Å |
| 328 | S | 65.8 | Low | 72.8 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -117.4 | -19.1 | -174.7 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | D326 D355 N356 | D326-S328 VanDerWaalsContact C-N 3.31Å; D326-S328 PolarHBondContact OD1-N 3.27Å; D326-S328 PolarHBondContact OD1-OG 3.07Å; D326-S328 VanDerWaalsContact OD1-OG 3.11Å; S328-D355 CarbonylContact O-C 3.46Å; S328-D355 WeakPolarHBondContact O-CA 3.09Å; S328-N356 WeakPolarHBondContact O-CB 3.45Å; S328-N356 PolarHBondContact O-N 3.43Å |
| 329 | T | 74.6 | Confident | 72 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.7 | -173.5 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | M325 D326 R353 | M325-T329 PolarHBondContact N-O 3.07Å; D326-T329 WeakPolarHBondContact OD1-CB 3.17Å; D326-T329 PolarHBondContact OD1-N 3.03Å; T329-R353 HydrophobicContact CG2-CG 4.05Å; T329-R353 VanDerWaalsContact CG2-NE 3.34Å; T329-R353 PolarHBondContact OG1-NH2 3.47Å |
| 330 | A | 81 | Confident | 70.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I322 F323 F324 F354 | I322-A330 HydrophobicContact CG2-CB 4.21Å; F323-A330 CarbonylContact O-C 3.55Å; F323-A330 VanDerWaalsContact O-CA 3.25Å; F323-A330 WeakPolarHBondContact O-CA 3.38Å; F324-A330 HydrophobicContact CD1-CB 3.83Å; F324-A330 HydrophobicContact CE1-CB 4.14Å; A330-F354 HydrophobicContact CB-CD1 4.16Å; A330-F354 HydrophobicContact CB-CD2 4.5Å; A330-F354 HydrophobicContact CB-CE1 3.48Å; A330-F354 VanDerWaalsContact CB-CE1 3.48Å; A330-F354 HydrophobicContact CB-CE2 3.9Å; A330-F354 HydrophobicContact CB-CZ 3.36Å; A330-F354 PolarHBondContact N-O 3.24Å; A330-F354 VanDerWaalsContact N-O 3.08Å; A330-F354 WeakPolarHBondContact O-CD1 3.29Å; A330-F354 PolarHBondContact O-N 2.94Å; A330-F354 VanDerWaalsContact O-O 3.06Å |
| 331 | H | 82.9 | Confident | 68.7 | Low | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.7 | 177.5 | -69.4 | -93.5 | 0 | 0 | 0 | 110.3 | L305 I322 F323 L351 V352 | L305-H331 HydrophobicContact CD2-CB 4.24Å; I322-H331 CarbonylContact C-O 3.57Å; I322-H331 WeakPolarHBondContact CA-O 3.39Å; F323-H331 HydrophobicContact CB-CB 4.44Å; F323-H331 PolarHBondContact N-O 2.91Å; F323-H331 PolarHBondContact O-N 2.81Å; H331-L351 HydrophobicContact CB-CB 4.21Å; H331-L351 HydrophobicContact CB-CD1 4.03Å; H331-L351 HydrophobicContact CB-CD2 4.44Å; H331-L351 HydrophobicContact CB-CG 4.48Å; H331-V352 CarbonylContact C-O 3.46Å; H331-V352 WeakPolarHBondContact CA-O 3.44Å |
| 332 | E | 83.2 | Confident | 67 | Low | 13 Ų | 13 | 57.6 Ų | 57.6 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.8 | 172.4 | -55.5 | -174.3 | 174.7 | 0 | 0 | 111.3 | K320 L321 I322 L351 V352 F354 R358 | K320-E332 HydrophobicContact CD-CB 4.5Å; K320-E332 WeakPolarHBondContact CD-OE2 3.5Å; K320-E332 IonicContact NZ-OE2 2.91Å; K320-E332 PolarHBondContact NZ-OE2 3.5Å; L321-E332 CarbonylContact O-C 3.42Å; L321-E332 WeakPolarHBondContact O-CA 3.25Å; I322-E332 HydrophobicContact CG1-CG 4.49Å; E332-L351 WeakPolarHBondContact O-CA 3.3Å; E332-V352 PolarHBondContact N-O 2.74Å; E332-V352 PolarHBondContact O-N 2.52Å; E332-F354 HydrophobicContact CB-CE1 4.4Å; E332-F354 HydrophobicContact CG-CD1 3.61Å; E332-F354 HydrophobicContact CG-CE1 3.23Å; E332-F354 HydrophobicContact CG-CZ 4.07Å; E332-R358 IonicContact OE1-CZ 3.2Å; E332-R358 IonicContact OE1-NH1 3.44Å; E332-R358 PolarHBondContact OE1-NH1 2.94Å; E332-R358 IonicContact OE1-NH2 3.73Å; E332-R358 PolarHBondContact OE1-NH2 2.84Å; E332-R358 IonicContact OE2-NH2 3.41Å |
| 333 | L | 81.5 | Confident | 65.6 | Low | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.9 | 172.9 | 170.3 | 58 | 0 | 0 | 0 | 109 | Y278 K320 L321 F323 V335 P349 L351 | Y278-L333 HydrophobicContact CD1-CD2 4.19Å; Y278-L333 HydrophobicContact CD2-CD2 4.48Å; Y278-L333 HydrophobicContact CE1-CD2 3.7Å; Y278-L333 HydrophobicContact CE2-CD2 4.03Å; K320-L333 CarbonylContact C-O 3.55Å; K320-L333 VanDerWaalsContact CA-O 3.29Å; K320-L333 WeakPolarHBondContact CA-O 3.48Å; L321-L333 HydrophobicContact CB-CB 4.12Å; L321-L333 HydrophobicContact CD1-CD2 4.13Å; L321-L333 PolarHBondContact N-O 2.67Å; L321-L333 PolarHBondContact O-N 3.04Å; F323-L333 HydrophobicContact CD2-CB 4.5Å; F323-L333 HydrophobicContact CE2-CB 3.72Å; F323-L333 HydrophobicContact CE2-CD2 3.85Å; F323-L333 HydrophobicContact CE2-CG 4.44Å; F323-L333 HydrophobicContact CZ-CD2 4.05Å; L333-V335 PolarHBondContact O-N 3.21Å; L333-P349 HydrophobicContact CD1-CB 3.24Å; L333-P349 HydrophobicContact CD1-CG 3.59Å; L333-P349 HydrophobicContact CD2-CB 4.44Å; L333-P349 HydrophobicContact CD2-CG 3.9Å; L333-P349 HydrophobicContact CG-CB 4.47Å; L333-P349 HydrophobicContact CG-CG 4.41Å; L333-L351 HydrophobicContact CB-CD2 3.8Å; L333-L351 HydrophobicContact CD1-CD2 4.43Å |
| 334 | K | 77 | Confident | 64.3 | Low | 147 Ų | 147 | 64.3 Ų | 64.3 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123 | 172.3 | -168.9 | 177.4 | -178.5 | -179.6 | 0 | 109.8 | ||
| 335 | V | 70.9 | Confident | 63.2 | Low | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | trans | -93.2 | 133 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | I268 I280 Y314 A319 L321 L333 Y337 | I268-V335 HydrophobicContact CD1-CG2 4.42Å; I280-V335 HydrophobicContact CD1-CG1 3.34Å; I280-V335 HydrophobicContact CG1-CG1 4.36Å; Y314-V335 HydrophobicContact CE2-CG2 4.4Å; A319-V335 WeakPolarHBondContact CB-O 3.4Å; A319-V335 WeakPolarHBondContact O-CA 3.37Å; A319-V335 WeakPolarHBondContact O-CB 3.49Å; A319-V335 PolarHBondContact O-N 3.05Å; L321-V335 HydrophobicContact CB-CG2 4.25Å; L321-V335 HydrophobicContact CD1-CG2 3.61Å; L321-V335 HydrophobicContact CG-CG2 3.65Å; L333-V335 PolarHBondContact O-N 3.21Å; V335-Y337 HydrophobicContact CG1-CE1 4.09Å; V335-Y337 HydrophobicContact CG1-CE2 4.28Å | ||
| 336 | T | 64.5 | Low | 62.3 | Low | 63 Ų | 63 | 69.6 Ų | 69.6 | 39% | 0.387 | 36% | 0.355 | S | S | . | . | trans | -109.5 | 145.2 | 170 | 29.5 | 0 | 0 | 0 | 0 | 109.2 | Y346 | T336-Y346 VanDerWaalsContact C-OH 3.31Å; T336-Y346 PolarHBondContact O-OH 3.06Å; T336-Y346 PolarHBondContact OG1-OH 3.19Å; T336-Y346 VanDerWaalsContact OG1-OH 3.09Å | ||
| 337 | Y | 60.4 | Low | 61.4 | Low | 59 Ų | 59 | 72.2 Ų | 72.2 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | trans | -110.7 | 142.3 | 176.1 | -59.7 | -79.6 | 0 | 0 | 0 | 107.6 | V262 E266 I280 Y314 A319 V335 | V262-Y337 HydrophobicContact CB-CE1 4.4Å; V262-Y337 HydrophobicContact CG1-CE1 3.73Å; V262-Y337 HydrophobicContact CG1-CE2 4.18Å; V262-Y337 HydrophobicContact CG2-CE1 3.89Å; V262-Y337 WeakPolarHBondContact CG2-OH 3.39Å; E266-Y337 WeakPolarHBondContact OE2-CD1 3.26Å; I280-Y337 HydrophobicContact CD1-CD1 4.05Å; I280-Y337 HydrophobicContact CD1-CE1 3.66Å; I280-Y337 HydrophobicContact CG2-CE1 4.41Å; Y314-Y337 WeakPolarHBondContact CE2-OH 3.26Å; Y314-Y337 WeakPolarHBondContact OH-CE2 3.17Å; Y314-Y337 PolarHBondContact OH-OH 3.15Å; A319-Y337 HydrophobicContact CB-CD2 4.34Å; A319-Y337 HydrophobicContact CB-CE2 3.66Å; V335-Y337 HydrophobicContact CG1-CE1 4.09Å; V335-Y337 HydrophobicContact CG1-CE2 4.28Å | ||
| 338 | N | 47.6 | Very low | 61.2 | Low | 58 Ų | 58 | 68.8 Ų | 68.8 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | trans | -100 | 135.2 | 165.9 | -104.9 | 34.4 | 0 | 0 | 0 | 108.2 | D340 K344 | N338-D340 PolarHBondContact ND2-OD2 3.03Å; N338-D340 PolarHBondContact O-N 3.31Å; N338-K344 WeakPolarHBondContact OD1-CE 3.17Å; N338-K344 PolarHBondContact OD1-NZ 2.83Å | ||
| 339 | H | 40 | Very low | 61.2 | Low | 189 Ų | 189 | 67.1 Ų | 67.1 | 88% | 0.875 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -10.4 | 179.6 | -64.6 | -70.8 | 0 | 0 | 0 | 113.1 | G341 | H339-G341 PolarHBondContact O-N 3.13Š|
| 340 | D | 36.5 | Very low | 61.1 | Low | 118 Ų | 118 | 75.4 Ų | 75.4 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 6.4 | -168.1 | -25.9 | -35 | 0 | 0 | 0 | 113.9 | N338 K342 | N338-D340 PolarHBondContact ND2-OD2 3.03Å; N338-D340 PolarHBondContact O-N 3.31Å; D340-K342 PolarHBondContact O-N 2.92Å |
| 341 | G | 36.1 | Very low | 60.8 | Low | 51 Ų | 51 | 76.3 Ų | 76.3 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 69.6 | -1.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H339 | H339-G341 PolarHBondContact O-N 3.13Š|
| 342 | K | 40 | Very low | 60.5 | Low | 179 Ų | 179 | 79.2 Ų | 79.2 | 78% | 0.778 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 124.3 | 170.4 | -71.5 | -174.9 | 179.7 | 177.8 | 0 | 110.4 | D340 | D340-K342 PolarHBondContact O-N 2.92Š|
| 343 | L | 48.8 | Very low | 60.3 | Low | 57 Ų | 57 | 86.9 Ų | 86.9 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 129 | -177 | -63 | 162.3 | 0 | 0 | 0 | 111.5 | I280 N282 | I280-L343 HydrophobicContact CB-CD2 4.41Å; I280-L343 HydrophobicContact CG2-CD2 4.23Å; I280-L343 WeakPolarHBondContact O-CD2 3.32Å; N282-L343 HydrophobicContact CB-CD1 4.19Å; N282-L343 HydrophobicContact CB-CD2 4.26Å; N282-L343 HydrophobicContact CB-CG 4.45Å |
| 344 | K | 56.2 | Low | 59.8 | Low | 86 Ų | 86 | 87.6 Ų | 87.6 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 128.4 | 173.1 | -87.5 | 178 | 167.7 | 164.9 | 0 | 111.5 | N338 Y346 | N338-K344 WeakPolarHBondContact OD1-CE 3.17Å; N338-K344 PolarHBondContact OD1-NZ 2.83Å; K344-Y346 HydrophobicContact CB-CE1 4.3Å; K344-Y346 HydrophobicContact CB-CE2 3.85Å; K344-Y346 HydrophobicContact CD-CE1 4.14Å; K344-Y346 WeakPolarHBondContact CD-OH 2.88Å |
| 345 | T | 56.4 | Low | 59.1 | Low | 92 Ų | 92 | 84.8 Ų | 84.8 | 56% | 0.564 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 131.9 | 156.8 | 30 | 0 | 0 | 0 | 0 | 109.1 | ||
| 346 | Y | 61.8 | Low | 58.2 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 19% | 0.192 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 135.1 | -178.5 | -66.6 | -80.8 | 0 | 0 | 0 | 110.4 | Y278 T300 T336 K344 | Y278-Y346 HydrophobicContact CE2-CD2 4.13Å; Y278-Y346 WeakPolarHBondContact OH-CB 3.47Å; Y278-Y346 WeakPolarHBondContact OH-CD2 3.47Å; T300-Y346 WeakPolarHBondContact CB-O 3.42Å; T300-Y346 WeakPolarHBondContact CG2-O 3.47Å; T300-Y346 PolarHBondContact OG1-N 3.02Å; T300-Y346 VanDerWaalsContact OG1-N 3.1Å; T300-Y346 PolarHBondContact OG1-O 3.41Å; T336-Y346 VanDerWaalsContact C-OH 3.31Å; T336-Y346 PolarHBondContact O-OH 3.06Å; T336-Y346 PolarHBondContact OG1-OH 3.19Å; T336-Y346 VanDerWaalsContact OG1-OH 3.09Å; K344-Y346 HydrophobicContact CB-CE1 4.3Å; K344-Y346 HydrophobicContact CB-CE2 3.85Å; K344-Y346 HydrophobicContact CD-CE1 4.14Å; K344-Y346 WeakPolarHBondContact CD-OH 2.88Å |
| 347 | S | 59 | Low | 57.2 | Low | 119 Ų | 119 | 85.7 Ų | 85.7 | 83% | 0.832 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -82.7 | 114.5 | 165.2 | 53.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 348 | D | 61.7 | Low | 56.3 | Low | 61 Ų | 61 | 89.1 Ų | 89.1 | 33% | 0.326 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 20.9 | 101.5 | 176.4 | -167.5 | 27.2 | 0 | 0 | 0 | 116.8 | K303 | K303-D348 WeakPolarHBondContact CB-OD1 3.45Å; K303-D348 WeakPolarHBondContact CB-OD2 3.48Å; K303-D348 HydrophobicContact CD-CB 4.44Å; K303-D348 VanDerWaalsContact CD-OD2 3.32Å; K303-D348 WeakPolarHBondContact CD-OD2 3.35Å; K303-D348 HydrophobicContact CG-CB 4.44Å; K303-D348 WeakPolarHBondContact CG-OD2 3.34Å; K303-D348 PolarHBondContact N-OD1 2.82Å |
| 349 | P | 65.9 | Low | 56 | Low | 16 Ų | 16 | 90.7 Ų | 90.7 | 10% | 0.104 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 149.4 | -170.8 | 34.4 | -36.7 | 0 | 0 | 0 | 114.1 | Y278 V302 L333 L351 | Y278-P349 HydrophobicContact CE1-CG 3.96Å; V302-P349 HydrophobicContact CG1-CG 4.49Å; L333-P349 HydrophobicContact CD1-CB 3.24Å; L333-P349 HydrophobicContact CD1-CG 3.59Å; L333-P349 HydrophobicContact CD2-CB 4.44Å; L333-P349 HydrophobicContact CD2-CG 3.9Å; L333-P349 HydrophobicContact CG-CB 4.47Å; L333-P349 HydrophobicContact CG-CG 4.41Å; P349-L351 PolarHBondContact O-N 2.87Å |
| 350 | K | 70.6 | Confident | 55.8 | Low | 188 Ų | 188 | 84 Ų | 84 | 82% | 0.817 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 121.3 | 170 | -67.9 | -175 | -179.5 | -178.4 | 0 | 110.4 | ||
| 351 | L | 76.5 | Confident | 55.8 | Low | 20 Ų | 20 | 85.4 Ų | 85.4 | 11% | 0.105 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 145.7 | 173.9 | -60.1 | 174.7 | 0 | 0 | 0 | 111.4 | V302 Q304 L305 F323 H331 E332 L333 P349 | V302-L351 HydrophobicContact CG1-CD1 3.7Å; V302-L351 HydrophobicContact CG1-CD2 4.01Å; V302-L351 HydrophobicContact CG1-CG 4.1Å; Q304-L351 HydrophobicContact CB-CD1 3.68Å; Q304-L351 HydrophobicContact CB-CG 4.24Å; Q304-L351 VanDerWaalsContact OE1-CB 3.26Å; L305-L351 HydrophobicContact CD1-CD1 4.31Å; L305-L351 HydrophobicContact CD2-CD1 3.55Å; L305-L351 HydrophobicContact CG-CD1 3.61Å; F323-L351 HydrophobicContact CD2-CD2 4.35Å; F323-L351 HydrophobicContact CE2-CD2 4.25Å; H331-L351 HydrophobicContact CB-CB 4.21Å; H331-L351 HydrophobicContact CB-CD1 4.03Å; H331-L351 HydrophobicContact CB-CD2 4.44Å; H331-L351 HydrophobicContact CB-CG 4.48Å; E332-L351 WeakPolarHBondContact O-CA 3.3Å; L333-L351 HydrophobicContact CB-CD2 3.8Å; L333-L351 HydrophobicContact CD1-CD2 4.43Å; P349-L351 PolarHBondContact O-N 2.87Å |
| 352 | V | 76.7 | Confident | 55.8 | Low | 91 Ų | 91 | 89.6 Ų | 89.6 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.7 | 167.3 | -178 | 0 | 0 | 0 | 0 | 107.9 | H331 E332 | H331-V352 CarbonylContact C-O 3.46Å; H331-V352 WeakPolarHBondContact CA-O 3.44Å; E332-V352 PolarHBondContact N-O 2.74Å; E332-V352 PolarHBondContact O-N 2.52Å |
| 353 | R | 77.5 | Confident | 55.7 | Low | 174 Ų | 174 | 82.8 Ų | 82.8 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.6 | 173.4 | -173.6 | 179.9 | 178.4 | -173.6 | 0.3 | 109.4 | T329 | T329-R353 HydrophobicContact CG2-CG 4.05Å; T329-R353 VanDerWaalsContact CG2-NE 3.34Å; T329-R353 PolarHBondContact OG1-NH2 3.47Å |
| 354 | F | 71.2 | Confident | 55.5 | Low | 20 Ų | 20 | 81.7 Ų | 81.7 | 9% | 0.088 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.3 | 171.4 | 69.1 | -76.4 | 0 | 0 | 0 | 111.1 | I322 A330 E332 R358 | I322-F354 HydrophobicContact CG2-CE1 4.1Å; I322-F354 HydrophobicContact CG2-CZ 3.83Å; A330-F354 HydrophobicContact CB-CD1 4.16Å; A330-F354 HydrophobicContact CB-CD2 4.5Å; A330-F354 HydrophobicContact CB-CE1 3.48Å; A330-F354 VanDerWaalsContact CB-CE1 3.48Å; A330-F354 HydrophobicContact CB-CE2 3.9Å; A330-F354 HydrophobicContact CB-CZ 3.36Å; A330-F354 PolarHBondContact N-O 3.24Å; A330-F354 VanDerWaalsContact N-O 3.08Å; A330-F354 WeakPolarHBondContact O-CD1 3.29Å; A330-F354 PolarHBondContact O-N 2.94Å; A330-F354 VanDerWaalsContact O-O 3.06Å; E332-F354 HydrophobicContact CB-CE1 4.4Å; E332-F354 HydrophobicContact CG-CD1 3.61Å; E332-F354 HydrophobicContact CG-CE1 3.23Å; E332-F354 HydrophobicContact CG-CZ 4.07Å; F354-R358 HydrophobicContact CD2-CG 4.13Å |
| 355 | D | 61.6 | Low | 54.9 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.1 | 172.2 | -163.7 | -23.1 | 0 | 0 | 0 | 109.2 | S328 Y357 | S328-D355 CarbonylContact O-C 3.46Å; S328-D355 WeakPolarHBondContact O-CA 3.09Å; D355-Y357 PolarHBondContact O-N 3.48Å; D355-Y357 VanDerWaalsContact O-N 3.08Å; D355-Y357 WeakPolarHBondContact OD1-CD2 3.3Å; D355-Y357 PolarHBondContact OD1-N 3.17Å |
| 356 | N | 53.7 | Low | 53.9 | Low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -59.2 | -17.8 | 174.4 | -161.3 | 30 | 0 | 0 | 0 | 110.4 | F324 Q327 S328 R358 P363 Y364 E365 | F324-N356 WeakPolarHBondContact CE1-OD1 3.35Å; Q327-N356 WeakPolarHBondContact O-CB 3.22Å; Q327-N356 PolarHBondContact O-ND2 3.4Å; S328-N356 WeakPolarHBondContact O-CB 3.45Å; S328-N356 PolarHBondContact O-N 3.43Å; N356-R358 PolarHBondContact O-N 3.18Å; N356-P363 WeakPolarHBondContact ND2-CB 3.37Å; N356-P363 CarbonylContact O-C 3.57Å; N356-Y364 WeakPolarHBondContact O-CA 3.38Å; N356-Y364 WeakPolarHBondContact O-CB 3.37Å; N356-Y364 PolarHBondContact O-N 2.81Å; N356-Y364 WeakPolarHBondContact OD1-CB 3.23Å; N356-E365 PolarHBondContact OD1-N 3.28Å |
| 357 | Y | 42.6 | Very low | 52.6 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -94.2 | 70.3 | 171.8 | -55.9 | -82.5 | 0 | 0 | 0 | 111.3 | D355 G359 P363 | D355-Y357 PolarHBondContact O-N 3.48Å; D355-Y357 VanDerWaalsContact O-N 3.08Å; D355-Y357 WeakPolarHBondContact OD1-CD2 3.3Å; D355-Y357 PolarHBondContact OD1-N 3.17Å; Y357-G359 VanDerWaalsContact C-N 3.31Å; Y357-G359 PolarHBondContact O-N 3.36Å; Y357-P363 HydrophobicContact CD1-CB 4.27Å; Y357-P363 HydrophobicContact CE1-CB 3.81Å; Y357-P363 HydrophobicContact CE1-CG 4.22Å |
| 358 | R | 42.2 | Very low | 51.2 | Low | 131 Ų | 131 | 73.8 Ų | 73.8 | 49% | 0.494 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -67.9 | 89.5 | 172.9 | -82.2 | -164.3 | 176 | 163.1 | 10.1 | 110.6 | E332 F354 N356 S360 | E332-R358 IonicContact OE1-CZ 3.2Å; E332-R358 IonicContact OE1-NH1 3.44Å; E332-R358 PolarHBondContact OE1-NH1 2.94Å; E332-R358 IonicContact OE1-NH2 3.73Å; E332-R358 PolarHBondContact OE1-NH2 2.84Å; E332-R358 IonicContact OE2-NH2 3.41Å; F354-R358 HydrophobicContact CD2-CG 4.13Å; N356-R358 PolarHBondContact O-N 3.18Å; R358-S360 PolarHBondContact O-N 2.79Å |
| 359 | G | 41 | Very low | 49.6 | Very low | 90 Ų | 90 | 74.5 Ų | 74.5 | 93% | 0.928 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 67.6 | 4.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y357 | Y357-G359 VanDerWaalsContact C-N 3.31Å; Y357-G359 PolarHBondContact O-N 3.36Å |
| 360 | S | 35.1 | Very low | 47.6 | Very low | 49 Ų | 49 | 80.4 Ų | 80.4 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -131.5 | 150.5 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | R358 K362 I367 | R358-S360 PolarHBondContact O-N 2.79Å; S360-K362 PolarHBondContact O-N 2.84Å; S360-K362 VanDerWaalsContact O-N 3.12Å; S360-K362 PolarHBondContact OG-O 2.8Å; S360-I367 WeakPolarHBondContact OG-CD1 3.48Å |
| 361 | V | 37.9 | Very low | 45.4 | Very low | 147 Ų | 147 | 77.3 Ų | 77.3 | 89% | 0.891 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -67.3 | -10.9 | -176.7 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 362 | K | 35 | Very low | 42.8 | Very low | 139 Ų | 139 | 79.5 Ų | 79.5 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -100.7 | 138.8 | 178.2 | -66.9 | -177.7 | -179.2 | 177.2 | 0 | 110.3 | S360 I367 | S360-K362 PolarHBondContact O-N 2.84Å; S360-K362 VanDerWaalsContact O-N 3.12Å; S360-K362 PolarHBondContact OG-O 2.8Å; K362-I367 HydrophobicContact CB-CG1 4.5Å |
| 363 | P | 37.4 | Very low | 40.2 | Very low | 36 Ų | 36 | 78.9 Ų | 78.9 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | trans | -64.6 | 143.5 | 178.8 | 25.5 | -30.5 | 0 | 0 | 0 | 110.6 | N356 Y357 E365 G366 I367 | N356-P363 WeakPolarHBondContact ND2-CB 3.37Å; N356-P363 CarbonylContact O-C 3.57Å; Y357-P363 HydrophobicContact CD1-CB 4.27Å; Y357-P363 HydrophobicContact CE1-CB 3.81Å; Y357-P363 HydrophobicContact CE1-CG 4.22Å; P363-E365 PolarHBondContact O-N 2.86Å; P363-G366 VanDerWaalsContact O-CA 3.32Å; P363-G366 WeakPolarHBondContact O-CA 2.9Å; P363-G366 PolarHBondContact O-N 2.7Å; P363-I367 PolarHBondContact O-N 3.43Å; P363-I367 VanDerWaalsContact O-N 3.09Å | ||
| 364 | Y | 44.6 | Very low | 37.5 | Very low | 35 Ų | 35 | 76.5 Ų | 76.5 | 14% | 0.137 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55 | -35.6 | 177.3 | -176.5 | -84.7 | 0 | 0 | 0 | 110.8 | I322 F324 N356 G366 I367 E368 | I322-Y364 HydrophobicContact CD1-CE1 3.9Å; F324-Y364 HydrophobicContact CE1-CD1 4.16Å; F324-Y364 HydrophobicContact CZ-CD1 4.12Å; N356-Y364 WeakPolarHBondContact O-CA 3.38Å; N356-Y364 WeakPolarHBondContact O-CB 3.37Å; N356-Y364 PolarHBondContact O-N 2.81Å; N356-Y364 WeakPolarHBondContact OD1-CB 3.23Å; Y364-G366 VanDerWaalsContact C-N 3.3Å; Y364-G366 PolarHBondContact O-N 3.34Å; Y364-I367 PolarHBondContact O-N 2.99Å; Y364-E368 VanDerWaalsContact CE1-CD 3.47Å; Y364-E368 HydrophobicContact CE1-CG 4.17Å; Y364-E368 VanDerWaalsContact CE1-OE2 3.31Å; Y364-E368 WeakPolarHBondContact CE1-OE2 3.34Å; Y364-E368 VanDerWaalsContact CZ-OE1 3.32Å; Y364-E368 PolarHBondContact O-N 3.36Å; Y364-E368 PolarHBondContact OH-OE1 2.8Å |
| 365 | E | 44 | Very low | 35.2 | Very low | 36 Ų | 36 | 79 Ų | 79 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 168.7 | -175.7 | -175.4 | -154.7 | 0 | 0 | 113.2 | R310 F324 N356 P363 S369 | R310-E365 IonicContact CZ-OE1 2.91Å; R310-E365 IonicContact CZ-OE2 3.65Å; R310-E365 IonicContact NH1-OE1 3.53Å; R310-E365 PolarHBondContact NH1-OE1 2.81Å; R310-E365 VanDerWaalsContact NH1-OE1 3.09Å; R310-E365 IonicContact NH1-OE2 3.47Å; R310-E365 PolarHBondContact NH1-OE2 2.8Å; R310-E365 VanDerWaalsContact NH2-CD 3.31Å; R310-E365 IonicContact NH2-OE1 2.83Å; R310-E365 PolarHBondContact NH2-OE1 2.92Å; R310-E365 IonicContact NH2-OE2 3.18Å; R310-E365 PolarHBondContact NH2-OE2 2.77Å; F324-E365 HydrophobicContact CD1-CB 4.45Å; F324-E365 HydrophobicContact CE1-CB 4.21Å; N356-E365 PolarHBondContact OD1-N 3.28Å; P363-E365 PolarHBondContact O-N 2.86Å; E365-S369 WeakPolarHBondContact O-CB 3.38Å; E365-S369 PolarHBondContact O-N 2.85Å; E365-S369 VanDerWaalsContact O-N 3.14Å; E365-S369 PolarHBondContact O-OG 2.88Å |
| 366 | G | 35 | Very low | 33.4 | Very low | 18 Ų | 18 | 82.2 Ų | 82.2 | 19% | 0.186 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.2 | -35 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P363 Y364 S369 Q370 | P363-G366 VanDerWaalsContact O-CA 3.32Å; P363-G366 WeakPolarHBondContact O-CA 2.9Å; P363-G366 PolarHBondContact O-N 2.7Å; Y364-G366 VanDerWaalsContact C-N 3.3Å; Y364-G366 PolarHBondContact O-N 3.34Å; G366-S369 WeakPolarHBondContact CA-OG 3.3Å; G366-S369 PolarHBondContact O-OG 2.91Å; G366-Q370 WeakPolarHBondContact O-CB 3.35Å; G366-Q370 VanDerWaalsContact O-CG 3.25Å; G366-Q370 WeakPolarHBondContact O-CG 3.44Å; G366-Q370 PolarHBondContact O-N 3.12Å |
| 367 | I | 34.8 | Very low | 32 | Very low | 63 Ų | 63 | 86.4 Ų | 86.4 | 32% | 0.323 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 178.2 | -61.1 | 171.9 | 0 | 0 | 0 | 109.6 | S360 K362 P363 Y364 W371 | S360-I367 WeakPolarHBondContact OG-CD1 3.48Å; K362-I367 HydrophobicContact CB-CG1 4.5Å; P363-I367 PolarHBondContact O-N 3.43Å; P363-I367 VanDerWaalsContact O-N 3.09Å; Y364-I367 PolarHBondContact O-N 2.99Å; I367-W371 PolarHBondContact O-NE1 3.14Å |
| 368 | E | 31.1 | Very low | 31.2 | Very low | 62 Ų | 62 | 82.9 Ų | 82.9 | 29% | 0.29 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.7 | -25.9 | -176.3 | -72.6 | -170.1 | 161.8 | 0 | 0 | 114 | Y364 Q370 | Y364-E368 VanDerWaalsContact CE1-CD 3.47Å; Y364-E368 HydrophobicContact CE1-CG 4.17Å; Y364-E368 VanDerWaalsContact CE1-OE2 3.31Å; Y364-E368 WeakPolarHBondContact CE1-OE2 3.34Å; Y364-E368 VanDerWaalsContact CZ-OE1 3.32Å; Y364-E368 PolarHBondContact O-N 3.36Å; Y364-E368 PolarHBondContact OH-OE1 2.8Å; E368-Q370 VanDerWaalsContact C-N 3.29Å; E368-Q370 PolarHBondContact O-N 2.81Å |
| 369 | S | 28.2 | Very low | 30.5 | Very low | 77 Ų | 77 | 81.3 Ų | 81.3 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74 | -16.8 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | E365 G366 | E365-S369 WeakPolarHBondContact O-CB 3.38Å; E365-S369 PolarHBondContact O-N 2.85Å; E365-S369 VanDerWaalsContact O-N 3.14Å; E365-S369 PolarHBondContact O-OG 2.88Å; G366-S369 WeakPolarHBondContact CA-OG 3.3Å; G366-S369 PolarHBondContact O-OG 2.91Å |
| 370 | Q | 23.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 77.8 Ų | 77.8 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 9.1 | -177.5 | -71.6 | -176.5 | -2.7 | 0 | 0 | 114.5 | G366 E368 P372 | G366-Q370 WeakPolarHBondContact O-CB 3.35Å; G366-Q370 VanDerWaalsContact O-CG 3.25Å; G366-Q370 WeakPolarHBondContact O-CG 3.44Å; G366-Q370 PolarHBondContact O-N 3.12Å; E368-Q370 VanDerWaalsContact C-N 3.29Å; E368-Q370 PolarHBondContact O-N 2.81Å; Q370-P372 VanDerWaalsContact C-CD 3.5Å; Q370-P372 WeakPolarHBondContact O-CD 3.27Å |
| 371 | W | 23.3 | Very low | 29.5 | Very low | 124 Ų | 124 | 76.5 Ų | 76.5 | 47% | 0.47 | 38% | 0.379 | S | S | . | . | trans | -91.9 | 94.8 | 173.9 | -63 | 78.6 | 0 | 0 | 0 | 111.1 | I367 R379 I735 | I367-W371 PolarHBondContact O-NE1 3.14Å; W371-R379 PolarHBondContact O-NH2 3.24Å; W371-I735 HydrophobicContact CH2-CD1 3.5Å; W371-I735 VanDerWaalsContact CH2-CD1 3.5Å; W371-I735 HydrophobicContact CH2-CG1 4.11Å; W371-I735 HydrophobicContact CZ2-CD1 4.34Å; W371-I735 HydrophobicContact CZ3-CD1 4.28Å; W371-I735 HydrophobicContact CZ3-CG1 4.42Å | ||
| 372 | P | 21.8 | Very low | 28.9 | Very low | 66 Ų | 66 | 72.5 Ų | 72.5 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | trans | -61.9 | 142.4 | 151.6 | 33.7 | -34.2 | 0 | 0 | 0 | 105.5 | Q370 S429 | Q370-P372 VanDerWaalsContact C-CD 3.5Å; Q370-P372 WeakPolarHBondContact O-CD 3.27Å; P372-S429 VanDerWaalsContact CB-OG 3.28Å; P372-S429 WeakPolarHBondContact CB-OG 3.46Å; P372-S429 WeakPolarHBondContact CG-OG 3.44Å | ||
| 373 | F | 21.9 | Very low | 28.4 | Very low | 77 Ų | 77 | 69.9 Ų | 69.9 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 114.1 | -13.7 | 157.5 | -41.4 | -118.3 | 0 | 0 | 0 | 121.6 | I430 Y432 | F373-I430 VanDerWaalsContact CD2-O 3.23Å; F373-I430 WeakPolarHBondContact CD2-O 3.41Å; F373-I430 WeakPolarHBondContact CE2-O 3.5Å; F373-I430 WeakPolarHBondContact CZ-O 3.29Å; F373-Y432 VanDerWaalsContact CA-CE2 3.48Å; F373-Y432 WeakPolarHBondContact CA-OH 3.49Å; F373-Y432 HydrophobicContact CB-CD2 4.44Å; F373-Y432 HydrophobicContact CB-CE2 3.66Å; F373-Y432 WeakPolarHBondContact CB-OH 3.16Å; F373-Y432 AromaticContact CD1-CD1 3.47Å; F373-Y432 HydrophobicContact CD1-CD1 3.47Å; F373-Y432 VanDerWaalsContact CD1-CD1 3.47Å; F373-Y432 AromaticContact CD1-CD2 3.81Å; F373-Y432 HydrophobicContact CD1-CD2 3.81Å; F373-Y432 AromaticContact CD1-CE1 2.95Å; F373-Y432 HydrophobicContact CD1-CE1 2.95Å; F373-Y432 AromaticContact CD1-CE2 3.4Å; F373-Y432 HydrophobicContact CD1-CE2 3.4Å; F373-Y432 AromaticContact CD1-CG 3.82Å; F373-Y432 HydrophobicContact CD1-CG 3.82Å; F373-Y432 AromaticContact CD1-CZ 2.83Å; F373-Y432 WeakPolarHBondContact CD1-OH 3.15Å; F373-Y432 HydrophobicContact CD2-CD1 4.05Å; F373-Y432 AromaticContact CD2-CD2 2.97Å; F373-Y432 HydrophobicContact CD2-CD2 2.97Å; F373-Y432 HydrophobicContact CD2-CE1 4.08Å; F373-Y432 AromaticContact CD2-CE2 3.08Å; F373-Y432 HydrophobicContact CD2-CE2 3.08Å; F373-Y432 AromaticContact CD2-CG 3.48Å; F373-Y432 HydrophobicContact CD2-CG 3.48Å; F373-Y432 VanDerWaalsContact CD2-CG 3.48Å; F373-Y432 AromaticContact CD2-CZ 3.57Å; F373-Y432 AromaticContact CE1-CD1 2.93Å; F373-Y432 HydrophobicContact CE1-CD1 2.93Å; F373-Y432 AromaticContact CE1-CD2 3.83Å; F373-Y432 HydrophobicContact CE1-CD2 3.83Å; F373-Y432 AromaticContact CE1-CE1 2.93Å; F373-Y432 HydrophobicContact CE1-CE1 2.93Å; F373-Y432 AromaticContact CE1-CE2 3.87Å; F373-Y432 HydrophobicContact CE1-CE2 3.87Å; F373-Y432 AromaticContact CE1-CG 3.36Å; F373-Y432 HydrophobicContact CE1-CG 3.36Å; F373-Y432 AromaticContact CE1-CZ 3.37Å; F373-Y432 AromaticContact CE2-CD1 3.61Å; F373-Y432 HydrophobicContact CE2-CD1 3.61Å; F373-Y432 AromaticContact CE2-CD2 3Å; F373-Y432 HydrophobicContact CE2-CD2 3Å; F373-Y432 HydrophobicContact CE2-CE1 4.07Å; F373-Y432 AromaticContact CE2-CE2 3.59Å; F373-Y432 HydrophobicContact CE2-CE2 3.59Å; F373-Y432 AromaticContact CE2-CG 2.97Å; F373-Y432 HydrophobicContact CE2-CG 2.97Å; F373-Y432 HydrophobicContact CG-CD1 4Å; F373-Y432 AromaticContact CG-CD2 3.41Å; F373-Y432 HydrophobicContact CG-CD2 3.41Å; F373-Y432 VanDerWaalsContact CG-CD2 3.41Å; F373-Y432 AromaticContact CG-CE1 3.58Å; F373-Y432 HydrophobicContact CG-CE1 3.58Å; F373-Y432 AromaticContact CG-CE2 2.97Å; F373-Y432 HydrophobicContact CG-CE2 2.97Å; F373-Y432 AromaticContact CG-CG 3.88Å; F373-Y432 HydrophobicContact CG-CG 3.88Å; F373-Y432 AromaticContact CG-CZ 2.96Å; F373-Y432 VanDerWaalsContact CG-OH 3.24Å; F373-Y432 WeakPolarHBondContact CG-OH 3.35Å; F373-Y432 VanDerWaalsContact CZ-CB 3.4Å; F373-Y432 AromaticContact CZ-CD1 3.07Å; F373-Y432 HydrophobicContact CZ-CD1 3.07Å; F373-Y432 AromaticContact CZ-CD2 3.5Å; F373-Y432 HydrophobicContact CZ-CD2 3.5Å; F373-Y432 VanDerWaalsContact CZ-CD2 3.5Å; F373-Y432 AromaticContact CZ-CE1 3.58Å; F373-Y432 HydrophobicContact CZ-CE1 3.58Å; F373-Y432 HydrophobicContact CZ-CE2 4Å; F373-Y432 AromaticContact CZ-CG 2.95Å; F373-Y432 HydrophobicContact CZ-CG 2.95Å; F373-Y432 AromaticContact CZ-CZ 3.96Å; F373-Y432 PolarHBondContact O-OH 3.41Å; F373-Y432 VanDerWaalsContact O-OH 3.04Å |
| 374 | Q | 22.1 | Very low | 27.7 | Very low | 125 Ų | 125 | 71.7 Ų | 71.7 | 58% | 0.584 | 35% | 0.353 | S | S | * | . | trans | -136.5 | 121.5 | -179.3 | -74.4 | -168.5 | -1.3 | 0 | 0 | 115.4 | R376 Y432 | Q374-R376 PolarHBondContact O-N 3.29Å; Q374-Y432 PolarHBondContact N-OH 2.74Å | ||
| 375 | L | 22.7 | Very low | 26.8 | Very low | 73 Ų | 73 | 72.9 Ų | 72.9 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | trans | -68.5 | 77.3 | 174 | -64.1 | 161.1 | 0 | 0 | 0 | 109.5 | Y453 Y458 | L375-Y453 HydrophobicContact CD1-CE1 4.44Å; L375-Y453 WeakPolarHBondContact CD1-OH 3.46Å; L375-Y453 HydrophobicContact CD2-CE1 4.29Å; L375-Y453 WeakPolarHBondContact CD2-OH 3.36Å; L375-Y453 WeakPolarHBondContact CG-OH 3.4Å; L375-Y458 HydrophobicContact CD1-CE2 4.27Å; L375-Y458 WeakPolarHBondContact CD1-OH 3.4Å | ||
| 376 | R | 23 | Very low | 25.9 | Very low | 155 Ų | 155 | 77.5 Ų | 77.5 | 59% | 0.585 | 39% | 0.386 | S | S | * | . | trans | -96.7 | 116.2 | 159.6 | -73 | -170.6 | 178.2 | 174.8 | 6.1 | 107.3 | Q374 | Q374-R376 PolarHBondContact O-N 3.29Š| ||
| 377 | N | 25.4 | Very low | 25.4 | Very low | 88 Ų | 88 | 83.2 Ų | 83.2 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -32.5 | 132.9 | 171.2 | -70.9 | -17.9 | 0 | 0 | 0 | 110.9 | A316 | A316-N377 HydrophobicContact CB-CB 3.08Å; A316-N377 WeakPolarHBondContact CB-O 3.36Å; A316-N377 PolarHBondContact N-O 3.31Å |
| 378 | G | 25.5 | Very low | 24.9 | Very low | 11 Ų | 11 | 84.8 Ų | 84.8 | 11% | 0.113 | 42% | 0.418 | C | S | . | . | trans | 80.9 | 104.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S261 Y314 | S261-G378 PolarHBondContact O-N 3.49Å; Y314-G378 CarbonylContact O-C 3.52Å; Y314-G378 VanDerWaalsContact O-C 3.27Å; Y314-G378 VanDerWaalsContact O-CA 3.3Å; Y314-G378 WeakPolarHBondContact O-CA 3.29Å | ||
| 379 | R | 26.7 | Very low | 24.6 | Very low | 98 Ų | 98 | 84.7 Ų | 84.7 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | trans | -136.7 | 134.4 | 162.8 | -80.2 | -171.6 | 171.4 | -166.9 | -8 | 109.3 | L260 W371 | L260-R379 VanDerWaalsContact CD2-O 3.24Å; L260-R379 WeakPolarHBondContact CD2-O 3.34Å; W371-R379 PolarHBondContact O-NH2 3.24Å | ||
| 380 | T | 26.5 | Very low | 24.4 | Very low | 15 Ų | 15 | 86.6 Ų | 86.6 | 9% | 0.092 | 43% | 0.425 | C | S | . | . | trans | -50.3 | 141.4 | 170 | -33.3 | 0 | 0 | 0 | 0 | 115.1 | Y258 L260 K311 V312 D313 | Y258-T380 HydrophobicContact CD1-CG2 3.22Å; Y258-T380 HydrophobicContact CE1-CG2 3.34Å; Y258-T380 HydrophobicContact CG-CG2 4.45Å; L260-T380 VanDerWaalsContact CD2-N 3.34Å; K311-T380 HydrophobicContact CG-CG2 3.94Å; V312-T380 WeakPolarHBondContact O-CB 3.35Å; V312-T380 WeakPolarHBondContact O-CG2 3.43Å; V312-T380 PolarHBondContact O-OG1 3.13Å; D313-T380 WeakPolarHBondContact CA-OG1 3.17Å; D313-T380 WeakPolarHBondContact CB-OG1 3.4Å; D313-T380 PolarHBondContact OD1-N 3.4Å; D313-T380 PolarHBondContact OD1-OG1 2.86Å; D313-T380 PolarHBondContact OD2-OG1 3.48Å | ||
| 381 | L | 29.1 | Very low | 24.5 | Very low | 22 Ų | 22 | 86.3 Ų | 86.3 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | trans | -111.5 | 97.6 | 159.4 | -74.7 | 152.4 | 0 | 0 | 0 | 109.4 | Y258 M436 T445 S447 | Y258-L381 WeakPolarHBondContact CD1-O 3.43Å; Y258-L381 WeakPolarHBondContact CE1-O 3.39Å; L381-M436 HydrophobicContact CD2-SD 4.33Å; L381-T445 HydrophobicContact CB-CG2 3.83Å; L381-T445 HydrophobicContact CD1-CG2 3.23Å; L381-T445 HydrophobicContact CD2-CG2 4.37Å; L381-T445 HydrophobicContact CG-CG2 3.96Å; L381-S447 VanDerWaalsContact CD1-OG 3.24Å; L381-S447 WeakPolarHBondContact CD1-OG 3.33Å | ||
| 382 | S | 25.3 | Very low | 24.6 | Very low | 64 Ų | 64 | 87.8 Ų | 87.8 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | trans | -78.1 | 132.1 | 173.4 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | K311 | K311-S382 WeakPolarHBondContact CD-OG 3.5Å; K311-S382 WeakPolarHBondContact CE-OG 2.8Å; K311-S382 WeakPolarHBondContact CG-OG 2.75Å | ||
| 383 | Y | 24.1 | Very low | 24.7 | Very low | 83 Ų | 83 | 90.2 Ų | 90.2 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | trans | -131.8 | 110 | 165.9 | -179.6 | -95.8 | 0 | 0 | 0 | 108.6 | E256 | E256-Y383 WeakPolarHBondContact CG-O 3.34Š| ||
| 384 | N | 23.4 | Very low | 24.7 | Very low | 74 Ų | 74 | 94.5 Ų | 94.5 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | trans | -114.7 | 101.9 | 168.4 | -173.9 | -10.8 | 0 | 0 | 0 | 108 | K386 F387 | N384-K386 PolarHBondContact O-N 3Å; N384-K386 VanDerWaalsContact O-N 3.16Å; N384-K386 WeakPolarHBondContact OD1-CB 3.15Å; N384-K386 PolarHBondContact OD1-N 3.13Å; N384-F387 PolarHBondContact O-N 3.17Å | ||
| 385 | S | 24.2 | Very low | 24.8 | Very low | 60 Ų | 60 | 96 Ų | 96 | 42% | 0.42 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.1 | 177.6 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | F387 V388 | S385-F387 VanDerWaalsContact C-N 3.27Å; S385-F387 PolarHBondContact O-N 3.44Å; S385-V388 PolarHBondContact O-N 3.29Å |
| 386 | K | 26.5 | Very low | 24.9 | Very low | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.8 | -24.2 | -174.8 | -132.1 | -179.8 | -169.6 | -169.8 | 0 | 113.4 | N384 V388 S389 E390 | N384-K386 PolarHBondContact O-N 3Å; N384-K386 VanDerWaalsContact O-N 3.16Å; N384-K386 WeakPolarHBondContact OD1-CB 3.15Å; N384-K386 PolarHBondContact OD1-N 3.13Å; K386-V388 VanDerWaalsContact C-N 3.31Å; K386-V388 PolarHBondContact O-N 2.75Å; K386-S389 PolarHBondContact O-N 2.85Å; K386-S389 PolarHBondContact O-OG 3.05Å; K386-E390 PolarHBondContact O-N 2.81Å; K386-E390 VanDerWaalsContact O-N 3.15Å |
| 387 | F | 24.2 | Very low | 25 | Very low | 137 Ų | 137 | 98.9 Ų | 98.9 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -73.5 | -19.1 | 178.4 | -96 | -80.2 | 0 | 0 | 0 | 114.1 | N384 S385 L391 | N384-F387 PolarHBondContact O-N 3.17Å; S385-F387 VanDerWaalsContact C-N 3.27Å; S385-F387 PolarHBondContact O-N 3.44Å; F387-L391 PolarHBondContact O-N 3.35Å |
| 388 | V | 24 | Very low | 24.9 | Very low | 97 Ų | 97 | 99.7 Ų | 99.7 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -81.6 | -30.7 | 172.9 | -178.6 | 0 | 0 | 0 | 0 | 111 | S385 K386 | S385-V388 PolarHBondContact O-N 3.29Å; K386-V388 VanDerWaalsContact C-N 3.31Å; K386-V388 PolarHBondContact O-N 2.75Å |
| 389 | S | 25.3 | Very low | 24.8 | Very low | 60 Ų | 60 | 107.3 Ų | 107.3 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.4 | -33.1 | 175.3 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | K386 L393 | K386-S389 PolarHBondContact O-N 2.85Å; K386-S389 PolarHBondContact O-OG 3.05Å; S389-L393 PolarHBondContact O-N 3.09Å; S389-L393 VanDerWaalsContact O-N 3.08Å |
| 390 | E | 23.8 | Very low | 24.8 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -80.9 | -30.4 | -179.3 | -74.7 | -167.6 | -176.2 | 0 | 0 | 113.8 | K386 F392 L393 F394 | K386-E390 PolarHBondContact O-N 2.81Å; K386-E390 VanDerWaalsContact O-N 3.15Å; E390-F392 VanDerWaalsContact C-N 3.27Å; E390-F392 PolarHBondContact O-N 3.25Å; E390-L393 PolarHBondContact O-N 2.99Å; E390-F394 PolarHBondContact O-N 3.2Å; E390-F394 VanDerWaalsContact O-N 3.14Å |
| 391 | L | 25.2 | Very low | 24.7 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.9 | -24.7 | 171.3 | -122.1 | 94 | 0 | 0 | 0 | 112.7 | F387 | F387-L391 PolarHBondContact O-N 3.35Å |
| 392 | F | 25.7 | Very low | 24.4 | Very low | 155 Ų | 155 | 125 Ų | 125 | 68% | 0.68 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.9 | -17.6 | 172.8 | -96 | -83.9 | 0 | 0 | 0 | 114.1 | E390 | E390-F392 VanDerWaalsContact C-N 3.27Å; E390-F392 PolarHBondContact O-N 3.25Å |
| 393 | L | 24.3 | Very low | 24.3 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -88.1 | -21.8 | 172.4 | -108.2 | 96 | 0 | 0 | 0 | 114.2 | S389 E390 Q395 F396 | S389-L393 PolarHBondContact O-N 3.09Å; S389-L393 VanDerWaalsContact O-N 3.08Å; E390-L393 PolarHBondContact O-N 2.99Å; L393-Q395 PolarHBondContact O-N 3.5Å; L393-F396 PolarHBondContact O-N 3.27Å; L393-F396 VanDerWaalsContact O-N 3.13Å |
| 394 | F | 21.8 | Very low | 24.3 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 74% | 0.737 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -9 | 174.1 | -114.7 | -84.8 | 0 | 0 | 0 | 114.1 | E390 | E390-F394 PolarHBondContact O-N 3.2Å; E390-F394 VanDerWaalsContact O-N 3.14Å |
| 395 | Q | 24.6 | Very low | 24.5 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 4.7 | 171.3 | -146.7 | 163.9 | -0.4 | 0 | 0 | 114 | L393 | L393-Q395 PolarHBondContact O-N 3.5Š|
| 396 | F | 24.3 | Very low | 24.5 | Very low | 178 Ų | 178 | 141 Ų | 141 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -118.2 | 2.1 | 174.5 | -112.5 | -83.9 | 0 | 0 | 0 | 116.3 | L393 | L393-F396 PolarHBondContact O-N 3.27Å; L393-F396 VanDerWaalsContact O-N 3.13Å |
| 397 | V | 24.4 | Very low | 24.3 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -107 | -13.1 | 177 | -177.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 398 | C | 23.7 | Very low | 24.2 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 3.7 | 172.3 | -69.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 399 | H | 24.3 | Very low | 24.1 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 21.2 | 179.2 | -136.3 | 64.7 | 0 | 0 | 0 | 115.1 | ||
| 400 | K | 25.6 | Very low | 24 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -135.1 | 13.2 | 175.6 | -128.6 | -179.9 | -174.1 | -178.4 | 0 | 117.4 | ||
| 401 | I | 24.1 | Very low | 23.9 | Very low | 138 Ų | 138 | 156.7 Ų | 156.7 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -135.4 | 89.1 | 169.6 | -53.8 | 177.6 | 0 | 0 | 0 | 107.4 | ||
| 402 | H | 24 | Very low | 23.8 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | 168 | 41.9 | 147.7 | -84.3 | -57.8 | 0 | 0 | 0 | 110.3 | M404 | H402-M404 PolarHBondContact O-N 3.35Å; H402-M404 VanDerWaalsContact O-N 3.13Å | ||
| 403 | T | 22.8 | Very low | 23.6 | Very low | 134 Ų | 134 | 156 Ų | 156 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -71.1 | 88.4 | 142.9 | 46.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 404 | M | 23.2 | Very low | 23.4 | Very low | 159 Ų | 159 | 158.1 Ų | 158.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -155.1 | 114.1 | 150.3 | -91.5 | -119.3 | 178.6 | 0 | 0 | 109.1 | H402 | H402-M404 PolarHBondContact O-N 3.35Å; H402-M404 VanDerWaalsContact O-N 3.13Å | ||
| 405 | P | 28.8 | Very low | 23.4 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -82.7 | 122.1 | -177 | 32.3 | -29.9 | 0 | 0 | 0 | 109.4 | ||||
| 406 | K | 24.6 | Very low | 23.3 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -133 | 101.4 | 163.8 | -80.4 | -169 | 178.2 | 176.9 | 0 | 111.6 | ||||
| 407 | K | 22.3 | Very low | 23.2 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 8.6 | 123.5 | 142 | -76.2 | 177 | 173.5 | 176 | 0 | 117.7 | ||||
| 408 | R | 20.8 | Very low | 23.1 | Very low | 244 Ų | 244 | 150.8 Ų | 150.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | 47.8 | 136.5 | 126.8 | -90.9 | -175.6 | 177 | 170.4 | 0 | 119.7 | |||||
| 409 | S | 22.2 | Very low | 23 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 81.6 | 138.6 | 151.3 | -143.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 410 | S | 22.8 | Very low | 22.9 | Very low | 89 Ų | 89 | 152.4 Ų | 152.4 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | cis | 174.3 | 156.9 | -9.9 | 43.6 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 411 | R | 22.1 | Very low | 22.6 | Very low | 226 Ų | 226 | 151.7 Ų | 151.7 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 78.9 | 106.6 | 147.9 | -96.5 | 179.6 | -177.8 | 174.3 | 0.8 | 118.4 | ||||
| 412 | T | 22.4 | Very low | 22.5 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | 88 | 129.7 | 118.3 | 36.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 413 | K | 21.8 | Very low | 22.4 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 80.9 | 109.6 | 132.8 | -79.5 | -179.2 | 176.9 | -172.8 | 0 | 115.5 | ||||
| 414 | Q | 21.9 | Very low | 22.8 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | 109.9 | 156.8 | 73 | -104.2 | -178.1 | -37.6 | 0 | 0 | 109 | |||||
| 415 | S | 21.6 | Very low | 22.8 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 92.4 | 96.7 | 165 | 83.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 416 | S | 21 | Very low | 22.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | 79.2 | 115.6 | 77.3 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 417 | G | 22.5 | Very low | 22.4 | Very low | 75 Ų | 75 | 132.9 Ų | 132.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -175.9 | 79.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 418 | N | 23 | Very low | 22.6 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -44.3 | 138.5 | 168.8 | -76.9 | -38.2 | 0 | 0 | 0 | 113.3 | ||||
| 419 | T | 22 | Very low | 22.7 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -167.6 | 99.1 | 136.5 | 8.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 420 | K | 21.2 | Very low | 22.9 | Very low | 175 Ų | 175 | 120.2 Ų | 120.2 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | 60.1 | 117.4 | 79.5 | -96.2 | -168.6 | 178.6 | 179.8 | 0 | 114.9 | |||||
| 421 | F | 20.7 | Very low | 23 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | 73.7 | 145.1 | 151.5 | -78.9 | -105 | 0 | 0 | 0 | 118.1 | ||||
| 422 | C | 20.9 | Very low | 23.1 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | cis | 176 | 109.8 | -23.9 | -108.1 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 423 | G | 21 | Very low | 23.3 | Very low | 80 Ų | 80 | 117.7 Ų | 117.7 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | trans | 58 | 178.5 | 163 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 424 | N | 31.8 | Very low | 23.5 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 57% | 0.567 | 66% | 0.662 | S | S | * | * | cis | -168 | 130.2 | -12.5 | -162 | -6.2 | 0 | 0 | 0 | 103.5 | N426 N743 | N424-N426 PolarHBondContact OD1-N 3.47Å; N424-N743 PolarHBondContact ND2-ND2 3.43Å; N424-N743 PolarHBondContact ND2-OD1 3.41Å; N424-N743 PolarHBondContact OD1-OD1 3.16Å | ||
| 425 | P | 23.2 | Very low | 23.8 | Very low | 99 Ų | 99 | 111 Ų | 111 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | -145.7 | 110.2 | 125.5 | 29.8 | -10.8 | 0 | 0 | 0 | 111.2 | Q427 | P425-Q427 PolarHBondContact O-N 2.87Š| |||
| 426 | N | 24.1 | Very low | 24 | Very low | 58 Ų | 58 | 112.4 Ų | 112.4 | 31% | 0.31 | 64% | 0.638 | S | S | . | * | trans | -50.8 | 123.3 | 155.4 | -89.4 | -24.9 | 0 | 0 | 0 | 112.4 | N424 E739 M742 N743 | N424-N426 PolarHBondContact OD1-N 3.47Å; N426-E739 CarbonylContact O-C 3.6Å; N426-E739 VanDerWaalsContact O-C 3.27Å; N426-E739 WeakPolarHBondContact O-CA 3.46Å; N426-E739 WeakPolarHBondContact O-CB 3.48Å; N426-M742 HydrophobicContact CB-CB 3.46Å; N426-M742 VanDerWaalsContact CB-CB 3.46Å; N426-M742 HydrophobicContact CB-CE 3.75Å; N426-M742 HydrophobicContact CB-SD 4.36Å; N426-M742 PolarHBondContact ND2-O 3.14Å; N426-N743 WeakPolarHBondContact CB-OD1 3.13Å; N426-N743 WeakPolarHBondContact ND2-CA 3.46Å; N426-N743 PolarHBondContact ND2-N 3.28Å; N426-N743 PolarHBondContact ND2-OD1 3.46Å | ||
| 427 | Q | 22.2 | Very low | 24.4 | Very low | 90 Ų | 90 | 108.5 Ų | 108.5 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | trans | -144.4 | 124.9 | 137.9 | -140.7 | 179.3 | 47.5 | 0 | 0 | 108.9 | P425 I735 V738 E739 M742 | P425-Q427 PolarHBondContact O-N 2.87Å; Q427-I735 PolarHBondContact NE2-O 2.72Å; Q427-V738 HydrophobicContact CG-CG1 4.21Å; Q427-E739 HydrophobicContact CB-CB 4.4Å; Q427-E739 HydrophobicContact CB-CG 3.72Å; Q427-E739 HydrophobicContact CG-CB 4.27Å; Q427-E739 HydrophobicContact CG-CG 3.54Å; Q427-E739 PolarHBondContact OE1-OE1 3.35Å; Q427-M742 VanDerWaalsContact CA-SD 3.52Å; Q427-M742 HydrophobicContact CG-SD 4.49Å | ||
| 428 | S | 26.3 | Very low | 24.7 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | trans | -113.9 | 121 | 178.6 | 65.4 | 0 | 0 | 0 | 0 | 106.8 | M742 | S428-M742 PolarHBondContact N-SD 3.29Å; S428-M742 WeakPolarHBondContact OG-CE 3.45Å; S428-M742 PolarHBondContact OG-SD 2.79Å | ||
| 429 | S | 21.4 | Very low | 25 | Very low | 63 Ų | 63 | 104 Ų | 104 | 44% | 0.441 | 57% | 0.565 | S | S | . | * | trans | -122.6 | 132.7 | 160.8 | 52.6 | 0 | 0 | 0 | 0 | 107.8 | P372 | P372-S429 VanDerWaalsContact CB-OG 3.28Å; P372-S429 WeakPolarHBondContact CB-OG 3.46Å; P372-S429 WeakPolarHBondContact CG-OG 3.44Å | ||
| 430 | I | 26.5 | Very low | 25.5 | Very low | 147 Ų | 147 | 98.3 Ų | 98.3 | 75% | 0.754 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 140.2 | -179.8 | -64 | 168 | 0 | 0 | 0 | 108.5 | F373 | F373-I430 VanDerWaalsContact CD2-O 3.23Å; F373-I430 WeakPolarHBondContact CD2-O 3.41Å; F373-I430 WeakPolarHBondContact CE2-O 3.5Å; F373-I430 WeakPolarHBondContact CZ-O 3.29Å |
| 431 | P | 25.4 | Very low | 26.3 | Very low | 112 Ų | 112 | 95.9 Ų | 95.9 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 139.9 | -156.9 | 34.6 | -34.6 | 0 | 0 | 0 | 115.7 | K433 | P431-K433 PolarHBondContact O-N 3.21Š|
| 432 | Y | 23.9 | Very low | 27.2 | Very low | 83 Ų | 83 | 89.9 Ų | 89.9 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 118 | -175 | -88.2 | -61.6 | 0 | 0 | 0 | 103.6 | F373 Q374 K434 | F373-Y432 VanDerWaalsContact CA-CE2 3.48Å; F373-Y432 WeakPolarHBondContact CA-OH 3.49Å; F373-Y432 HydrophobicContact CB-CD2 4.44Å; F373-Y432 HydrophobicContact CB-CE2 3.66Å; F373-Y432 WeakPolarHBondContact CB-OH 3.16Å; F373-Y432 AromaticContact CD1-CD1 3.47Å; F373-Y432 HydrophobicContact CD1-CD1 3.47Å; F373-Y432 VanDerWaalsContact CD1-CD1 3.47Å; F373-Y432 AromaticContact CD1-CD2 3.81Å; F373-Y432 HydrophobicContact CD1-CD2 3.81Å; F373-Y432 AromaticContact CD1-CE1 2.95Å; F373-Y432 HydrophobicContact CD1-CE1 2.95Å; F373-Y432 AromaticContact CD1-CE2 3.4Å; F373-Y432 HydrophobicContact CD1-CE2 3.4Å; F373-Y432 AromaticContact CD1-CG 3.82Å; F373-Y432 HydrophobicContact CD1-CG 3.82Å; F373-Y432 AromaticContact CD1-CZ 2.83Å; F373-Y432 WeakPolarHBondContact CD1-OH 3.15Å; F373-Y432 HydrophobicContact CD2-CD1 4.05Å; F373-Y432 AromaticContact CD2-CD2 2.97Å; F373-Y432 HydrophobicContact CD2-CD2 2.97Å; F373-Y432 HydrophobicContact CD2-CE1 4.08Å; F373-Y432 AromaticContact CD2-CE2 3.08Å; F373-Y432 HydrophobicContact CD2-CE2 3.08Å; F373-Y432 AromaticContact CD2-CG 3.48Å; F373-Y432 HydrophobicContact CD2-CG 3.48Å; F373-Y432 VanDerWaalsContact CD2-CG 3.48Å; F373-Y432 AromaticContact CD2-CZ 3.57Å; F373-Y432 AromaticContact CE1-CD1 2.93Å; F373-Y432 HydrophobicContact CE1-CD1 2.93Å; F373-Y432 AromaticContact CE1-CD2 3.83Å; F373-Y432 HydrophobicContact CE1-CD2 3.83Å; F373-Y432 AromaticContact CE1-CE1 2.93Å; F373-Y432 HydrophobicContact CE1-CE1 2.93Å; F373-Y432 AromaticContact CE1-CE2 3.87Å; F373-Y432 HydrophobicContact CE1-CE2 3.87Å; F373-Y432 AromaticContact CE1-CG 3.36Å; F373-Y432 HydrophobicContact CE1-CG 3.36Å; F373-Y432 AromaticContact CE1-CZ 3.37Å; F373-Y432 AromaticContact CE2-CD1 3.61Å; F373-Y432 HydrophobicContact CE2-CD1 3.61Å; F373-Y432 AromaticContact CE2-CD2 3Å; F373-Y432 HydrophobicContact CE2-CD2 3Å; F373-Y432 HydrophobicContact CE2-CE1 4.07Å; F373-Y432 AromaticContact CE2-CE2 3.59Å; F373-Y432 HydrophobicContact CE2-CE2 3.59Å; F373-Y432 AromaticContact CE2-CG 2.97Å; F373-Y432 HydrophobicContact CE2-CG 2.97Å; F373-Y432 HydrophobicContact CG-CD1 4Å; F373-Y432 AromaticContact CG-CD2 3.41Å; F373-Y432 HydrophobicContact CG-CD2 3.41Å; F373-Y432 VanDerWaalsContact CG-CD2 3.41Å; F373-Y432 AromaticContact CG-CE1 3.58Å; F373-Y432 HydrophobicContact CG-CE1 3.58Å; F373-Y432 AromaticContact CG-CE2 2.97Å; F373-Y432 HydrophobicContact CG-CE2 2.97Å; F373-Y432 AromaticContact CG-CG 3.88Å; F373-Y432 HydrophobicContact CG-CG 3.88Å; F373-Y432 AromaticContact CG-CZ 2.96Å; F373-Y432 VanDerWaalsContact CG-OH 3.24Å; F373-Y432 WeakPolarHBondContact CG-OH 3.35Å; F373-Y432 VanDerWaalsContact CZ-CB 3.4Å; F373-Y432 AromaticContact CZ-CD1 3.07Å; F373-Y432 HydrophobicContact CZ-CD1 3.07Å; F373-Y432 AromaticContact CZ-CD2 3.5Å; F373-Y432 HydrophobicContact CZ-CD2 3.5Å; F373-Y432 VanDerWaalsContact CZ-CD2 3.5Å; F373-Y432 AromaticContact CZ-CE1 3.58Å; F373-Y432 HydrophobicContact CZ-CE1 3.58Å; F373-Y432 HydrophobicContact CZ-CE2 4Å; F373-Y432 AromaticContact CZ-CG 2.95Å; F373-Y432 HydrophobicContact CZ-CG 2.95Å; F373-Y432 AromaticContact CZ-CZ 3.96Å; F373-Y432 PolarHBondContact O-OH 3.41Å; F373-Y432 VanDerWaalsContact O-OH 3.04Å; Q374-Y432 PolarHBondContact N-OH 2.74Å; Y432-K434 PolarHBondContact O-N 2.82Å |
| 433 | K | 26.6 | Very low | 28 | Very low | 175 Ų | 175 | 85 Ų | 85 | 76% | 0.761 | 47% | 0.468 | S | S | * | . | trans | -80.8 | 70.5 | 166.6 | -132.5 | 176 | -173.4 | 174.1 | 0 | 108.7 | P431 I435 | P431-K433 PolarHBondContact O-N 3.21Å; K433-I435 HydrophobicContact CB-CG1 4.43Å; K433-I435 HydrophobicContact CD-CD1 4.46Å; K433-I435 HydrophobicContact CD-CG1 4.37Å; K433-I435 HydrophobicContact CG-CG1 4.02Å; K433-I435 PolarHBondContact O-N 3.35Å | ||
| 434 | K | 25.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 83.5 Ų | 83.5 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | trans | -62.6 | 93.9 | 154.7 | -127.8 | -171.9 | -174 | -171.3 | 0 | 105.1 | Y432 M436 | Y432-K434 PolarHBondContact O-N 2.82Å; K434-M436 PolarHBondContact O-N 2.93Å | ||
| 435 | I | 29.1 | Very low | 29.8 | Very low | 66 Ų | 66 | 78.9 Ų | 78.9 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | trans | -75.7 | 83.8 | 170.5 | -64 | 167.8 | 0 | 0 | 0 | 105.4 | K433 T437 | K433-I435 HydrophobicContact CB-CG1 4.43Å; K433-I435 HydrophobicContact CD-CD1 4.46Å; K433-I435 HydrophobicContact CD-CG1 4.37Å; K433-I435 HydrophobicContact CG-CG1 4.02Å; K433-I435 PolarHBondContact O-N 3.35Å; I435-T437 HydrophobicContact CG2-CG2 3.48Å; I435-T437 VanDerWaalsContact CG2-CG2 3.48Å; I435-T437 PolarHBondContact O-N 3.04Å | ||
| 436 | M | 25.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 75.4 Ų | 75.4 | 68% | 0.675 | 39% | 0.392 | S | S | * | . | trans | -72.3 | 90 | 159.8 | -71.4 | -162 | -55.1 | 0 | 0 | 106.7 | L381 K434 N438 | L381-M436 HydrophobicContact CD2-SD 4.33Å; K434-M436 PolarHBondContact O-N 2.93Å; M436-N438 PolarHBondContact O-N 2.73Å | ||
| 437 | T | 29.7 | Very low | 32.2 | Very low | 35 Ų | 35 | 73.7 Ų | 73.7 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | trans | -85.8 | 107.8 | 170.7 | 26.6 | 0 | 0 | 0 | 0 | 108.7 | I435 Y439 | I435-T437 HydrophobicContact CG2-CG2 3.48Å; I435-T437 VanDerWaalsContact CG2-CG2 3.48Å; I435-T437 PolarHBondContact O-N 3.04Å; T437-Y439 VanDerWaalsContact C-N 3.34Å; T437-Y439 HydrophobicContact CG2-CE2 3.85Å; T437-Y439 PolarHBondContact O-N 3.08Å; T437-Y439 VanDerWaalsContact O-N 3.07Å; T437-Y439 VanDerWaalsContact OG1-CE2 3.3Å; T437-Y439 WeakPolarHBondContact OG1-CE2 3.38Å | ||
| 438 | N | 28.3 | Very low | 33.4 | Very low | 91 Ų | 91 | 73.1 Ų | 73.1 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | trans | -73.6 | 88.1 | 169.3 | -153.1 | 5.4 | 0 | 0 | 0 | 107.6 | M436 G440 | M436-N438 PolarHBondContact O-N 2.73Å; N438-G440 PolarHBondContact O-N 2.79Å; N438-G440 VanDerWaalsContact O-N 3.13Å | ||
| 439 | Y | 30 | Very low | 34.5 | Very low | 49 Ų | 49 | 70.9 Ų | 70.9 | 19% | 0.192 | 36% | 0.359 | C | S | . | . | trans | -85.5 | 66.5 | 175.6 | -76.9 | -76.2 | 0 | 0 | 0 | 110.1 | Y170 F232 T437 | Y170-Y439 HydrophobicContact CD1-CD1 4.46Å; Y170-Y439 HydrophobicContact CD2-CD1 4.24Å; Y170-Y439 HydrophobicContact CE1-CD1 4.03Å; Y170-Y439 AromaticContact CE2-CD1 3.78Å; Y170-Y439 HydrophobicContact CE2-CD1 3.78Å; Y170-Y439 HydrophobicContact CE2-CE1 4.32Å; Y170-Y439 AromaticContact CZ-CD1 3.67Å; F232-Y439 AromaticContact CD1-CE2 3.72Å; F232-Y439 HydrophobicContact CD1-CE2 3.72Å; F232-Y439 AromaticContact CD1-CZ 3.79Å; F232-Y439 AromaticContact CE1-CD2 3.7Å; F232-Y439 HydrophobicContact CE1-CD2 3.7Å; F232-Y439 AromaticContact CE1-CE2 3.26Å; F232-Y439 HydrophobicContact CE1-CE2 3.26Å; F232-Y439 AromaticContact CE1-CZ 3.77Å; F232-Y439 HydrophobicContact CZ-CD2 4.46Å; F232-Y439 HydrophobicContact CZ-CE2 4.23Å; T437-Y439 VanDerWaalsContact C-N 3.34Å; T437-Y439 HydrophobicContact CG2-CE2 3.85Å; T437-Y439 PolarHBondContact O-N 3.08Å; T437-Y439 VanDerWaalsContact O-N 3.07Å; T437-Y439 VanDerWaalsContact OG1-CE2 3.3Å; T437-Y439 WeakPolarHBondContact OG1-CE2 3.38Å | ||
| 440 | G | 33.3 | Very low | 35.3 | Very low | 15 Ų | 15 | 72.8 Ų | 72.8 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 62.2 | -161.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N438 Y442 | N438-G440 PolarHBondContact O-N 2.79Å; N438-G440 VanDerWaalsContact O-N 3.13Å; G440-Y442 PolarHBondContact O-N 3.09Å; G440-Y442 VanDerWaalsContact O-N 3.16Å |
| 441 | N | 36.9 | Very low | 35.9 | Very low | 124 Ų | 124 | 67 Ų | 67 | 66% | 0.663 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -72.6 | -2.8 | -170.7 | -67.6 | -18.5 | 0 | 0 | 0 | 115.4 | ||
| 442 | Y | 40.4 | Very low | 36.6 | Very low | 48 Ų | 48 | 65.4 Ų | 65.4 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -119.4 | -18.4 | -167.2 | -58.1 | -81 | 0 | 0 | 0 | 114.6 | E175 G440 | E175-Y442 WeakPolarHBondContact CA-OH 3.36Å; E175-Y442 HydrophobicContact CB-CE2 4.4Å; E175-Y442 WeakPolarHBondContact CB-OH 3.37Å; E175-Y442 VanDerWaalsContact CG-OH 3.22Å; E175-Y442 WeakPolarHBondContact CG-OH 3.34Å; E175-Y442 WeakPolarHBondContact O-CE1 2.84Å; E175-Y442 WeakPolarHBondContact O-CE2 3.3Å; E175-Y442 PolarHBondContact O-OH 3.14Å; E175-Y442 VanDerWaalsContact O-OH 3.07Å; G440-Y442 PolarHBondContact O-N 3.09Å; G440-Y442 VanDerWaalsContact O-N 3.16Å |
| 443 | V | 36.6 | Very low | 37.4 | Very low | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 91.8 | 170 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L236 T445 L446 | L236-V443 HydrophobicContact CD1-CG2 4.48Å; V443-T445 VanDerWaalsContact C-N 3.31Å; V443-L446 HydrophobicContact CG1-CB 4.09Å |
| 444 | N | 44.5 | Very low | 37.8 | Very low | 48 Ų | 48 | 59.8 Ų | 59.8 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -29.4 | -177.8 | -66.8 | -10.2 | 0 | 0 | 0 | 112 | F215 | F215-N444 HydrophobicContact CD1-CB 3.98Å |
| 445 | T | 47.5 | Very low | 38 | Very low | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 128.9 | -174.8 | -44.5 | 0 | 0 | 0 | 0 | 109.9 | G214 F215 L259 L381 V443 | G214-T445 CarbonylContact C-O 3.27Å; G214-T445 WeakPolarHBondContact CA-O 3.34Å; F215-T445 PolarHBondContact N-O 3.46Å; L259-T445 HydrophobicContact CB-CG2 4.29Å; L259-T445 HydrophobicContact CD1-CG2 4.39Å; L259-T445 HydrophobicContact CG-CG2 4.5Å; L381-T445 HydrophobicContact CB-CG2 3.83Å; L381-T445 HydrophobicContact CD1-CG2 3.23Å; L381-T445 HydrophobicContact CD2-CG2 4.37Å; L381-T445 HydrophobicContact CG-CG2 3.96Å; V443-T445 VanDerWaalsContact C-N 3.31Å |
| 446 | L | 45.5 | Very low | 38.2 | Very low | 25 Ų | 25 | 62.5 Ų | 62.5 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126.9 | 171 | -177.4 | 78.8 | 0 | 0 | 0 | 109.5 | Y212 L213 F221 F232 V443 | Y212-L446 HydrophobicContact CD1-CD1 4.05Å; Y212-L446 HydrophobicContact CD1-CD2 4.34Å; Y212-L446 HydrophobicContact CD1-CG 4.28Å; Y212-L446 HydrophobicContact CE1-CD2 4.48Å; L213-L446 CarbonylContact O-C 3.38Å; L213-L446 WeakPolarHBondContact O-CA 3.27Å; F221-L446 HydrophobicContact CE2-CD1 4.29Å; F221-L446 HydrophobicContact CZ-CD1 3.88Å; F232-L446 HydrophobicContact CD2-CD2 4.42Å; F232-L446 HydrophobicContact CE1-CD2 4.04Å; F232-L446 HydrophobicContact CE2-CD1 3.9Å; F232-L446 HydrophobicContact CE2-CD2 3.47Å; F232-L446 VanDerWaalsContact CE2-CD2 3.47Å; F232-L446 HydrophobicContact CE2-CG 4.32Å; F232-L446 HydrophobicContact CZ-CD1 3.99Å; F232-L446 HydrophobicContact CZ-CD2 3.23Å; F232-L446 HydrophobicContact CZ-CG 4.23Å; V443-L446 HydrophobicContact CG1-CB 4.09Å |
| 447 | S | 52 | Low | 38.5 | Very low | 23 Ų | 23 | 62.7 Ų | 62.7 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.6 | 176 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | Y212 L213 L381 | Y212-S447 WeakPolarHBondContact CA-O 3.3Å; L213-S447 PolarHBondContact N-O 2.99Å; L213-S447 PolarHBondContact O-N 2.84Å; L381-S447 VanDerWaalsContact CD1-OG 3.24Å; L381-S447 WeakPolarHBondContact CD1-OG 3.33Å |
| 448 | Y | 46.6 | Very low | 38.5 | Very low | 77 Ų | 77 | 65.4 Ų | 65.4 | 30% | 0.302 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.9 | 177.1 | 172.2 | -107 | 0 | 0 | 0 | 108.9 | H206 E207 S210 Y212 R450 | H206-Y448 VanDerWaalsContact CA-OH 3.24Å; H206-Y448 WeakPolarHBondContact CA-OH 3.18Å; H206-Y448 HydrophobicContact CB-CD2 4.43Å; H206-Y448 HydrophobicContact CB-CE2 3.43Å; H206-Y448 VanDerWaalsContact CB-CE2 3.43Å; H206-Y448 WeakPolarHBondContact CB-OH 3.32Å; E207-Y448 PolarHBondContact N-OH 2.85Å; S210-Y448 PolarHBondContact OG-OH 3.28Å; Y212-Y448 HydrophobicContact CD1-CD2 4.01Å; Y212-Y448 AromaticContact CE1-CD2 3.49Å; Y212-Y448 HydrophobicContact CE1-CD2 3.49Å; Y212-Y448 VanDerWaalsContact CE1-CD2 3.49Å; Y212-Y448 HydrophobicContact CE1-CE2 4.43Å; Y212-Y448 HydrophobicContact CE1-CG 4.07Å; Y212-Y448 HydrophobicContact CE2-CD2 4.16Å; Y212-Y448 HydrophobicContact CE2-CE2 4.44Å; Y212-Y448 AromaticContact CZ-CD2 3.57Å; Y448-R450 HydrophobicContact CE1-CG 3.55Å |
| 449 | F | 48.8 | Very low | 38.5 | Very low | 38 Ų | 38 | 66.3 Ų | 66.3 | 17% | 0.167 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.1 | 176.4 | -57.3 | -82.1 | 0 | 0 | 0 | 108.3 | S210 I211 L213 Y453 | S210-F449 CarbonylContact C-O 3.59Å; S210-F449 WeakPolarHBondContact CA-O 3.49Å; S210-F449 VanDerWaalsContact CB-O 3.27Å; S210-F449 WeakPolarHBondContact CB-O 2.85Å; I211-F449 HydrophobicContact CB-CB 4.48Å; I211-F449 PolarHBondContact N-O 3.44Å; I211-F449 WeakPolarHBondContact O-CD2 2.75Å; I211-F449 PolarHBondContact O-N 3.17Å; L213-F449 HydrophobicContact CB-CD2 4.43Å; L213-F449 HydrophobicContact CB-CE2 3.79Å; L213-F449 HydrophobicContact CD2-CE2 3.98Å; L213-F449 HydrophobicContact CD2-CZ 4.39Å; F449-Y453 HydrophobicContact CB-CD2 4.19Å; F449-Y453 HydrophobicContact CD1-CD2 4.45Å |
| 450 | R | 40 | Very low | 38.7 | Very low | 103 Ų | 103 | 69.5 Ų | 69.5 | 39% | 0.389 | 33% | 0.334 | S | S | . | . | trans | -59.7 | 161 | 171.3 | -80.2 | -171.6 | 168.7 | -164.7 | -14.9 | 111.3 | E207 Y448 E452 Y453 | E207-R450 IonicContact OE1-CZ 3.33Å; E207-R450 IonicContact OE1-NE 3.44Å; E207-R450 PolarHBondContact OE1-NE 2.85Å; E207-R450 IonicContact OE1-NH1 2.62Å; E207-R450 IonicContact OE1-NH2 2.74Å; E207-R450 PolarHBondContact OE1-NH2 3.14Å; Y448-R450 HydrophobicContact CE1-CG 3.55Å; R450-E452 HydrophobicContact CB-CB 4.44Å; R450-E452 IonicContact NH1-OE1 2.74Å; R450-E452 PolarHBondContact NH1-OE1 2.81Å; R450-E452 PolarHBondContact O-N 2.61Å; R450-Y453 WeakPolarHBondContact O-CD2 3.33Å; R450-Y453 PolarHBondContact O-N 3.12Å; R450-Y453 VanDerWaalsContact O-N 3.08Å | ||
| 451 | N | 39 | Very low | 38.5 | Very low | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -52.3 | -27.4 | 173.6 | -77.3 | 11.2 | 0 | 0 | 0 | 113.5 | K208 G209 S210 Y453 V454 E455 | K208-N451 PolarHBondContact O-ND2 3.13Å; K208-N451 PolarHBondContact O-OD1 2.73Å; G209-N451 WeakPolarHBondContact CA-OD1 3.36Å; G209-N451 PolarHBondContact O-OD1 3.39Å; S210-N451 WeakPolarHBondContact CA-OD1 3.23Å; S210-N451 PolarHBondContact N-OD1 2.97Å; N451-Y453 PolarHBondContact O-N 2.94Å; N451-V454 CarbonylContact O-C 3.45Å; N451-V454 WeakPolarHBondContact O-CA 3.18Å; N451-V454 PolarHBondContact O-N 3.24Å; N451-E455 PolarHBondContact O-N 2.89Å |
| 452 | E | 40.5 | Very low | 38.1 | Very low | 77 Ų | 77 | 74 Ų | 74 | 36% | 0.36 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -53.2 | -18.2 | 175.7 | -62.9 | 171.5 | -144.7 | 0 | 0 | 113.9 | R450 Y458 | R450-E452 HydrophobicContact CB-CB 4.44Å; R450-E452 IonicContact NH1-OE1 2.74Å; R450-E452 PolarHBondContact NH1-OE1 2.81Å; R450-E452 PolarHBondContact O-N 2.61Å; E452-Y458 HydrophobicContact CB-CD2 4.1Å; E452-Y458 WeakPolarHBondContact O-CB 3.15Å |
| 453 | Y | 39.8 | Very low | 37.7 | Very low | 80 Ų | 80 | 77.4 Ų | 77.4 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -91 | 1.2 | 172.2 | -65 | -79.4 | 0 | 0 | 0 | 114.8 | L375 F449 R450 N451 | L375-Y453 HydrophobicContact CD1-CE1 4.44Å; L375-Y453 WeakPolarHBondContact CD1-OH 3.46Å; L375-Y453 HydrophobicContact CD2-CE1 4.29Å; L375-Y453 WeakPolarHBondContact CD2-OH 3.36Å; L375-Y453 WeakPolarHBondContact CG-OH 3.4Å; F449-Y453 HydrophobicContact CB-CD2 4.19Å; F449-Y453 HydrophobicContact CD1-CD2 4.45Å; R450-Y453 WeakPolarHBondContact O-CD2 3.33Å; R450-Y453 PolarHBondContact O-N 3.12Å; R450-Y453 VanDerWaalsContact O-N 3.08Å; N451-Y453 PolarHBondContact O-N 2.94Å |
| 454 | V | 34 | Very low | 37.5 | Very low | 60 Ų | 60 | 81.4 Ų | 81.4 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -4.8 | -175.2 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | I211 N451 | I211-V454 HydrophobicContact CD1-CG2 4.08Å; N451-V454 CarbonylContact O-C 3.45Å; N451-V454 WeakPolarHBondContact O-CA 3.18Å; N451-V454 PolarHBondContact O-N 3.24Å |
| 455 | E | 29.6 | Very low | 36.7 | Very low | 101 Ų | 101 | 85.2 Ų | 85.2 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -131.4 | 141.6 | -173 | -66.2 | -175 | 163 | 0 | 0 | 113 | N451 E457 Y458 | N451-E455 PolarHBondContact O-N 2.89Å; E455-E457 PolarHBondContact O-N 3.1Å; E455-Y458 PolarHBondContact O-N 3.08Å |
| 456 | D | 33.4 | Very low | 35.8 | Very low | 144 Ų | 144 | 86.7 Ų | 86.7 | 77% | 0.77 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.8 | -172.8 | -68.9 | -47.6 | 0 | 0 | 0 | 114.1 | Y458 M459 E460 | D456-Y458 VanDerWaalsContact C-N 3.29Å; D456-Y458 PolarHBondContact O-N 2.83Å; D456-M459 WeakPolarHBondContact O-CB 3.31Å; D456-M459 PolarHBondContact O-N 2.91Å; D456-M459 VanDerWaalsContact O-N 3.09Å; D456-E460 PolarHBondContact O-N 3.02Å |
| 457 | E | 31.8 | Very low | 35 | Very low | 140 Ų | 140 | 90.6 Ų | 90.6 | 65% | 0.654 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.3 | -30.4 | 177.6 | -114.7 | -179.3 | 172.1 | 0 | 0 | 113.8 | E455 M459 E460 L461 | E455-E457 PolarHBondContact O-N 3.1Å; E457-M459 VanDerWaalsContact C-N 3.35Å; E457-E460 VanDerWaalsContact O-CB 3.31Å; E457-E460 WeakPolarHBondContact O-CB 3.34Å; E457-E460 PolarHBondContact O-N 2.76Å; E457-L461 PolarHBondContact O-N 2.82Å |
| 458 | Y | 29.1 | Very low | 34 | Very low | 92 Ų | 92 | 99.2 Ų | 99.2 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.8 | -31.4 | 176.4 | -166 | -91.8 | 0 | 0 | 0 | 112.1 | L375 E452 E455 D456 E460 L461 F462 | L375-Y458 HydrophobicContact CD1-CE2 4.27Å; L375-Y458 WeakPolarHBondContact CD1-OH 3.4Å; E452-Y458 HydrophobicContact CB-CD2 4.1Å; E452-Y458 WeakPolarHBondContact O-CB 3.15Å; E455-Y458 PolarHBondContact O-N 3.08Å; D456-Y458 VanDerWaalsContact C-N 3.29Å; D456-Y458 PolarHBondContact O-N 2.83Å; Y458-E460 VanDerWaalsContact C-N 3.26Å; Y458-L461 PolarHBondContact O-N 2.96Å; Y458-F462 PolarHBondContact O-N 2.88Å; Y458-F462 VanDerWaalsContact O-N 3.07Å |
| 459 | M | 30.3 | Very low | 33.6 | Very low | 111 Ų | 111 | 99 Ų | 99 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -30.8 | 170.8 | -67.8 | -65.6 | -78.5 | 0 | 0 | 110.7 | D456 E457 R463 | D456-M459 WeakPolarHBondContact O-CB 3.31Å; D456-M459 PolarHBondContact O-N 2.91Å; D456-M459 VanDerWaalsContact O-N 3.09Å; E457-M459 VanDerWaalsContact C-N 3.35Å; M459-R463 WeakPolarHBondContact O-CB 3.35Å; M459-R463 WeakPolarHBondContact O-CD 3.3Å; M459-R463 WeakPolarHBondContact O-CG 3.43Å; M459-R463 PolarHBondContact O-N 3.19Å |
| 460 | E | 32.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -41 | 173.8 | -120.3 | 177 | 176.8 | 0 | 0 | 112.7 | D456 E457 Y458 F462 R463 N464 | D456-E460 PolarHBondContact O-N 3.02Å; E457-E460 VanDerWaalsContact O-CB 3.31Å; E457-E460 WeakPolarHBondContact O-CB 3.34Å; E457-E460 PolarHBondContact O-N 2.76Å; Y458-E460 VanDerWaalsContact C-N 3.26Å; E460-F462 PolarHBondContact O-N 2.78Å; E460-R463 WeakPolarHBondContact O-CB 3.11Å; E460-R463 PolarHBondContact O-N 2.88Å; E460-N464 PolarHBondContact O-N 2.89Å |
| 461 | L | 30.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 97.1 Ų | 97.1 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.2 | -33.2 | 175.9 | -159.6 | 82.5 | 0 | 0 | 0 | 112.5 | E457 Y458 N465 | E457-L461 PolarHBondContact O-N 2.82Å; Y458-L461 PolarHBondContact O-N 2.96Å; L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 2.73Å; L461-N465 VanDerWaalsContact O-N 3.09Å; L461-N465 PolarHBondContact O-ND2 3.5Å |
| 462 | F | 28.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 96.1 Ų | 96.1 | 59% | 0.592 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 170.6 | -175.1 | -101.9 | 0 | 0 | 0 | 110.7 | Y458 E460 T466 | Y458-F462 PolarHBondContact O-N 2.88Å; Y458-F462 VanDerWaalsContact O-N 3.07Å; E460-F462 PolarHBondContact O-N 2.78Å; F462-T466 HydrophobicContact CZ-CG2 4.42Å; F462-T466 WeakPolarHBondContact O-CG2 3.39Å; F462-T466 PolarHBondContact O-N 3.06Å; F462-T466 PolarHBondContact O-OG1 3.39Å |
| 463 | R | 30.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 92.8 Ų | 92.8 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.7 | -73.8 | 168.4 | 179.9 | -154.4 | -6.5 | 112.9 | M459 E460 T466 S635 | M459-R463 WeakPolarHBondContact O-CB 3.35Å; M459-R463 WeakPolarHBondContact O-CD 3.3Å; M459-R463 WeakPolarHBondContact O-CG 3.43Å; M459-R463 PolarHBondContact O-N 3.19Å; E460-R463 WeakPolarHBondContact O-CB 3.11Å; E460-R463 PolarHBondContact O-N 2.88Å; R463-T466 PolarHBondContact O-OG1 3.17Å; R463-S635 PolarHBondContact NH2-O 2.77Å |
| 464 | N | 33 | Very low | 39.1 | Very low | 88 Ų | 88 | 89.8 Ų | 89.8 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.7 | -30.7 | 179.8 | -82.1 | -9.1 | 0 | 0 | 0 | 113.9 | E460 T466 Q467 | E460-N464 PolarHBondContact O-N 2.89Å; N464-T466 VanDerWaalsContact C-N 3.32Å; N464-Q467 WeakPolarHBondContact O-CB 3.38Å; N464-Q467 PolarHBondContact O-N 2.86Å |
| 465 | N | 28.6 | Very low | 41.4 | Very low | 127 Ų | 127 | 86.9 Ų | 86.9 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -82.7 | -14.1 | 178.7 | -79.7 | -43.4 | 0 | 0 | 0 | 114 | L461 | L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 2.73Å; L461-N465 VanDerWaalsContact O-N 3.09Å; L461-N465 PolarHBondContact O-ND2 3.5Å |
| 466 | T | 28.6 | Very low | 44 | Very low | 40 Ų | 40 | 82.1 Ų | 82.1 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -88.9 | -10.8 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 112 | F462 R463 N464 K468 F469 | F462-T466 HydrophobicContact CZ-CG2 4.42Å; F462-T466 WeakPolarHBondContact O-CG2 3.39Å; F462-T466 PolarHBondContact O-N 3.06Å; F462-T466 PolarHBondContact O-OG1 3.39Å; R463-T466 PolarHBondContact O-OG1 3.17Å; N464-T466 VanDerWaalsContact C-N 3.32Å; T466-K468 CarbonylContact O-C 3.49Å; T466-K468 PolarHBondContact O-N 2.93Å; T466-F469 VanDerWaalsContact CB-CE2 3.45Å; T466-F469 HydrophobicContact CG2-CE1 4.11Å; T466-F469 HydrophobicContact CG2-CZ 4.12Å; T466-F469 WeakPolarHBondContact O-CD1 3.31Å; T466-F469 WeakPolarHBondContact O-CD2 3.14Å; T466-F469 VanDerWaalsContact O-CE2 3.22Å; T466-F469 WeakPolarHBondContact O-CE2 3.48Å; T466-F469 WeakPolarHBondContact O-CG 3.24Å; T466-F469 PolarHBondContact O-N 3.25Å; T466-F469 WeakPolarHBondContact OG1-CE2 3.37Å; T466-F469 WeakPolarHBondContact OG1-CZ 3.45Å |
| 467 | Q | 28.5 | Very low | 46.4 | Very low | 107 Ų | 107 | 75.5 Ų | 75.5 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 13.1 | 178.6 | -110.3 | -179.3 | 1.6 | 0 | 0 | 117.7 | N464 | N464-Q467 WeakPolarHBondContact O-CB 3.38Å; N464-Q467 PolarHBondContact O-N 2.86Å |
| 468 | K | 31.7 | Very low | 48.6 | Very low | 204 Ų | 204 | 71.1 Ų | 71.1 | 89% | 0.887 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 26.4 | 154 | -84.1 | -172.1 | 175.5 | -177.5 | 0 | 112.2 | T466 P470 | T466-K468 CarbonylContact O-C 3.49Å; T466-K468 PolarHBondContact O-N 2.93Å; K468-P470 WeakPolarHBondContact O-CD 3.31Å |
| 469 | F | 36.8 | Very low | 51.2 | Low | 73 Ų | 73 | 67 Ų | 67 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | trans | -52.7 | 117.8 | 176.4 | -64 | -78.7 | 0 | 0 | 0 | 109.9 | T466 I471 M717 | T466-F469 VanDerWaalsContact CB-CE2 3.45Å; T466-F469 HydrophobicContact CG2-CE1 4.11Å; T466-F469 HydrophobicContact CG2-CZ 4.12Å; T466-F469 WeakPolarHBondContact O-CD1 3.31Å; T466-F469 WeakPolarHBondContact O-CD2 3.14Å; T466-F469 VanDerWaalsContact O-CE2 3.22Å; T466-F469 WeakPolarHBondContact O-CE2 3.48Å; T466-F469 WeakPolarHBondContact O-CG 3.24Å; T466-F469 PolarHBondContact O-N 3.25Å; T466-F469 WeakPolarHBondContact OG1-CE2 3.37Å; T466-F469 WeakPolarHBondContact OG1-CZ 3.45Å; F469-I471 VanDerWaalsContact C-N 3.32Å; F469-I471 PolarHBondContact O-N 2.66Å; F469-M717 HydrophobicContact CD2-CE 3.96Å; F469-M717 HydrophobicContact CE2-CE 4.06Å; F469-M717 HydrophobicContact CG-CE 4.4Å; F469-M717 HydrophobicContact CZ-CE 4.44Å | ||
| 470 | P | 43 | Very low | 53.9 | Low | 65 Ų | 65 | 61.8 Ų | 61.8 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | trans | -61.3 | 101.4 | 162.6 | 25.5 | -30.3 | 0 | 0 | 0 | 107.3 | K468 S472 M485 | K468-P470 WeakPolarHBondContact O-CD 3.31Å; P470-S472 PolarHBondContact O-N 2.52Å; P470-S472 PolarHBondContact O-OG 3.35Å; P470-M485 HydrophobicContact CB-CE 4.13Å; P470-M485 HydrophobicContact CG-CE 4.01Å | ||
| 471 | I | 52.4 | Low | 56.6 | Low | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | trans | -62.9 | 108 | 172.9 | -59.7 | 170.3 | 0 | 0 | 0 | 105.8 | F469 F473 M485 Y682 I715 | F469-I471 VanDerWaalsContact C-N 3.32Å; F469-I471 PolarHBondContact O-N 2.66Å; I471-F473 HydrophobicContact CB-CE2 4.39Å; I471-F473 HydrophobicContact CG2-CE1 4.32Å; I471-F473 HydrophobicContact CG2-CE2 3.85Å; I471-F473 HydrophobicContact CG2-CZ 3.72Å; I471-M485 VanDerWaalsContact O-O 3.11Å; I471-Y682 HydrophobicContact CD1-CD2 3.82Å; I471-Y682 HydrophobicContact CD1-CE1 4.16Å; I471-Y682 HydrophobicContact CD1-CE2 3.27Å; I471-Y682 HydrophobicContact CD1-CG 4.45Å; I471-Y682 VanDerWaalsContact CD1-CZ 3.47Å; I471-Y682 HydrophobicContact CG1-CE2 4.28Å; I471-I715 HydrophobicContact CG2-CG2 3.63Å | ||
| 472 | S | 66.6 | Low | 59.3 | Low | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140.4 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | P470 V484 M485 Y716 | P470-S472 PolarHBondContact O-N 2.52Å; P470-S472 PolarHBondContact O-OG 3.35Å; S472-V484 CarbonylContact C-O 3.5Å; S472-V484 WeakPolarHBondContact CA-O 3.25Å; S472-V484 WeakPolarHBondContact CB-O 3.46Å; S472-M485 PolarHBondContact OG-SD 2.88Å; S472-M485 VanDerWaalsContact OG-SD 3.4Å; S472-Y716 PolarHBondContact N-O 3.5Å; S472-Y716 WeakPolarHBondContact O-CA 3.39Å; S472-Y716 WeakPolarHBondContact O-CB 3.39Å; S472-Y716 PolarHBondContact O-N 2.77Å |
| 473 | F | 76.4 | Confident | 62 | Low | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.4 | 175.6 | -64.5 | -89 | 0 | 0 | 0 | 108.3 | I471 I483 V484 F487 V693 F706 I713 G714 I715 | I471-F473 HydrophobicContact CB-CE2 4.39Å; I471-F473 HydrophobicContact CG2-CE1 4.32Å; I471-F473 HydrophobicContact CG2-CE2 3.85Å; I471-F473 HydrophobicContact CG2-CZ 3.72Å; F473-I483 CarbonylContact O-C 3.54Å; F473-I483 VanDerWaalsContact O-CA 3.27Å; F473-I483 WeakPolarHBondContact O-CA 3.46Å; F473-V484 PolarHBondContact N-O 3.05Å; F473-V484 PolarHBondContact O-N 3.04Å; F473-F487 HydrophobicContact CD2-CB 4.42Å; F473-F487 HydrophobicContact CE2-CB 3.68Å; F473-F487 HydrophobicContact CZ-CB 4.27Å; F473-V693 HydrophobicContact CE1-CG2 3.81Å; F473-V693 HydrophobicContact CZ-CG2 4.4Å; F473-F706 HydrophobicContact CD1-CZ 4.17Å; F473-F706 HydrophobicContact CE1-CZ 4.12Å; F473-I713 HydrophobicContact CD1-CD1 4.37Å; F473-G714 WeakPolarHBondContact CA-O 3.31Å; F473-I715 HydrophobicContact CE1-CG1 4.23Å |
| 474 | Y | 84.8 | Confident | 64.3 | Low | 16 Ų | 16 | 39.6 Ų | 39.6 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.6 | 172.4 | 72.6 | -83.3 | 0 | 0 | 0 | 109.6 | F482 A508 L510 F712 I713 G714 | Y474-F482 WeakPolarHBondContact CA-O 3.42Å; Y474-F482 WeakPolarHBondContact CB-O 3.47Å; Y474-A508 HydrophobicContact CD2-CB 4.43Å; Y474-A508 HydrophobicContact CE2-CB 4.39Å; Y474-L510 HydrophobicContact CD1-CB 3.93Å; Y474-L510 HydrophobicContact CD1-CD2 3.89Å; Y474-L510 HydrophobicContact CD2-CB 3.77Å; Y474-L510 HydrophobicContact CE1-CB 3.9Å; Y474-L510 HydrophobicContact CE2-CB 3.78Å; Y474-L510 HydrophobicContact CG-CB 3.84Å; Y474-L510 HydrophobicContact CG-CD2 3.9Å; Y474-F712 HydrophobicContact CD2-CE1 4.48Å; Y474-F712 AromaticContact CE2-CE1 3.76Å; Y474-F712 HydrophobicContact CE2-CE1 3.76Å; Y474-I713 CarbonylContact O-C 3.56Å; Y474-I713 WeakPolarHBondContact O-CA 3.13Å; Y474-G714 WeakPolarHBondContact CD1-O 3.38Å; Y474-G714 PolarHBondContact N-O 2.99Å; Y474-G714 PolarHBondContact O-N 2.64Å |
| 475 | G | 83.8 | Confident | 66.1 | Low | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | -172.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V481 F482 F712 | G475-V481 WeakPolarHBondContact O-CA 3.32Å; G475-F482 VanDerWaalsContact CA-CE1 3.47Å; G475-F482 VanDerWaalsContact CA-CZ 3.5Å; G475-F482 PolarHBondContact N-O 2.83Å; G475-F482 WeakPolarHBondContact O-CD1 3.17Å; G475-F482 PolarHBondContact O-N 2.78Å; G475-F712 CarbonylContact C-O 3.38Å; G475-F712 WeakPolarHBondContact CA-O 3.21Å |
| 476 | V | 84.5 | Confident | 67.8 | Low | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.8 | 172.8 | -172 | 0 | 0 | 0 | 0 | 108.3 | T480 V481 I506 A508 L556 D711 F712 | V476-T480 WeakPolarHBondContact CA-O 3.17Å; V476-V481 HydrophobicContact CG2-CG2 4.06Å; V476-I506 HydrophobicContact CB-CG2 4.17Å; V476-I506 HydrophobicContact CG1-CG2 4.05Å; V476-I506 HydrophobicContact CG2-CG2 4.04Å; V476-A508 HydrophobicContact CG2-CB 3.86Å; V476-L556 HydrophobicContact CG1-CD1 4.11Å; V476-D711 HydrophobicContact CB-CB 4.34Å; V476-D711 HydrophobicContact CG1-CB 4.42Å; V476-D711 WeakPolarHBondContact O-CB 3.46Å; V476-D711 PolarHBondContact O-N 3.28Å; V476-F712 PolarHBondContact N-O 2.85Å; V476-F712 PolarHBondContact O-N 3.31Å |
| 477 | V | 83.3 | Confident | 69.5 | Low | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.6 | 170.6 | 169.2 | 0 | 0 | 0 | 0 | 107.2 | C479 T480 F482 L495 F710 | V477-C479 PolarHBondContact O-N 2.81Å; V477-C479 VanDerWaalsContact O-N 3.17Å; V477-T480 PolarHBondContact N-O 2.72Å; V477-T480 VanDerWaalsContact N-O 3.13Å; V477-T480 PolarHBondContact O-N 3.29Å; V477-F482 HydrophobicContact CB-CE1 4.4Å; V477-F482 HydrophobicContact CG2-CD1 4.42Å; V477-F482 HydrophobicContact CG2-CE1 3.75Å; V477-L495 HydrophobicContact CB-CB 4.47Å; V477-L495 HydrophobicContact CB-CD1 3.8Å; V477-L495 HydrophobicContact CG1-CB 4.29Å; V477-L495 HydrophobicContact CG1-CD1 4.25Å; V477-L495 HydrophobicContact CG2-CD1 3.97Å; V477-F710 HydrophobicContact CG2-CB 4.38Å; V477-F710 HydrophobicContact CG2-CD1 3.22Å; V477-F710 HydrophobicContact CG2-CE1 3.63Å; V477-F710 HydrophobicContact CG2-CG 4.01Å |
| 478 | N | 78 | Confident | 71.2 | Confident | 48 Ų | 48 | 34.4 Ų | 34.4 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 43.7 | 178.1 | -65 | -52.7 | 0 | 0 | 0 | 112 | T480 N497 T498 K502 D711 | N478-T480 PolarHBondContact O-N 3.45Å; N478-N497 HydrophobicContact CB-CB 3.97Å; N478-T498 PolarHBondContact O-N 3.34Å; N478-T498 PolarHBondContact O-OG1 3.14Å; N478-K502 PolarHBondContact OD1-NZ 3.07Å; N478-D711 PolarHBondContact N-OD2 2.97Å |
| 479 | C | 83.7 | Confident | 73.1 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 18.2 | -175.3 | -73.9 | 0 | 0 | 0 | 0 | 117.2 | V477 T498 C500 I506 L556 | V477-C479 PolarHBondContact O-N 2.81Å; V477-C479 VanDerWaalsContact O-N 3.17Å; C479-T498 VanDerWaalsContact CB-OG1 3.3Å; C479-T498 WeakPolarHBondContact CB-OG1 3.29Å; C479-C500 HydrophobicContact CB-CB 3.53Å; C479-C500 WeakPolarHBondContact CB-SG 3.19Å; C479-C500 WeakPolarHBondContact SG-CB 3.4Å; C479-C500 CovalentContact SG-SG 1.97Å; C479-C500 PolarHBondContact SG-SG 3.16Å; C479-I506 WeakPolarHBondContact SG-CD1 3.45Å; C479-L556 HydrophobicContact CB-CB 4.26Å; C479-L556 HydrophobicContact CB-CD1 4.48Å; C479-L556 VanDerWaalsContact O-CB 3.3Å; C479-L556 WeakPolarHBondContact O-CB 3.36Å; C479-L556 WeakPolarHBondContact O-CG 3.33Å; C479-L556 PolarHBondContact O-N 3.36Å |
| 480 | T | 86.7 | Confident | 74.7 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.7 | 164.9 | -64.2 | 0 | 0 | 0 | 0 | 108.3 | V476 V477 N478 L495 E496 T498 K553 | V476-T480 WeakPolarHBondContact CA-O 3.17Å; V477-T480 PolarHBondContact N-O 2.72Å; V477-T480 VanDerWaalsContact N-O 3.13Å; V477-T480 PolarHBondContact O-N 3.29Å; N478-T480 PolarHBondContact O-N 3.45Å; T480-L495 HydrophobicContact CG2-CD2 3.91Å; T480-E496 PolarHBondContact OG1-O 3.48Å; T480-T498 WeakPolarHBondContact OG1-CG2 3.42Å; T480-K553 HydrophobicContact CG2-CB 4.23Å |
| 481 | V | 88.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131 | 166.8 | 175.7 | 0 | 0 | 0 | 0 | 107.3 | G475 V476 I515 V517 I531 Y552 K553 H554 L556 | G475-V481 WeakPolarHBondContact O-CA 3.32Å; V476-V481 HydrophobicContact CG2-CG2 4.06Å; V481-I515 HydrophobicContact CG1-CB 4.5Å; V481-I515 HydrophobicContact CG1-CD1 3.46Å; V481-I515 VanDerWaalsContact CG1-CD1 3.46Å; V481-I515 HydrophobicContact CG1-CG2 4.05Å; V481-V517 HydrophobicContact CG2-CG2 3.66Å; V481-I531 HydrophobicContact CG2-CD1 4.3Å; V481-Y552 HydrophobicContact CG1-CE1 4.41Å; V481-K553 CarbonylContact O-C 3.59Å; V481-K553 WeakPolarHBondContact O-CA 3.32Å; V481-H554 HydrophobicContact CB-CB 4.23Å; V481-H554 PolarHBondContact N-O 3.46Å; V481-H554 PolarHBondContact O-N 2.81Å; V481-L556 HydrophobicContact CG2-CD1 3.8Å; V481-L556 HydrophobicContact CG2-CD2 3.77Å; V481-L556 HydrophobicContact CG2-CG 3.75Å |
| 482 | F | 87 | Confident | 76.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156 | 176.7 | 68.5 | -93.5 | 0 | 0 | 0 | 112.1 | Y474 G475 V477 V484 F490 L495 Y552 F710 I713 | Y474-F482 WeakPolarHBondContact CA-O 3.42Å; Y474-F482 WeakPolarHBondContact CB-O 3.47Å; G475-F482 VanDerWaalsContact CA-CE1 3.47Å; G475-F482 VanDerWaalsContact CA-CZ 3.5Å; G475-F482 PolarHBondContact N-O 2.83Å; G475-F482 WeakPolarHBondContact O-CD1 3.17Å; G475-F482 PolarHBondContact O-N 2.78Å; V477-F482 HydrophobicContact CB-CE1 4.4Å; V477-F482 HydrophobicContact CG2-CD1 4.42Å; V477-F482 HydrophobicContact CG2-CE1 3.75Å; F482-V484 HydrophobicContact CD2-CG2 3.8Å; F482-V484 HydrophobicContact CE2-CG2 4.34Å; F482-F490 HydrophobicContact CD2-CE2 4.39Å; F482-F490 HydrophobicContact CE1-CE2 4.37Å; F482-F490 HydrophobicContact CE2-CD2 4.34Å; F482-F490 AromaticContact CE2-CE2 3.7Å; F482-F490 HydrophobicContact CE2-CE2 3.7Å; F482-F490 AromaticContact CZ-CE2 3.68Å; F482-F490 HydrophobicContact CZ-CE2 3.68Å; F482-F490 HydrophobicContact CZ-CZ 4.41Å; F482-L495 HydrophobicContact CB-CD2 3.84Å; F482-L495 HydrophobicContact CD1-CD1 3.65Å; F482-L495 HydrophobicContact CD1-CD2 4.37Å; F482-L495 HydrophobicContact CE1-CD1 4.06Å; F482-L495 HydrophobicContact CG-CD1 4.09Å; F482-L495 HydrophobicContact CG-CD2 4.32Å; F482-Y552 CarbonylContact C-O 3.58Å; F482-Y552 WeakPolarHBondContact CA-O 3.04Å; F482-F710 HydrophobicContact CE1-CD1 4.16Å; F482-F710 HydrophobicContact CE1-CE1 4.21Å; F482-F710 HydrophobicContact CZ-CD1 4.05Å; F482-F710 AromaticContact CZ-CE1 3.84Å; F482-F710 HydrophobicContact CZ-CE1 3.84Å; F482-I713 HydrophobicContact CZ-CD1 4.44Å; F482-I713 HydrophobicContact CZ-CG1 4.46Å |
| 483 | I | 85.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.8 | 161 | -56.3 | 153.9 | 0 | 0 | 0 | 107.1 | F473 L510 I515 A533 A551 Y552 L721 | F473-I483 CarbonylContact O-C 3.54Å; F473-I483 VanDerWaalsContact O-CA 3.27Å; F473-I483 WeakPolarHBondContact O-CA 3.46Å; I483-L510 HydrophobicContact CD1-CD2 4.42Å; I483-L510 HydrophobicContact CG1-CD2 4.39Å; I483-I515 HydrophobicContact CD1-CD1 3.6Å; I483-I515 HydrophobicContact CD1-CG1 4.49Å; I483-I515 HydrophobicContact CG1-CD1 3.7Å; I483-A533 HydrophobicContact CD1-CB 3.4Å; I483-A551 CarbonylContact O-C 3.56Å; I483-A551 WeakPolarHBondContact O-CA 3.36Å; I483-Y552 HydrophobicContact CD1-CD1 3.81Å; I483-Y552 HydrophobicContact CD1-CG 4.04Å; I483-Y552 HydrophobicContact CG1-CD1 4.24Å; I483-Y552 PolarHBondContact N-O 2.98Å; I483-Y552 PolarHBondContact O-N 3.12Å; I483-L721 HydrophobicContact CD1-CD1 3.42Å; I483-L721 VanDerWaalsContact CD1-CD1 3.42Å |
| 484 | V | 78.7 | Confident | 77 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.7 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | S472 F473 F482 K486 D489 F490 V493 A551 | S472-V484 CarbonylContact C-O 3.5Å; S472-V484 WeakPolarHBondContact CA-O 3.25Å; S472-V484 WeakPolarHBondContact CB-O 3.46Å; F473-V484 PolarHBondContact N-O 3.05Å; F473-V484 PolarHBondContact O-N 3.04Å; F482-V484 HydrophobicContact CD2-CG2 3.8Å; F482-V484 HydrophobicContact CE2-CG2 4.34Å; V484-K486 WeakPolarHBondContact CG1-O 3.32Å; V484-D489 HydrophobicContact CG1-CB 3.65Å; V484-F490 HydrophobicContact CG2-CD2 4.27Å; V484-V493 HydrophobicContact CG1-CG2 4.27Å; V484-V493 HydrophobicContact CG2-CG2 4.03Å; V484-A551 HydrophobicContact CG2-CB 4.06Å |
| 485 | M | 70 | Confident | 76.4 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -78.2 | -21.9 | -174.2 | -66.9 | -62.6 | -57.9 | 0 | 0 | 114.6 | P470 I471 S472 L535 I720 | P470-M485 HydrophobicContact CB-CE 4.13Å; P470-M485 HydrophobicContact CG-CE 4.01Å; I471-M485 VanDerWaalsContact O-O 3.11Å; S472-M485 PolarHBondContact OG-SD 2.88Å; S472-M485 VanDerWaalsContact OG-SD 3.4Å; M485-L535 HydrophobicContact CG-CD1 4.08Å; M485-L535 HydrophobicContact SD-CD1 3.63Å; M485-I720 HydrophobicContact CE-CG1 4.24Å; M485-I720 HydrophobicContact CE-CG2 4.46Å |
| 486 | K | 66.2 | Low | 75.6 | Confident | 58 Ų | 58 | 45 Ų | 45 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -134.8 | 145.6 | -178.1 | -61.6 | 178.6 | -173.5 | 158.5 | 0 | 109.6 | V484 E488 D489 N547 | V484-K486 WeakPolarHBondContact CG1-O 3.32Å; K486-E488 PolarHBondContact O-N 3.41Å; K486-D489 HydrophobicContact CB-CB 4.34Å; K486-D489 PolarHBondContact O-N 3.49Å; K486-N547 PolarHBondContact NZ-OD1 3.42Å |
| 487 | F | 62.9 | Low | 74.6 | Confident | 54 Ų | 54 | 49 Ų | 49 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -61 | -44.6 | 177 | 162.8 | -105 | 0 | 0 | 0 | 111.8 | F473 D489 F490 I704 F706 | F473-F487 HydrophobicContact CD2-CB 4.42Å; F473-F487 HydrophobicContact CE2-CB 3.68Å; F473-F487 HydrophobicContact CZ-CB 4.27Å; F487-D489 PolarHBondContact O-N 2.03Å; F487-D489 VanDerWaalsContact O-N 3.1Å; F487-F490 WeakPolarHBondContact O-CB 3.18Å; F487-F490 PolarHBondContact O-N 2.86Å; F487-I704 HydrophobicContact CD1-CD1 4.03Å; F487-I704 HydrophobicContact CD1-CG2 4.23Å; F487-I704 HydrophobicContact CD2-CG2 3.63Å; F487-I704 HydrophobicContact CE1-CD1 4.29Å; F487-I704 HydrophobicContact CE1-CG2 3.71Å; F487-I704 HydrophobicContact CE2-CB 4.49Å; F487-I704 HydrophobicContact CE2-CG2 3.05Å; F487-I704 HydrophobicContact CG-CD1 4.17Å; F487-I704 HydrophobicContact CG-CG2 4.21Å; F487-I704 HydrophobicContact CZ-CB 4.46Å; F487-I704 HydrophobicContact CZ-CG2 3.1Å; F487-F706 HydrophobicContact CD2-CD1 4.37Å; F487-F706 AromaticContact CD2-CE1 3.44Å; F487-F706 HydrophobicContact CD2-CE1 3.44Å; F487-F706 VanDerWaalsContact CD2-CE1 3.44Å; F487-F706 AromaticContact CD2-CZ 3.78Å; F487-F706 HydrophobicContact CD2-CZ 3.78Å; F487-F706 AromaticContact CE2-CD1 3.79Å; F487-F706 HydrophobicContact CE2-CD1 3.79Å; F487-F706 AromaticContact CE2-CE1 3.3Å; F487-F706 HydrophobicContact CE2-CE1 3.3Å; F487-F706 AromaticContact CE2-CZ 3.88Å; F487-F706 HydrophobicContact CE2-CZ 3.88Å |
| 488 | E | 64.7 | Low | 73.7 | Confident | 121 Ų | 121 | 50.7 Ų | 50.7 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -67.9 | -15.4 | -174.2 | -53.9 | 82.8 | 176 | 0 | 0 | 113.1 | K486 F490 K492 | K486-E488 PolarHBondContact O-N 3.41Å; E488-F490 VanDerWaalsContact C-N 3.3Å; E488-K492 WeakPolarHBondContact O-CE 3.38Å |
| 489 | D | 71.9 | Confident | 72.9 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -83.1 | -13.6 | 176.7 | -72.4 | -18.5 | 0 | 0 | 0 | 111.8 | V484 K486 F487 E491 K492 V493 V549 | V484-D489 HydrophobicContact CG1-CB 3.65Å; K486-D489 HydrophobicContact CB-CB 4.34Å; K486-D489 PolarHBondContact O-N 3.49Å; F487-D489 PolarHBondContact O-N 2.03Å; F487-D489 VanDerWaalsContact O-N 3.1Å; D489-E491 PolarHBondContact O-N 3.08Å; D489-K492 WeakPolarHBondContact O-CB 3.5Å; D489-K492 PolarHBondContact O-N 2.63Å; D489-K492 IonicContact OD1-NZ 2.65Å; D489-K492 PolarHBondContact OD1-NZ 3.35Å; D489-V493 VanDerWaalsContact O-CG2 3.26Å; D489-V493 WeakPolarHBondContact O-CG2 3.2Å; D489-V493 PolarHBondContact O-N 2.8Å; D489-V493 VanDerWaalsContact O-N 3.15Å; D489-V549 HydrophobicContact CB-CG1 4.06Å; D489-V549 HydrophobicContact CB-CG2 4.29Å |
| 490 | F | 69.6 | Low | 72.3 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -55.6 | -50.7 | -177.9 | -167.2 | -88.6 | 0 | 0 | 0 | 112.3 | F482 V484 F487 E488 K492 V493 L495 F706 D708 F710 | F482-F490 HydrophobicContact CD2-CE2 4.39Å; F482-F490 HydrophobicContact CE1-CE2 4.37Å; F482-F490 HydrophobicContact CE2-CD2 4.34Å; F482-F490 AromaticContact CE2-CE2 3.7Å; F482-F490 HydrophobicContact CE2-CE2 3.7Å; F482-F490 AromaticContact CZ-CE2 3.68Å; F482-F490 HydrophobicContact CZ-CE2 3.68Å; F482-F490 HydrophobicContact CZ-CZ 4.41Å; V484-F490 HydrophobicContact CG2-CD2 4.27Å; F487-F490 WeakPolarHBondContact O-CB 3.18Å; F487-F490 PolarHBondContact O-N 2.86Å; E488-F490 VanDerWaalsContact C-N 3.3Å; F490-K492 PolarHBondContact O-N 2.67Å; F490-K492 VanDerWaalsContact O-N 3.17Å; F490-V493 PolarHBondContact O-N 3.08Å; F490-V493 VanDerWaalsContact O-N 3.15Å; F490-L495 HydrophobicContact CE2-CD1 4.46Å; F490-L495 HydrophobicContact CZ-CD1 4.19Å; F490-F706 HydrophobicContact CB-CE1 4.46Å; F490-F706 AromaticContact CD1-CD1 3.94Å; F490-F706 HydrophobicContact CD1-CD1 3.94Å; F490-F706 HydrophobicContact CD1-CE1 4.37Å; F490-F706 HydrophobicContact CD2-CE1 4.44Å; F490-F706 HydrophobicContact CE1-CD1 4.41Å; F490-F706 HydrophobicContact CG-CD1 4.14Å; F490-F706 HydrophobicContact CG-CE1 4.1Å; F490-D708 HydrophobicContact CE1-CB 4.44Å; F490-D708 WeakPolarHBondContact CE1-OD2 3.43Å; F490-F710 HydrophobicContact CD1-CZ 4.28Å; F490-F710 AromaticContact CE1-CE1 3.81Å; F490-F710 HydrophobicContact CE1-CE1 3.81Å; F490-F710 HydrophobicContact CE1-CE2 4.49Å; F490-F710 AromaticContact CE1-CZ 3.36Å; F490-F710 HydrophobicContact CE1-CZ 3.36Å; F490-F710 AromaticContact CE2-CE1 3.48Å; F490-F710 HydrophobicContact CE2-CE1 3.48Å; F490-F710 VanDerWaalsContact CE2-CE1 3.48Å; F490-F710 AromaticContact CE2-CZ 3.81Å; F490-F710 HydrophobicContact CE2-CZ 3.81Å; F490-F710 HydrophobicContact CZ-CD1 4.31Å; F490-F710 AromaticContact CZ-CE1 3.04Å; F490-F710 HydrophobicContact CZ-CE1 3.04Å; F490-F710 HydrophobicContact CZ-CE2 4.46Å; F490-F710 AromaticContact CZ-CZ 3.13Å; F490-F710 HydrophobicContact CZ-CZ 3.13Å |
| 491 | E | 68.3 | Low | 71.7 | Confident | 171 Ų | 171 | 55.2 Ų | 55.2 | 80% | 0.799 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -63.3 | -22.2 | 177.9 | -65.9 | -177.3 | 178.9 | 0 | 0 | 113.6 | D489 | D489-E491 PolarHBondContact O-N 3.08Š|
| 492 | K | 74.4 | Confident | 70.9 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -87.4 | -19.7 | -178.5 | -54.1 | 172.4 | -165 | 158.1 | 0 | 111.8 | E488 D489 F490 K494 V549 | E488-K492 WeakPolarHBondContact O-CE 3.38Å; D489-K492 WeakPolarHBondContact O-CB 3.5Å; D489-K492 PolarHBondContact O-N 2.63Å; D489-K492 IonicContact OD1-NZ 2.65Å; D489-K492 PolarHBondContact OD1-NZ 3.35Å; F490-K492 PolarHBondContact O-N 2.67Å; F490-K492 VanDerWaalsContact O-N 3.17Å; K492-K494 PolarHBondContact O-N 2.77Å; K492-V549 HydrophobicContact CB-CG1 4.26Å; K492-V549 HydrophobicContact CB-CG2 3.64Å; K492-V549 HydrophobicContact CD-CG2 3.29Å; K492-V549 HydrophobicContact CG-CG2 4.12Å |
| 493 | V | 73.1 | Confident | 70.7 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -83.3 | 97.6 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 109 | V484 D489 F490 L495 V549 A551 | V484-V493 HydrophobicContact CG1-CG2 4.27Å; V484-V493 HydrophobicContact CG2-CG2 4.03Å; D489-V493 VanDerWaalsContact O-CG2 3.26Å; D489-V493 WeakPolarHBondContact O-CG2 3.2Å; D489-V493 PolarHBondContact O-N 2.8Å; D489-V493 VanDerWaalsContact O-N 3.15Å; F490-V493 PolarHBondContact O-N 3.08Å; F490-V493 VanDerWaalsContact O-N 3.15Å; V493-L495 HydrophobicContact CG1-CD2 3.66Å; V493-L495 HydrophobicContact CG1-CG 4.02Å; V493-L495 PolarHBondContact O-N 3.14Å; V493-V549 HydrophobicContact CG2-CG1 3.44Å; V493-V549 VanDerWaalsContact CG2-CG1 3.44Å; V493-A551 HydrophobicContact CB-CB 4.39Å; V493-A551 HydrophobicContact CG1-CB 3.68Å; V493-A551 HydrophobicContact CG2-CB 3.63Å |
| 494 | K | 71.7 | Confident | 70.8 | Confident | 176 Ų | 176 | 66 Ų | 66 | 77% | 0.765 | 34% | 0.336 | S | S | * | . | trans | -64.5 | 107.3 | 170.7 | -66.1 | -174.2 | -179.2 | -178.1 | 0 | 110.5 | K492 K553 | K492-K494 PolarHBondContact O-N 2.77Å; K494-K553 PolarHBondContact O-NZ 3.34Å | ||
| 495 | L | 71.4 | Confident | 71.2 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | trans | -95.1 | 93.3 | 175.3 | -62.7 | 173.9 | 0 | 0 | 0 | 108.9 | V477 T480 F482 F490 V493 K553 | V477-L495 HydrophobicContact CB-CB 4.47Å; V477-L495 HydrophobicContact CB-CD1 3.8Å; V477-L495 HydrophobicContact CG1-CB 4.29Å; V477-L495 HydrophobicContact CG1-CD1 4.25Å; V477-L495 HydrophobicContact CG2-CD1 3.97Å; T480-L495 HydrophobicContact CG2-CD2 3.91Å; F482-L495 HydrophobicContact CB-CD2 3.84Å; F482-L495 HydrophobicContact CD1-CD1 3.65Å; F482-L495 HydrophobicContact CD1-CD2 4.37Å; F482-L495 HydrophobicContact CE1-CD1 4.06Å; F482-L495 HydrophobicContact CG-CD1 4.09Å; F482-L495 HydrophobicContact CG-CD2 4.32Å; F490-L495 HydrophobicContact CE2-CD1 4.46Å; F490-L495 HydrophobicContact CZ-CD1 4.19Å; V493-L495 HydrophobicContact CG1-CD2 3.66Å; V493-L495 HydrophobicContact CG1-CG 4.02Å; V493-L495 PolarHBondContact O-N 3.14Å; L495-K553 HydrophobicContact CD2-CD 4.4Å; L495-K553 HydrophobicContact CD2-CG 4.38Å | ||
| 496 | E | 68 | Low | 72 | Confident | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 35% | 0.353 | S | S | * | . | trans | -65.7 | 142.5 | 178.3 | -66.7 | 176.3 | 170.5 | 0 | 0 | 111.7 | T480 T498 K555 | T480-E496 PolarHBondContact OG1-O 3.48Å; E496-T498 PolarHBondContact O-N 3.09Å; E496-K555 IonicContact OE2-NZ 3.58Å; E496-K555 PolarHBondContact OE2-NZ 2.69Å | ||
| 497 | N | 63.4 | Low | 73 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | trans | -75.9 | 119.8 | 176.1 | -177.1 | 8.8 | 0 | 0 | 0 | 110.1 | N478 G499 K502 | N478-N497 HydrophobicContact CB-CB 3.97Å; N497-G499 VanDerWaalsContact C-N 3.31Å; N497-G499 PolarHBondContact O-N 3.46Å; N497-G499 PolarHBondContact OD1-N 3.37Å; N497-K502 WeakPolarHBondContact ND2-CE 3.4Å; N497-K502 PolarHBondContact ND2-NZ 3.14Å | ||
| 498 | T | 63.9 | Low | 74.2 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | trans | -85.9 | -1.5 | -174.6 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | N478 C479 T480 E496 C500 K555 | N478-T498 PolarHBondContact O-N 3.34Å; N478-T498 PolarHBondContact O-OG1 3.14Å; C479-T498 VanDerWaalsContact CB-OG1 3.3Å; C479-T498 WeakPolarHBondContact CB-OG1 3.29Å; T480-T498 WeakPolarHBondContact OG1-CG2 3.42Å; E496-T498 PolarHBondContact O-N 3.09Å; T498-C500 VanDerWaalsContact C-N 3.28Å; T498-C500 PolarHBondContact O-N 3.46Å; T498-K555 HydrophobicContact CG2-CB 3.59Å; T498-K555 HydrophobicContact CG2-CD 3.72Å; T498-K555 HydrophobicContact CG2-CG 3.45Å; T498-K555 VanDerWaalsContact CG2-CG 3.45Å | ||
| 499 | G | 60.7 | Low | 75.2 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | trans | 75.7 | 12 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N497 | N497-G499 VanDerWaalsContact C-N 3.31Å; N497-G499 PolarHBondContact O-N 3.46Å; N497-G499 PolarHBondContact OD1-N 3.37Å | ||
| 500 | C | 71.3 | Confident | 75.5 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 12% | 0.122 | 31% | 0.309 | C | S | . | . | trans | -58.1 | 165.2 | 169 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | C479 T498 K502 | C479-C500 HydrophobicContact CB-CB 3.53Å; C479-C500 WeakPolarHBondContact CB-SG 3.19Å; C479-C500 WeakPolarHBondContact SG-CB 3.4Å; C479-C500 CovalentContact SG-SG 1.97Å; C479-C500 PolarHBondContact SG-SG 3.16Å; T498-C500 VanDerWaalsContact C-N 3.28Å; T498-C500 PolarHBondContact O-N 3.46Å; C500-K502 PolarHBondContact O-N 2.98Å; C500-K502 VanDerWaalsContact O-N 3.07Å | ||
| 501 | N | 74.5 | Confident | 75.7 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -71 | 106.2 | 178.4 | -169.6 | -20.3 | 0 | 0 | 0 | 112.4 | S503 Y504 K521 | N501-S503 PolarHBondContact ND2-OG 2.69Å; N501-S503 PolarHBondContact O-N 3.48Å; N501-S503 VanDerWaalsContact O-N 3.12Å; N501-S503 VanDerWaalsContact OD1-CB 3.32Å; N501-S503 WeakPolarHBondContact OD1-CB 3.45Å; N501-S503 PolarHBondContact OD1-N 3.38Å; N501-S503 PolarHBondContact OD1-OG 3.08Å; N501-Y504 HydrophobicContact CB-CD2 3.97Å; N501-Y504 HydrophobicContact CB-CE2 4.08Å; N501-Y504 WeakPolarHBondContact O-CD2 3.43Å; N501-Y504 PolarHBondContact O-N 3.46Å; N501-K521 PolarHBondContact ND2-NZ 3.41Å | ||
| 502 | K | 72.6 | Confident | 75.7 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -6.4 | 178.3 | -62.8 | -167.4 | -180 | -163.1 | 0 | 115.3 | N478 N497 C500 Y504 | N478-K502 PolarHBondContact OD1-NZ 3.07Å; N497-K502 WeakPolarHBondContact ND2-CE 3.4Å; N497-K502 PolarHBondContact ND2-NZ 3.14Å; C500-K502 PolarHBondContact O-N 2.98Å; C500-K502 VanDerWaalsContact O-N 3.07Å; K502-Y504 PolarHBondContact O-N 2.86Å |
| 503 | S | 82 | Confident | 75.7 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.5 | 174.1 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | N501 K521 | N501-S503 PolarHBondContact ND2-OG 2.69Å; N501-S503 PolarHBondContact O-N 3.48Å; N501-S503 VanDerWaalsContact O-N 3.12Å; N501-S503 VanDerWaalsContact OD1-CB 3.32Å; N501-S503 WeakPolarHBondContact OD1-CB 3.45Å; N501-S503 PolarHBondContact OD1-N 3.38Å; N501-S503 PolarHBondContact OD1-OG 3.08Å; S503-K521 WeakPolarHBondContact OG-CE 3.24Å |
| 504 | Y | 87 | Confident | 76.1 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -79.8 | 132.4 | 172.4 | -75.5 | -84.7 | 0 | 0 | 0 | 111 | N501 K502 R519 T520 K521 E527 | N501-Y504 HydrophobicContact CB-CD2 3.97Å; N501-Y504 HydrophobicContact CB-CE2 4.08Å; N501-Y504 WeakPolarHBondContact O-CD2 3.43Å; N501-Y504 PolarHBondContact O-N 3.46Å; K502-Y504 PolarHBondContact O-N 2.86Å; Y504-R519 HydrophobicContact CD1-CB 3.87Å; Y504-R519 HydrophobicContact CD1-CG 3.74Å; Y504-R519 HydrophobicContact CE1-CG 4.06Å; Y504-R519 HydrophobicContact CG-CB 4.24Å; Y504-R519 HydrophobicContact CG-CG 4.31Å; Y504-T520 CarbonylContact C-O 3.48Å; Y504-T520 WeakPolarHBondContact CA-O 3.41Å; Y504-K521 HydrophobicContact CD1-CG 3.63Å; Y504-K521 HydrophobicContact CD2-CG 4.25Å; Y504-K521 HydrophobicContact CE1-CB 4.5Å; Y504-K521 HydrophobicContact CE1-CD 4.08Å; Y504-K521 HydrophobicContact CE1-CG 3.62Å; Y504-K521 HydrophobicContact CE2-CD 4.21Å; Y504-K521 HydrophobicContact CE2-CG 4.25Å; Y504-K521 HydrophobicContact CG-CG 3.94Å; Y504-E527 PolarHBondContact OH-OE1 3.3Å |
| 505 | K | 87.1 | Confident | 76.8 | Confident | 98 Ų | 98 | 48.4 Ų | 48.4 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.2 | 157.6 | -175.2 | 176.9 | 176.2 | 178.5 | 0 | 108.1 | R519 T520 F574 D575 | K505-R519 CarbonylContact O-C 3.47Å; K505-R519 VanDerWaalsContact O-CA 3.23Å; K505-R519 WeakPolarHBondContact O-CA 3.17Å; K505-T520 HydrophobicContact CB-CG2 4.21Å; K505-T520 PolarHBondContact N-O 3.28Å; K505-T520 PolarHBondContact O-N 2.8Å; K505-F574 HydrophobicContact CB-CE1 4.48Å; K505-F574 HydrophobicContact CD-CD1 3.82Å; K505-F574 HydrophobicContact CD-CE1 4.04Å; K505-F574 HydrophobicContact CG-CD1 4.17Å; K505-F574 HydrophobicContact CG-CE1 3.86Å; K505-D575 WeakPolarHBondContact CE-OD1 3.34Å; K505-D575 IonicContact NZ-OD1 2.7Å; K505-D575 PolarHBondContact NZ-OD1 2.78Å; K505-D575 IonicContact NZ-OD2 3.45Å; K505-D575 PolarHBondContact NZ-OD2 3.46Å |
| 506 | I | 88.2 | Confident | 77.6 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 145.9 | -175.1 | -57.1 | 173.7 | 0 | 0 | 0 | 110.2 | V476 C479 V517 L518 R519 D711 | V476-I506 HydrophobicContact CB-CG2 4.17Å; V476-I506 HydrophobicContact CG1-CG2 4.05Å; V476-I506 HydrophobicContact CG2-CG2 4.04Å; C479-I506 WeakPolarHBondContact SG-CD1 3.45Å; I506-V517 HydrophobicContact CG2-CG1 3.67Å; I506-L518 CarbonylContact C-O 3.54Å; I506-L518 WeakPolarHBondContact CA-O 3.46Å; I506-R519 HydrophobicContact CG1-CB 4.06Å; I506-D711 HydrophobicContact CB-CB 4.15Å |
| 507 | R | 86.9 | Confident | 78.7 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 146.3 | 174.4 | -177.5 | 167.3 | -178.9 | -142.3 | -7.4 | 110.4 | V517 L518 F574 D575 I577 A630 F712 | R507-V517 CarbonylContact O-C 3.55Å; R507-V517 WeakPolarHBondContact O-CA 3.42Å; R507-L518 HydrophobicContact CB-CB 4.48Å; R507-L518 PolarHBondContact N-O 3.47Å; R507-L518 PolarHBondContact O-N 2.85Å; R507-F574 HydrophobicContact CB-CE1 3.85Å; R507-F574 HydrophobicContact CB-CZ 3.95Å; R507-D575 PolarHBondContact NH1-O 2.86Å; R507-I577 PolarHBondContact NH1-O 3.01Å; R507-I577 PolarHBondContact NH2-O 3.07Å; R507-A630 PolarHBondContact NH2-O 3.07Å; R507-F712 HydrophobicContact CB-CD2 4.34Å; R507-F712 HydrophobicContact CG-CD2 3.7Å; R507-F712 HydrophobicContact CG-CE2 3.8Å; R507-F712 HydrophobicContact CG-CG 4.22Å; R507-F712 HydrophobicContact CG-CZ 4.41Å |
| 508 | A | 87.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 148.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y474 V476 I515 T516 V517 F712 | Y474-A508 HydrophobicContact CD2-CB 4.43Å; Y474-A508 HydrophobicContact CE2-CB 4.39Å; V476-A508 HydrophobicContact CG2-CB 3.86Å; A508-I515 HydrophobicContact CB-CG2 3.96Å; A508-T516 CarbonylContact C-O 3.5Å; A508-T516 WeakPolarHBondContact CA-O 3.22Å; A508-V517 HydrophobicContact CB-CG2 4.28Å; A508-F712 HydrophobicContact CB-CD1 3.91Å; A508-F712 HydrophobicContact CB-CE1 4.33Å; A508-F712 WeakPolarHBondContact O-CE1 3.27Å; A508-F712 WeakPolarHBondContact O-CZ 3.43Å |
| 509 | I | 85.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 117 | 178.2 | -55.5 | 169.1 | 0 | 0 | 0 | 107.9 | I515 T516 L518 V579 | I509-I515 CarbonylContact O-C 3.58Å; I509-I515 WeakPolarHBondContact O-CA 3.36Å; I509-T516 PolarHBondContact N-O 2.99Å; I509-T516 PolarHBondContact O-N 2.85Å; I509-L518 HydrophobicContact CD1-CD1 4.16Å; I509-V579 HydrophobicContact CB-CG2 4.07Å; I509-V579 HydrophobicContact CD1-CG2 3.86Å; I509-V579 HydrophobicContact CG2-CB 3.89Å; I509-V579 HydrophobicContact CG2-CG2 3.88Å |
| 510 | L | 79 | Confident | 82.9 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.9 | -179.2 | 173.4 | 58.6 | 0 | 0 | 0 | 110.4 | Y474 I483 Y514 I515 Y716 L721 | Y474-L510 HydrophobicContact CD1-CB 3.93Å; Y474-L510 HydrophobicContact CD1-CD2 3.89Å; Y474-L510 HydrophobicContact CD2-CB 3.77Å; Y474-L510 HydrophobicContact CE1-CB 3.9Å; Y474-L510 HydrophobicContact CE2-CB 3.78Å; Y474-L510 HydrophobicContact CG-CB 3.84Å; Y474-L510 HydrophobicContact CG-CD2 3.9Å; I483-L510 HydrophobicContact CD1-CD2 4.42Å; I483-L510 HydrophobicContact CG1-CD2 4.39Å; L510-Y514 WeakPolarHBondContact CA-O 3.24Å; L510-I515 HydrophobicContact CB-CG1 4.09Å; L510-I515 HydrophobicContact CD1-CD1 4.34Å; L510-I515 HydrophobicContact CD1-CG1 3.51Å; L510-I515 HydrophobicContact CG-CG1 4.24Å; L510-Y716 HydrophobicContact CD2-CD1 3.92Å; L510-Y716 HydrophobicContact CD2-CD2 3.47Å; L510-Y716 VanDerWaalsContact CD2-CD2 3.47Å; L510-Y716 HydrophobicContact CD2-CE1 4.33Å; L510-Y716 HydrophobicContact CD2-CE2 3.92Å; L510-Y716 HydrophobicContact CD2-CG 3.46Å; L510-Y716 VanDerWaalsContact CD2-CG 3.46Å; L510-Y716 HydrophobicContact CG-CD2 3.71Å; L510-Y716 HydrophobicContact CG-CE2 3.88Å; L510-Y716 HydrophobicContact CG-CG 4.24Å; L510-L721 HydrophobicContact CD1-CD1 4.13Å; L510-L721 HydrophobicContact CD2-CD1 4.22Å |
| 511 | L | 73.7 | Confident | 83.7 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 132 | 175.3 | -173 | 70 | 0 | 0 | 0 | 111 | S513 Y514 V579 G581 Y632 | L511-S513 VanDerWaalsContact C-N 3.28Å; L511-S513 PolarHBondContact O-N 3.41Å; L511-S513 VanDerWaalsContact O-N 3.13Å; L511-Y514 PolarHBondContact N-O 2.98Å; L511-Y514 PolarHBondContact O-N 3.04Å; L511-V579 HydrophobicContact CD2-CG1 4.18Å; L511-G581 VanDerWaalsContact CD2-N 3.26Å; L511-Y632 HydrophobicContact CD1-CD1 3.87Å; L511-Y632 HydrophobicContact CD1-CE1 3.25Å |
| 512 | D | 67 | Low | 84.4 | Confident | 101 Ų | 101 | 38.4 Ų | 38.4 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 46 | 173.3 | -73.4 | -34.5 | 0 | 0 | 0 | 114 | Y514 | D512-Y514 WeakPolarHBondContact O-CD2 3.13Å; D512-Y514 PolarHBondContact O-N 3.18Å |
| 513 | S | 75.1 | Confident | 85 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 15.2 | -177.4 | -39.8 | 0 | 0 | 0 | 0 | 117.2 | L511 A533 L721 | L511-S513 VanDerWaalsContact C-N 3.28Å; L511-S513 PolarHBondContact O-N 3.41Å; L511-S513 VanDerWaalsContact O-N 3.13Å; S513-A533 PolarHBondContact O-N 3.44Å; S513-L721 VanDerWaalsContact CA-CD2 3.45Å; S513-L721 WeakPolarHBondContact OG-CD2 3.25Å |
| 514 | Y | 81.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 35.2 Ų | 35.2 | 33% | 0.333 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.7 | 172.6 | -68.7 | -89.9 | 0 | 0 | 0 | 111.7 | L510 L511 D512 R530 I531 K532 | L510-Y514 WeakPolarHBondContact CA-O 3.24Å; L511-Y514 PolarHBondContact N-O 2.98Å; L511-Y514 PolarHBondContact O-N 3.04Å; D512-Y514 WeakPolarHBondContact O-CD2 3.13Å; D512-Y514 PolarHBondContact O-N 3.18Å; Y514-R530 HydrophobicContact CD1-CG 4.04Å; Y514-R530 HydrophobicContact CG-CG 4.42Å; Y514-I531 CarbonylContact C-O 3.55Å; Y514-I531 VanDerWaalsContact CA-O 3.3Å; Y514-I531 WeakPolarHBondContact CA-O 3.29Å; Y514-K532 HydrophobicContact CD1-CB 4.03Å; Y514-K532 HydrophobicContact CD1-CG 4.34Å; Y514-K532 HydrophobicContact CE1-CB 3.72Å; Y514-K532 HydrophobicContact CE1-CD 4.29Å; Y514-K532 HydrophobicContact CE1-CG 3.88Å |
| 515 | I | 86.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.9 | 169.5 | -59.7 | -179.3 | 0 | 0 | 0 | 108.3 | V481 I483 A508 I509 L510 V517 R530 I531 A533 | V481-I515 HydrophobicContact CG1-CB 4.5Å; V481-I515 HydrophobicContact CG1-CD1 3.46Å; V481-I515 VanDerWaalsContact CG1-CD1 3.46Å; V481-I515 HydrophobicContact CG1-CG2 4.05Å; I483-I515 HydrophobicContact CD1-CD1 3.6Å; I483-I515 HydrophobicContact CD1-CG1 4.49Å; I483-I515 HydrophobicContact CG1-CD1 3.7Å; A508-I515 HydrophobicContact CB-CG2 3.96Å; I509-I515 CarbonylContact O-C 3.58Å; I509-I515 WeakPolarHBondContact O-CA 3.36Å; L510-I515 HydrophobicContact CB-CG1 4.09Å; L510-I515 HydrophobicContact CD1-CD1 4.34Å; L510-I515 HydrophobicContact CD1-CG1 3.51Å; L510-I515 HydrophobicContact CG-CG1 4.24Å; I515-V517 HydrophobicContact CG2-CG2 3.83Å; I515-R530 WeakPolarHBondContact O-CA 3.33Å; I515-I531 PolarHBondContact N-O 2.87Å; I515-I531 PolarHBondContact O-N 2.93Å; I515-A533 HydrophobicContact CD1-CB 3.99Å; I515-A533 HydrophobicContact CG1-CB 4.03Å |
| 516 | T | 89 | Confident | 85.8 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.5 | 169.2 | -53.3 | 0 | 0 | 0 | 0 | 108.7 | A508 I509 L518 V529 V579 L584 | A508-T516 CarbonylContact C-O 3.5Å; A508-T516 WeakPolarHBondContact CA-O 3.22Å; I509-T516 PolarHBondContact N-O 2.99Å; I509-T516 PolarHBondContact O-N 2.85Å; T516-L518 HydrophobicContact CG2-CD2 4.18Å; T516-V529 CarbonylContact C-O 3.57Å; T516-V529 VanDerWaalsContact CA-O 3.3Å; T516-V529 WeakPolarHBondContact CA-O 3.13Å; T516-V579 HydrophobicContact CG2-CG2 4.39Å; T516-L584 HydrophobicContact CG2-CD1 4.38Å |
| 517 | V | 90.7 | Very high | 86 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.2 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | V481 I506 R507 A508 I515 A528 V529 I531 L556 F561 | V481-V517 HydrophobicContact CG2-CG2 3.66Å; I506-V517 HydrophobicContact CG2-CG1 3.67Å; R507-V517 CarbonylContact O-C 3.55Å; R507-V517 WeakPolarHBondContact O-CA 3.42Å; A508-V517 HydrophobicContact CB-CG2 4.28Å; I515-V517 HydrophobicContact CG2-CG2 3.83Å; V517-A528 CarbonylContact O-C 3.56Å; V517-A528 VanDerWaalsContact O-CA 3.29Å; V517-A528 WeakPolarHBondContact O-CA 3.4Å; V517-V529 HydrophobicContact CB-CG1 3.79Å; V517-V529 HydrophobicContact CG2-CG1 4.44Å; V517-V529 PolarHBondContact N-O 3.04Å; V517-V529 PolarHBondContact O-N 2.77Å; V517-I531 HydrophobicContact CG2-CD1 4.19Å; V517-L556 HydrophobicContact CG1-CD1 3.9Å; V517-L556 HydrophobicContact CG1-CD2 4.48Å; V517-L556 HydrophobicContact CG2-CD2 4.25Å; V517-F561 HydrophobicContact CG1-CZ 4.21Å |
| 518 | L | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.3 | 179.8 | -54.1 | 173.3 | 0 | 0 | 0 | 108.7 | I506 R507 I509 T516 V526 E527 A528 F574 I577 L584 | I506-L518 CarbonylContact C-O 3.54Å; I506-L518 WeakPolarHBondContact CA-O 3.46Å; R507-L518 HydrophobicContact CB-CB 4.48Å; R507-L518 PolarHBondContact N-O 3.47Å; R507-L518 PolarHBondContact O-N 2.85Å; I509-L518 HydrophobicContact CD1-CD1 4.16Å; T516-L518 HydrophobicContact CG2-CD2 4.18Å; L518-V526 HydrophobicContact CB-CG1 4.27Å; L518-V526 HydrophobicContact CD2-CG1 4.34Å; L518-E527 CarbonylContact C-O 3.58Å; L518-E527 WeakPolarHBondContact CA-O 3.34Å; L518-A528 HydrophobicContact CD2-CB 3.5Å; L518-F574 HydrophobicContact CB-CE2 3.96Å; L518-F574 HydrophobicContact CB-CZ 4.01Å; L518-I577 HydrophobicContact CD1-CB 3.91Å; L518-I577 HydrophobicContact CD1-CD1 4.1Å; L518-I577 HydrophobicContact CD1-CG2 3.5Å; L518-L584 HydrophobicContact CD1-CD1 4.23Å; L518-L584 HydrophobicContact CD2-CD1 4.05Å; L518-L584 HydrophobicContact CD2-CD2 3.93Å |
| 519 | R | 91.7 | Very high | 86.2 | Confident | 13 Ų | 13 | 34 Ų | 34 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.3 | 172.6 | 68.9 | 179.1 | -173.7 | -179.4 | 3.3 | 112.8 | Y504 K505 I506 V526 E527 D558 F561 | Y504-R519 HydrophobicContact CD1-CB 3.87Å; Y504-R519 HydrophobicContact CD1-CG 3.74Å; Y504-R519 HydrophobicContact CE1-CG 4.06Å; Y504-R519 HydrophobicContact CG-CB 4.24Å; Y504-R519 HydrophobicContact CG-CG 4.31Å; K505-R519 CarbonylContact O-C 3.47Å; K505-R519 VanDerWaalsContact O-CA 3.23Å; K505-R519 WeakPolarHBondContact O-CA 3.17Å; I506-R519 HydrophobicContact CG1-CB 4.06Å; R519-V526 WeakPolarHBondContact O-CA 3.36Å; R519-E527 HydrophobicContact CG-CB 3.93Å; R519-E527 IonicContact CZ-OE2 3.43Å; R519-E527 PolarHBondContact N-O 3.41Å; R519-E527 IonicContact NE-OE2 3.44Å; R519-E527 PolarHBondContact NE-OE2 3.09Å; R519-E527 IonicContact NH2-OE2 3.82Å; R519-E527 PolarHBondContact NH2-OE2 3.45Å; R519-E527 PolarHBondContact O-N 2.7Å; R519-D558 IonicContact CZ-OD1 3.76Å; R519-D558 IonicContact NH1-OD1 2.89Å; R519-D558 PolarHBondContact NH1-OD1 3.34Å; R519-D558 IonicContact NH2-OD1 2.67Å; R519-F561 HydrophobicContact CG-CD1 4.11Å; R519-F561 HydrophobicContact CG-CE1 3.81Å; R519-F561 HydrophobicContact CG-CZ 4.19Å |
| 520 | T | 92.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 146.5 | 176 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | Y504 K505 D522 G523 N525 F574 | Y504-T520 CarbonylContact C-O 3.48Å; Y504-T520 WeakPolarHBondContact CA-O 3.41Å; K505-T520 HydrophobicContact CB-CG2 4.21Å; K505-T520 PolarHBondContact N-O 3.28Å; K505-T520 PolarHBondContact O-N 2.8Å; T520-D522 PolarHBondContact OG1-OD1 2.94Å; T520-G523 WeakPolarHBondContact OG1-CA 3.48Å; T520-G523 PolarHBondContact OG1-N 3.28Å; T520-N525 VanDerWaalsContact CB-O 3.29Å; T520-N525 WeakPolarHBondContact CB-O 3.45Å; T520-N525 PolarHBondContact OG1-O 3.21Å; T520-F574 HydrophobicContact CG2-CB 4.33Å; T520-F574 HydrophobicContact CG2-CD1 4.06Å; T520-F574 HydrophobicContact CG2-CD2 3.43Å; T520-F574 VanDerWaalsContact CG2-CD2 3.43Å; T520-F574 HydrophobicContact CG2-CE1 4.2Å; T520-F574 HydrophobicContact CG2-CE2 3.59Å; T520-F574 HydrophobicContact CG2-CG 3.66Å; T520-F574 HydrophobicContact CG2-CZ 3.97Å |
| 521 | K | 88.6 | Confident | 86.6 | Confident | 112 Ų | 112 | 36.1 Ų | 36.1 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -98.1 | -34.3 | 172.4 | -80.7 | 179.6 | 177.9 | 168.7 | 0 | 112.9 | N501 S503 Y504 | N501-K521 PolarHBondContact ND2-NZ 3.41Å; S503-K521 WeakPolarHBondContact OG-CE 3.24Å; Y504-K521 HydrophobicContact CD1-CG 3.63Å; Y504-K521 HydrophobicContact CD2-CG 4.25Å; Y504-K521 HydrophobicContact CE1-CB 4.5Å; Y504-K521 HydrophobicContact CE1-CD 4.08Å; Y504-K521 HydrophobicContact CE1-CG 3.62Å; Y504-K521 HydrophobicContact CE2-CD 4.21Å; Y504-K521 HydrophobicContact CE2-CG 4.25Å; Y504-K521 HydrophobicContact CG-CG 3.94Å |
| 522 | D | 88.8 | Confident | 87 | Confident | 81 Ų | 81 | 40.6 Ų | 40.6 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -112.4 | -1.6 | -168.6 | 62.4 | -7.6 | 0 | 0 | 0 | 112.8 | T520 K524 N525 | T520-D522 PolarHBondContact OG1-OD1 2.94Å; D522-K524 PolarHBondContact O-N 2.91Å; D522-K524 PolarHBondContact OD1-N 3.25Å; D522-N525 PolarHBondContact OD1-N 3.19Å; D522-N525 PolarHBondContact OD2-ND2 3.18Å |
| 523 | G | 85.5 | Confident | 87.7 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 70.7 | 12.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | T520 | T520-G523 WeakPolarHBondContact OG1-CA 3.48Å; T520-G523 PolarHBondContact OG1-N 3.28Å |
| 524 | K | 88.7 | Confident | 87.8 | Confident | 107 Ų | 107 | 36.2 Ų | 36.2 | 47% | 0.465 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -128 | -49.2 | -178.5 | -64.7 | -175.8 | -175.4 | -177.8 | 0 | 112.5 | D522 Q568 I569 | D522-K524 PolarHBondContact O-N 2.91Å; D522-K524 PolarHBondContact OD1-N 3.25Å; K524-Q568 WeakPolarHBondContact O-CA 3.33Å; K524-I569 WeakPolarHBondContact O-CG1 3.45Å; K524-I569 PolarHBondContact O-N 3.45Å |
| 525 | N | 91.4 | Very high | 87.2 | Confident | 74 Ų | 74 | 32.7 Ų | 32.7 | 40% | 0.396 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.5 | 177.2 | -66.9 | -66 | 0 | 0 | 0 | 108.6 | T520 D522 Q568 | T520-N525 VanDerWaalsContact CB-O 3.29Å; T520-N525 WeakPolarHBondContact CB-O 3.45Å; T520-N525 PolarHBondContact OG1-O 3.21Å; D522-N525 PolarHBondContact OD1-N 3.19Å; D522-N525 PolarHBondContact OD2-ND2 3.18Å; N525-Q568 VanDerWaalsContact OD1-CG 3.28Å; N525-Q568 WeakPolarHBondContact OD1-CG 3.35Å; N525-Q568 PolarHBondContact OD1-NE2 3.03Å |
| 526 | V | 92.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.7 | -177.1 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | L518 R519 T566 F567 I569 F574 I577 | L518-V526 HydrophobicContact CB-CG1 4.27Å; L518-V526 HydrophobicContact CD2-CG1 4.34Å; R519-V526 WeakPolarHBondContact O-CA 3.36Å; V526-T566 CarbonylContact O-C 3.54Å; V526-T566 VanDerWaalsContact O-CA 3.23Å; V526-T566 WeakPolarHBondContact O-CA 3.33Å; V526-F567 HydrophobicContact CB-CD2 4.27Å; V526-F567 HydrophobicContact CB-CE1 4.15Å; V526-F567 HydrophobicContact CB-CE2 3.78Å; V526-F567 HydrophobicContact CB-CZ 3.69Å; V526-F567 HydrophobicContact CG1-CE1 3.92Å; V526-F567 HydrophobicContact CG1-CE2 3.98Å; V526-F567 HydrophobicContact CG1-CZ 3.42Å; V526-F567 VanDerWaalsContact CG1-CZ 3.42Å; V526-F567 HydrophobicContact CG2-CE2 4.28Å; V526-F567 PolarHBondContact N-O 3.15Å; V526-F567 PolarHBondContact O-N 3.06Å; V526-I569 HydrophobicContact CG2-CD1 3.74Å; V526-I569 HydrophobicContact CG2-CG1 3.88Å; V526-I569 HydrophobicContact CG2-CG2 3.88Å; V526-F574 HydrophobicContact CG1-CD2 4.48Å; V526-F574 HydrophobicContact CG1-CE2 4.06Å; V526-F574 HydrophobicContact CG2-CD2 3.86Å; V526-F574 HydrophobicContact CG2-CE2 4.21Å; V526-I577 HydrophobicContact CG1-CD1 4.26Å; V526-I577 HydrophobicContact CG2-CD1 4.18Å |
| 527 | E | 91.7 | Very high | 85 | Confident | 43 Ų | 43 | 38.8 Ų | 38.8 | 20% | 0.201 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.9 | 171.6 | -48.5 | 178.6 | -172.6 | 0 | 0 | 108.6 | Y504 L518 R519 F561 T566 | Y504-E527 PolarHBondContact OH-OE1 3.3Å; L518-E527 CarbonylContact C-O 3.58Å; L518-E527 WeakPolarHBondContact CA-O 3.34Å; R519-E527 HydrophobicContact CG-CB 3.93Å; R519-E527 IonicContact CZ-OE2 3.43Å; R519-E527 PolarHBondContact N-O 3.41Å; R519-E527 IonicContact NE-OE2 3.44Å; R519-E527 PolarHBondContact NE-OE2 3.09Å; R519-E527 IonicContact NH2-OE2 3.82Å; R519-E527 PolarHBondContact NH2-OE2 3.45Å; R519-E527 PolarHBondContact O-N 2.7Å; E527-F561 HydrophobicContact CB-CB 4.23Å; E527-F561 HydrophobicContact CB-CD1 3.79Å; E527-F561 HydrophobicContact CB-CG 4.35Å; E527-F561 WeakPolarHBondContact OE2-CB 2.93Å; E527-T566 HydrophobicContact CB-CG2 4.26Å; E527-T566 HydrophobicContact CG-CG2 3.8Å |
| 528 | A | 90.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | V517 L518 N565 F567 I603 | V517-A528 CarbonylContact O-C 3.56Å; V517-A528 VanDerWaalsContact O-CA 3.29Å; V517-A528 WeakPolarHBondContact O-CA 3.4Å; L518-A528 HydrophobicContact CD2-CB 3.5Å; A528-N565 PolarHBondContact N-O 2.85Å; A528-N565 WeakPolarHBondContact O-CB 3.05Å; A528-F567 HydrophobicContact CB-CE1 4.06Å; A528-I603 HydrophobicContact CB-CD1 3.83Å; A528-I603 HydrophobicContact CB-CG1 4.25Å |
| 529 | V | 88.9 | Confident | 82.4 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.7 | 169.8 | 64.3 | 0 | 0 | 0 | 0 | 109.1 | T516 V517 I531 L556 E560 F561 | T516-V529 CarbonylContact C-O 3.57Å; T516-V529 VanDerWaalsContact CA-O 3.3Å; T516-V529 WeakPolarHBondContact CA-O 3.13Å; V517-V529 HydrophobicContact CB-CG1 3.79Å; V517-V529 HydrophobicContact CG2-CG1 4.44Å; V517-V529 PolarHBondContact N-O 3.04Å; V517-V529 PolarHBondContact O-N 2.77Å; V529-I531 HydrophobicContact CG1-CD1 4.19Å; V529-I531 HydrophobicContact CG1-CG1 4.41Å; V529-I531 HydrophobicContact CG2-CG1 4.15Å; V529-L556 HydrophobicContact CG1-CD2 4.31Å; V529-E560 HydrophobicContact CG2-CB 4Å; V529-F561 HydrophobicContact CB-CD1 4.16Å; V529-F561 HydrophobicContact CB-CE1 4.09Å; V529-F561 HydrophobicContact CB-CZ 4.48Å; V529-F561 HydrophobicContact CG1-CD1 4.15Å; V529-F561 HydrophobicContact CG1-CE1 3.58Å; V529-F561 HydrophobicContact CG1-CE2 4.27Å; V529-F561 HydrophobicContact CG1-CZ 3.65Å |
| 530 | R | 86.3 | Confident | 81 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.9 | 175.8 | -169.3 | 174.1 | -178.2 | -174.8 | 2.1 | 109.8 | Y514 I515 G581 I603 | Y514-R530 HydrophobicContact CD1-CG 4.04Å; Y514-R530 HydrophobicContact CG-CG 4.42Å; I515-R530 WeakPolarHBondContact O-CA 3.33Å; R530-G581 PolarHBondContact NH2-O 2.76Å; R530-I603 HydrophobicContact CB-CB 4.39Å; R530-I603 HydrophobicContact CB-CG2 3.91Å |
| 531 | I | 86 | Confident | 79.4 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.3 | -174.6 | -58.7 | 159.1 | 0 | 0 | 0 | 108 | V481 Y514 I515 V517 V529 A533 Y552 L556 | V481-I531 HydrophobicContact CG2-CD1 4.3Å; Y514-I531 CarbonylContact C-O 3.55Å; Y514-I531 VanDerWaalsContact CA-O 3.3Å; Y514-I531 WeakPolarHBondContact CA-O 3.29Å; I515-I531 PolarHBondContact N-O 2.87Å; I515-I531 PolarHBondContact O-N 2.93Å; V517-I531 HydrophobicContact CG2-CD1 4.19Å; V529-I531 HydrophobicContact CG1-CD1 4.19Å; V529-I531 HydrophobicContact CG1-CG1 4.41Å; V529-I531 HydrophobicContact CG2-CG1 4.15Å; I531-A533 PolarHBondContact O-N 3.2Å; I531-Y552 VanDerWaalsContact CG2-OH 3.28Å; I531-Y552 WeakPolarHBondContact CG2-OH 3.49Å; I531-L556 HydrophobicContact CD1-CD2 3.62Å |
| 532 | K | 83.1 | Confident | 78 | Confident | 101 Ų | 101 | 49 Ų | 49 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.5 | 171.9 | -169.7 | 178 | -178.7 | -178.2 | 0 | 108.1 | Y514 Y552 | Y514-K532 HydrophobicContact CD1-CB 4.03Å; Y514-K532 HydrophobicContact CD1-CG 4.34Å; Y514-K532 HydrophobicContact CE1-CB 3.72Å; Y514-K532 HydrophobicContact CE1-CD 4.29Å; Y514-K532 HydrophobicContact CE1-CG 3.88Å; K532-Y552 PolarHBondContact O-OH 3.04Å |
| 533 | A | 81.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -97.6 | 125 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I483 S513 I515 I531 Y552 L721 | I483-A533 HydrophobicContact CD1-CB 3.4Å; S513-A533 PolarHBondContact O-N 3.44Å; I515-A533 HydrophobicContact CD1-CB 3.99Å; I515-A533 HydrophobicContact CG1-CB 4.03Å; I531-A533 PolarHBondContact O-N 3.2Å; A533-Y552 HydrophobicContact CB-CD1 4.29Å; A533-Y552 HydrophobicContact CB-CE1 4.07Å; A533-Y552 HydrophobicContact CB-CE2 4.47Å; A533-L721 HydrophobicContact CB-CD1 4.02Å | ||
| 534 | S | 77.3 | Confident | 74.9 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | trans | -143.8 | 145.2 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | Y552 L721 | S534-Y552 WeakPolarHBondContact O-CD2 3.07Å; S534-L721 CarbonylContact C-O 3.36Å; S534-L721 WeakPolarHBondContact CA-O 3.21Å | ||
| 535 | L | 68.3 | Low | 73.2 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 140.1 | 173.1 | -66.4 | 172.6 | 0 | 0 | 0 | 108 | M485 V540 I550 L721 Y722 T723 | M485-L535 HydrophobicContact CG-CD1 4.08Å; M485-L535 HydrophobicContact SD-CD1 3.63Å; L535-V540 HydrophobicContact CB-CG2 4.01Å; L535-V540 HydrophobicContact CD1-CG2 4.38Å; L535-I550 HydrophobicContact CD1-CG2 4.31Å; L535-I550 HydrophobicContact CD2-CG2 3.7Å; L535-L721 PolarHBondContact N-O 3.4Å; L535-Y722 WeakPolarHBondContact O-CA 3.18Å; L535-T723 PolarHBondContact O-N 3.46Å |
| 536 | E | 67.2 | Low | 71.8 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | trans | -72.6 | 141.5 | 173.6 | -66.8 | -174.9 | -179.1 | 0 | 0 | 109.9 | E538 D539 V540 T723 E726 | E536-E538 VanDerWaalsContact C-N 3.31Å; E536-E538 PolarHBondContact O-N 2.96Å; E536-D539 HydrophobicContact CB-CB 4.37Å; E536-D539 WeakPolarHBondContact O-CB 3.36Å; E536-D539 PolarHBondContact O-N 3.04Å; E536-V540 WeakPolarHBondContact O-CG2 3.24Å; E536-V540 PolarHBondContact O-N 2.75Å; E536-T723 HydrophobicContact CG-CG2 3.91Å; E536-E726 VanDerWaalsContact CA-OE2 3.25Å; E536-E726 WeakPolarHBondContact CA-OE2 3.25Å | ||
| 537 | Y | 62.7 | Low | 70.3 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.9 | 172.7 | -103 | 0 | 0 | 0 | 111.5 | D539 V540 E541 Y722 E726 Y729 I730 | Y537-D539 PolarHBondContact O-N 2.98Å; Y537-V540 PolarHBondContact O-N 3.46Å; Y537-V540 VanDerWaalsContact O-N 3.09Å; Y537-E541 HydrophobicContact CE1-CB 4.3Å; Y537-E541 WeakPolarHBondContact CE1-OE2 3Å; Y537-E541 WeakPolarHBondContact O-CB 3.42Å; Y537-E541 PolarHBondContact O-N 3.47Å; Y537-Y722 HydrophobicContact CD2-CD1 4.46Å; Y537-Y722 AromaticContact CD2-CE1 3.86Å; Y537-Y722 HydrophobicContact CD2-CE1 3.86Å; Y537-E726 VanDerWaalsContact N-CD 3.27Å; Y537-E726 PolarHBondContact N-OE1 3.27Å; Y537-E726 VanDerWaalsContact N-OE1 3.1Å; Y537-E726 PolarHBondContact N-OE2 3.11Å; Y537-Y729 HydrophobicContact CD1-CE1 4.28Å; Y537-Y729 HydrophobicContact CE1-CE1 4.32Å; Y537-I730 HydrophobicContact CD1-CG1 4.35Å; Y537-I730 HydrophobicContact CD2-CB 4.23Å; Y537-I730 HydrophobicContact CD2-CD1 3.66Å; Y537-I730 HydrophobicContact CD2-CG1 3.42Å; Y537-I730 VanDerWaalsContact CD2-CG1 3.42Å; Y537-I730 HydrophobicContact CD2-CG2 3.86Å; Y537-I730 HydrophobicContact CE2-CG1 4.12Å; Y537-I730 HydrophobicContact CE2-CG2 3.89Å; Y537-I730 HydrophobicContact CG-CD1 3.86Å; Y537-I730 HydrophobicContact CG-CG1 3.53Å |
| 538 | E | 64.6 | Low | 69.1 | Low | 110 Ų | 110 | 60.9 Ų | 60.9 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.2 | -37.7 | 178.8 | -70.7 | -168.1 | -174.8 | 0 | 0 | 111.7 | E536 K542 | E536-E538 VanDerWaalsContact C-N 3.31Å; E536-E538 PolarHBondContact O-N 2.96Å; E538-K542 WeakPolarHBondContact O-CB 3.11Å; E538-K542 WeakPolarHBondContact O-CD 3.46Å; E538-K542 WeakPolarHBondContact O-CG 3.24Å; E538-K542 PolarHBondContact O-N 2.84Å; E538-K542 IonicContact OE2-NZ 2.83Å; E538-K542 PolarHBondContact OE2-NZ 3.44Å |
| 539 | D | 64.4 | Low | 68.2 | Low | 61 Ų | 61 | 63.5 Ų | 63.5 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -59.1 | 173.7 | -68.2 | -18.8 | 0 | 0 | 0 | 107.7 | E536 Y537 E541 K542 A543 I550 | E536-D539 HydrophobicContact CB-CB 4.37Å; E536-D539 WeakPolarHBondContact O-CB 3.36Å; E536-D539 PolarHBondContact O-N 3.04Å; Y537-D539 PolarHBondContact O-N 2.98Å; D539-E541 PolarHBondContact O-N 2.74Å; D539-E541 VanDerWaalsContact O-N 3.08Å; D539-K542 CarbonylContact O-C 3.6Å; D539-K542 WeakPolarHBondContact O-CA 3.17Å; D539-K542 WeakPolarHBondContact O-CB 3.15Å; D539-K542 PolarHBondContact O-N 3.42Å; D539-K542 IonicContact OD1-NZ 3.8Å; D539-A543 PolarHBondContact O-N 2.91Å; D539-I550 HydrophobicContact CB-CD1 3.72Å; D539-I550 HydrophobicContact CB-CG1 4.38Å; D539-I550 WeakPolarHBondContact O-CD1 3.34Å |
| 540 | V | 62.1 | Low | 67.4 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50.2 | -42.8 | -179.1 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | L535 E536 Y537 A543 V544 I720 Y722 | L535-V540 HydrophobicContact CB-CG2 4.01Å; L535-V540 HydrophobicContact CD1-CG2 4.38Å; E536-V540 WeakPolarHBondContact O-CG2 3.24Å; E536-V540 PolarHBondContact O-N 2.75Å; Y537-V540 PolarHBondContact O-N 3.46Å; Y537-V540 VanDerWaalsContact O-N 3.09Å; V540-A543 PolarHBondContact O-N 3Å; V540-V544 VanDerWaalsContact O-CG2 3.29Å; V540-V544 WeakPolarHBondContact O-CG2 3.49Å; V540-V544 PolarHBondContact O-N 3.41Å; V540-I720 HydrophobicContact CG1-CG2 4.38Å; V540-I720 HydrophobicContact CG2-CG2 4.14Å; V540-Y722 HydrophobicContact CB-CE1 4.11Å; V540-Y722 HydrophobicContact CG1-CE1 4.18Å; V540-Y722 HydrophobicContact CG2-CE1 4.02Å |
| 541 | E | 57.1 | Low | 67 | Low | 90 Ų | 90 | 62.8 Ų | 62.8 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.5 | -173.3 | 174.4 | -154.8 | 0 | 0 | 112.1 | Y537 D539 A543 V544 M545 | Y537-E541 HydrophobicContact CE1-CB 4.3Å; Y537-E541 WeakPolarHBondContact CE1-OE2 3Å; Y537-E541 WeakPolarHBondContact O-CB 3.42Å; Y537-E541 PolarHBondContact O-N 3.47Å; D539-E541 PolarHBondContact O-N 2.74Å; D539-E541 VanDerWaalsContact O-N 3.08Å; E541-A543 PolarHBondContact O-N 2.55Å; E541-V544 PolarHBondContact O-N 3.07Å; E541-M545 HydrophobicContact CG-CG 4.17Å; E541-M545 VanDerWaalsContact O-CB 3.27Å; E541-M545 WeakPolarHBondContact O-CB 3.48Å; E541-M545 WeakPolarHBondContact O-CG 2.93Å; E541-M545 PolarHBondContact O-N 3.21Å |
| 542 | K | 59.6 | Low | 66.9 | Low | 72 Ų | 72 | 63.7 Ų | 63.7 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 173.4 | -71.9 | 163.2 | -162.2 | 155.3 | 0 | 111.8 | E538 D539 V544 M545 K546 | E538-K542 WeakPolarHBondContact O-CB 3.11Å; E538-K542 WeakPolarHBondContact O-CD 3.46Å; E538-K542 WeakPolarHBondContact O-CG 3.24Å; E538-K542 PolarHBondContact O-N 2.84Å; E538-K542 IonicContact OE2-NZ 2.83Å; E538-K542 PolarHBondContact OE2-NZ 3.44Å; D539-K542 CarbonylContact O-C 3.6Å; D539-K542 WeakPolarHBondContact O-CA 3.17Å; D539-K542 WeakPolarHBondContact O-CB 3.15Å; D539-K542 PolarHBondContact O-N 3.42Å; D539-K542 IonicContact OD1-NZ 3.8Å; K542-V544 PolarHBondContact O-N 3.37Å; K542-M545 PolarHBondContact O-N 3.32Å; K542-K546 WeakPolarHBondContact O-CA 3.22Å; K542-K546 VanDerWaalsContact O-CB 3.24Å; K542-K546 WeakPolarHBondContact O-CB 3.45Å; K542-K546 PolarHBondContact O-N 3.2Å |
| 543 | A | 56.4 | Low | 67.1 | Low | 7 Ų | 7 | 63.8 Ų | 63.8 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D539 V540 E541 N547 E548 I550 | D539-A543 PolarHBondContact O-N 2.91Å; V540-A543 PolarHBondContact O-N 3Å; E541-A543 PolarHBondContact O-N 2.55Å; A543-N547 WeakPolarHBondContact O-CA 2.71Å; A543-N547 PolarHBondContact O-N 2.68Å; A543-N547 VanDerWaalsContact O-N 3.08Å; A543-E548 WeakPolarHBondContact CA-O 3.39Å; A543-E548 WeakPolarHBondContact CB-O 3.41Å; A543-I550 HydrophobicContact CB-CB 4.23Å; A543-I550 HydrophobicContact CB-CD1 3.12Å; A543-I550 HydrophobicContact CB-CG1 3.68Å |
| 544 | V | 53.4 | Low | 67.4 | Low | 103 Ų | 103 | 65.8 Ų | 65.8 | 62% | 0.624 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 179 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | V540 E541 K542 | V540-V544 VanDerWaalsContact O-CG2 3.29Å; V540-V544 WeakPolarHBondContact O-CG2 3.49Å; V540-V544 PolarHBondContact O-N 3.41Å; E541-V544 PolarHBondContact O-N 3.07Å; K542-V544 PolarHBondContact O-N 3.37Å |
| 545 | M | 53.7 | Low | 67.8 | Low | 137 Ų | 137 | 69 Ų | 69 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -84 | -36 | -172.5 | -65.7 | -68.5 | -81.1 | 0 | 0 | 113.7 | E541 K542 | E541-M545 HydrophobicContact CG-CG 4.17Å; E541-M545 VanDerWaalsContact O-CB 3.27Å; E541-M545 WeakPolarHBondContact O-CB 3.48Å; E541-M545 WeakPolarHBondContact O-CG 2.93Å; E541-M545 PolarHBondContact O-N 3.21Å; K542-M545 PolarHBondContact O-N 3.32Å |
| 546 | K | 61.1 | Low | 68.7 | Low | 135 Ų | 135 | 68.8 Ų | 68.8 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -106.1 | -1 | -177.3 | -58 | -179.2 | 179.5 | 177.8 | 0 | 113.7 | K542 E548 | K542-K546 WeakPolarHBondContact O-CA 3.22Å; K542-K546 VanDerWaalsContact O-CB 3.24Å; K542-K546 WeakPolarHBondContact O-CB 3.45Å; K542-K546 PolarHBondContact O-N 3.2Å; K546-E548 HydrophobicContact CB-CG 3.85Å; K546-E548 HydrophobicContact CD-CG 4.48Å; K546-E548 WeakPolarHBondContact CD-OE1 3.41Å; K546-E548 IonicContact NZ-OE1 3.47Å; K546-E548 PolarHBondContact O-N 3.47Å |
| 547 | N | 60.6 | Low | 69.5 | Low | 103 Ų | 103 | 68.5 Ų | 68.5 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | trans | 54.9 | 29.7 | -172.1 | -147.5 | 35 | 0 | 0 | 0 | 112.6 | K486 A543 | K486-N547 PolarHBondContact NZ-OD1 3.42Å; A543-N547 WeakPolarHBondContact O-CA 2.71Å; A543-N547 PolarHBondContact O-N 2.68Å; A543-N547 VanDerWaalsContact O-N 3.08Å | ||
| 548 | E | 67.5 | Low | 70.4 | Confident | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | trans | -72.6 | 151.1 | 173.9 | -77.9 | 175.1 | -169.1 | 0 | 0 | 110.4 | A543 K546 | A543-E548 WeakPolarHBondContact CA-O 3.39Å; A543-E548 WeakPolarHBondContact CB-O 3.41Å; K546-E548 HydrophobicContact CB-CG 3.85Å; K546-E548 HydrophobicContact CD-CG 4.48Å; K546-E548 WeakPolarHBondContact CD-OE1 3.41Å; K546-E548 IonicContact NZ-OE1 3.47Å; K546-E548 PolarHBondContact O-N 3.47Å | ||
| 549 | V | 70.2 | Confident | 71.2 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | trans | -83.1 | 120.5 | -177.1 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | D489 K492 V493 | D489-V549 HydrophobicContact CB-CG1 4.06Å; D489-V549 HydrophobicContact CB-CG2 4.29Å; K492-V549 HydrophobicContact CB-CG1 4.26Å; K492-V549 HydrophobicContact CB-CG2 3.64Å; K492-V549 HydrophobicContact CD-CG2 3.29Å; K492-V549 HydrophobicContact CG-CG2 4.12Å; V493-V549 HydrophobicContact CG2-CG1 3.44Å; V493-V549 VanDerWaalsContact CG2-CG1 3.44Å | ||
| 550 | I | 72 | Confident | 72.1 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | trans | -116.4 | 124 | 172.3 | -68.5 | 170.3 | 0 | 0 | 0 | 109.9 | L535 D539 A543 | L535-I550 HydrophobicContact CD1-CG2 4.31Å; L535-I550 HydrophobicContact CD2-CG2 3.7Å; D539-I550 HydrophobicContact CB-CD1 3.72Å; D539-I550 HydrophobicContact CB-CG1 4.38Å; D539-I550 WeakPolarHBondContact O-CD1 3.34Å; A543-I550 HydrophobicContact CB-CB 4.23Å; A543-I550 HydrophobicContact CB-CD1 3.12Å; A543-I550 HydrophobicContact CB-CG1 3.68Å | ||
| 551 | A | 77.7 | Confident | 73.2 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I483 V484 V493 K553 | I483-A551 CarbonylContact O-C 3.56Å; I483-A551 WeakPolarHBondContact O-CA 3.36Å; V484-A551 HydrophobicContact CG2-CB 4.06Å; V493-A551 HydrophobicContact CB-CB 4.39Å; V493-A551 HydrophobicContact CG1-CB 3.68Å; V493-A551 HydrophobicContact CG2-CB 3.63Å; A551-K553 HydrophobicContact CB-CG 4.44Å |
| 552 | Y | 84.7 | Confident | 74.3 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.3 | 158.6 | 176.6 | -98.2 | 0 | 0 | 0 | 107.4 | V481 F482 I483 I531 K532 A533 S534 H554 | V481-Y552 HydrophobicContact CG1-CE1 4.41Å; F482-Y552 CarbonylContact C-O 3.58Å; F482-Y552 WeakPolarHBondContact CA-O 3.04Å; I483-Y552 HydrophobicContact CD1-CD1 3.81Å; I483-Y552 HydrophobicContact CD1-CG 4.04Å; I483-Y552 HydrophobicContact CG1-CD1 4.24Å; I483-Y552 PolarHBondContact N-O 2.98Å; I483-Y552 PolarHBondContact O-N 3.12Å; I531-Y552 VanDerWaalsContact CG2-OH 3.28Å; I531-Y552 WeakPolarHBondContact CG2-OH 3.49Å; K532-Y552 PolarHBondContact O-OH 3.04Å; A533-Y552 HydrophobicContact CB-CD1 4.29Å; A533-Y552 HydrophobicContact CB-CE1 4.07Å; A533-Y552 HydrophobicContact CB-CE2 4.47Å; S534-Y552 WeakPolarHBondContact O-CD2 3.07Å; Y552-H554 HydrophobicContact CE1-CB 3.71Å |
| 553 | K | 86.6 | Confident | 75 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.1 | 173.7 | -63.1 | -179.8 | -173.4 | 179.8 | 0 | 109.1 | T480 V481 K494 L495 A551 | T480-K553 HydrophobicContact CG2-CB 4.23Å; V481-K553 CarbonylContact O-C 3.59Å; V481-K553 WeakPolarHBondContact O-CA 3.32Å; K494-K553 PolarHBondContact O-NZ 3.34Å; L495-K553 HydrophobicContact CD2-CD 4.4Å; L495-K553 HydrophobicContact CD2-CG 4.38Å; A551-K553 HydrophobicContact CB-CG 4.44Å |
| 554 | H | 87.6 | Confident | 76 | Confident | 43 Ų | 43 | 76.7 Ų | 76.7 | 20% | 0.199 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.6 | 171.8 | -178.6 | 84 | 0 | 0 | 0 | 109.8 | V481 Y552 L556 E560 | V481-H554 HydrophobicContact CB-CB 4.23Å; V481-H554 PolarHBondContact N-O 3.46Å; V481-H554 PolarHBondContact O-N 2.81Å; Y552-H554 HydrophobicContact CE1-CB 3.71Å; H554-L556 PolarHBondContact O-N 2.92Å; H554-E560 IonicContact CD2-OE2 3.54Å; H554-E560 IonicContact CE1-OE1 2.69Å; H554-E560 PolarHBondContact CE1-OE1 2.81Å; H554-E560 VanDerWaalsContact NE2-CD 3.28Å; H554-E560 IonicContact NE2-OE1 2.67Å; H554-E560 PolarHBondContact NE2-OE1 2.81Å; H554-E560 IonicContact NE2-OE2 2.63Å; H554-E560 PolarHBondContact NE2-OE2 2.98Å |
| 555 | K | 87.1 | Confident | 77.5 | Confident | 109 Ų | 109 | 72 Ų | 72 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 111 | 179 | -67.1 | -171.6 | 169.4 | -175.2 | 0 | 108.3 | E496 T498 L557 | E496-K555 IonicContact OE2-NZ 3.58Å; E496-K555 PolarHBondContact OE2-NZ 2.69Å; T498-K555 HydrophobicContact CG2-CB 3.59Å; T498-K555 HydrophobicContact CG2-CD 3.72Å; T498-K555 HydrophobicContact CG2-CG 3.45Å; T498-K555 VanDerWaalsContact CG2-CG 3.45Å; K555-L557 PolarHBondContact O-N 3.32Å |
| 556 | L | 86.1 | Confident | 79.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -69.4 | 130.2 | 178.6 | -66.7 | 167.8 | 0 | 0 | 0 | 110.4 | V476 C479 V481 V517 V529 I531 H554 F561 | V476-L556 HydrophobicContact CG1-CD1 4.11Å; C479-L556 HydrophobicContact CB-CB 4.26Å; C479-L556 HydrophobicContact CB-CD1 4.48Å; C479-L556 VanDerWaalsContact O-CB 3.3Å; C479-L556 WeakPolarHBondContact O-CB 3.36Å; C479-L556 WeakPolarHBondContact O-CG 3.33Å; C479-L556 PolarHBondContact O-N 3.36Å; V481-L556 HydrophobicContact CG2-CD1 3.8Å; V481-L556 HydrophobicContact CG2-CD2 3.77Å; V481-L556 HydrophobicContact CG2-CG 3.75Å; V517-L556 HydrophobicContact CG1-CD1 3.9Å; V517-L556 HydrophobicContact CG1-CD2 4.48Å; V517-L556 HydrophobicContact CG2-CD2 4.25Å; V529-L556 HydrophobicContact CG1-CD2 4.31Å; I531-L556 HydrophobicContact CD1-CD2 3.62Å; H554-L556 PolarHBondContact O-N 2.92Å; L556-F561 HydrophobicContact CD2-CZ 4.44Å | ||
| 557 | L | 83.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | trans | -111.9 | 144.9 | 172.7 | -56.5 | 173.5 | 0 | 0 | 0 | 109.9 | K555 S559 E560 | K555-L557 PolarHBondContact O-N 3.32Å; L557-S559 PolarHBondContact O-N 3.44Å; L557-S559 VanDerWaalsContact O-N 3.1Å; L557-E560 HydrophobicContact CB-CG 4.17Å; L557-E560 WeakPolarHBondContact O-CB 3.47Å; L557-E560 PolarHBondContact O-N 2.81Å | ||
| 558 | D | 82.2 | Confident | 81.8 | Confident | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -58.2 | -27.5 | 177.5 | -73 | -19.9 | 0 | 0 | 0 | 112.5 | R519 E560 F561 | R519-D558 IonicContact CZ-OD1 3.76Å; R519-D558 IonicContact NH1-OD1 2.89Å; R519-D558 PolarHBondContact NH1-OD1 3.34Å; R519-D558 IonicContact NH2-OD1 2.67Å; D558-E560 VanDerWaalsContact C-N 3.3Å; D558-E560 PolarHBondContact O-N 3.2Å; D558-F561 PolarHBondContact O-N 2.78Å |
| 559 | S | 81.3 | Confident | 83 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -70.3 | -19 | 177.7 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | L557 F561 | L557-S559 PolarHBondContact O-N 3.44Å; L557-S559 VanDerWaalsContact O-N 3.1Å; S559-F561 VanDerWaalsContact C-N 3.28Å |
| 560 | E | 84.1 | Confident | 83.9 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -75.8 | -21.2 | 177.9 | -58.1 | -173.4 | 135.1 | 0 | 0 | 112.3 | V529 H554 L557 D558 E562 | V529-E560 HydrophobicContact CG2-CB 4Å; H554-E560 IonicContact CD2-OE2 3.54Å; H554-E560 IonicContact CE1-OE1 2.69Å; H554-E560 PolarHBondContact CE1-OE1 2.81Å; H554-E560 VanDerWaalsContact NE2-CD 3.28Å; H554-E560 IonicContact NE2-OE1 2.67Å; H554-E560 PolarHBondContact NE2-OE1 2.81Å; H554-E560 IonicContact NE2-OE2 2.63Å; H554-E560 PolarHBondContact NE2-OE2 2.98Å; L557-E560 HydrophobicContact CB-CG 4.17Å; L557-E560 WeakPolarHBondContact O-CB 3.47Å; L557-E560 PolarHBondContact O-N 2.81Å; D558-E560 VanDerWaalsContact C-N 3.3Å; D558-E560 PolarHBondContact O-N 3.2Å; E560-E562 PolarHBondContact O-N 2.96Å; E560-E562 VanDerWaalsContact O-N 3.08Å |
| 561 | F | 84.7 | Confident | 84.6 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -83.5 | 82.6 | 176.4 | -65.4 | -89.2 | 0 | 0 | 0 | 109.5 | V517 R519 E527 V529 L556 D558 S559 K563 | V517-F561 HydrophobicContact CG1-CZ 4.21Å; R519-F561 HydrophobicContact CG-CD1 4.11Å; R519-F561 HydrophobicContact CG-CE1 3.81Å; R519-F561 HydrophobicContact CG-CZ 4.19Å; E527-F561 HydrophobicContact CB-CB 4.23Å; E527-F561 HydrophobicContact CB-CD1 3.79Å; E527-F561 HydrophobicContact CB-CG 4.35Å; E527-F561 WeakPolarHBondContact OE2-CB 2.93Å; V529-F561 HydrophobicContact CB-CD1 4.16Å; V529-F561 HydrophobicContact CB-CE1 4.09Å; V529-F561 HydrophobicContact CB-CZ 4.48Å; V529-F561 HydrophobicContact CG1-CD1 4.15Å; V529-F561 HydrophobicContact CG1-CE1 3.58Å; V529-F561 HydrophobicContact CG1-CE2 4.27Å; V529-F561 HydrophobicContact CG1-CZ 3.65Å; L556-F561 HydrophobicContact CD2-CZ 4.44Å; D558-F561 PolarHBondContact O-N 2.78Å; S559-F561 VanDerWaalsContact C-N 3.28Å; F561-K563 PolarHBondContact O-N 3.02Å |
| 562 | E | 79.3 | Confident | 84.7 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | trans | -57.9 | 134.7 | 176.7 | -65.7 | 177.5 | -162 | 0 | 0 | 110.7 | E560 N564 N565 | E560-E562 PolarHBondContact O-N 2.96Å; E560-E562 VanDerWaalsContact O-N 3.08Å; E562-N564 PolarHBondContact O-N 3.21Å; E562-N565 PolarHBondContact O-N 3.38Å | ||
| 563 | K | 75.3 | Confident | 84.9 | Confident | 186 Ų | 186 | 64.5 Ų | 64.5 | 81% | 0.809 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -50.8 | -29.5 | 173.3 | -72.6 | -174.4 | 179.2 | -180 | 0 | 112.2 | F561 N565 T566 | F561-K563 PolarHBondContact O-N 3.02Å; K563-N565 VanDerWaalsContact C-N 3.3Å; K563-N565 PolarHBondContact O-N 2.7Å; K563-T566 WeakPolarHBondContact O-CB 3.34Å; K563-T566 WeakPolarHBondContact O-CG2 3.13Å; K563-T566 PolarHBondContact O-N 3.12Å; K563-T566 PolarHBondContact O-OG1 3.08Å |
| 564 | N | 78.1 | Confident | 85 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -67.4 | -27.9 | 177.3 | -70.9 | -27 | 0 | 0 | 0 | 113.6 | E562 T566 L607 K609 | E562-N564 PolarHBondContact O-N 3.21Å; N564-T566 PolarHBondContact O-N 3.43Å; N564-L607 WeakPolarHBondContact ND2-CD2 3.33Å; N564-K609 WeakPolarHBondContact O-CE 3.43Å; N564-K609 PolarHBondContact O-NZ 2.85Å |
| 565 | N | 84.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -87.8 | 12.7 | 178.6 | -67.1 | -38.1 | 0 | 0 | 0 | 113 | A528 E562 K563 F567 T604 | A528-N565 PolarHBondContact N-O 2.85Å; A528-N565 WeakPolarHBondContact O-CB 3.05Å; E562-N565 PolarHBondContact O-N 3.38Å; K563-N565 VanDerWaalsContact C-N 3.3Å; K563-N565 PolarHBondContact O-N 2.7Å; N565-F567 WeakPolarHBondContact O-CD1 3.18Å; N565-T604 PolarHBondContact ND2-O 3.11Å; N565-T604 PolarHBondContact OD1-O 3.25Å |
| 566 | T | 87.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 36% | 0.362 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 139.9 | 175.4 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | V526 E527 K563 N564 R601 | V526-T566 CarbonylContact O-C 3.54Å; V526-T566 VanDerWaalsContact O-CA 3.23Å; V526-T566 WeakPolarHBondContact O-CA 3.33Å; E527-T566 HydrophobicContact CB-CG2 4.26Å; E527-T566 HydrophobicContact CG-CG2 3.8Å; K563-T566 WeakPolarHBondContact O-CB 3.34Å; K563-T566 WeakPolarHBondContact O-CG2 3.13Å; K563-T566 PolarHBondContact O-N 3.12Å; K563-T566 PolarHBondContact O-OG1 3.08Å; N564-T566 PolarHBondContact O-N 3.43Å; T566-R601 VanDerWaalsContact C-NH1 3.33Å; T566-R601 PolarHBondContact O-NH1 3.03Å; T566-R601 PolarHBondContact O-NH2 3.34Å |
| 567 | F | 89.1 | Confident | 84.7 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.7 | 178 | 53.5 | -78.5 | 0 | 0 | 0 | 111.1 | V526 A528 N565 I569 I577 L584 Y586 | V526-F567 HydrophobicContact CB-CD2 4.27Å; V526-F567 HydrophobicContact CB-CE1 4.15Å; V526-F567 HydrophobicContact CB-CE2 3.78Å; V526-F567 HydrophobicContact CB-CZ 3.69Å; V526-F567 HydrophobicContact CG1-CE1 3.92Å; V526-F567 HydrophobicContact CG1-CE2 3.98Å; V526-F567 HydrophobicContact CG1-CZ 3.42Å; V526-F567 VanDerWaalsContact CG1-CZ 3.42Å; V526-F567 HydrophobicContact CG2-CE2 4.28Å; V526-F567 PolarHBondContact N-O 3.15Å; V526-F567 PolarHBondContact O-N 3.06Å; A528-F567 HydrophobicContact CB-CE1 4.06Å; N565-F567 WeakPolarHBondContact O-CD1 3.18Å; F567-I569 HydrophobicContact CD2-CG2 3.75Å; F567-I569 HydrophobicContact CE2-CG2 3.57Å; F567-I577 HydrophobicContact CE2-CD1 4.28Å; F567-I577 HydrophobicContact CZ-CD1 4.46Å; F567-L584 HydrophobicContact CE1-CD2 3.61Å; F567-L584 HydrophobicContact CE2-CD2 4.17Å; F567-L584 HydrophobicContact CZ-CD2 3.29Å; F567-Y586 HydrophobicContact CB-CE2 4.49Å; F567-Y586 AromaticContact CD2-CD1 3.86Å; F567-Y586 HydrophobicContact CD2-CD1 3.86Å; F567-Y586 AromaticContact CD2-CD2 3.72Å; F567-Y586 HydrophobicContact CD2-CD2 3.72Å; F567-Y586 AromaticContact CD2-CE1 3.84Å; F567-Y586 HydrophobicContact CD2-CE1 3.84Å; F567-Y586 AromaticContact CD2-CE2 3.68Å; F567-Y586 HydrophobicContact CD2-CE2 3.68Å; F567-Y586 AromaticContact CD2-CG 3.8Å; F567-Y586 HydrophobicContact CD2-CG 3.8Å; F567-Y586 AromaticContact CD2-CZ 3.74Å; F567-Y586 AromaticContact CE2-CD1 3.72Å; F567-Y586 HydrophobicContact CE2-CD1 3.72Å; F567-Y586 HydrophobicContact CE2-CD2 4.02Å; F567-Y586 HydrophobicContact CE2-CE1 4.14Å; F567-Y586 HydrophobicContact CE2-CE2 4.39Å; F567-Y586 AromaticContact CE2-CG 3.66Å; F567-Y586 HydrophobicContact CE2-CG 3.66Å; F567-Y586 HydrophobicContact CG-CE1 4.26Å; F567-Y586 HydrophobicContact CG-CE2 4.4Å; F567-Y586 HydrophobicContact CZ-CD1 4.42Å |
| 568 | Q | 90.3 | Very high | 84.8 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.2 | 174.8 | -73.4 | 178.9 | -9 | 0 | 0 | 110.6 | K524 N525 | K524-Q568 WeakPolarHBondContact O-CA 3.33Å; N525-Q568 VanDerWaalsContact OD1-CG 3.28Å; N525-Q568 WeakPolarHBondContact OD1-CG 3.35Å; N525-Q568 PolarHBondContact OD1-NE2 3.03Å |
| 569 | I | 92.3 | Very high | 84.6 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | trans | -116.3 | 164.3 | 173.9 | 63.1 | 167.2 | 0 | 0 | 0 | 110.3 | K524 V526 F567 F574 I577 Y586 Q587 | K524-I569 WeakPolarHBondContact O-CG1 3.45Å; K524-I569 PolarHBondContact O-N 3.45Å; V526-I569 HydrophobicContact CG2-CD1 3.74Å; V526-I569 HydrophobicContact CG2-CG1 3.88Å; V526-I569 HydrophobicContact CG2-CG2 3.88Å; F567-I569 HydrophobicContact CD2-CG2 3.75Å; F567-I569 HydrophobicContact CE2-CG2 3.57Å; I569-F574 VanDerWaalsContact CD1-CA 3.45Å; I569-F574 HydrophobicContact CD1-CB 3.81Å; I569-F574 HydrophobicContact CD1-CD2 4.34Å; I569-I577 HydrophobicContact CD1-CD1 4.35Å; I569-I577 HydrophobicContact CG2-CD1 4.13Å; I569-Y586 HydrophobicContact CG2-CD2 3.84Å; I569-Y586 HydrophobicContact CG2-CG 4.17Å; I569-Q587 CarbonylContact C-O 3.56Å; I569-Q587 VanDerWaalsContact CA-O 3.27Å; I569-Q587 WeakPolarHBondContact CA-O 3.12Å; I569-Q587 WeakPolarHBondContact CB-O 2.73Å | ||
| 570 | A | 88.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | trans | -61.2 | 148.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N572 T573 Q587 | A570-N572 PolarHBondContact O-N 3.11Å; A570-T573 HydrophobicContact CB-CG2 3.74Å; A570-T573 PolarHBondContact O-N 3.36Å; A570-T573 PolarHBondContact O-OG1 3.11Å; A570-Q587 HydrophobicContact CB-CB 4.43Å; A570-Q587 HydrophobicContact CB-CG 3.86Å; A570-Q587 PolarHBondContact N-O 3.03Å | ||
| 571 | P | 85.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 43 Ų | 43 | 40% | 0.403 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 139.7 | 178 | -21.6 | 31.9 | 0 | 0 | 0 | 111.5 | T573 | P571-T573 PolarHBondContact O-N 3.3Š|
| 572 | N | 81.5 | Confident | 83 | Confident | 148 Ų | 148 | 46.7 Ų | 46.7 | 79% | 0.791 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 15.2 | 178.2 | -53.5 | -32.2 | 0 | 0 | 0 | 115.5 | A570 | A570-N572 PolarHBondContact O-N 3.11Š|
| 573 | T | 87.1 | Confident | 83.1 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 8% | 0.08 | 24% | 0.24 | C | C | . | . | trans | -106.2 | 19.1 | 179.5 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | A570 P571 D575 T576 Q587 | A570-T573 HydrophobicContact CB-CG2 3.74Å; A570-T573 PolarHBondContact O-N 3.36Å; A570-T573 PolarHBondContact O-OG1 3.11Å; P571-T573 PolarHBondContact O-N 3.3Å; T573-D575 VanDerWaalsContact C-N 3.3Å; T573-D575 PolarHBondContact O-N 3.33Å; T573-T576 WeakPolarHBondContact CB-OG1 3.43Å; T573-T576 PolarHBondContact O-N 2.98Å; T573-T576 PolarHBondContact O-OG1 2.87Å; T573-Q587 HydrophobicContact CG2-CB 4.35Å; T573-Q587 HydrophobicContact CG2-CG 4.46Å | ||
| 574 | F | 88.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -63.4 | -38.4 | -179.8 | 179.4 | -105.7 | 0 | 0 | 0 | 112.1 | K505 R507 L518 T520 V526 I569 T576 I577 | K505-F574 HydrophobicContact CB-CE1 4.48Å; K505-F574 HydrophobicContact CD-CD1 3.82Å; K505-F574 HydrophobicContact CD-CE1 4.04Å; K505-F574 HydrophobicContact CG-CD1 4.17Å; K505-F574 HydrophobicContact CG-CE1 3.86Å; R507-F574 HydrophobicContact CB-CE1 3.85Å; R507-F574 HydrophobicContact CB-CZ 3.95Å; L518-F574 HydrophobicContact CB-CE2 3.96Å; L518-F574 HydrophobicContact CB-CZ 4.01Å; T520-F574 HydrophobicContact CG2-CB 4.33Å; T520-F574 HydrophobicContact CG2-CD1 4.06Å; T520-F574 HydrophobicContact CG2-CD2 3.43Å; T520-F574 VanDerWaalsContact CG2-CD2 3.43Å; T520-F574 HydrophobicContact CG2-CE1 4.2Å; T520-F574 HydrophobicContact CG2-CE2 3.59Å; T520-F574 HydrophobicContact CG2-CG 3.66Å; T520-F574 HydrophobicContact CG2-CZ 3.97Å; V526-F574 HydrophobicContact CG1-CD2 4.48Å; V526-F574 HydrophobicContact CG1-CE2 4.06Å; V526-F574 HydrophobicContact CG2-CD2 3.86Å; V526-F574 HydrophobicContact CG2-CE2 4.21Å; I569-F574 VanDerWaalsContact CD1-CA 3.45Å; I569-F574 HydrophobicContact CD1-CB 3.81Å; I569-F574 HydrophobicContact CD1-CD2 4.34Å; F574-T576 PolarHBondContact O-N 3.34Å; F574-I577 HydrophobicContact CD2-CD1 3.97Å; F574-I577 HydrophobicContact CE2-CD1 4.43Å; F574-I577 WeakPolarHBondContact O-CG1 3.43Å; F574-I577 PolarHBondContact O-N 3.29Å |
| 575 | D | 84.7 | Confident | 84 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -78 | -4.5 | -178.2 | -58.2 | -41.2 | 0 | 0 | 0 | 112.7 | K505 R507 T573 S629 A630 F674 | K505-D575 WeakPolarHBondContact CE-OD1 3.34Å; K505-D575 IonicContact NZ-OD1 2.7Å; K505-D575 PolarHBondContact NZ-OD1 2.78Å; K505-D575 IonicContact NZ-OD2 3.45Å; K505-D575 PolarHBondContact NZ-OD2 3.46Å; R507-D575 PolarHBondContact NH1-O 2.86Å; T573-D575 VanDerWaalsContact C-N 3.3Å; T573-D575 PolarHBondContact O-N 3.33Å; D575-S629 CarbonylContact O-C 3.53Å; D575-S629 VanDerWaalsContact O-CA 3.24Å; D575-S629 WeakPolarHBondContact O-CA 2.82Å; D575-S629 WeakPolarHBondContact O-CB 2.9Å; D575-A630 PolarHBondContact O-N 2.83Å; D575-F674 HydrophobicContact CB-CZ 4.21Å |
| 576 | T | 83.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -98.4 | -4.1 | 179.6 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | T573 F574 H578 M627 A630 | T573-T576 WeakPolarHBondContact CB-OG1 3.43Å; T573-T576 PolarHBondContact O-N 2.98Å; T573-T576 PolarHBondContact O-OG1 2.87Å; F574-T576 PolarHBondContact O-N 3.34Å; T576-H578 PolarHBondContact O-ND1 3.43Å; T576-M627 HydrophobicContact CG2-CB 4.49Å; T576-M627 HydrophobicContact CG2-CE 3.8Å; T576-M627 HydrophobicContact CG2-CG 3.72Å; T576-M627 HydrophobicContact CG2-SD 3.98Å; T576-A630 WeakPolarHBondContact O-CB 3.17Å |
| 577 | I | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -66 | 139.8 | 175.4 | -55.9 | 174.2 | 0 | 0 | 0 | 109.5 | R507 L518 V526 F567 I569 F574 L584 Y585 | R507-I577 PolarHBondContact NH1-O 3.01Å; R507-I577 PolarHBondContact NH2-O 3.07Å; L518-I577 HydrophobicContact CD1-CB 3.91Å; L518-I577 HydrophobicContact CD1-CD1 4.1Å; L518-I577 HydrophobicContact CD1-CG2 3.5Å; V526-I577 HydrophobicContact CG1-CD1 4.26Å; V526-I577 HydrophobicContact CG2-CD1 4.18Å; F567-I577 HydrophobicContact CE2-CD1 4.28Å; F567-I577 HydrophobicContact CZ-CD1 4.46Å; I569-I577 HydrophobicContact CD1-CD1 4.35Å; I569-I577 HydrophobicContact CG2-CD1 4.13Å; F574-I577 HydrophobicContact CD2-CD1 3.97Å; F574-I577 HydrophobicContact CE2-CD1 4.43Å; F574-I577 WeakPolarHBondContact O-CG1 3.43Å; F574-I577 PolarHBondContact O-N 3.29Å; I577-L584 HydrophobicContact CG2-CD1 3.43Å; I577-L584 VanDerWaalsContact CG2-CD1 3.43Å; I577-L584 HydrophobicContact CG2-CD2 4.12Å; I577-L584 HydrophobicContact CG2-CG 3.72Å; I577-Y585 WeakPolarHBondContact CA-O 3.38Å; I577-Y585 WeakPolarHBondContact CG2-O 3.19Å | ||
| 578 | H | 85 | Confident | 84.1 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 165.2 | 177.9 | 58.9 | -89 | 0 | 0 | 0 | 112.1 | T576 L584 Y585 A630 V639 Y641 | T576-H578 PolarHBondContact O-ND1 3.43Å; H578-L584 CarbonylContact O-C 3.57Å; H578-L584 WeakPolarHBondContact O-CA 3.29Å; H578-Y585 PolarHBondContact N-O 3.35Å; H578-Y585 VanDerWaalsContact NE2-CB 3.27Å; H578-Y585 WeakPolarHBondContact NE2-CB 3.42Å; H578-Y585 AromaticContact NE2-CG 3.64Å; H578-Y585 PolarHBondContact O-N 3.17Å; H578-A630 HydrophobicContact CB-CB 4.41Å; H578-V639 HydrophobicContact CB-CG1 4.15Å; H578-V639 HydrophobicContact CB-CG2 4.44Å; H578-V639 WeakPolarHBondContact CD2-CG2 3.49Å; H578-Y641 AromaticContact CE1-CE1 3.99Å; H578-Y641 PolarHBondContact CE1-OH 3.06Å |
| 579 | V | 77.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.7 | -180 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | I509 L511 T516 Y583 L584 | I509-V579 HydrophobicContact CB-CG2 4.07Å; I509-V579 HydrophobicContact CD1-CG2 3.86Å; I509-V579 HydrophobicContact CG2-CB 3.89Å; I509-V579 HydrophobicContact CG2-CG2 3.88Å; L511-V579 HydrophobicContact CD2-CG1 4.18Å; T516-V579 HydrophobicContact CG2-CG2 4.39Å; V579-Y583 WeakPolarHBondContact CA-O 3.47Å; V579-L584 HydrophobicContact CG2-CD1 3.62Å |
| 580 | I | 72.2 | Confident | 83.4 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 35% | 0.349 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116 | 169 | -55.7 | 173.4 | 0 | 0 | 0 | 108.1 | E582 Y583 Y585 Y632 V639 | I580-E582 PolarHBondContact O-N 3.4Å; I580-E582 VanDerWaalsContact O-N 3.15Å; I580-Y583 PolarHBondContact N-O 3.12Å; I580-Y583 PolarHBondContact O-N 2.69Å; I580-Y583 VanDerWaalsContact O-N 3.09Å; I580-Y585 HydrophobicContact CB-CD2 4.4Å; I580-Y585 HydrophobicContact CB-CE2 3.85Å; I580-Y585 HydrophobicContact CD1-CD2 4.42Å; I580-Y585 HydrophobicContact CD1-CE2 4.18Å; I580-Y585 HydrophobicContact CG1-CD2 4.35Å; I580-Y585 HydrophobicContact CG1-CE2 4.19Å; I580-Y632 HydrophobicContact CG1-CD2 4.5Å; I580-V639 HydrophobicContact CD1-CG2 3.72Å; I580-V639 HydrophobicContact CG1-CG2 3.96Å |
| 581 | G | 71.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 41 Ų | 41 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -112.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L511 R530 | L511-G581 VanDerWaalsContact CD2-N 3.26Å; R530-G581 PolarHBondContact NH2-O 2.76Å |
| 582 | E | 73.5 | Confident | 82.3 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 1.8 | 179.3 | -58.3 | -172.7 | 145.6 | 0 | 0 | 114.4 | I580 K602 | I580-E582 PolarHBondContact O-N 3.4Å; I580-E582 VanDerWaalsContact O-N 3.15Å; E582-K602 HydrophobicContact CB-CG 4.35Å; E582-K602 WeakPolarHBondContact OE2-CE 3.45Å; E582-K602 IonicContact OE2-NZ 2.76Å; E582-K602 PolarHBondContact OE2-NZ 2.9Å |
| 583 | Y | 80.2 | Confident | 81.9 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.5 | -171.8 | -66 | -85.6 | 0 | 0 | 0 | 111.8 | V579 I580 Y585 R600 R601 K602 | V579-Y583 WeakPolarHBondContact CA-O 3.47Å; I580-Y583 PolarHBondContact N-O 3.12Å; I580-Y583 PolarHBondContact O-N 2.69Å; I580-Y583 VanDerWaalsContact O-N 3.09Å; Y583-Y585 WeakPolarHBondContact O-CD2 3.48Å; Y583-R600 HydrophobicContact CD1-CG 4.12Å; Y583-R601 WeakPolarHBondContact CA-O 3.47Å; Y583-K602 HydrophobicContact CD1-CB 4.08Å; Y583-K602 HydrophobicContact CE1-CB 3.92Å |
| 584 | L | 85.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.3 | 168 | -171.2 | 77.1 | 0 | 0 | 0 | 109.3 | T516 L518 F567 I577 H578 V579 Y586 R600 R601 I603 | T516-L584 HydrophobicContact CG2-CD1 4.38Å; L518-L584 HydrophobicContact CD1-CD1 4.23Å; L518-L584 HydrophobicContact CD2-CD1 4.05Å; L518-L584 HydrophobicContact CD2-CD2 3.93Å; F567-L584 HydrophobicContact CE1-CD2 3.61Å; F567-L584 HydrophobicContact CE2-CD2 4.17Å; F567-L584 HydrophobicContact CZ-CD2 3.29Å; I577-L584 HydrophobicContact CG2-CD1 3.43Å; I577-L584 VanDerWaalsContact CG2-CD1 3.43Å; I577-L584 HydrophobicContact CG2-CD2 4.12Å; I577-L584 HydrophobicContact CG2-CG 3.72Å; H578-L584 CarbonylContact O-C 3.57Å; H578-L584 WeakPolarHBondContact O-CA 3.29Å; V579-L584 HydrophobicContact CG2-CD1 3.62Å; L584-Y586 HydrophobicContact CD2-CD1 4.48Å; L584-R600 CarbonylContact O-C 3.58Å; L584-R600 WeakPolarHBondContact O-CA 3.45Å; L584-R601 WeakPolarHBondContact CB-O 3.41Å; L584-R601 PolarHBondContact N-O 3.12Å; L584-R601 PolarHBondContact O-N 2.85Å; L584-I603 HydrophobicContact CB-CG1 4.23Å; L584-I603 HydrophobicContact CD2-CD1 4.14Å; L584-I603 HydrophobicContact CD2-CG1 4.4Å |
| 585 | Y | 86.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.9 | 177.3 | -68.4 | -103.9 | 0 | 0 | 0 | 109.4 | I577 H578 I580 Y583 R599 R600 | I577-Y585 WeakPolarHBondContact CA-O 3.38Å; I577-Y585 WeakPolarHBondContact CG2-O 3.19Å; H578-Y585 PolarHBondContact N-O 3.35Å; H578-Y585 VanDerWaalsContact NE2-CB 3.27Å; H578-Y585 WeakPolarHBondContact NE2-CB 3.42Å; H578-Y585 AromaticContact NE2-CG 3.64Å; H578-Y585 PolarHBondContact O-N 3.17Å; I580-Y585 HydrophobicContact CB-CD2 4.4Å; I580-Y585 HydrophobicContact CB-CE2 3.85Å; I580-Y585 HydrophobicContact CD1-CD2 4.42Å; I580-Y585 HydrophobicContact CD1-CE2 4.18Å; I580-Y585 HydrophobicContact CG1-CD2 4.35Å; I580-Y585 HydrophobicContact CG1-CE2 4.19Å; Y583-Y585 WeakPolarHBondContact O-CD2 3.48Å; Y585-R599 WeakPolarHBondContact CA-O 3.46Å; Y585-R600 HydrophobicContact CD1-CB 3.65Å; Y585-R600 HydrophobicContact CD2-CB 4.33Å; Y585-R600 HydrophobicContact CE1-CB 3.48Å; Y585-R600 VanDerWaalsContact CE1-CB 3.48Å; Y585-R600 HydrophobicContact CE1-CG 4.25Å; Y585-R600 HydrophobicContact CE2-CB 4.17Å; Y585-R600 HydrophobicContact CG-CB 4.07Å; Y585-R600 WeakPolarHBondContact OH-CD 3.39Å; Y585-R600 PolarHBondContact OH-NH1 2.79Å |
| 586 | Y | 88.2 | Confident | 80 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.2 | -178.9 | 59.9 | -87.2 | 0 | 0 | 0 | 110.9 | F567 I569 L584 Y588 F598 R599 R601 | F567-Y586 HydrophobicContact CB-CE2 4.49Å; F567-Y586 AromaticContact CD2-CD1 3.86Å; F567-Y586 HydrophobicContact CD2-CD1 3.86Å; F567-Y586 AromaticContact CD2-CD2 3.72Å; F567-Y586 HydrophobicContact CD2-CD2 3.72Å; F567-Y586 AromaticContact CD2-CE1 3.84Å; F567-Y586 HydrophobicContact CD2-CE1 3.84Å; F567-Y586 AromaticContact CD2-CE2 3.68Å; F567-Y586 HydrophobicContact CD2-CE2 3.68Å; F567-Y586 AromaticContact CD2-CG 3.8Å; F567-Y586 HydrophobicContact CD2-CG 3.8Å; F567-Y586 AromaticContact CD2-CZ 3.74Å; F567-Y586 AromaticContact CE2-CD1 3.72Å; F567-Y586 HydrophobicContact CE2-CD1 3.72Å; F567-Y586 HydrophobicContact CE2-CD2 4.02Å; F567-Y586 HydrophobicContact CE2-CE1 4.14Å; F567-Y586 HydrophobicContact CE2-CE2 4.39Å; F567-Y586 AromaticContact CE2-CG 3.66Å; F567-Y586 HydrophobicContact CE2-CG 3.66Å; F567-Y586 HydrophobicContact CG-CE1 4.26Å; F567-Y586 HydrophobicContact CG-CE2 4.4Å; F567-Y586 HydrophobicContact CZ-CD1 4.42Å; I569-Y586 HydrophobicContact CG2-CD2 3.84Å; I569-Y586 HydrophobicContact CG2-CG 4.17Å; L584-Y586 HydrophobicContact CD2-CD1 4.48Å; Y586-Y588 PolarHBondContact O-N 3.22Å; Y586-F598 CarbonylContact O-C 3.58Å; Y586-F598 VanDerWaalsContact O-CA 3.32Å; Y586-F598 WeakPolarHBondContact O-CA 3.23Å; Y586-R599 HydrophobicContact CE1-CB 4.19Å; Y586-R599 HydrophobicContact CE2-CB 3.98Å; Y586-R599 PolarHBondContact N-O 3.28Å; Y586-R599 PolarHBondContact O-N 2.85Å; Y586-R601 HydrophobicContact CE1-CB 3.93Å |
| 587 | Q | 87.8 | Confident | 79.8 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 119.8 | 173.4 | -176.4 | 170.9 | -10.4 | 0 | 0 | 109.1 | I569 A570 T573 E589 R591 N597 F598 | I569-Q587 CarbonylContact C-O 3.56Å; I569-Q587 VanDerWaalsContact CA-O 3.27Å; I569-Q587 WeakPolarHBondContact CA-O 3.12Å; I569-Q587 WeakPolarHBondContact CB-O 2.73Å; A570-Q587 HydrophobicContact CB-CB 4.43Å; A570-Q587 HydrophobicContact CB-CG 3.86Å; A570-Q587 PolarHBondContact N-O 3.03Å; T573-Q587 HydrophobicContact CG2-CB 4.35Å; T573-Q587 HydrophobicContact CG2-CG 4.46Å; Q587-E589 WeakPolarHBondContact CG-O 3.09Å; Q587-E589 PolarHBondContact NE2-O 3.09Å; Q587-R591 VanDerWaalsContact NE2-N 3.12Å; Q587-N597 WeakPolarHBondContact CA-O 3.33Å; Q587-F598 HydrophobicContact CB-CD1 4.36Å; Q587-F598 HydrophobicContact CB-CE1 4.3Å |
| 588 | Y | 87.6 | Confident | 79.6 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -21.2 | -175 | 71.7 | -82.1 | 0 | 0 | 0 | 113 | Y586 N597 R599 | Y586-Y588 PolarHBondContact O-N 3.22Å; Y588-N597 HydrophobicContact CD1-CB 4.23Å; Y588-N597 WeakPolarHBondContact CD1-O 3.24Å; Y588-N597 HydrophobicContact CE1-CB 3.67Å; Y588-N597 WeakPolarHBondContact CE1-O 3.43Å; Y588-N597 PolarHBondContact N-O 3.38Å; Y588-R599 HydrophobicContact CD1-CB 4.06Å; Y588-R599 HydrophobicContact CD1-CG 3.5Å; Y588-R599 VanDerWaalsContact CD1-CG 3.5Å; Y588-R599 HydrophobicContact CE1-CG 3.94Å; Y588-R599 HydrophobicContact CG-CB 4.5Å; Y588-R599 HydrophobicContact CG-CG 3.91Å |
| 589 | E | 84.5 | Confident | 79.5 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.1 | 178.5 | -81.6 | 171.3 | -157.5 | 0 | 0 | 110.5 | Q587 N597 | Q587-E589 WeakPolarHBondContact CG-O 3.09Å; Q587-E589 PolarHBondContact NE2-O 3.09Å; E589-N597 HydrophobicContact CB-CB 4.37Å |
| 590 | P | 82.7 | Confident | 79.8 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 150.4 | 174.2 | -25.5 | 34.6 | 0 | 0 | 0 | 112.1 | N597 | P590-N597 PolarHBondContact O-ND2 3.4Å |
| 591 | R | 77 | Confident | 80.3 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 144.4 | 177.6 | 67.4 | -179.7 | -177.4 | 154.9 | 6.7 | 110.1 | Q587 Y596 C623 L625 E626 | Q587-R591 VanDerWaalsContact NE2-N 3.12Å; R591-Y596 HydrophobicContact CB-CD1 4.22Å; R591-Y596 HydrophobicContact CB-CE1 4.28Å; R591-C623 PolarHBondContact NH1-O 3.39Å; R591-L625 PolarHBondContact NH1-O 3.26Å; R591-E626 IonicContact CZ-OE1 3.91Å; R591-E626 IonicContact NE-OE1 2.7Å; R591-E626 VanDerWaalsContact NH2-CD 3.33Å; R591-E626 IonicContact NH2-OE1 3.39Å; R591-E626 PolarHBondContact NH2-OE1 3.29Å |
| 592 | T | 74.6 | Confident | 80.8 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.1 | 173.6 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | C594 I595 | T592-C594 PolarHBondContact O-N 3.23Å; T592-I595 PolarHBondContact N-O 2.88Å; T592-I595 PolarHBondContact O-N 3.05Å |
| 593 | E | 73.1 | Confident | 80.8 | Confident | 171 Ų | 171 | 49.9 Ų | 49.9 | 80% | 0.799 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | -110.2 | -173.4 | -56.4 | 176.9 | 174 | 0 | 0 | 111.5 | ||
| 594 | C | 71.5 | Confident | 80.2 | Confident | 44 Ų | 44 | 49 Ų | 49 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 17.2 | -178.3 | -33 | 0 | 0 | 0 | 0 | 112.5 | T592 A618 C623 | T592-C594 PolarHBondContact O-N 3.23Å; C594-A618 WeakPolarHBondContact O-CB 3.42Å; C594-A618 PolarHBondContact O-N 3.5Å; C594-C623 HydrophobicContact CB-CB 3.87Å; C594-C623 WeakPolarHBondContact CB-SG 3.5Å; C594-C623 WeakPolarHBondContact SG-CB 3.31Å; C594-C623 CovalentContact SG-SG 2.02Å; C594-C623 PolarHBondContact SG-SG 2.67Å |
| 595 | I | 71.4 | Confident | 79 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.2 | -175.6 | -58 | 174.3 | 0 | 0 | 0 | 109.9 | T592 | T592-I595 PolarHBondContact N-O 2.88Å; T592-I595 PolarHBondContact O-N 3.05Å |
| 596 | Y | 77.2 | Confident | 77.3 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.1 | 172.3 | -70 | -87 | 0 | 0 | 0 | 110.1 | R591 F598 F616 A618 L625 M627 M643 | R591-Y596 HydrophobicContact CB-CD1 4.22Å; R591-Y596 HydrophobicContact CB-CE1 4.28Å; Y596-F598 VanDerWaalsContact CB-CE2 3.47Å; Y596-F598 HydrophobicContact CG-CE2 4.28Å; Y596-F598 PolarHBondContact O-N 3.41Å; Y596-F616 PolarHBondContact N-O 3.49Å; Y596-F616 PolarHBondContact O-N 2.96Å; Y596-A618 HydrophobicContact CD2-CB 4.06Å; Y596-A618 HydrophobicContact CE2-CB 3.89Å; Y596-L625 PolarHBondContact OH-O 3.09Å; Y596-M627 HydrophobicContact CD1-CE 3.75Å; Y596-M627 HydrophobicContact CE1-CB 3.89Å; Y596-M627 HydrophobicContact CE1-CE 3.89Å; Y596-M627 PolarHBondContact OH-N 3.08Å; Y596-M627 VanDerWaalsContact OH-N 3.1Å; Y596-M643 HydrophobicContact CE2-CE 4.38Å |
| 597 | N | 80.2 | Confident | 75.4 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 88.5 | -175.6 | -68 | -45 | 0 | 0 | 0 | 110.3 | Q587 Y588 E589 P590 | Q587-N597 WeakPolarHBondContact CA-O 3.33Å; Y588-N597 HydrophobicContact CD1-CB 4.23Å; Y588-N597 WeakPolarHBondContact CD1-O 3.24Å; Y588-N597 HydrophobicContact CE1-CB 3.67Å; Y588-N597 WeakPolarHBondContact CE1-O 3.43Å; Y588-N597 PolarHBondContact N-O 3.38Å; E589-N597 HydrophobicContact CB-CB 4.37Å; P590-N597 PolarHBondContact O-ND2 3.4Å |
| 598 | F | 82.7 | Confident | 73.7 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 148.9 | 177.6 | -70.6 | -90.7 | 0 | 0 | 0 | 113.2 | Y586 Q587 Y596 A614 F616 M627 Y641 | Y586-F598 CarbonylContact O-C 3.58Å; Y586-F598 VanDerWaalsContact O-CA 3.32Å; Y586-F598 WeakPolarHBondContact O-CA 3.23Å; Q587-F598 HydrophobicContact CB-CD1 4.36Å; Q587-F598 HydrophobicContact CB-CE1 4.3Å; Y596-F598 VanDerWaalsContact CB-CE2 3.47Å; Y596-F598 HydrophobicContact CG-CE2 4.28Å; Y596-F598 PolarHBondContact O-N 3.41Å; F598-A614 CarbonylContact C-O 3.56Å; F598-A614 VanDerWaalsContact CB-O 3.32Å; F598-A614 WeakPolarHBondContact CB-O 3.22Å; F598-A614 PolarHBondContact N-O 2.92Å; F598-A614 CarbonylContact O-C 3.58Å; F598-A614 PolarHBondContact O-N 3.4Å; F598-F616 HydrophobicContact CD2-CB 3.57Å; F598-F616 HydrophobicContact CD2-CG 4.44Å; F598-F616 HydrophobicContact CE2-CB 3.85Å; F598-F616 HydrophobicContact CE2-CD1 4.33Å; F598-F616 HydrophobicContact CE2-CG 4.3Å; F598-M627 HydrophobicContact CE1-CE 4.21Å; F598-M627 HydrophobicContact CE2-CE 4.24Å; F598-M627 HydrophobicContact CZ-CE 3.46Å; F598-M627 VanDerWaalsContact CZ-CE 3.46Å; F598-M627 HydrophobicContact CZ-SD 3.88Å; F598-Y641 HydrophobicContact CZ-CE1 4.47Å |
| 599 | R | 83.8 | Confident | 72.4 | Confident | 78 Ų | 78 | 72 Ų | 72 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.4 | 163.1 | -88.3 | 175 | -174.1 | 174.5 | 10.7 | 108.8 | Y585 Y586 Y588 I611 N613 | Y585-R599 WeakPolarHBondContact CA-O 3.46Å; Y586-R599 HydrophobicContact CE1-CB 4.19Å; Y586-R599 HydrophobicContact CE2-CB 3.98Å; Y586-R599 PolarHBondContact N-O 3.28Å; Y586-R599 PolarHBondContact O-N 2.85Å; Y588-R599 HydrophobicContact CD1-CB 4.06Å; Y588-R599 HydrophobicContact CD1-CG 3.5Å; Y588-R599 VanDerWaalsContact CD1-CG 3.5Å; Y588-R599 HydrophobicContact CE1-CG 3.94Å; Y588-R599 HydrophobicContact CG-CB 4.5Å; Y588-R599 HydrophobicContact CG-CG 3.91Å; R599-I611 HydrophobicContact CG-CG2 4.41Å; R599-N613 WeakPolarHBondContact CG-OD1 3.45Å; R599-N613 PolarHBondContact NE-OD1 3.06Å |
| 600 | R | 83.6 | Confident | 71.3 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.7 | 166.1 | 77.6 | -179.4 | -179.7 | -169.2 | -3 | 110.8 | Y583 L584 Y585 I611 K612 | Y583-R600 HydrophobicContact CD1-CG 4.12Å; L584-R600 CarbonylContact O-C 3.58Å; L584-R600 WeakPolarHBondContact O-CA 3.45Å; Y585-R600 HydrophobicContact CD1-CB 3.65Å; Y585-R600 HydrophobicContact CD2-CB 4.33Å; Y585-R600 HydrophobicContact CE1-CB 3.48Å; Y585-R600 VanDerWaalsContact CE1-CB 3.48Å; Y585-R600 HydrophobicContact CE1-CG 4.25Å; Y585-R600 HydrophobicContact CE2-CB 4.17Å; Y585-R600 HydrophobicContact CG-CB 4.07Å; Y585-R600 WeakPolarHBondContact OH-CD 3.39Å; Y585-R600 PolarHBondContact OH-NH1 2.79Å; R600-I611 WeakPolarHBondContact O-CA 3.24Å; R600-K612 HydrophobicContact CG-CB 4.18Å; R600-K612 PolarHBondContact N-O 3.16Å; R600-K612 PolarHBondContact O-N 3.05Å; R600-K612 VanDerWaalsContact O-N 3.13Å |
| 601 | R | 81.9 | Confident | 70.4 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 6% | 0.064 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136.8 | 176.4 | 172.5 | -179.6 | -95.1 | -174.7 | -1.1 | 109.9 | T566 Y583 L584 Y586 I603 I611 | T566-R601 VanDerWaalsContact C-NH1 3.33Å; T566-R601 PolarHBondContact O-NH1 3.03Å; T566-R601 PolarHBondContact O-NH2 3.34Å; Y583-R601 WeakPolarHBondContact CA-O 3.47Å; L584-R601 WeakPolarHBondContact CB-O 3.41Å; L584-R601 PolarHBondContact N-O 3.12Å; L584-R601 PolarHBondContact O-N 2.85Å; Y586-R601 HydrophobicContact CE1-CB 3.93Å; R601-I603 HydrophobicContact CG-CD1 4.22Å; R601-I611 HydrophobicContact CG-CG1 4.5Å |
| 602 | K | 82.1 | Confident | 70 | Confident | 56 Ų | 56 | 72.2 Ų | 72.2 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.6 | 166.7 | -162 | -178.8 | -178.7 | 162.2 | 0 | 109.9 | E582 Y583 T604 E610 | E582-K602 HydrophobicContact CB-CG 4.35Å; E582-K602 WeakPolarHBondContact OE2-CE 3.45Å; E582-K602 IonicContact OE2-NZ 2.76Å; E582-K602 PolarHBondContact OE2-NZ 2.9Å; Y583-K602 HydrophobicContact CD1-CB 4.08Å; Y583-K602 HydrophobicContact CE1-CB 3.92Å; K602-T604 HydrophobicContact CD-CG2 3.81Å; K602-T604 HydrophobicContact CG-CG2 3.87Å; K602-E610 PolarHBondContact N-O 2.88Å |
| 603 | I | 74.5 | Confident | 69.3 | Low | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | trans | -88.1 | 113.9 | 172.9 | -55.5 | -57.2 | 0 | 0 | 0 | 108.1 | A528 R530 L584 R601 | A528-I603 HydrophobicContact CB-CD1 3.83Å; A528-I603 HydrophobicContact CB-CG1 4.25Å; R530-I603 HydrophobicContact CB-CB 4.39Å; R530-I603 HydrophobicContact CB-CG2 3.91Å; L584-I603 HydrophobicContact CB-CG1 4.23Å; L584-I603 HydrophobicContact CD2-CD1 4.14Å; L584-I603 HydrophobicContact CD2-CG1 4.4Å; R601-I603 HydrophobicContact CG-CD1 4.22Å | ||
| 604 | T | 68.5 | Low | 68.8 | Low | 31 Ų | 31 | 66.5 Ų | 66.5 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | trans | -132.2 | 151.7 | -178.8 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | N565 K602 A606 | N565-T604 PolarHBondContact ND2-O 3.11Å; N565-T604 PolarHBondContact OD1-O 3.25Å; K602-T604 HydrophobicContact CD-CG2 3.81Å; K602-T604 HydrophobicContact CG-CG2 3.87Å; T604-A606 PolarHBondContact O-N 2.89Å; T604-A606 PolarHBondContact OG1-O 3.48Å | ||
| 605 | K | 59 | Low | 68.2 | Low | 183 Ų | 183 | 69.1 Ų | 69.1 | 80% | 0.796 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -70.9 | -17 | 165.5 | -67.5 | -169.4 | 175.1 | -170.9 | 0 | 112.7 | ||
| 606 | A | 50.6 | Low | 67.6 | Low | 60 Ų | 60 | 67.7 Ų | 67.7 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -93.9 | 146.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T604 N608 | T604-A606 PolarHBondContact O-N 2.89Å; T604-A606 PolarHBondContact OG1-O 3.48Å; A606-N608 PolarHBondContact O-N 3.27Å |
| 607 | L | 49.3 | Very low | 66.5 | Low | 129 Ų | 129 | 71.6 Ų | 71.6 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -55.6 | -12.1 | 179.9 | -87.2 | 149.2 | 0 | 0 | 0 | 115.6 | N564 K609 | N564-L607 WeakPolarHBondContact ND2-CD2 3.33Å; L607-K609 PolarHBondContact O-N 2.88Å |
| 608 | N | 51.5 | Low | 65.2 | Low | 137 Ų | 137 | 71.9 Ų | 71.9 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | trans | -77.5 | 87.7 | -175.5 | -71.5 | -11.7 | 0 | 0 | 0 | 111.9 | A606 | A606-N608 PolarHBondContact O-N 3.27Š| ||
| 609 | K | 60 | Low | 63.7 | Low | 75 Ų | 75 | 75.3 Ų | 75.3 | 33% | 0.326 | 39% | 0.392 | S | S | . | . | trans | -88.7 | 111.2 | 175.9 | -58.3 | 178.2 | -156.6 | 175.5 | 0 | 110.3 | N564 L607 I611 | N564-K609 WeakPolarHBondContact O-CE 3.43Å; N564-K609 PolarHBondContact O-NZ 2.85Å; L607-K609 PolarHBondContact O-N 2.88Å; K609-I611 HydrophobicContact CB-CG1 4.41Å; K609-I611 PolarHBondContact O-N 3.45Å | ||
| 610 | E | 61.3 | Low | 61.7 | Low | 91 Ų | 91 | 75.1 Ų | 75.1 | 43% | 0.425 | 41% | 0.407 | S | S | . | . | trans | -83.2 | 109 | 159.2 | -75.8 | -166.9 | -153.9 | 0 | 0 | 109 | K602 K612 | K602-E610 PolarHBondContact N-O 2.88Å; E610-K612 WeakPolarHBondContact OE2-CE 3.09Å; E610-K612 IonicContact OE2-NZ 3.16Å; E610-K612 PolarHBondContact OE2-NZ 2.87Å | ||
| 611 | I | 64.5 | Low | 60.2 | Low | 73 Ų | 73 | 76.8 Ų | 76.8 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 169.4 | -60.4 | 169.6 | 0 | 0 | 0 | 107.1 | R599 R600 R601 K609 | R599-I611 HydrophobicContact CG-CG2 4.41Å; R600-I611 WeakPolarHBondContact O-CA 3.24Å; R601-I611 HydrophobicContact CG-CG1 4.5Å; K609-I611 HydrophobicContact CB-CG1 4.41Å; K609-I611 PolarHBondContact O-N 3.45Å |
| 612 | K | 69.3 | Low | 59 | Low | 94 Ų | 94 | 78.6 Ų | 78.6 | 41% | 0.409 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.3 | 175.8 | -65 | 178.7 | -177.9 | 158.8 | 0 | 109.2 | R600 E610 | R600-K612 HydrophobicContact CG-CB 4.18Å; R600-K612 PolarHBondContact N-O 3.16Å; R600-K612 PolarHBondContact O-N 3.05Å; R600-K612 VanDerWaalsContact O-N 3.13Å; E610-K612 WeakPolarHBondContact OE2-CE 3.09Å; E610-K612 IonicContact OE2-NZ 3.16Å; E610-K612 PolarHBondContact OE2-NZ 2.87Å |
| 613 | N | 59.8 | Low | 58.2 | Low | 101 Ų | 101 | 78.6 Ų | 78.6 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 138.7 | 172.4 | -67.3 | -19.4 | 0 | 0 | 0 | 109.1 | R599 | R599-N613 WeakPolarHBondContact CG-OD1 3.45Å; R599-N613 PolarHBondContact NE-OD1 3.06Å |
| 614 | A | 61.4 | Low | 58.1 | Low | 30 Ų | 30 | 81.4 Ų | 81.4 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 95.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | F598 F616 | F598-A614 CarbonylContact C-O 3.56Å; F598-A614 VanDerWaalsContact CB-O 3.32Å; F598-A614 WeakPolarHBondContact CB-O 3.22Å; F598-A614 PolarHBondContact N-O 2.92Å; F598-A614 CarbonylContact O-C 3.58Å; F598-A614 PolarHBondContact O-N 3.4Å; A614-F616 PolarHBondContact O-N 3.46Å |
| 615 | P | 59.3 | Low | 58.3 | Low | 99 Ų | 99 | 80.8 Ų | 80.8 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136 | 174.4 | 27.5 | -32.4 | 0 | 0 | 0 | 109.5 | ||
| 616 | F | 59.8 | Low | 59.1 | Low | 43 Ų | 43 | 77.4 Ų | 77.4 | 19% | 0.189 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 102.3 | 172.1 | -171.3 | -99 | 0 | 0 | 0 | 108 | Y596 F598 A614 A618 Y641 P654 | Y596-F616 PolarHBondContact N-O 3.49Å; Y596-F616 PolarHBondContact O-N 2.96Å; F598-F616 HydrophobicContact CD2-CB 3.57Å; F598-F616 HydrophobicContact CD2-CG 4.44Å; F598-F616 HydrophobicContact CE2-CB 3.85Å; F598-F616 HydrophobicContact CE2-CD1 4.33Å; F598-F616 HydrophobicContact CE2-CG 4.3Å; A614-F616 PolarHBondContact O-N 3.46Å; F616-A618 PolarHBondContact O-N 3.48Å; F616-Y641 HydrophobicContact CE1-CE2 4.26Å; F616-Y641 AromaticContact CZ-CE2 3.93Å; F616-Y641 HydrophobicContact CZ-CE2 3.93Å; F616-P654 HydrophobicContact CE2-CB 4.21Å; F616-P654 HydrophobicContact CE2-CG 4.07Å; F616-P654 HydrophobicContact CZ-CB 4.34Å; F616-P654 HydrophobicContact CZ-CG 4.16Å |
| 617 | P | 54.4 | Low | 60.3 | Low | 91 Ų | 91 | 75.4 Ų | 75.4 | 59% | 0.591 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 130 | 172.1 | 26.7 | -30.2 | 0 | 0 | 0 | 108.5 | L619 | P617-L619 PolarHBondContact O-N 2.62Å |
| 618 | A | 51.5 | Low | 61.6 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | trans | -58.9 | 135.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | C594 Y596 F616 A620 | C594-A618 WeakPolarHBondContact O-CB 3.42Å; C594-A618 PolarHBondContact O-N 3.5Å; Y596-A618 HydrophobicContact CD2-CB 4.06Å; Y596-A618 HydrophobicContact CE2-CB 3.89Å; F616-A618 PolarHBondContact O-N 3.48Å; A618-A620 PolarHBondContact O-N 3.07Å; A618-A620 VanDerWaalsContact O-N 3.09Å | ||
| 619 | L | 50.8 | Low | 62.7 | Low | 78 Ų | 78 | 64.8 Ų | 64.8 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -68.9 | 104.8 | 176.7 | -76.1 | 162.9 | 0 | 0 | 0 | 109.7 | P617 V652 T653 | P617-L619 PolarHBondContact O-N 2.62Å; L619-V652 HydrophobicContact CB-CG1 4.44Å; L619-V652 HydrophobicContact CD1-CG1 3.66Å; L619-T653 WeakPolarHBondContact CD1-O 3.49Å |
| 620 | A | 43.6 | Very low | 63.4 | Low | 73 Ų | 73 | 61.2 Ų | 61.2 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 59 | 150.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A618 | A618-A620 PolarHBondContact O-N 3.07Å; A618-A620 VanDerWaalsContact O-N 3.09Å |
| 621 | P | 50.6 | Low | 63.8 | Low | 112 Ų | 112 | 57.2 Ų | 57.2 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -61.3 | 147.5 | 171.8 | 25 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 622 | P | 56.7 | Low | 63.8 | Low | 55 Ų | 55 | 57 Ų | 57 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | cis | -96.8 | 139.1 | 21.2 | 37.1 | -36 | 0 | 0 | 0 | 114.6 | D624 L625 | P622-D624 WeakPolarHBondContact CB-OD1 3.07Å; P622-D624 WeakPolarHBondContact CG-OD1 3.5Å; P622-D624 PolarHBondContact O-N 3.14Å; P622-D624 VanDerWaalsContact O-N 3.15Å; P622-L625 HydrophobicContact CG-CD1 4.26Å | ||
| 623 | C | 66.7 | Low | 63.1 | Low | 56 Ų | 56 | 52.9 Ų | 52.9 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 2.2 | -177.8 | -57.3 | 0 | 0 | 0 | 0 | 114.6 | R591 C594 L625 | R591-C623 PolarHBondContact NH1-O 3.39Å; C594-C623 HydrophobicContact CB-CB 3.87Å; C594-C623 WeakPolarHBondContact CB-SG 3.5Å; C594-C623 WeakPolarHBondContact SG-CB 3.31Å; C594-C623 CovalentContact SG-SG 2.02Å; C594-C623 PolarHBondContact SG-SG 2.67Å; C623-L625 VanDerWaalsContact C-N 3.28Å |
| 624 | D | 71.1 | Confident | 62.8 | Low | 68 Ų | 68 | 52 Ų | 52 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.5 | 178.5 | 60.4 | -6.6 | 0 | 0 | 0 | 113.3 | P622 R645 | P622-D624 WeakPolarHBondContact CB-OD1 3.07Å; P622-D624 WeakPolarHBondContact CG-OD1 3.5Å; P622-D624 PolarHBondContact O-N 3.14Å; P622-D624 VanDerWaalsContact O-N 3.15Å; D624-R645 VanDerWaalsContact CG-NE 3.33Å; D624-R645 IonicContact OD1-CZ 3.97Å; D624-R645 IonicContact OD1-NE 3.51Å; D624-R645 IonicContact OD2-CZ 3.05Å; D624-R645 IonicContact OD2-NE 2.65Å; D624-R645 PolarHBondContact OD2-NE 2.88Å; D624-R645 IonicContact OD2-NH2 2.79Å; D624-R645 PolarHBondContact OD2-NH2 3.44Å |
| 625 | L | 73.4 | Confident | 62.1 | Low | 19 Ų | 19 | 51.9 Ų | 51.9 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -77.6 | 123 | 173.2 | -78.1 | 162.9 | 0 | 0 | 0 | 112.1 | R591 Y596 P622 C623 M643 R645 E650 | R591-L625 PolarHBondContact NH1-O 3.26Å; Y596-L625 PolarHBondContact OH-O 3.09Å; P622-L625 HydrophobicContact CG-CD1 4.26Å; C623-L625 VanDerWaalsContact C-N 3.28Å; L625-M643 HydrophobicContact CB-CB 4.19Å; L625-M643 HydrophobicContact CD2-CB 4.05Å; L625-R645 HydrophobicContact CD2-CB 3.59Å; L625-R645 HydrophobicContact CG-CB 4.22Å; L625-E650 WeakPolarHBondContact CD1-OE2 3.44Å; L625-E650 HydrophobicContact CD2-CG 4.31Å | ||
| 626 | E | 75.1 | Confident | 61.7 | Low | 111 Ų | 111 | 49.5 Ų | 49.5 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.5 | 177.5 | -77.2 | -174.2 | 175.7 | 0 | 0 | 111.9 | R591 S628 M643 R644 | R591-E626 IonicContact CZ-OE1 3.91Å; R591-E626 IonicContact NE-OE1 2.7Å; R591-E626 VanDerWaalsContact NH2-CD 3.33Å; R591-E626 IonicContact NH2-OE1 3.39Å; R591-E626 PolarHBondContact NH2-OE1 3.29Å; E626-S628 PolarHBondContact O-N 2.74Å; E626-S628 VanDerWaalsContact O-N 3.14Å; E626-M643 CarbonylContact O-C 3.54Å; E626-M643 WeakPolarHBondContact O-CA 3.24Å; E626-R644 PolarHBondContact N-O 2.88Å; E626-R644 PolarHBondContact O-N 2.94Å |
| 627 | M | 77.4 | Confident | 61.2 | Low | 18 Ų | 18 | 52.7 Ų | 52.7 | 9% | 0.089 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 112.5 | 173.2 | -178.5 | -177.1 | 46.1 | 0 | 0 | 110.4 | T576 Y596 F598 Y641 V642 M643 | T576-M627 HydrophobicContact CG2-CB 4.49Å; T576-M627 HydrophobicContact CG2-CE 3.8Å; T576-M627 HydrophobicContact CG2-CG 3.72Å; T576-M627 HydrophobicContact CG2-SD 3.98Å; Y596-M627 HydrophobicContact CD1-CE 3.75Å; Y596-M627 HydrophobicContact CE1-CB 3.89Å; Y596-M627 HydrophobicContact CE1-CE 3.89Å; Y596-M627 PolarHBondContact OH-N 3.08Å; Y596-M627 VanDerWaalsContact OH-N 3.1Å; F598-M627 HydrophobicContact CE1-CE 4.21Å; F598-M627 HydrophobicContact CE2-CE 4.24Å; F598-M627 HydrophobicContact CZ-CE 3.46Å; F598-M627 VanDerWaalsContact CZ-CE 3.46Å; F598-M627 HydrophobicContact CZ-SD 3.88Å; M627-Y641 HydrophobicContact CG-CD1 4.22Å; M627-Y641 HydrophobicContact SD-CD1 3.42Å; M627-Y641 WeakPolarHBondContact SD-CD1 2.95Å; M627-Y641 HydrophobicContact SD-CE1 3.85Å; M627-Y641 HydrophobicContact SD-CG 4.36Å; M627-V642 CarbonylContact C-O 3.53Å; M627-V642 WeakPolarHBondContact CA-O 3.28Å; M627-M643 HydrophobicContact CB-CE 4.3Å; M627-M643 HydrophobicContact CB-SD 3.8Å |
| 628 | S | 74.8 | Confident | 61.5 | Low | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -34.2 | 178.1 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | E626 V642 R644 | E626-S628 PolarHBondContact O-N 2.74Å; E626-S628 VanDerWaalsContact O-N 3.14Å; S628-V642 PolarHBondContact N-O 2.95Å; S628-V642 WeakPolarHBondContact OG-CG1 3.41Å; S628-V642 PolarHBondContact OG-O 3.25Å; S628-R644 PolarHBondContact OG-NE 3.22Å |
| 629 | S | 75.6 | Confident | 62.2 | Low | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 160.3 | 177.3 | 58 | 0 | 0 | 0 | 0 | 111.7 | D575 V642 | D575-S629 CarbonylContact O-C 3.53Å; D575-S629 VanDerWaalsContact O-CA 3.24Å; D575-S629 WeakPolarHBondContact O-CA 2.82Å; D575-S629 WeakPolarHBondContact O-CB 2.9Å; S629-V642 PolarHBondContact N-O 3.47Å; S629-V642 PolarHBondContact O-N 3.42Å; S629-V642 WeakPolarHBondContact OG-CB 3.32Å; S629-V642 WeakPolarHBondContact OG-CG2 3.22Å |
| 630 | A | 75.5 | Confident | 63.1 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R507 D575 T576 H578 V639 V640 Y641 | R507-A630 PolarHBondContact NH2-O 3.07Å; D575-A630 PolarHBondContact O-N 2.83Å; T576-A630 WeakPolarHBondContact O-CB 3.17Å; H578-A630 HydrophobicContact CB-CB 4.41Å; A630-V639 HydrophobicContact CB-CG1 4.04Å; A630-V640 CarbonylContact C-O 3.54Å; A630-V640 WeakPolarHBondContact CA-O 3.32Å; A630-Y641 HydrophobicContact CB-CD1 3.62Å; A630-Y641 HydrophobicContact CB-CE1 3.82Å |
| 631 | M | 69.6 | Low | 64.6 | Low | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.5 | 178.2 | 67.2 | -164 | 88.7 | 0 | 0 | 111.2 | V639 V640 V642 I675 S677 T678 | M631-V639 CarbonylContact O-C 3.55Å; M631-V639 WeakPolarHBondContact O-CA 3.3Å; M631-V639 WeakPolarHBondContact O-CG1 3.44Å; M631-V640 HydrophobicContact CG-CB 3.9Å; M631-V640 PolarHBondContact N-O 3.04Å; M631-V640 PolarHBondContact O-N 3.27Å; M631-V642 HydrophobicContact CE-CG2 3.64Å; M631-I675 HydrophobicContact CE-CG2 3.65Å; M631-I675 HydrophobicContact SD-CG2 4.29Å; M631-S677 VanDerWaalsContact SD-C 3.56Å; M631-T678 HydrophobicContact CE-CG2 4.01Å; M631-T678 VanDerWaalsContact SD-CB 3.6Å; M631-T678 HydrophobicContact SD-CG2 3.34Å; M631-T678 WeakPolarHBondContact SD-CG2 3.32Å; M631-T678 PolarHBondContact SD-N 3.07Å; M631-T678 PolarHBondContact SD-OG1 3.29Å |
| 632 | Y | 62.9 | Low | 65.8 | Low | 70 Ų | 70 | 36.2 Ų | 36.2 | 28% | 0.275 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.1 | 175.4 | -176 | -96.2 | 0 | 0 | 0 | 108.8 | L511 I580 E634 V639 | L511-Y632 HydrophobicContact CD1-CD1 3.87Å; L511-Y632 HydrophobicContact CD1-CE1 3.25Å; I580-Y632 HydrophobicContact CG1-CD2 4.5Å; Y632-E634 HydrophobicContact CD1-CG 4.26Å; Y632-E634 HydrophobicContact CE1-CG 3.55Å; Y632-V639 HydrophobicContact CD2-CG2 4.47Å |
| 633 | D | 56.1 | Low | 66.7 | Low | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.3 | 179.6 | -170.4 | -25 | 0 | 0 | 0 | 108.4 | S635 V636 G638 V640 S679 | D633-S635 VanDerWaalsContact C-N 3.27Å; D633-S635 VanDerWaalsContact CG-OG 3.26Å; D633-S635 PolarHBondContact O-N 3.48Å; D633-S635 WeakPolarHBondContact OD1-CA 3.25Å; D633-S635 VanDerWaalsContact OD1-CB 3.3Å; D633-S635 WeakPolarHBondContact OD1-CB 3.41Å; D633-S635 PolarHBondContact OD1-N 3.09Å; D633-S635 PolarHBondContact OD1-OG 2.64Å; D633-S635 PolarHBondContact OD2-OG 2.91Å; D633-V636 HydrophobicContact CB-CB 4.34Å; D633-V636 CarbonylContact O-C 3.51Å; D633-V636 PolarHBondContact OD1-N 2.83Å; D633-G638 PolarHBondContact N-O 3.16Å; D633-V640 HydrophobicContact CB-CG2 4.04Å; D633-S679 WeakPolarHBondContact OD2-CA 3.44Å |
| 634 | E | 52.2 | Low | 66.9 | Low | 82 Ų | 82 | 35.1 Ų | 35.1 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -23.7 | 177.8 | -76.7 | -172.6 | -179.1 | 0 | 0 | 112.7 | Y632 G718 | Y632-E634 HydrophobicContact CD1-CG 4.26Å; Y632-E634 HydrophobicContact CE1-CG 3.55Å; E634-G718 WeakPolarHBondContact OE2-CA 3.5Å |
| 635 | S | 46.9 | Very low | 67 | Low | 28 Ų | 28 | 36.5 Ų | 36.5 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -30.9 | -180 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | R463 D633 L680 | R463-S635 PolarHBondContact NH2-O 2.77Å; D633-S635 VanDerWaalsContact C-N 3.27Å; D633-S635 VanDerWaalsContact CG-OG 3.26Å; D633-S635 PolarHBondContact O-N 3.48Å; D633-S635 WeakPolarHBondContact OD1-CA 3.25Å; D633-S635 VanDerWaalsContact OD1-CB 3.3Å; D633-S635 WeakPolarHBondContact OD1-CB 3.41Å; D633-S635 PolarHBondContact OD1-N 3.09Å; D633-S635 PolarHBondContact OD1-OG 2.64Å; D633-S635 PolarHBondContact OD2-OG 2.91Å; S635-L680 WeakPolarHBondContact OG-CB 3.48Å; S635-L680 PolarHBondContact OG-N 3.21Å |
| 636 | V | 50.3 | Low | 66.9 | Low | 48 Ų | 48 | 45.3 Ų | 45.3 | 29% | 0.291 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 98.5 | 175 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | D633 G638 T653 | D633-V636 HydrophobicContact CB-CB 4.34Å; D633-V636 CarbonylContact O-C 3.51Å; D633-V636 PolarHBondContact OD1-N 2.83Å; V636-G638 VanDerWaalsContact C-N 3.3Å; V636-G638 PolarHBondContact O-N 3.42Å; V636-T653 HydrophobicContact CG1-CG2 4.02Å |
| 637 | P | 49.1 | Very low | 66.3 | Low | 110 Ų | 110 | 44.8 Ų | 44.8 | 71% | 0.714 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 83 | -165.6 | 24.4 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 638 | G | 61.5 | Low | 65.6 | Low | 20 Ų | 20 | 47.4 Ų | 47.4 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -175.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | D633 V636 | D633-G638 PolarHBondContact N-O 3.16Å; V636-G638 VanDerWaalsContact C-N 3.3Å; V636-G638 PolarHBondContact O-N 3.42Å |
| 639 | V | 67.3 | Low | 65.2 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.8 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | H578 I580 A630 M631 Y632 Y641 P654 | H578-V639 HydrophobicContact CB-CG1 4.15Å; H578-V639 HydrophobicContact CB-CG2 4.44Å; H578-V639 WeakPolarHBondContact CD2-CG2 3.49Å; I580-V639 HydrophobicContact CD1-CG2 3.72Å; I580-V639 HydrophobicContact CG1-CG2 3.96Å; A630-V639 HydrophobicContact CB-CG1 4.04Å; M631-V639 CarbonylContact O-C 3.55Å; M631-V639 WeakPolarHBondContact O-CA 3.3Å; M631-V639 WeakPolarHBondContact O-CG1 3.44Å; Y632-V639 HydrophobicContact CD2-CG2 4.47Å; V639-Y641 HydrophobicContact CB-CE1 4.44Å; V639-Y641 HydrophobicContact CB-CE2 4.08Å; V639-Y641 HydrophobicContact CG1-CD1 4.08Å; V639-Y641 HydrophobicContact CG1-CD2 4.46Å; V639-Y641 HydrophobicContact CG1-CE1 3.56Å; V639-Y641 HydrophobicContact CG1-CE2 3.99Å; V639-P654 VanDerWaalsContact O-CD 3.26Å; V639-P654 WeakPolarHBondContact O-CD 3.18Å |
| 640 | V | 69.7 | Low | 64.8 | Low | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.5 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | A630 M631 D633 L651 T653 | A630-V640 CarbonylContact C-O 3.54Å; A630-V640 WeakPolarHBondContact CA-O 3.32Å; M631-V640 HydrophobicContact CG-CB 3.9Å; M631-V640 PolarHBondContact N-O 3.04Å; M631-V640 PolarHBondContact O-N 3.27Å; D633-V640 HydrophobicContact CB-CG2 4.04Å; V640-L651 HydrophobicContact CG1-CB 4.4Å; V640-L651 HydrophobicContact CG1-CD2 4.09Å; V640-T653 HydrophobicContact CB-CG2 4.41Å; V640-T653 HydrophobicContact CG2-CG2 3.87Å |
| 641 | Y | 74.4 | Confident | 64.3 | Low | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.1 | 178.5 | -58.5 | -77.6 | 0 | 0 | 0 | 110.3 | H578 F598 F616 M627 A630 V639 L651 V652 P654 | H578-Y641 AromaticContact CE1-CE1 3.99Å; H578-Y641 PolarHBondContact CE1-OH 3.06Å; F598-Y641 HydrophobicContact CZ-CE1 4.47Å; F616-Y641 HydrophobicContact CE1-CE2 4.26Å; F616-Y641 AromaticContact CZ-CE2 3.93Å; F616-Y641 HydrophobicContact CZ-CE2 3.93Å; M627-Y641 HydrophobicContact CG-CD1 4.22Å; M627-Y641 HydrophobicContact SD-CD1 3.42Å; M627-Y641 WeakPolarHBondContact SD-CD1 2.95Å; M627-Y641 HydrophobicContact SD-CE1 3.85Å; M627-Y641 HydrophobicContact SD-CG 4.36Å; A630-Y641 HydrophobicContact CB-CD1 3.62Å; A630-Y641 HydrophobicContact CB-CE1 3.82Å; V639-Y641 HydrophobicContact CB-CE1 4.44Å; V639-Y641 HydrophobicContact CB-CE2 4.08Å; V639-Y641 HydrophobicContact CG1-CD1 4.08Å; V639-Y641 HydrophobicContact CG1-CD2 4.46Å; V639-Y641 HydrophobicContact CG1-CE1 3.56Å; V639-Y641 HydrophobicContact CG1-CE2 3.99Å; Y641-L651 WeakPolarHBondContact O-CA 3.32Å; Y641-V652 WeakPolarHBondContact CB-O 3.25Å; Y641-V652 WeakPolarHBondContact CD2-O 3.34Å; Y641-V652 PolarHBondContact N-O 2.93Å; Y641-V652 PolarHBondContact O-N 3.37Å; Y641-P654 HydrophobicContact CE2-CG 4.1Å |
| 642 | V | 74.5 | Confident | 64 | Low | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.7 | 169.6 | -167.6 | 0 | 0 | 0 | 0 | 107.9 | M627 S628 S629 M631 V649 L651 | M627-V642 CarbonylContact C-O 3.53Å; M627-V642 WeakPolarHBondContact CA-O 3.28Å; S628-V642 PolarHBondContact N-O 2.95Å; S628-V642 WeakPolarHBondContact OG-CG1 3.41Å; S628-V642 PolarHBondContact OG-O 3.25Å; S629-V642 PolarHBondContact N-O 3.47Å; S629-V642 PolarHBondContact O-N 3.42Å; S629-V642 WeakPolarHBondContact OG-CB 3.32Å; S629-V642 WeakPolarHBondContact OG-CG2 3.22Å; M631-V642 HydrophobicContact CE-CG2 3.64Å; V642-V649 HydrophobicContact CG1-CG1 3.43Å; V642-V649 VanDerWaalsContact CG1-CG1 3.43Å; V642-L651 HydrophobicContact CB-CD2 4.05Å; V642-L651 HydrophobicContact CG1-CD2 4.16Å; V642-L651 HydrophobicContact CG2-CD2 3.55Å |
| 643 | M | 76.3 | Confident | 63.9 | Low | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.1 | 178.8 | -63.4 | -79.7 | -174.9 | 0 | 0 | 108.9 | Y596 L625 E626 M627 V649 E650 V652 | Y596-M643 HydrophobicContact CE2-CE 4.38Å; L625-M643 HydrophobicContact CB-CB 4.19Å; L625-M643 HydrophobicContact CD2-CB 4.05Å; E626-M643 CarbonylContact O-C 3.54Å; E626-M643 WeakPolarHBondContact O-CA 3.24Å; M627-M643 HydrophobicContact CB-CE 4.3Å; M627-M643 HydrophobicContact CB-SD 3.8Å; M643-V649 CarbonylContact O-C 3.56Å; M643-V649 VanDerWaalsContact O-CA 3.32Å; M643-V649 WeakPolarHBondContact O-CA 3.18Å; M643-E650 HydrophobicContact CB-CB 4.43Å; M643-E650 PolarHBondContact N-O 3.32Å; M643-E650 PolarHBondContact O-N 2.83Å; M643-V652 HydrophobicContact CB-CG2 4.44Å; M643-V652 HydrophobicContact CG-CB 4.3Å; M643-V652 HydrophobicContact CG-CG2 3.8Å |
| 644 | R | 72.2 | Confident | 63.7 | Low | 78 Ų | 78 | 48.6 Ų | 48.6 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.1 | -178.6 | -61.2 | -168.8 | 176.6 | -126.6 | -7.4 | 111.5 | E626 S628 D648 V649 L671 | E626-R644 PolarHBondContact N-O 2.88Å; E626-R644 PolarHBondContact O-N 2.94Å; S628-R644 PolarHBondContact OG-NE 3.22Å; R644-D648 CarbonylContact C-O 3.55Å; R644-D648 WeakPolarHBondContact CA-O 2.94Å; R644-V649 HydrophobicContact CG-CG1 4.21Å; R644-V649 HydrophobicContact CG-CG2 3.99Å; R644-L671 PolarHBondContact NH1-O 3.46Å; R644-L671 PolarHBondContact NH2-O 3.27Å |
| 645 | R | 72.2 | Confident | 63.3 | Low | 97 Ų | 97 | 51.2 Ų | 51.2 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 102.3 | 172.9 | 178.2 | -166.5 | -173.3 | -171.5 | 14.7 | 108.4 | D624 L625 S647 D648 | D624-R645 VanDerWaalsContact CG-NE 3.33Å; D624-R645 IonicContact OD1-CZ 3.97Å; D624-R645 IonicContact OD1-NE 3.51Å; D624-R645 IonicContact OD2-CZ 3.05Å; D624-R645 IonicContact OD2-NE 2.65Å; D624-R645 PolarHBondContact OD2-NE 2.88Å; D624-R645 IonicContact OD2-NH2 2.79Å; D624-R645 PolarHBondContact OD2-NH2 3.44Å; L625-R645 HydrophobicContact CD2-CB 3.59Å; L625-R645 HydrophobicContact CG-CB 4.22Å; R645-S647 PolarHBondContact O-N 3.43Å; R645-D648 PolarHBondContact N-O 2.73Å; R645-D648 WeakPolarHBondContact O-CB 3.2Å; R645-D648 PolarHBondContact O-N 2.86Å |
| 646 | K | 71 | Confident | 63.3 | Low | 204 Ų | 204 | 54.1 Ų | 54.1 | 89% | 0.887 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | -109 | -174.9 | -57.1 | 178.3 | 179.5 | 178.9 | 0 | 111 | ||
| 647 | S | 62.6 | Low | 63.1 | Low | 99 Ų | 99 | 56.5 Ų | 56.5 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -15.2 | 176 | 50.1 | 0 | 0 | 0 | 0 | 114 | R645 | R645-S647 PolarHBondContact O-N 3.43Š|
| 648 | D | 63.7 | Low | 63.2 | Low | 73 Ų | 73 | 53.5 Ų | 53.5 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138 | -172.6 | -57.4 | -22.1 | 0 | 0 | 0 | 109.5 | R644 R645 | R644-D648 CarbonylContact C-O 3.55Å; R644-D648 WeakPolarHBondContact CA-O 2.94Å; R645-D648 PolarHBondContact N-O 2.73Å; R645-D648 WeakPolarHBondContact O-CB 3.2Å; R645-D648 PolarHBondContact O-N 2.86Å |
| 649 | V | 65.5 | Low | 62.6 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.6 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | V642 M643 R644 Q666 L671 | V642-V649 HydrophobicContact CG1-CG1 3.43Å; V642-V649 VanDerWaalsContact CG1-CG1 3.43Å; M643-V649 CarbonylContact O-C 3.56Å; M643-V649 VanDerWaalsContact O-CA 3.32Å; M643-V649 WeakPolarHBondContact O-CA 3.18Å; R644-V649 HydrophobicContact CG-CG1 4.21Å; R644-V649 HydrophobicContact CG-CG2 3.99Å; V649-Q666 PolarHBondContact O-NE2 3.24Å; V649-Q666 PolarHBondContact O-OE1 2.88Å; V649-L671 HydrophobicContact CB-CB 3.87Å; V649-L671 HydrophobicContact CB-CD1 3.59Å; V649-L671 HydrophobicContact CB-CG 4.28Å; V649-L671 HydrophobicContact CG1-CB 4.06Å; V649-L671 HydrophobicContact CG1-CD1 3.74Å; V649-L671 HydrophobicContact CG1-CD2 4.37Å; V649-L671 HydrophobicContact CG1-CG 4.27Å; V649-L671 HydrophobicContact CG2-CB 3.96Å |
| 650 | E | 67.7 | Low | 61.8 | Low | 74 Ų | 74 | 59 Ų | 59 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.3 | -179.3 | -63.7 | -172.9 | -176.9 | 0 | 0 | 110.3 | L625 M643 V652 | L625-E650 WeakPolarHBondContact CD1-OE2 3.44Å; L625-E650 HydrophobicContact CD2-CG 4.31Å; M643-E650 HydrophobicContact CB-CB 4.43Å; M643-E650 PolarHBondContact N-O 3.32Å; M643-E650 PolarHBondContact O-N 2.83Å; E650-V652 HydrophobicContact CB-CG2 4.43Å |
| 651 | L | 65 | Low | 60.9 | Low | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.6 | 176.2 | -70 | 168.7 | 0 | 0 | 0 | 109.1 | V640 Y641 V642 V658 L662 | V640-L651 HydrophobicContact CG1-CB 4.4Å; V640-L651 HydrophobicContact CG1-CD2 4.09Å; Y641-L651 WeakPolarHBondContact O-CA 3.32Å; V642-L651 HydrophobicContact CB-CD2 4.05Å; V642-L651 HydrophobicContact CG1-CD2 4.16Å; V642-L651 HydrophobicContact CG2-CD2 3.55Å; L651-V658 PolarHBondContact O-N 3.4Å; L651-L662 HydrophobicContact CB-CD1 3.69Å; L651-L662 HydrophobicContact CD1-CB 3.98Å; L651-L662 HydrophobicContact CD1-CD1 3.47Å; L651-L662 VanDerWaalsContact CD1-CD1 3.47Å; L651-L662 HydrophobicContact CD1-CD2 3.73Å; L651-L662 HydrophobicContact CD1-CG 3.89Å; L651-L662 HydrophobicContact CG-CD1 4.16Å |
| 652 | V | 62.5 | Low | 59.8 | Low | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130 | -170.3 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | L619 Y641 M643 E650 | L619-V652 HydrophobicContact CB-CG1 4.44Å; L619-V652 HydrophobicContact CD1-CG1 3.66Å; Y641-V652 WeakPolarHBondContact CB-O 3.25Å; Y641-V652 WeakPolarHBondContact CD2-O 3.34Å; Y641-V652 PolarHBondContact N-O 2.93Å; Y641-V652 PolarHBondContact O-N 3.37Å; M643-V652 HydrophobicContact CB-CG2 4.44Å; M643-V652 HydrophobicContact CG-CB 4.3Å; M643-V652 HydrophobicContact CG-CG2 3.8Å; E650-V652 HydrophobicContact CB-CG2 4.43Å |
| 653 | T | 60.7 | Low | 59 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | trans | -107.6 | 158.4 | 164.2 | 67.5 | 0 | 0 | 0 | 0 | 109 | L619 V636 V640 N655 V656 V658 | L619-T653 WeakPolarHBondContact CD1-O 3.49Å; V636-T653 HydrophobicContact CG1-CG2 4.02Å; V640-T653 HydrophobicContact CB-CG2 4.41Å; V640-T653 HydrophobicContact CG2-CG2 3.87Å; T653-N655 PolarHBondContact O-N 3.17Å; T653-V656 PolarHBondContact N-O 3.1Å; T653-V656 PolarHBondContact O-N 3.07Å; T653-V656 PolarHBondContact OG1-N 3.42Å; T653-V656 PolarHBondContact OG1-O 2.93Å; T653-V658 HydrophobicContact CG2-CG2 4.24Å | ||
| 654 | P | 52.2 | Low | 58.1 | Low | 42 Ų | 42 | 72.9 Ų | 72.9 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -51.6 | -20.5 | 176.4 | -28.1 | 34.2 | 0 | 0 | 0 | 115.2 | F616 V639 Y641 | F616-P654 HydrophobicContact CE2-CB 4.21Å; F616-P654 HydrophobicContact CE2-CG 4.07Å; F616-P654 HydrophobicContact CZ-CB 4.34Å; F616-P654 HydrophobicContact CZ-CG 4.16Å; V639-P654 VanDerWaalsContact O-CD 3.26Å; V639-P654 WeakPolarHBondContact O-CD 3.18Å; Y641-P654 HydrophobicContact CE2-CG 4.1Å |
| 655 | N | 44.4 | Very low | 57.3 | Low | 137 Ų | 137 | 69.2 Ų | 69.2 | 73% | 0.733 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -116.4 | -20.4 | -172 | -60.8 | -33.2 | 0 | 0 | 0 | 114.1 | T653 | T653-N655 PolarHBondContact O-N 3.17Š|
| 656 | V | 46.6 | Very low | 56.5 | Low | 88 Ų | 88 | 67.6 Ų | 67.6 | 53% | 0.533 | 36% | 0.359 | S | S | . | . | trans | -154 | 134.5 | -173 | -173.7 | 0 | 0 | 0 | 0 | 111 | T653 V658 | T653-V656 PolarHBondContact N-O 3.1Å; T653-V656 PolarHBondContact O-N 3.07Å; T653-V656 PolarHBondContact OG1-N 3.42Å; T653-V656 PolarHBondContact OG1-O 2.93Å; V656-V658 PolarHBondContact O-N 3.43Å | ||
| 657 | I | 47 | Very low | 55.9 | Low | 98 Ų | 98 | 62.3 Ų | 62.3 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 112.1 | 161.9 | -61.2 | 172.9 | 0 | 0 | 0 | 106.6 | S659 | I657-S659 PolarHBondContact O-N 2.97Å |
| 658 | V | 50.4 | Low | 55.9 | Low | 48 Ų | 48 | 59.9 Ų | 59.9 | 29% | 0.291 | 33% | 0.334 | S | S | . | . | trans | -81.6 | 87.4 | -174.4 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | L651 T653 V656 L662 | L651-V658 PolarHBondContact O-N 3.4Å; T653-V658 HydrophobicContact CG2-CG2 4.24Å; V656-V658 PolarHBondContact O-N 3.43Å; V658-L662 HydrophobicContact CB-CD1 3.6Å; V658-L662 HydrophobicContact CG1-CD1 3.34Å; V658-L662 HydrophobicContact CG1-CG 4.02Å | ||
| 659 | S | 49.5 | Very low | 55.8 | Low | 48 Ų | 48 | 63.6 Ų | 63.6 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | trans | -89.6 | -32 | -159 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | I657 K663 | I657-S659 PolarHBondContact O-N 2.97Å; S659-K663 WeakPolarHBondContact O-CB 3.36Å; S659-K663 WeakPolarHBondContact O-CD 3.35Å; S659-K663 WeakPolarHBondContact O-CE 3.5Å; S659-K663 WeakPolarHBondContact O-CG 3.37Å; S659-K663 PolarHBondContact O-NZ 2.86Å | ||
| 660 | D | 50.3 | Low | 55.6 | Low | 88 Ų | 88 | 64 Ų | 64 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -103.4 | -47.3 | -159.8 | -66.8 | -9.2 | 0 | 0 | 0 | 114.4 | K663 | D660-K663 IonicContact OD1-NZ 2.73Å; D660-K663 PolarHBondContact OD1-NZ 3.16Å |
| 661 | T | 49.7 | Very low | 55.2 | Low | 71 Ų | 71 | 60.8 Ų | 60.8 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70 | -35.4 | 176.5 | -26.5 | 0 | 0 | 0 | 0 | 112.4 | Q664 V696 | T661-Q664 PolarHBondContact O-N 3.25Å; T661-V696 HydrophobicContact CG2-CG1 3.55Å |
| 662 | L | 52.8 | Low | 55 | Low | 27 Ų | 27 | 65.3 Ų | 65.3 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -78.2 | -22.8 | -179.4 | -66.5 | 170.6 | 0 | 0 | 0 | 113.3 | L651 V658 Q664 I665 Q666 | L651-L662 HydrophobicContact CB-CD1 3.69Å; L651-L662 HydrophobicContact CD1-CB 3.98Å; L651-L662 HydrophobicContact CD1-CD1 3.47Å; L651-L662 VanDerWaalsContact CD1-CD1 3.47Å; L651-L662 HydrophobicContact CD1-CD2 3.73Å; L651-L662 HydrophobicContact CD1-CG 3.89Å; L651-L662 HydrophobicContact CG-CD1 4.16Å; V658-L662 HydrophobicContact CB-CD1 3.6Å; V658-L662 HydrophobicContact CG1-CD1 3.34Å; V658-L662 HydrophobicContact CG1-CG 4.02Å; L662-Q664 VanDerWaalsContact C-N 3.27Å; L662-Q664 PolarHBondContact O-N 3.13Å; L662-I665 HydrophobicContact CD2-CD1 3.72Å; L662-I665 WeakPolarHBondContact O-CB 3.37Å; L662-I665 PolarHBondContact O-N 2.54Å; L662-I665 VanDerWaalsContact O-N 3.17Å; L662-Q666 PolarHBondContact O-N 3.49Å |
| 663 | K | 56.5 | Low | 55.1 | Low | 110 Ų | 110 | 66.8 Ų | 66.8 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 168.9 | -90.3 | 173.4 | -153 | 151.4 | 0 | 111.7 | S659 D660 I665 Q666 S667 | S659-K663 WeakPolarHBondContact O-CB 3.36Å; S659-K663 WeakPolarHBondContact O-CD 3.35Å; S659-K663 WeakPolarHBondContact O-CE 3.5Å; S659-K663 WeakPolarHBondContact O-CG 3.37Å; S659-K663 PolarHBondContact O-NZ 2.86Å; D660-K663 IonicContact OD1-NZ 2.73Å; D660-K663 PolarHBondContact OD1-NZ 3.16Å; K663-I665 VanDerWaalsContact C-N 3.34Å; K663-Q666 WeakPolarHBondContact O-CB 3.47Å; K663-Q666 PolarHBondContact O-N 3.02Å; K663-S667 PolarHBondContact O-N 3.48Å |
| 664 | Q | 56.7 | Low | 55.3 | Low | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.5 | -80.8 | -173.3 | -8.9 | 0 | 0 | 111.3 | T661 L662 Q666 S667 A668 | T661-Q664 PolarHBondContact O-N 3.25Å; L662-Q664 VanDerWaalsContact C-N 3.27Å; L662-Q664 PolarHBondContact O-N 3.13Å; Q664-Q666 VanDerWaalsContact C-N 3.28Å; Q664-Q666 PolarHBondContact O-N 3.19Å; Q664-S667 WeakPolarHBondContact CA-OG 3.3Å; Q664-S667 PolarHBondContact O-N 2.95Å; Q664-S667 VanDerWaalsContact O-N 3.08Å; Q664-S667 PolarHBondContact O-OG 3.27Å; Q664-A668 PolarHBondContact O-N 3.48Å |
| 665 | I | 55.8 | Low | 56 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 174.7 | -59.8 | -171.2 | 0 | 0 | 0 | 111.3 | L662 K663 F670 L671 V683 L694 V696 | L662-I665 HydrophobicContact CD2-CD1 3.72Å; L662-I665 WeakPolarHBondContact O-CB 3.37Å; L662-I665 PolarHBondContact O-N 2.54Å; L662-I665 VanDerWaalsContact O-N 3.17Å; K663-I665 VanDerWaalsContact C-N 3.34Å; I665-F670 HydrophobicContact CB-CD2 4.44Å; I665-F670 HydrophobicContact CG2-CB 3.72Å; I665-F670 HydrophobicContact CG2-CD2 3.84Å; I665-F670 HydrophobicContact CG2-CG 4.24Å; I665-F670 WeakPolarHBondContact O-CD2 3.34Å; I665-F670 PolarHBondContact O-N 3.04Å; I665-L671 HydrophobicContact CG2-CD2 4.33Å; I665-V683 HydrophobicContact CD1-CG2 3.68Å; I665-L694 HydrophobicContact CD1-CD2 4.4Å; I665-L694 HydrophobicContact CG1-CD2 4.41Å; I665-V696 HydrophobicContact CD1-CB 4.5Å; I665-V696 HydrophobicContact CD1-CG1 4.26Å; I665-V696 HydrophobicContact CD1-CG2 4Å |
| 666 | Q | 55.6 | Low | 57 | Low | 63 Ų | 63 | 63.2 Ų | 63.2 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 171.6 | -171.5 | 172.8 | 8.7 | 0 | 0 | 112.1 | V649 L662 K663 Q664 A668 K669 L671 | V649-Q666 PolarHBondContact O-NE2 3.24Å; V649-Q666 PolarHBondContact O-OE1 2.88Å; L662-Q666 PolarHBondContact O-N 3.49Å; K663-Q666 WeakPolarHBondContact O-CB 3.47Å; K663-Q666 PolarHBondContact O-N 3.02Å; Q664-Q666 VanDerWaalsContact C-N 3.28Å; Q664-Q666 PolarHBondContact O-N 3.19Å; Q666-A668 VanDerWaalsContact C-N 3.27Å; Q666-A668 PolarHBondContact O-N 2.98Å; Q666-K669 WeakPolarHBondContact O-CA 3.44Å; Q666-K669 PolarHBondContact O-N 3.42Å; Q666-L671 HydrophobicContact CB-CD1 3.48Å; Q666-L671 VanDerWaalsContact CB-CD1 3.48Å; Q666-L671 HydrophobicContact CB-CG 4.15Å; Q666-L671 HydrophobicContact CG-CD1 3.69Å; Q666-L671 HydrophobicContact CG-CG 4.43Å |
| 667 | S | 59.7 | Low | 57.9 | Low | 92 Ų | 92 | 59.2 Ų | 59.2 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.8 | -34.2 | -179.7 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | K663 Q664 K669 | K663-S667 PolarHBondContact O-N 3.48Å; Q664-S667 WeakPolarHBondContact CA-OG 3.3Å; Q664-S667 PolarHBondContact O-N 2.95Å; Q664-S667 VanDerWaalsContact O-N 3.08Å; Q664-S667 PolarHBondContact O-OG 3.27Å; S667-K669 PolarHBondContact O-N 3.01Å |
| 668 | A | 62.3 | Low | 58.4 | Low | 48 Ų | 48 | 55.2 Ų | 55.2 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 9.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q664 Q666 F670 | Q664-A668 PolarHBondContact O-N 3.48Å; Q666-A668 VanDerWaalsContact C-N 3.27Å; Q666-A668 PolarHBondContact O-N 2.98Å; A668-F670 HydrophobicContact CB-CD2 3.51Å; A668-F670 HydrophobicContact CB-CE2 3.14Å; A668-F670 HydrophobicContact CB-CZ 3.91Å; A668-F670 PolarHBondContact O-N 3.23Å |
| 669 | K | 62.1 | Low | 58.8 | Low | 151 Ų | 151 | 53.3 Ų | 53.3 | 66% | 0.657 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 18.7 | 176.7 | -57.2 | -178.7 | 178.7 | 178.6 | 0 | 114.8 | Q666 S667 L671 T672 | Q666-K669 WeakPolarHBondContact O-CA 3.44Å; Q666-K669 PolarHBondContact O-N 3.42Å; S667-K669 PolarHBondContact O-N 3.01Å; K669-L671 PolarHBondContact O-N 3.06Å; K669-T672 PolarHBondContact O-N 3.45Å; K669-T672 PolarHBondContact O-OG1 2.89Å |
| 670 | F | 60.6 | Low | 59.1 | Low | 17 Ų | 17 | 54.8 Ų | 54.8 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.5 | -18.5 | 175.8 | -56.6 | -66.9 | 0 | 0 | 0 | 112.8 | I665 A668 T672 N673 Y685 L694 P699 | I665-F670 HydrophobicContact CB-CD2 4.44Å; I665-F670 HydrophobicContact CG2-CB 3.72Å; I665-F670 HydrophobicContact CG2-CD2 3.84Å; I665-F670 HydrophobicContact CG2-CG 4.24Å; I665-F670 WeakPolarHBondContact O-CD2 3.34Å; I665-F670 PolarHBondContact O-N 3.04Å; A668-F670 HydrophobicContact CB-CD2 3.51Å; A668-F670 HydrophobicContact CB-CE2 3.14Å; A668-F670 HydrophobicContact CB-CZ 3.91Å; A668-F670 PolarHBondContact O-N 3.23Å; F670-T672 VanDerWaalsContact C-N 3.33Å; F670-N673 VanDerWaalsContact O-CB 3.24Å; F670-N673 WeakPolarHBondContact O-CB 3.07Å; F670-N673 PolarHBondContact O-N 3.28Å; F670-Y685 HydrophobicContact CD1-CD2 4.3Å; F670-Y685 HydrophobicContact CD1-CE1 4.19Å; F670-Y685 AromaticContact CD1-CE2 3.61Å; F670-Y685 HydrophobicContact CD1-CE2 3.61Å; F670-Y685 AromaticContact CD1-CZ 3.55Å; F670-Y685 HydrophobicContact CE1-CE2 4.21Å; F670-Y685 AromaticContact CE1-CZ 3.82Å; F670-Y685 WeakPolarHBondContact CE1-OH 3.23Å; F670-L694 HydrophobicContact CD2-CD2 3.62Å; F670-L694 HydrophobicContact CE1-CD1 4.32Å; F670-L694 HydrophobicContact CE1-CD2 4.5Å; F670-L694 HydrophobicContact CE2-CD1 4.1Å; F670-L694 HydrophobicContact CE2-CD2 3.47Å; F670-L694 VanDerWaalsContact CE2-CD2 3.47Å; F670-L694 HydrophobicContact CE2-CG 4.45Å; F670-L694 HydrophobicContact CG-CD2 4.19Å; F670-L694 HydrophobicContact CZ-CD1 3.82Å; F670-L694 HydrophobicContact CZ-CD2 3.98Å; F670-P699 HydrophobicContact CE2-CB 4.46Å |
| 671 | L | 59.7 | Low | 59.4 | Low | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -77.8 | -17.4 | 177.8 | -59.7 | -172.9 | 0 | 0 | 0 | 113.6 | R644 V649 I665 Q666 K669 N673 I675 | R644-L671 PolarHBondContact NH1-O 3.46Å; R644-L671 PolarHBondContact NH2-O 3.27Å; V649-L671 HydrophobicContact CB-CB 3.87Å; V649-L671 HydrophobicContact CB-CD1 3.59Å; V649-L671 HydrophobicContact CB-CG 4.28Å; V649-L671 HydrophobicContact CG1-CB 4.06Å; V649-L671 HydrophobicContact CG1-CD1 3.74Å; V649-L671 HydrophobicContact CG1-CD2 4.37Å; V649-L671 HydrophobicContact CG1-CG 4.27Å; V649-L671 HydrophobicContact CG2-CB 3.96Å; I665-L671 HydrophobicContact CG2-CD2 4.33Å; Q666-L671 HydrophobicContact CB-CD1 3.48Å; Q666-L671 VanDerWaalsContact CB-CD1 3.48Å; Q666-L671 HydrophobicContact CB-CG 4.15Å; Q666-L671 HydrophobicContact CG-CD1 3.69Å; Q666-L671 HydrophobicContact CG-CG 4.43Å; K669-L671 PolarHBondContact O-N 3.06Å; L671-N673 PolarHBondContact O-N 2.04Å; L671-I675 HydrophobicContact CD2-CD1 3.31Å; L671-I675 HydrophobicContact CD2-CG1 4.4Å |
| 672 | T | 60.4 | Low | 60.2 | Low | 104 Ų | 104 | 50.7 Ų | 50.7 | 64% | 0.638 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -68.7 | -23.2 | 168.2 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | K669 F670 | K669-T672 PolarHBondContact O-N 3.45Å; K669-T672 PolarHBondContact O-OG1 2.89Å; F670-T672 VanDerWaalsContact C-N 3.33Å |
| 673 | N | 63.7 | Low | 61 | Low | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -84 | 153.2 | 174.3 | -67.4 | -12.8 | 0 | 0 | 0 | 110.5 | F670 L671 I675 Y685 N686 | F670-N673 VanDerWaalsContact O-CB 3.24Å; F670-N673 WeakPolarHBondContact O-CB 3.07Å; F670-N673 PolarHBondContact O-N 3.28Å; L671-N673 PolarHBondContact O-N 2.04Å; N673-I675 PolarHBondContact O-N 3.13Å; N673-Y685 HydrophobicContact CB-CD2 3.74Å; N673-N686 WeakPolarHBondContact CB-O 3.07Å |
| 674 | F | 65.8 | Low | 61.7 | Low | 77 Ų | 77 | 44.3 Ų | 44.3 | 34% | 0.338 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.1 | -175.6 | -172.9 | -92.9 | 0 | 0 | 0 | 110.2 | D575 Y676 Y685 N686 | D575-F674 HydrophobicContact CB-CZ 4.21Å; F674-Y676 AromaticContact CD1-CD1 3.91Å; F674-Y676 HydrophobicContact CD1-CD1 3.91Å; F674-Y676 AromaticContact CD1-CE1 3.76Å; F674-Y676 HydrophobicContact CD1-CE1 3.76Å; F674-Y676 HydrophobicContact CD1-CG 4.41Å; F674-Y676 AromaticContact CE1-CD1 3.9Å; F674-Y676 HydrophobicContact CE1-CD1 3.9Å; F674-Y676 AromaticContact CE1-CE1 3.93Å; F674-Y676 HydrophobicContact CE1-CE1 3.93Å; F674-Y685 CarbonylContact O-C 3.51Å; F674-Y685 VanDerWaalsContact O-CA 3.26Å; F674-Y685 WeakPolarHBondContact O-CA 2.98Å; F674-N686 HydrophobicContact CB-CB 4.08Å; F674-N686 PolarHBondContact O-N 3.16Å |
| 675 | I | 67.1 | Low | 62.6 | Low | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.9 | 177.1 | -63.6 | 170.9 | 0 | 0 | 0 | 110 | M631 L671 N673 T678 V683 | M631-I675 HydrophobicContact CE-CG2 3.65Å; M631-I675 HydrophobicContact SD-CG2 4.29Å; L671-I675 HydrophobicContact CD2-CD1 3.31Å; L671-I675 HydrophobicContact CD2-CG1 4.4Å; N673-I675 PolarHBondContact O-N 3.13Å; I675-T678 HydrophobicContact CG2-CG2 4.08Å; I675-V683 HydrophobicContact CG1-CG1 4.43Å; I675-V683 HydrophobicContact CG2-CG1 4.24Å |
| 676 | Y | 65.7 | Low | 63.4 | Low | 28 Ų | 28 | 41.9 Ų | 41.9 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -40.2 | 175.4 | -66.6 | -73 | 0 | 0 | 0 | 112.9 | F674 L684 N686 A691 F712 I713 | F674-Y676 AromaticContact CD1-CD1 3.91Å; F674-Y676 HydrophobicContact CD1-CD1 3.91Å; F674-Y676 AromaticContact CD1-CE1 3.76Å; F674-Y676 HydrophobicContact CD1-CE1 3.76Å; F674-Y676 HydrophobicContact CD1-CG 4.41Å; F674-Y676 AromaticContact CE1-CD1 3.9Å; F674-Y676 HydrophobicContact CE1-CD1 3.9Å; F674-Y676 AromaticContact CE1-CE1 3.93Å; F674-Y676 HydrophobicContact CE1-CE1 3.93Å; Y676-L684 HydrophobicContact CD2-CG 4.34Å; Y676-L684 PolarHBondContact N-O 3.46Å; Y676-N686 HydrophobicContact CD2-CB 4.32Å; Y676-N686 HydrophobicContact CE2-CB 3.36Å; Y676-N686 PolarHBondContact OH-ND2 3.3Å; Y676-N686 VanDerWaalsContact OH-ND2 3.09Å; Y676-A691 HydrophobicContact CE2-CB 4.16Å; Y676-F712 HydrophobicContact CD1-CD2 4.27Å; Y676-I713 WeakPolarHBondContact CB-O 3.13Å; Y676-I713 HydrophobicContact CD2-CG2 4.37Å |
| 677 | S | 64.3 | Low | 64.2 | Low | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 154.9 | -174.3 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | M631 L684 | M631-S677 VanDerWaalsContact SD-C 3.56Å; S677-L684 PolarHBondContact N-O 3.02Å; S677-L684 PolarHBondContact O-N 3.31Å |
| 678 | T | 58.9 | Low | 64.8 | Low | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 149.6 | 171.3 | 67 | 0 | 0 | 0 | 0 | 109.7 | M631 I675 Y682 V683 | M631-T678 HydrophobicContact CE-CG2 4.01Å; M631-T678 VanDerWaalsContact SD-CB 3.6Å; M631-T678 HydrophobicContact SD-CG2 3.34Å; M631-T678 WeakPolarHBondContact SD-CG2 3.32Å; M631-T678 PolarHBondContact SD-N 3.07Å; M631-T678 PolarHBondContact SD-OG1 3.29Å; I675-T678 HydrophobicContact CG2-CG2 4.08Å; T678-Y682 CarbonylContact C-O 3.53Å; T678-Y682 WeakPolarHBondContact CA-O 2.99Å; T678-V683 HydrophobicContact CG2-CB 4.45Å; T678-V683 HydrophobicContact CG2-CG1 4.03Å; T678-V683 HydrophobicContact CG2-CG2 4.02Å |
| 679 | S | 58.4 | Low | 65.3 | Low | 8 Ų | 8 | 47.2 Ų | 47.2 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.4 | 160.9 | 66.5 | 0 | 0 | 0 | 0 | 107.9 | D633 P681 Y682 M717 | D633-S679 WeakPolarHBondContact OD2-CA 3.44Å; S679-P681 CarbonylContact O-C 3.55Å; S679-Y682 CarbonylContact C-O 3.27Å; S679-Y682 PolarHBondContact N-O 3.02Å; S679-Y682 CarbonylContact O-C 3.44Å; S679-Y682 WeakPolarHBondContact O-CA 3.43Å; S679-Y682 PolarHBondContact O-N 3.25Å; S679-M717 WeakPolarHBondContact CB-SD 3.46Å; S679-M717 PolarHBondContact OG-SD 3.5Å |
| 680 | L | 54.4 | Low | 65.8 | Low | 79 Ų | 79 | 40.6 Ų | 40.6 | 41% | 0.414 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 120.5 | 164.5 | -166.1 | 74.7 | 0 | 0 | 0 | 107.6 | S635 V696 | S635-L680 WeakPolarHBondContact OG-CB 3.48Å; S635-L680 PolarHBondContact OG-N 3.21Å; L680-V696 HydrophobicContact CD1-CG1 4.4Å |
| 681 | P | 57.6 | Low | 66.5 | Low | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -110 | 42.8 | 8.4 | 41.9 | -36.7 | 0 | 0 | 0 | 115.2 | S679 S695 V696 E697 | S679-P681 CarbonylContact O-C 3.55Å; P681-S695 CarbonylContact O-C 3.55Å; P681-S695 VanDerWaalsContact O-CA 3.27Å; P681-S695 WeakPolarHBondContact O-CA 3.44Å; P681-V696 PolarHBondContact O-N 3.46Å; P681-E697 HydrophobicContact CB-CB 4.19Å; P681-E697 HydrophobicContact CB-CG 3.6Å |
| 682 | Y | 65.5 | Low | 67.2 | Low | 61 Ų | 61 | 39.6 Ų | 39.6 | 24% | 0.239 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.5 | -179 | -56.3 | -80.2 | 0 | 0 | 0 | 116 | I471 T678 S679 V693 L694 | I471-Y682 HydrophobicContact CD1-CD2 3.82Å; I471-Y682 HydrophobicContact CD1-CE1 4.16Å; I471-Y682 HydrophobicContact CD1-CE2 3.27Å; I471-Y682 HydrophobicContact CD1-CG 4.45Å; I471-Y682 VanDerWaalsContact CD1-CZ 3.47Å; I471-Y682 HydrophobicContact CG1-CE2 4.28Å; T678-Y682 CarbonylContact C-O 3.53Å; T678-Y682 WeakPolarHBondContact CA-O 2.99Å; S679-Y682 CarbonylContact C-O 3.27Å; S679-Y682 PolarHBondContact N-O 3.02Å; S679-Y682 CarbonylContact O-C 3.44Å; S679-Y682 WeakPolarHBondContact O-CA 3.43Å; S679-Y682 PolarHBondContact O-N 3.25Å; Y682-V693 HydrophobicContact CD1-CG1 4.15Å; Y682-L694 CarbonylContact C-O 3.5Å; Y682-L694 WeakPolarHBondContact CA-O 3.26Å |
| 683 | V | 69.7 | Low | 67.8 | Low | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.3 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | I665 I675 T678 V693 L694 V696 | I665-V683 HydrophobicContact CD1-CG2 3.68Å; I675-V683 HydrophobicContact CG1-CG1 4.43Å; I675-V683 HydrophobicContact CG2-CG1 4.24Å; T678-V683 HydrophobicContact CG2-CB 4.45Å; T678-V683 HydrophobicContact CG2-CG1 4.03Å; T678-V683 HydrophobicContact CG2-CG2 4.02Å; V683-V693 CarbonylContact O-C 3.49Å; V683-V693 VanDerWaalsContact O-CA 3.29Å; V683-V693 WeakPolarHBondContact O-CA 3.5Å; V683-L694 PolarHBondContact N-O 3.38Å; V683-L694 PolarHBondContact O-N 2.98Å; V683-V696 HydrophobicContact CG2-CG2 3.49Å; V683-V696 VanDerWaalsContact CG2-CG2 3.49Å |
| 684 | L | 72.9 | Confident | 68.1 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.1 | 173.6 | -177.9 | 73.2 | 0 | 0 | 0 | 110.3 | Y676 S677 S692 V693 F706 I713 I715 | Y676-L684 HydrophobicContact CD2-CG 4.34Å; Y676-L684 PolarHBondContact N-O 3.46Å; S677-L684 PolarHBondContact N-O 3.02Å; S677-L684 PolarHBondContact O-N 3.31Å; L684-S692 CarbonylContact C-O 3.47Å; L684-S692 VanDerWaalsContact CA-O 3.32Å; L684-S692 WeakPolarHBondContact CA-O 3.33Å; L684-V693 HydrophobicContact CD1-CG2 3.5Å; L684-V693 VanDerWaalsContact CD1-CG2 3.5Å; L684-F706 HydrophobicContact CD1-CE2 3.95Å; L684-I713 HydrophobicContact CD1-CG2 4.13Å; L684-I713 HydrophobicContact CD2-CB 4.02Å; L684-I713 HydrophobicContact CD2-CG1 3.88Å; L684-I713 HydrophobicContact CD2-CG2 3.61Å; L684-I713 WeakPolarHBondContact CD2-O 2.94Å; L684-I713 HydrophobicContact CG-CG2 4.17Å; L684-I715 HydrophobicContact CB-CD1 3.99Å; L684-I715 HydrophobicContact CB-CG1 4.11Å; L684-I715 HydrophobicContact CD2-CG1 4.42Å |
| 685 | Y | 74.9 | Confident | 68.1 | Low | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 166.2 | -174.9 | 66.9 | -76.9 | 0 | 0 | 0 | 111.9 | F670 N673 F674 D687 A691 S692 L694 | F670-Y685 HydrophobicContact CD1-CD2 4.3Å; F670-Y685 HydrophobicContact CD1-CE1 4.19Å; F670-Y685 AromaticContact CD1-CE2 3.61Å; F670-Y685 HydrophobicContact CD1-CE2 3.61Å; F670-Y685 AromaticContact CD1-CZ 3.55Å; F670-Y685 HydrophobicContact CE1-CE2 4.21Å; F670-Y685 AromaticContact CE1-CZ 3.82Å; F670-Y685 WeakPolarHBondContact CE1-OH 3.23Å; N673-Y685 HydrophobicContact CB-CD2 3.74Å; F674-Y685 CarbonylContact O-C 3.51Å; F674-Y685 VanDerWaalsContact O-CA 3.26Å; F674-Y685 WeakPolarHBondContact O-CA 2.98Å; Y685-D687 HydrophobicContact CD2-CB 4.29Å; Y685-D687 HydrophobicContact CE2-CB 3.87Å; Y685-A691 CarbonylContact O-C 3.52Å; Y685-A691 WeakPolarHBondContact O-CA 3Å; Y685-S692 WeakPolarHBondContact CD1-O 3.14Å; Y685-S692 WeakPolarHBondContact CE1-O 3.22Å; Y685-S692 PolarHBondContact N-O 3.35Å; Y685-S692 PolarHBondContact O-N 3.27Å; Y685-L694 HydrophobicContact CD1-CB 4.49Å; Y685-L694 HydrophobicContact CE1-CB 3.92Å |
| 686 | N | 72.6 | Confident | 67.8 | Low | 56 Ų | 56 | 29.7 Ų | 29.7 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.4 | 177.1 | -157.5 | 18.7 | 0 | 0 | 0 | 111.8 | N673 F674 Y676 G690 A691 | N673-N686 WeakPolarHBondContact CB-O 3.07Å; F674-N686 HydrophobicContact CB-CB 4.08Å; F674-N686 PolarHBondContact O-N 3.16Å; Y676-N686 HydrophobicContact CD2-CB 4.32Å; Y676-N686 HydrophobicContact CE2-CB 3.36Å; Y676-N686 PolarHBondContact OH-ND2 3.3Å; Y676-N686 VanDerWaalsContact OH-ND2 3.09Å; N686-G690 PolarHBondContact OD1-O 3.31Å; N686-G690 VanDerWaalsContact OD1-O 3.09Å; N686-A691 PolarHBondContact OD1-N 3.13Å |
| 687 | D | 72.1 | Confident | 67.5 | Low | 37 Ų | 37 | 33.9 Ų | 33.9 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | trans | -108.8 | -170.1 | 174.6 | 75.6 | 7.3 | 0 | 0 | 0 | 112.6 | Y685 K689 G690 S692 | Y685-D687 HydrophobicContact CD2-CB 4.29Å; Y685-D687 HydrophobicContact CE2-CB 3.87Å; D687-K689 PolarHBondContact O-N 2.95Å; D687-K689 WeakPolarHBondContact OD1-CA 3.11Å; D687-K689 WeakPolarHBondContact OD1-CB 3.47Å; D687-K689 PolarHBondContact OD1-N 3.49Å; D687-G690 PolarHBondContact N-O 3.46Å; D687-G690 PolarHBondContact O-N 2.94Å; D687-G690 PolarHBondContact OD1-N 3.06Å; D687-G690 VanDerWaalsContact OD1-O 3.06Å; D687-S692 PolarHBondContact OD2-OG 3.44Å | ||
| 688 | S | 72.9 | Confident | 67.4 | Low | 126 Ų | 126 | 37.8 Ų | 37.8 | 88% | 0.881 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -64.7 | -17.7 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 689 | K | 71.7 | Confident | 67.3 | Low | 152 Ų | 152 | 37.8 Ų | 37.8 | 66% | 0.661 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -100.1 | -17.2 | -178.9 | -61.5 | -179.4 | 179.9 | -179.8 | 0 | 112.5 | D687 T705 | D687-K689 PolarHBondContact O-N 2.95Å; D687-K689 WeakPolarHBondContact OD1-CA 3.11Å; D687-K689 WeakPolarHBondContact OD1-CB 3.47Å; D687-K689 PolarHBondContact OD1-N 3.49Å; K689-T705 HydrophobicContact CB-CG2 3.49Å; K689-T705 VanDerWaalsContact CB-CG2 3.49Å; K689-T705 HydrophobicContact CD-CG2 4.37Å |
| 690 | G | 73 | Confident | 67.6 | Low | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 139.7 | -160 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N686 D687 | N686-G690 PolarHBondContact OD1-O 3.31Å; N686-G690 VanDerWaalsContact OD1-O 3.09Å; D687-G690 PolarHBondContact N-O 3.46Å; D687-G690 PolarHBondContact O-N 2.94Å; D687-G690 PolarHBondContact OD1-N 3.06Å; D687-G690 VanDerWaalsContact OD1-O 3.06Å |
| 691 | A | 74.4 | Confident | 67.7 | Low | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 141 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y676 Y685 N686 F706 F710 I713 | Y676-A691 HydrophobicContact CE2-CB 4.16Å; Y685-A691 CarbonylContact O-C 3.52Å; Y685-A691 WeakPolarHBondContact O-CA 3Å; N686-A691 PolarHBondContact OD1-N 3.13Å; A691-F706 HydrophobicContact CB-CB 4.48Å; A691-F706 HydrophobicContact CB-CD2 3.93Å; A691-F706 VanDerWaalsContact O-CD2 3.27Å; A691-F706 WeakPolarHBondContact O-CD2 3.46Å; A691-F706 PolarHBondContact O-N 3.46Å; A691-F710 HydrophobicContact CB-CD2 3.82Å; A691-F710 HydrophobicContact CB-CE2 4.17Å; A691-I713 HydrophobicContact CB-CG2 3.72Å |
| 692 | S | 75.4 | Confident | 67.7 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.3 | -178.8 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | L684 Y685 D687 I704 T705 | L684-S692 CarbonylContact C-O 3.47Å; L684-S692 VanDerWaalsContact CA-O 3.32Å; L684-S692 WeakPolarHBondContact CA-O 3.33Å; Y685-S692 WeakPolarHBondContact CD1-O 3.14Å; Y685-S692 WeakPolarHBondContact CE1-O 3.22Å; Y685-S692 PolarHBondContact N-O 3.35Å; Y685-S692 PolarHBondContact O-N 3.27Å; D687-S692 PolarHBondContact OD2-OG 3.44Å; S692-I704 CarbonylContact C-O 3.59Å; S692-I704 WeakPolarHBondContact CA-O 3.48Å; S692-I704 WeakPolarHBondContact CB-O 3.08Å; S692-T705 WeakPolarHBondContact OG-CA 3.18Å; S692-T705 WeakPolarHBondContact OG-CB 3.4Å; S692-T705 PolarHBondContact OG-OG1 2.93Å |
| 693 | V | 73.5 | Confident | 67.7 | Low | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.2 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | F473 Y682 V683 L684 K703 I704 F706 I715 | F473-V693 HydrophobicContact CE1-CG2 3.81Å; F473-V693 HydrophobicContact CZ-CG2 4.4Å; Y682-V693 HydrophobicContact CD1-CG1 4.15Å; V683-V693 CarbonylContact O-C 3.49Å; V683-V693 VanDerWaalsContact O-CA 3.29Å; V683-V693 WeakPolarHBondContact O-CA 3.5Å; L684-V693 HydrophobicContact CD1-CG2 3.5Å; L684-V693 VanDerWaalsContact CD1-CG2 3.5Å; V693-K703 WeakPolarHBondContact O-CA 3.36Å; V693-I704 HydrophobicContact CB-CB 4.32Å; V693-I704 PolarHBondContact N-O 2.89Å; V693-I704 PolarHBondContact O-N 3.32Å; V693-F706 HydrophobicContact CG2-CE2 3.74Å; V693-F706 HydrophobicContact CG2-CZ 4.14Å; V693-I715 HydrophobicContact CG1-CD1 4.35Å |
| 694 | L | 68.9 | Low | 67.6 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.9 | 178.3 | -172.4 | 77.7 | 0 | 0 | 0 | 110.2 | I665 F670 Y682 V683 Y685 P699 V702 K703 | I665-L694 HydrophobicContact CD1-CD2 4.4Å; I665-L694 HydrophobicContact CG1-CD2 4.41Å; F670-L694 HydrophobicContact CD2-CD2 3.62Å; F670-L694 HydrophobicContact CE1-CD1 4.32Å; F670-L694 HydrophobicContact CE1-CD2 4.5Å; F670-L694 HydrophobicContact CE2-CD1 4.1Å; F670-L694 HydrophobicContact CE2-CD2 3.47Å; F670-L694 VanDerWaalsContact CE2-CD2 3.47Å; F670-L694 HydrophobicContact CE2-CG 4.45Å; F670-L694 HydrophobicContact CG-CD2 4.19Å; F670-L694 HydrophobicContact CZ-CD1 3.82Å; F670-L694 HydrophobicContact CZ-CD2 3.98Å; Y682-L694 CarbonylContact C-O 3.5Å; Y682-L694 WeakPolarHBondContact CA-O 3.26Å; V683-L694 PolarHBondContact N-O 3.38Å; V683-L694 PolarHBondContact O-N 2.98Å; Y685-L694 HydrophobicContact CD1-CB 4.49Å; Y685-L694 HydrophobicContact CE1-CB 3.92Å; L694-P699 HydrophobicContact CD1-CB 4.1Å; L694-P699 WeakPolarHBondContact CD1-O 3.02Å; L694-P699 HydrophobicContact CD2-CB 4.06Å; L694-P699 HydrophobicContact CG-CB 4.24Å; L694-V702 WeakPolarHBondContact CA-O 3.39Å; L694-K703 HydrophobicContact CD1-CD 4.16Å; L694-K703 VanDerWaalsContact CD1-CE 3.43Å; L694-K703 HydrophobicContact CD1-CG 3.56Å |
| 695 | S | 67.4 | Low | 67.6 | Low | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.7 | 164.6 | 178.8 | 0 | 0 | 0 | 0 | 111 | P681 E697 N698 P699 V702 | P681-S695 CarbonylContact O-C 3.55Å; P681-S695 VanDerWaalsContact O-CA 3.27Å; P681-S695 WeakPolarHBondContact O-CA 3.44Å; S695-E697 PolarHBondContact OG-N 3.17Å; S695-N698 CarbonylContact O-C 3.54Å; S695-N698 PolarHBondContact OG-N 3.28Å; S695-P699 WeakPolarHBondContact O-CA 3.43Å; S695-V702 PolarHBondContact N-O 3.48Å |
| 696 | V | 59.2 | Low | 67.3 | Low | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -71.3 | -36.4 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | T661 I665 L680 P681 V683 N698 | T661-V696 HydrophobicContact CG2-CG1 3.55Å; I665-V696 HydrophobicContact CD1-CB 4.5Å; I665-V696 HydrophobicContact CD1-CG1 4.26Å; I665-V696 HydrophobicContact CD1-CG2 4Å; L680-V696 HydrophobicContact CD1-CG1 4.4Å; P681-V696 PolarHBondContact O-N 3.46Å; V683-V696 HydrophobicContact CG2-CG2 3.49Å; V683-V696 VanDerWaalsContact CG2-CG2 3.49Å; V696-N698 VanDerWaalsContact C-N 3.31Å |
| 697 | E | 60.7 | Low | 66.9 | Low | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66.6 | -35 | 178.8 | -81.5 | 173 | -169.6 | 0 | 0 | 111.6 | P681 S695 | P681-E697 HydrophobicContact CB-CB 4.19Å; P681-E697 HydrophobicContact CB-CG 3.6Å; S695-E697 PolarHBondContact OG-N 3.17Å |
| 698 | N | 60.9 | Low | 66.5 | Low | 85 Ų | 85 | 62.2 Ų | 62.2 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -146.2 | 92.7 | 172.5 | -103.4 | -22.6 | 0 | 0 | 0 | 110.5 | S695 V696 D700 D701 | S695-N698 CarbonylContact O-C 3.54Å; S695-N698 PolarHBondContact OG-N 3.28Å; V696-N698 VanDerWaalsContact C-N 3.31Å; N698-D700 PolarHBondContact O-N 3.24Å; N698-D701 HydrophobicContact CB-CB 3.86Å; N698-D701 VanDerWaalsContact CB-OD2 3.26Å; N698-D701 WeakPolarHBondContact CB-OD2 3.32Å; N698-D701 PolarHBondContact ND2-OD2 3.47Å; N698-D701 PolarHBondContact O-N 3.18Å; N698-D701 VanDerWaalsContact O-N 3.1Å | ||
| 699 | P | 57.6 | Low | 66.5 | Low | 15 Ų | 15 | 65.8 Ų | 65.8 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.2 | 179.9 | -29.5 | 36.9 | 0 | 0 | 0 | 114.4 | F670 L694 S695 K703 | F670-P699 HydrophobicContact CE2-CB 4.46Å; L694-P699 HydrophobicContact CD1-CB 4.1Å; L694-P699 WeakPolarHBondContact CD1-O 3.02Å; L694-P699 HydrophobicContact CD2-CB 4.06Å; L694-P699 HydrophobicContact CG-CB 4.24Å; S695-P699 WeakPolarHBondContact O-CA 3.43Å; P699-K703 WeakPolarHBondContact O-CE 3.4Å |
| 700 | D | 63.8 | Low | 66.6 | Low | 134 Ų | 134 | 59.3 Ų | 59.3 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -17.8 | -176.9 | -66.7 | -36.4 | 0 | 0 | 0 | 113.8 | N698 K703 | N698-D700 PolarHBondContact O-N 3.24Å; D700-K703 IonicContact OD1-NZ 3.8Å |
| 701 | D | 57.1 | Low | 66.9 | Low | 114 Ų | 114 | 61.5 Ų | 61.5 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -31.4 | -170.1 | -75.6 | -7.8 | 0 | 0 | 0 | 113.5 | N698 | N698-D701 HydrophobicContact CB-CB 3.86Å; N698-D701 VanDerWaalsContact CB-OD2 3.26Å; N698-D701 WeakPolarHBondContact CB-OD2 3.32Å; N698-D701 PolarHBondContact ND2-OD2 3.47Å; N698-D701 PolarHBondContact O-N 3.18Å; N698-D701 VanDerWaalsContact O-N 3.1Å |
| 702 | V | 57.4 | Low | 67.2 | Low | 59 Ų | 59 | 61.8 Ų | 61.8 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | trans | -141.6 | 101 | -175.3 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | L694 S695 I704 | L694-V702 WeakPolarHBondContact CA-O 3.39Å; S695-V702 PolarHBondContact N-O 3.48Å; V702-I704 HydrophobicContact CG1-CD1 3.88Å; V702-I704 HydrophobicContact CG1-CG1 3.89Å | ||
| 703 | K | 65.5 | Low | 67.4 | Low | 102 Ų | 102 | 61.8 Ų | 61.8 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 112.6 | 166.2 | -74.8 | 172.3 | -175.2 | 152.1 | 0 | 108.3 | V693 L694 P699 D700 | V693-K703 WeakPolarHBondContact O-CA 3.36Å; L694-K703 HydrophobicContact CD1-CD 4.16Å; L694-K703 VanDerWaalsContact CD1-CE 3.43Å; L694-K703 HydrophobicContact CD1-CG 3.56Å; P699-K703 WeakPolarHBondContact O-CE 3.4Å; D700-K703 IonicContact OD1-NZ 3.8Å |
| 704 | I | 67.5 | Low | 67.5 | Low | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.205 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.9 | 177.8 | -65.2 | 173.5 | 0 | 0 | 0 | 106.8 | F487 S692 V693 V702 | F487-I704 HydrophobicContact CD1-CD1 4.03Å; F487-I704 HydrophobicContact CD1-CG2 4.23Å; F487-I704 HydrophobicContact CD2-CG2 3.63Å; F487-I704 HydrophobicContact CE1-CD1 4.29Å; F487-I704 HydrophobicContact CE1-CG2 3.71Å; F487-I704 HydrophobicContact CE2-CB 4.49Å; F487-I704 HydrophobicContact CE2-CG2 3.05Å; F487-I704 HydrophobicContact CG-CD1 4.17Å; F487-I704 HydrophobicContact CG-CG2 4.21Å; F487-I704 HydrophobicContact CZ-CB 4.46Å; F487-I704 HydrophobicContact CZ-CG2 3.1Å; S692-I704 CarbonylContact C-O 3.59Å; S692-I704 WeakPolarHBondContact CA-O 3.48Å; S692-I704 WeakPolarHBondContact CB-O 3.08Å; V693-I704 HydrophobicContact CB-CB 4.32Å; V693-I704 PolarHBondContact N-O 2.89Å; V693-I704 PolarHBondContact O-N 3.32Å; V702-I704 HydrophobicContact CG1-CD1 3.88Å; V702-I704 HydrophobicContact CG1-CG1 3.89Å |
| 705 | T | 72.9 | Confident | 67.7 | Low | 54 Ų | 54 | 62.2 Ų | 62.2 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 109 | K689 S692 | K689-T705 HydrophobicContact CB-CG2 3.49Å; K689-T705 VanDerWaalsContact CB-CG2 3.49Å; K689-T705 HydrophobicContact CD-CG2 4.37Å; S692-T705 WeakPolarHBondContact OG-CA 3.18Å; S692-T705 WeakPolarHBondContact OG-CB 3.4Å; S692-T705 PolarHBondContact OG-OG1 2.93Å |
| 706 | F | 69 | Low | 67.8 | Low | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -96.9 | 131.4 | 173.9 | -55.5 | -88.4 | 0 | 0 | 0 | 109.6 | F473 F487 F490 L684 A691 V693 D708 F710 I713 | F473-F706 HydrophobicContact CD1-CZ 4.17Å; F473-F706 HydrophobicContact CE1-CZ 4.12Å; F487-F706 HydrophobicContact CD2-CD1 4.37Å; F487-F706 AromaticContact CD2-CE1 3.44Å; F487-F706 HydrophobicContact CD2-CE1 3.44Å; F487-F706 VanDerWaalsContact CD2-CE1 3.44Å; F487-F706 AromaticContact CD2-CZ 3.78Å; F487-F706 HydrophobicContact CD2-CZ 3.78Å; F487-F706 AromaticContact CE2-CD1 3.79Å; F487-F706 HydrophobicContact CE2-CD1 3.79Å; F487-F706 AromaticContact CE2-CE1 3.3Å; F487-F706 HydrophobicContact CE2-CE1 3.3Å; F487-F706 AromaticContact CE2-CZ 3.88Å; F487-F706 HydrophobicContact CE2-CZ 3.88Å; F490-F706 HydrophobicContact CB-CE1 4.46Å; F490-F706 AromaticContact CD1-CD1 3.94Å; F490-F706 HydrophobicContact CD1-CD1 3.94Å; F490-F706 HydrophobicContact CD1-CE1 4.37Å; F490-F706 HydrophobicContact CD2-CE1 4.44Å; F490-F706 HydrophobicContact CE1-CD1 4.41Å; F490-F706 HydrophobicContact CG-CD1 4.14Å; F490-F706 HydrophobicContact CG-CE1 4.1Å; L684-F706 HydrophobicContact CD1-CE2 3.95Å; A691-F706 HydrophobicContact CB-CB 4.48Å; A691-F706 HydrophobicContact CB-CD2 3.93Å; A691-F706 VanDerWaalsContact O-CD2 3.27Å; A691-F706 WeakPolarHBondContact O-CD2 3.46Å; A691-F706 PolarHBondContact O-N 3.46Å; V693-F706 HydrophobicContact CG2-CE2 3.74Å; V693-F706 HydrophobicContact CG2-CZ 4.14Å; F706-D708 VanDerWaalsContact C-N 3.25Å; F706-D708 PolarHBondContact O-N 3.45Å; F706-F710 HydrophobicContact CB-CE2 3.41Å; F706-F710 VanDerWaalsContact CB-CE2 3.41Å; F706-F710 HydrophobicContact CB-CZ 3.86Å; F706-F710 HydrophobicContact CD1-CE2 4.48Å; F706-F710 HydrophobicContact CD1-CZ 4.12Å; F706-F710 HydrophobicContact CD2-CE2 4.47Å; F706-F710 AromaticContact CG-CE2 3.94Å; F706-F710 HydrophobicContact CG-CE2 3.94Å; F706-F710 HydrophobicContact CG-CZ 4.03Å; F706-I713 HydrophobicContact CD2-CD1 4.29Å; F706-I713 HydrophobicContact CE1-CD1 4.23Å; F706-I713 HydrophobicContact CE2-CD1 3.89Å; F706-I713 HydrophobicContact CZ-CD1 3.88Å | ||
| 707 | E | 64.8 | Low | 67.7 | Low | 184 Ų | 184 | 63.6 Ų | 63.6 | 86% | 0.86 | 32% | 0.317 | S | S | * | . | trans | -71.2 | -20.8 | 177.9 | -64.4 | -169.2 | 160.3 | 0 | 0 | 113.2 | ||||
| 708 | D | 63.8 | Low | 67.5 | Low | 78 Ų | 78 | 59 Ų | 59 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -77.4 | 142.6 | -173.5 | -80.6 | -34.4 | 0 | 0 | 0 | 113.4 | F490 F706 F710 | F490-D708 HydrophobicContact CE1-CB 4.44Å; F490-D708 WeakPolarHBondContact CE1-OD2 3.43Å; F706-D708 VanDerWaalsContact C-N 3.25Å; F706-D708 PolarHBondContact O-N 3.45Å; D708-F710 HydrophobicContact CB-CD2 4.16Å; D708-F710 HydrophobicContact CB-CE2 3.56Å; D708-F710 HydrophobicContact CB-CZ 3.78Å; D708-F710 WeakPolarHBondContact O-CD2 3.13Å; D708-F710 WeakPolarHBondContact O-CE2 3.17Å; D708-F710 PolarHBondContact O-N 2.83Å; D708-F710 VanDerWaalsContact O-N 3.15Å |
| 709 | K | 72 | Confident | 67 | Low | 202 Ų | 202 | 63 Ų | 63 | 88% | 0.878 | 31% | 0.314 | S | S | * | . | trans | -83.9 | 84.4 | 169.4 | -69.1 | -175.9 | -178.3 | 179.3 | 0 | 109.4 | ||||
| 710 | F | 74.6 | Confident | 66.9 | Low | 15 Ų | 15 | 65 Ų | 65 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | trans | -63.9 | 139.5 | 174.3 | -60 | -95.2 | 0 | 0 | 0 | 111.2 | V477 F482 F490 A691 F706 D708 F712 I713 | V477-F710 HydrophobicContact CG2-CB 4.38Å; V477-F710 HydrophobicContact CG2-CD1 3.22Å; V477-F710 HydrophobicContact CG2-CE1 3.63Å; V477-F710 HydrophobicContact CG2-CG 4.01Å; F482-F710 HydrophobicContact CE1-CD1 4.16Å; F482-F710 HydrophobicContact CE1-CE1 4.21Å; F482-F710 HydrophobicContact CZ-CD1 4.05Å; F482-F710 AromaticContact CZ-CE1 3.84Å; F482-F710 HydrophobicContact CZ-CE1 3.84Å; F490-F710 HydrophobicContact CD1-CZ 4.28Å; F490-F710 AromaticContact CE1-CE1 3.81Å; F490-F710 HydrophobicContact CE1-CE1 3.81Å; F490-F710 HydrophobicContact CE1-CE2 4.49Å; F490-F710 AromaticContact CE1-CZ 3.36Å; F490-F710 HydrophobicContact CE1-CZ 3.36Å; F490-F710 AromaticContact CE2-CE1 3.48Å; F490-F710 HydrophobicContact CE2-CE1 3.48Å; F490-F710 VanDerWaalsContact CE2-CE1 3.48Å; F490-F710 AromaticContact CE2-CZ 3.81Å; F490-F710 HydrophobicContact CE2-CZ 3.81Å; F490-F710 HydrophobicContact CZ-CD1 4.31Å; F490-F710 AromaticContact CZ-CE1 3.04Å; F490-F710 HydrophobicContact CZ-CE1 3.04Å; F490-F710 HydrophobicContact CZ-CE2 4.46Å; F490-F710 AromaticContact CZ-CZ 3.13Å; F490-F710 HydrophobicContact CZ-CZ 3.13Å; A691-F710 HydrophobicContact CB-CD2 3.82Å; A691-F710 HydrophobicContact CB-CE2 4.17Å; F706-F710 HydrophobicContact CB-CE2 3.41Å; F706-F710 VanDerWaalsContact CB-CE2 3.41Å; F706-F710 HydrophobicContact CB-CZ 3.86Å; F706-F710 HydrophobicContact CD1-CE2 4.48Å; F706-F710 HydrophobicContact CD1-CZ 4.12Å; F706-F710 HydrophobicContact CD2-CE2 4.47Å; F706-F710 AromaticContact CG-CE2 3.94Å; F706-F710 HydrophobicContact CG-CE2 3.94Å; F706-F710 HydrophobicContact CG-CZ 4.03Å; D708-F710 HydrophobicContact CB-CD2 4.16Å; D708-F710 HydrophobicContact CB-CE2 3.56Å; D708-F710 HydrophobicContact CB-CZ 3.78Å; D708-F710 WeakPolarHBondContact O-CD2 3.13Å; D708-F710 WeakPolarHBondContact O-CE2 3.17Å; D708-F710 PolarHBondContact O-N 2.83Å; D708-F710 VanDerWaalsContact O-N 3.15Å; F710-F712 VanDerWaalsContact C-N 3.29Å; F710-I713 HydrophobicContact CB-CB 4.36Å; F710-I713 HydrophobicContact CB-CG2 4.17Å; F710-I713 HydrophobicContact CD1-CB 3.88Å; F710-I713 HydrophobicContact CD1-CD1 4.11Å; F710-I713 HydrophobicContact CD1-CG1 4.49Å; F710-I713 HydrophobicContact CD1-CG2 4.3Å; F710-I713 HydrophobicContact CD2-CG2 4.26Å; F710-I713 HydrophobicContact CE1-CB 4.37Å; F710-I713 HydrophobicContact CE1-CD1 3.7Å; F710-I713 HydrophobicContact CG-CB 4.06Å; F710-I713 HydrophobicContact CG-CG2 3.98Å; F710-I713 HydrophobicContact CZ-CD1 3.94Å | ||
| 711 | D | 78.2 | Confident | 66.6 | Low | 59 Ų | 59 | 58.8 Ų | 58.8 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.4 | -41.2 | 162.6 | -57 | -52.7 | 0 | 0 | 0 | 108.6 | V476 N478 I506 | V476-D711 HydrophobicContact CB-CB 4.34Å; V476-D711 HydrophobicContact CG1-CB 4.42Å; V476-D711 WeakPolarHBondContact O-CB 3.46Å; V476-D711 PolarHBondContact O-N 3.28Å; N478-D711 PolarHBondContact N-OD2 2.97Å; I506-D711 HydrophobicContact CB-CB 4.15Å |
| 712 | F | 80.7 | Confident | 66.6 | Low | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 145.8 | 172.4 | 179.3 | -92.3 | 0 | 0 | 0 | 111.3 | Y474 G475 V476 R507 A508 Y676 F710 | Y474-F712 HydrophobicContact CD2-CE1 4.48Å; Y474-F712 AromaticContact CE2-CE1 3.76Å; Y474-F712 HydrophobicContact CE2-CE1 3.76Å; G475-F712 CarbonylContact C-O 3.38Å; G475-F712 WeakPolarHBondContact CA-O 3.21Å; V476-F712 PolarHBondContact N-O 2.85Å; V476-F712 PolarHBondContact O-N 3.31Å; R507-F712 HydrophobicContact CB-CD2 4.34Å; R507-F712 HydrophobicContact CG-CD2 3.7Å; R507-F712 HydrophobicContact CG-CE2 3.8Å; R507-F712 HydrophobicContact CG-CG 4.22Å; R507-F712 HydrophobicContact CG-CZ 4.41Å; A508-F712 HydrophobicContact CB-CD1 3.91Å; A508-F712 HydrophobicContact CB-CE1 4.33Å; A508-F712 WeakPolarHBondContact O-CE1 3.27Å; A508-F712 WeakPolarHBondContact O-CZ 3.43Å; Y676-F712 HydrophobicContact CD1-CD2 4.27Å; F710-F712 VanDerWaalsContact C-N 3.29Å |
| 713 | I | 79 | Confident | 66.6 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.1 | 168.9 | -177.9 | 164.6 | 0 | 0 | 0 | 109.4 | F473 Y474 F482 Y676 L684 A691 F706 F710 | F473-I713 HydrophobicContact CD1-CD1 4.37Å; Y474-I713 CarbonylContact O-C 3.56Å; Y474-I713 WeakPolarHBondContact O-CA 3.13Å; F482-I713 HydrophobicContact CZ-CD1 4.44Å; F482-I713 HydrophobicContact CZ-CG1 4.46Å; Y676-I713 WeakPolarHBondContact CB-O 3.13Å; Y676-I713 HydrophobicContact CD2-CG2 4.37Å; L684-I713 HydrophobicContact CD1-CG2 4.13Å; L684-I713 HydrophobicContact CD2-CB 4.02Å; L684-I713 HydrophobicContact CD2-CG1 3.88Å; L684-I713 HydrophobicContact CD2-CG2 3.61Å; L684-I713 WeakPolarHBondContact CD2-O 2.94Å; L684-I713 HydrophobicContact CG-CG2 4.17Å; A691-I713 HydrophobicContact CB-CG2 3.72Å; F706-I713 HydrophobicContact CD2-CD1 4.29Å; F706-I713 HydrophobicContact CE1-CD1 4.23Å; F706-I713 HydrophobicContact CE2-CD1 3.89Å; F706-I713 HydrophobicContact CZ-CD1 3.88Å; F710-I713 HydrophobicContact CB-CB 4.36Å; F710-I713 HydrophobicContact CB-CG2 4.17Å; F710-I713 HydrophobicContact CD1-CB 3.88Å; F710-I713 HydrophobicContact CD1-CD1 4.11Å; F710-I713 HydrophobicContact CD1-CG1 4.49Å; F710-I713 HydrophobicContact CD1-CG2 4.3Å; F710-I713 HydrophobicContact CD2-CG2 4.26Å; F710-I713 HydrophobicContact CE1-CB 4.37Å; F710-I713 HydrophobicContact CE1-CD1 3.7Å; F710-I713 HydrophobicContact CG-CB 4.06Å; F710-I713 HydrophobicContact CG-CG2 3.98Å; F710-I713 HydrophobicContact CZ-CD1 3.94Å |
| 714 | G | 77.1 | Confident | 66.2 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 158.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | F473 Y474 | F473-G714 WeakPolarHBondContact CA-O 3.31Å; Y474-G714 WeakPolarHBondContact CD1-O 3.38Å; Y474-G714 PolarHBondContact N-O 2.99Å; Y474-G714 PolarHBondContact O-N 2.64Å |
| 715 | I | 72.7 | Confident | 65.7 | Low | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.4 | -179.6 | -56 | 177.9 | 0 | 0 | 0 | 108.4 | I471 F473 L684 V693 M717 | I471-I715 HydrophobicContact CG2-CG2 3.63Å; F473-I715 HydrophobicContact CE1-CG1 4.23Å; L684-I715 HydrophobicContact CB-CD1 3.99Å; L684-I715 HydrophobicContact CB-CG1 4.11Å; L684-I715 HydrophobicContact CD2-CG1 4.42Å; V693-I715 HydrophobicContact CG1-CD1 4.35Å; I715-M717 HydrophobicContact CG2-CG 4.25Å |
| 716 | Y | 69.5 | Low | 64.6 | Low | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.5 | 175.1 | -178.4 | -111.9 | 0 | 0 | 0 | 110.4 | S472 L510 G718 K719 L721 | S472-Y716 PolarHBondContact N-O 3.5Å; S472-Y716 WeakPolarHBondContact O-CA 3.39Å; S472-Y716 WeakPolarHBondContact O-CB 3.39Å; S472-Y716 PolarHBondContact O-N 2.77Å; L510-Y716 HydrophobicContact CD2-CD1 3.92Å; L510-Y716 HydrophobicContact CD2-CD2 3.47Å; L510-Y716 VanDerWaalsContact CD2-CD2 3.47Å; L510-Y716 HydrophobicContact CD2-CE1 4.33Å; L510-Y716 HydrophobicContact CD2-CE2 3.92Å; L510-Y716 HydrophobicContact CD2-CG 3.46Å; L510-Y716 VanDerWaalsContact CD2-CG 3.46Å; L510-Y716 HydrophobicContact CG-CD2 3.71Å; L510-Y716 HydrophobicContact CG-CE2 3.88Å; L510-Y716 HydrophobicContact CG-CG 4.24Å; Y716-G718 VanDerWaalsContact CZ-C 3.49Å; Y716-G718 VanDerWaalsContact CZ-CA 3.41Å; Y716-K719 VanDerWaalsContact CE1-O 3.23Å; Y716-K719 WeakPolarHBondContact CE1-O 3.28Å; Y716-K719 PolarHBondContact OH-N 3.36Å; Y716-K719 PolarHBondContact OH-O 3.01Å; Y716-L721 HydrophobicContact CE1-CD1 4.43Å; Y716-L721 HydrophobicContact CE1-CD2 4.04Å; Y716-L721 HydrophobicContact CE1-CG 4.03Å; Y716-L721 VanDerWaalsContact OH-CD2 3.24Å; Y716-L721 WeakPolarHBondContact OH-CD2 3.46Å |
| 717 | M | 57.2 | Low | 63.6 | Low | 36 Ų | 36 | 57.2 Ų | 57.2 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | trans | -103.2 | 4.2 | 173.5 | -65.7 | -174.7 | 66.2 | 0 | 0 | 112.7 | F469 S679 I715 | F469-M717 HydrophobicContact CD2-CE 3.96Å; F469-M717 HydrophobicContact CE2-CE 4.06Å; F469-M717 HydrophobicContact CG-CE 4.4Å; F469-M717 HydrophobicContact CZ-CE 4.44Å; S679-M717 WeakPolarHBondContact CB-SD 3.46Å; S679-M717 PolarHBondContact OG-SD 3.5Å; I715-M717 HydrophobicContact CG2-CG 4.25Å | ||
| 718 | G | 55.4 | Low | 62.8 | Low | 19 Ų | 19 | 52.1 Ų | 52.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -73.3 | -173.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E634 Y716 | E634-G718 WeakPolarHBondContact OE2-CA 3.5Å; Y716-G718 VanDerWaalsContact CZ-C 3.49Å; Y716-G718 VanDerWaalsContact CZ-CA 3.41Å |
| 719 | K | 52 | Low | 62 | Low | 169 Ų | 169 | 55.7 Ų | 55.7 | 74% | 0.735 | 30% | 0.295 | S | S | * | . | trans | -64.4 | 147.6 | -177.7 | -65.2 | 171.9 | -173.9 | 157.2 | 0 | 111.8 | Y716 L721 | Y716-K719 VanDerWaalsContact CE1-O 3.23Å; Y716-K719 WeakPolarHBondContact CE1-O 3.28Å; Y716-K719 PolarHBondContact OH-N 3.36Å; Y716-K719 PolarHBondContact OH-O 3.01Å; K719-L721 PolarHBondContact O-N 3.24Å | ||
| 720 | I | 54.3 | Low | 60.5 | Low | 58 Ų | 58 | 46.2 Ų | 46.2 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | trans | -56.1 | 130.1 | 171.8 | -56.7 | 173.6 | 0 | 0 | 0 | 109 | M485 V540 Y722 | M485-I720 HydrophobicContact CE-CG1 4.24Å; M485-I720 HydrophobicContact CE-CG2 4.46Å; V540-I720 HydrophobicContact CG1-CG2 4.38Å; V540-I720 HydrophobicContact CG2-CG2 4.14Å; I720-Y722 HydrophobicContact CB-CD2 4.17Å; I720-Y722 HydrophobicContact CB-CE1 4.21Å; I720-Y722 HydrophobicContact CB-CE2 3.67Å; I720-Y722 HydrophobicContact CD1-CE2 4.47Å; I720-Y722 WeakPolarHBondContact CD1-OH 2.98Å; I720-Y722 HydrophobicContact CG2-CD1 3.84Å; I720-Y722 HydrophobicContact CG2-CD2 4.19Å; I720-Y722 HydrophobicContact CG2-CE1 3.39Å; I720-Y722 HydrophobicContact CG2-CE2 3.8Å; I720-Y722 HydrophobicContact CG2-CG 4.23Å; I720-Y722 PolarHBondContact O-N 3.36Å | ||
| 721 | L | 58.1 | Low | 59 | Low | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | trans | -81.4 | 61.4 | -168.7 | -61 | -178.9 | 0 | 0 | 0 | 111.6 | I483 L510 S513 A533 S534 L535 Y716 K719 | I483-L721 HydrophobicContact CD1-CD1 3.42Å; I483-L721 VanDerWaalsContact CD1-CD1 3.42Å; L510-L721 HydrophobicContact CD1-CD1 4.13Å; L510-L721 HydrophobicContact CD2-CD1 4.22Å; S513-L721 VanDerWaalsContact CA-CD2 3.45Å; S513-L721 WeakPolarHBondContact OG-CD2 3.25Å; A533-L721 HydrophobicContact CB-CD1 4.02Å; S534-L721 CarbonylContact C-O 3.36Å; S534-L721 WeakPolarHBondContact CA-O 3.21Å; L535-L721 PolarHBondContact N-O 3.4Å; Y716-L721 HydrophobicContact CE1-CD1 4.43Å; Y716-L721 HydrophobicContact CE1-CD2 4.04Å; Y716-L721 HydrophobicContact CE1-CG 4.03Å; Y716-L721 VanDerWaalsContact OH-CD2 3.24Å; Y716-L721 WeakPolarHBondContact OH-CD2 3.46Å; K719-L721 PolarHBondContact O-N 3.24Å | ||
| 722 | Y | 57.5 | Low | 57.1 | Low | 40 Ų | 40 | 49 Ų | 49 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 151 | -177.4 | -60.9 | -61.4 | 0 | 0 | 0 | 113.1 | L535 Y537 V540 I720 I730 | L535-Y722 WeakPolarHBondContact O-CA 3.18Å; Y537-Y722 HydrophobicContact CD2-CD1 4.46Å; Y537-Y722 AromaticContact CD2-CE1 3.86Å; Y537-Y722 HydrophobicContact CD2-CE1 3.86Å; V540-Y722 HydrophobicContact CB-CE1 4.11Å; V540-Y722 HydrophobicContact CG1-CE1 4.18Å; V540-Y722 HydrophobicContact CG2-CE1 4.02Å; I720-Y722 HydrophobicContact CB-CD2 4.17Å; I720-Y722 HydrophobicContact CB-CE1 4.21Å; I720-Y722 HydrophobicContact CB-CE2 3.67Å; I720-Y722 HydrophobicContact CD1-CE2 4.47Å; I720-Y722 WeakPolarHBondContact CD1-OH 2.98Å; I720-Y722 HydrophobicContact CG2-CD1 3.84Å; I720-Y722 HydrophobicContact CG2-CD2 4.19Å; I720-Y722 HydrophobicContact CG2-CE1 3.39Å; I720-Y722 HydrophobicContact CG2-CE2 3.8Å; I720-Y722 HydrophobicContact CG2-CG 4.23Å; I720-Y722 PolarHBondContact O-N 3.36Å; Y722-I730 VanDerWaalsContact CB-CD1 3.47Å; Y722-I730 HydrophobicContact CD1-CD1 3.31Å; Y722-I730 HydrophobicContact CD2-CD1 3.54Å; Y722-I730 HydrophobicContact CD2-CG2 4.45Å; Y722-I730 HydrophobicContact CE1-CD1 3.79Å; Y722-I730 HydrophobicContact CE2-CD1 3.98Å; Y722-I730 HydrophobicContact CE2-CG2 4.05Å; Y722-I730 HydrophobicContact CG-CD1 3.14Å |
| 723 | T | 57.1 | Low | 55.1 | Low | 20 Ų | 20 | 49.1 Ų | 49.1 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -60.9 | 142.3 | 171.2 | 71.5 | 0 | 0 | 0 | 0 | 110.4 | L535 E536 T725 E726 V727 | L535-T723 PolarHBondContact O-N 3.46Å; E536-T723 HydrophobicContact CG-CG2 3.91Å; T723-T725 PolarHBondContact O-N 3.06Å; T723-T725 VanDerWaalsContact O-N 3.13Å; T723-T725 PolarHBondContact OG1-OG1 2.87Å; T723-E726 PolarHBondContact O-N 3.1Å; T723-E726 WeakPolarHBondContact OG1-CB 3.35Å; T723-E726 WeakPolarHBondContact OG1-CG 3.27Å; T723-E726 PolarHBondContact OG1-N 3.28Å; T723-E726 PolarHBondContact OG1-OE2 3.33Å; T723-V727 WeakPolarHBondContact O-CG2 3.31Å; T723-V727 PolarHBondContact O-N 3.42Å | ||
| 724 | A | 55.9 | Low | 52.9 | Low | 69 Ų | 69 | 53.9 Ų | 53.9 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 725 | T | 57.8 | Low | 51.1 | Low | 126 Ų | 126 | 56.6 Ų | 56.6 | 77% | 0.773 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.4 | 175.7 | 39.3 | 0 | 0 | 0 | 0 | 112.3 | T723 | T723-T725 PolarHBondContact O-N 3.06Å; T723-T725 VanDerWaalsContact O-N 3.13Å; T723-T725 PolarHBondContact OG1-OG1 2.87Å |
| 726 | E | 49.9 | Very low | 49.2 | Very low | 30 Ų | 30 | 60.5 Ų | 60.5 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -87 | -26.1 | -178.8 | -66.5 | 170.1 | 133.3 | 0 | 0 | 112.9 | E536 Y537 T723 A728 Y729 I730 | E536-E726 VanDerWaalsContact CA-OE2 3.25Å; E536-E726 WeakPolarHBondContact CA-OE2 3.25Å; Y537-E726 VanDerWaalsContact N-CD 3.27Å; Y537-E726 PolarHBondContact N-OE1 3.27Å; Y537-E726 VanDerWaalsContact N-OE1 3.1Å; Y537-E726 PolarHBondContact N-OE2 3.11Å; T723-E726 PolarHBondContact O-N 3.1Å; T723-E726 WeakPolarHBondContact OG1-CB 3.35Å; T723-E726 WeakPolarHBondContact OG1-CG 3.27Å; T723-E726 PolarHBondContact OG1-N 3.28Å; T723-E726 PolarHBondContact OG1-OE2 3.33Å; E726-A728 CarbonylContact O-C 3.47Å; E726-A728 PolarHBondContact O-N 3.49Å; E726-Y729 CarbonylContact O-C 3.59Å; E726-Y729 WeakPolarHBondContact O-CA 3.23Å; E726-Y729 WeakPolarHBondContact O-CB 3.29Å; E726-Y729 PolarHBondContact O-N 3.15Å; E726-I730 HydrophobicContact CB-CD1 3.87Å; E726-I730 HydrophobicContact CB-CG1 4.1Å; E726-I730 VanDerWaalsContact O-CG1 3.23Å; E726-I730 WeakPolarHBondContact O-CG1 3.3Å; E726-I730 PolarHBondContact O-N 2.88Å |
| 727 | V | 48.6 | Very low | 47.4 | Very low | 60 Ų | 60 | 61.9 Ų | 61.9 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -48 | -38.7 | -179.6 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | T723 L731 | T723-V727 WeakPolarHBondContact O-CG2 3.31Å; T723-V727 PolarHBondContact O-N 3.42Å; V727-L731 HydrophobicContact CG1-CD1 3.9Å; V727-L731 HydrophobicContact CG1-CG 4.49Å; V727-L731 VanDerWaalsContact O-CB 3.31Å; V727-L731 WeakPolarHBondContact O-CB 3.47Å; V727-L731 WeakPolarHBondContact O-CD1 3.41Å; V727-L731 WeakPolarHBondContact O-CG 3.36Å; V727-L731 PolarHBondContact O-N 3.42Å |
| 728 | A | 47.9 | Very low | 46.2 | Very low | 76 Ų | 76 | 64.2 Ų | 64.2 | 63% | 0.628 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E726 G732 | E726-A728 CarbonylContact O-C 3.47Å; E726-A728 PolarHBondContact O-N 3.49Å; A728-G732 PolarHBondContact O-N 3.39Å |
| 729 | Y | 45.7 | Very low | 45.2 | Very low | 153 Ų | 153 | 66.1 Ų | 66.1 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 175.7 | 175.9 | -101.6 | 0 | 0 | 0 | 111.8 | Y537 E726 G732 S733 | Y537-Y729 HydrophobicContact CD1-CE1 4.28Å; Y537-Y729 HydrophobicContact CE1-CE1 4.32Å; E726-Y729 CarbonylContact O-C 3.59Å; E726-Y729 WeakPolarHBondContact O-CA 3.23Å; E726-Y729 WeakPolarHBondContact O-CB 3.29Å; E726-Y729 PolarHBondContact O-N 3.15Å; Y729-G732 CarbonylContact O-C 3.47Å; Y729-G732 VanDerWaalsContact O-CA 3.29Å; Y729-G732 WeakPolarHBondContact O-CA 3.16Å; Y729-G732 PolarHBondContact O-N 3.49Å; Y729-S733 PolarHBondContact O-N 2.98Å; Y729-S733 PolarHBondContact O-OG 2.71Å |
| 730 | I | 40.6 | Very low | 44.2 | Very low | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66 | -44.3 | -179.9 | -57.7 | 167 | 0 | 0 | 0 | 111.1 | Y537 Y722 E726 G732 S733 E734 | Y537-I730 HydrophobicContact CD1-CG1 4.35Å; Y537-I730 HydrophobicContact CD2-CB 4.23Å; Y537-I730 HydrophobicContact CD2-CD1 3.66Å; Y537-I730 HydrophobicContact CD2-CG1 3.42Å; Y537-I730 VanDerWaalsContact CD2-CG1 3.42Å; Y537-I730 HydrophobicContact CD2-CG2 3.86Å; Y537-I730 HydrophobicContact CE2-CG1 4.12Å; Y537-I730 HydrophobicContact CE2-CG2 3.89Å; Y537-I730 HydrophobicContact CG-CD1 3.86Å; Y537-I730 HydrophobicContact CG-CG1 3.53Å; Y722-I730 VanDerWaalsContact CB-CD1 3.47Å; Y722-I730 HydrophobicContact CD1-CD1 3.31Å; Y722-I730 HydrophobicContact CD2-CD1 3.54Å; Y722-I730 HydrophobicContact CD2-CG2 4.45Å; Y722-I730 HydrophobicContact CE1-CD1 3.79Å; Y722-I730 HydrophobicContact CE2-CD1 3.98Å; Y722-I730 HydrophobicContact CE2-CG2 4.05Å; Y722-I730 HydrophobicContact CG-CD1 3.14Å; E726-I730 HydrophobicContact CB-CD1 3.87Å; E726-I730 HydrophobicContact CB-CG1 4.1Å; E726-I730 VanDerWaalsContact O-CG1 3.23Å; E726-I730 WeakPolarHBondContact O-CG1 3.3Å; E726-I730 PolarHBondContact O-N 2.88Å; I730-G732 PolarHBondContact O-N 3.05Å; I730-S733 WeakPolarHBondContact CA-OG 3.45Å; I730-S733 PolarHBondContact O-N 3.44Å; I730-S733 VanDerWaalsContact O-N 3.15Å; I730-S733 PolarHBondContact O-OG 3.17Å; I730-E734 HydrophobicContact CG2-CG 4.02Å; I730-E734 WeakPolarHBondContact O-CB 3.48Å; I730-E734 WeakPolarHBondContact O-CG 3.4Å; I730-E734 PolarHBondContact O-N 3.16Å |
| 731 | L | 43.3 | Very low | 43 | Very low | 104 Ų | 104 | 71.8 Ų | 71.8 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.1 | -35 | 172.8 | -75.2 | 168 | 0 | 0 | 0 | 110.2 | V727 I735 | V727-L731 HydrophobicContact CG1-CD1 3.9Å; V727-L731 HydrophobicContact CG1-CG 4.49Å; V727-L731 VanDerWaalsContact O-CB 3.31Å; V727-L731 WeakPolarHBondContact O-CB 3.47Å; V727-L731 WeakPolarHBondContact O-CD1 3.41Å; V727-L731 WeakPolarHBondContact O-CG 3.36Å; V727-L731 PolarHBondContact O-N 3.42Å; L731-I735 WeakPolarHBondContact O-CD1 3.37Å; L731-I735 WeakPolarHBondContact O-CG1 3.2Å |
| 732 | G | 38.5 | Very low | 41.8 | Very low | 27 Ų | 27 | 74.8 Ų | 74.8 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.7 | -45.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | A728 Y729 I730 I735 D736 | A728-G732 PolarHBondContact O-N 3.39Å; Y729-G732 CarbonylContact O-C 3.47Å; Y729-G732 VanDerWaalsContact O-CA 3.29Å; Y729-G732 WeakPolarHBondContact O-CA 3.16Å; Y729-G732 PolarHBondContact O-N 3.49Å; I730-G732 PolarHBondContact O-N 3.05Å; G732-I735 WeakPolarHBondContact O-CB 3.43Å; G732-I735 PolarHBondContact O-N 3.2Å; G732-D736 VanDerWaalsContact O-CG 3.29Å; G732-D736 PolarHBondContact O-N 2.91Å |
| 733 | S | 38 | Very low | 40.6 | Very low | 13 Ų | 13 | 75 Ų | 75 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -77.4 | -29.3 | -174.3 | 69.9 | 0 | 0 | 0 | 0 | 113 | Y729 I730 I735 D736 A737 | Y729-S733 PolarHBondContact O-N 2.98Å; Y729-S733 PolarHBondContact O-OG 2.71Å; I730-S733 WeakPolarHBondContact CA-OG 3.45Å; I730-S733 PolarHBondContact O-N 3.44Å; I730-S733 VanDerWaalsContact O-N 3.15Å; I730-S733 PolarHBondContact O-OG 3.17Å; S733-I735 VanDerWaalsContact C-N 3.32Å; S733-D736 CarbonylContact O-C 3.57Å; S733-D736 PolarHBondContact O-N 2.75Å; S733-A737 WeakPolarHBondContact O-CA 3.42Å; S733-A737 WeakPolarHBondContact O-CB 3.12Å; S733-A737 PolarHBondContact O-N 2.99Å |
| 734 | E | 34.8 | Very low | 39.2 | Very low | 100 Ų | 100 | 79.4 Ų | 79.4 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 168.6 | -77.5 | -174.5 | 165.8 | 0 | 0 | 110.6 | I730 V738 | I730-E734 HydrophobicContact CG2-CG 4.02Å; I730-E734 WeakPolarHBondContact O-CB 3.48Å; I730-E734 WeakPolarHBondContact O-CG 3.4Å; I730-E734 PolarHBondContact O-N 3.16Å; E734-V738 VanDerWaalsContact O-CG2 3.23Å; E734-V738 WeakPolarHBondContact O-CG2 3.34Å; E734-V738 PolarHBondContact O-N 2.86Å; E734-V738 VanDerWaalsContact O-N 3.17Å |
| 735 | I | 37.7 | Very low | 37.9 | Very low | 56 Ų | 56 | 82.3 Ų | 82.3 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -53.3 | 170.2 | -63.6 | 159.7 | 0 | 0 | 0 | 108.7 | W371 Q427 L731 G732 S733 A737 V738 E739 | W371-I735 HydrophobicContact CH2-CD1 3.5Å; W371-I735 VanDerWaalsContact CH2-CD1 3.5Å; W371-I735 HydrophobicContact CH2-CG1 4.11Å; W371-I735 HydrophobicContact CZ2-CD1 4.34Å; W371-I735 HydrophobicContact CZ3-CD1 4.28Å; W371-I735 HydrophobicContact CZ3-CG1 4.42Å; Q427-I735 PolarHBondContact NE2-O 2.72Å; L731-I735 WeakPolarHBondContact O-CD1 3.37Å; L731-I735 WeakPolarHBondContact O-CG1 3.2Å; G732-I735 WeakPolarHBondContact O-CB 3.43Å; G732-I735 PolarHBondContact O-N 3.2Å; S733-I735 VanDerWaalsContact C-N 3.32Å; I735-A737 PolarHBondContact O-N 3.12Å; I735-V738 PolarHBondContact O-N 2.95Å; I735-E739 WeakPolarHBondContact O-CG 3.33Å; I735-E739 PolarHBondContact O-N 2.82Å; I735-E739 VanDerWaalsContact O-N 3.12Å |
| 736 | D | 34.3 | Very low | 36.4 | Very low | 95 Ų | 95 | 80.9 Ų | 80.9 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.3 | -32.5 | -177.4 | -65.8 | -13.3 | 0 | 0 | 0 | 113.5 | G732 S733 E739 K740 | G732-D736 VanDerWaalsContact O-CG 3.29Å; G732-D736 PolarHBondContact O-N 2.91Å; S733-D736 CarbonylContact O-C 3.57Å; S733-D736 PolarHBondContact O-N 2.75Å; D736-E739 CarbonylContact O-C 3.45Å; D736-E739 WeakPolarHBondContact O-CA 3.37Å; D736-E739 VanDerWaalsContact O-CB 3.24Å; D736-E739 WeakPolarHBondContact O-CB 3.43Å; D736-E739 PolarHBondContact O-N 2.83Å; D736-E739 VanDerWaalsContact O-N 3.12Å; D736-K740 WeakPolarHBondContact O-CB 3.12Å; D736-K740 PolarHBondContact O-N 2.7Å |
| 737 | A | 30.7 | Very low | 35.3 | Very low | 41 Ų | 41 | 83.7 Ų | 83.7 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.8 | -32 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S733 I735 E739 K740 R741 | S733-A737 WeakPolarHBondContact O-CA 3.42Å; S733-A737 WeakPolarHBondContact O-CB 3.12Å; S733-A737 PolarHBondContact O-N 2.99Å; I735-A737 PolarHBondContact O-N 3.12Å; A737-E739 VanDerWaalsContact C-N 3.27Å; A737-K740 PolarHBondContact O-N 2.99Å; A737-R741 WeakPolarHBondContact O-CB 3.39Å; A737-R741 PolarHBondContact O-N 3.43Å |
| 738 | V | 32.5 | Very low | 34.1 | Very low | 86 Ų | 86 | 86.7 Ų | 86.7 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 166.6 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | Q427 E734 I735 | Q427-V738 HydrophobicContact CG-CG1 4.21Å; E734-V738 VanDerWaalsContact O-CG2 3.23Å; E734-V738 WeakPolarHBondContact O-CG2 3.34Å; E734-V738 PolarHBondContact O-N 2.86Å; E734-V738 VanDerWaalsContact O-N 3.17Å; I735-V738 PolarHBondContact O-N 2.95Å |
| 739 | E | 34.8 | Very low | 33 | Very low | 58 Ų | 58 | 88.5 Ų | 88.5 | 27% | 0.271 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 170 | -57.5 | -156.5 | 153.9 | 0 | 0 | 112.3 | N426 Q427 I735 D736 A737 M742 | N426-E739 CarbonylContact O-C 3.6Å; N426-E739 VanDerWaalsContact O-C 3.27Å; N426-E739 WeakPolarHBondContact O-CA 3.46Å; N426-E739 WeakPolarHBondContact O-CB 3.48Å; Q427-E739 HydrophobicContact CB-CB 4.4Å; Q427-E739 HydrophobicContact CB-CG 3.72Å; Q427-E739 HydrophobicContact CG-CB 4.27Å; Q427-E739 HydrophobicContact CG-CG 3.54Å; Q427-E739 PolarHBondContact OE1-OE1 3.35Å; I735-E739 WeakPolarHBondContact O-CG 3.33Å; I735-E739 PolarHBondContact O-N 2.82Å; I735-E739 VanDerWaalsContact O-N 3.12Å; D736-E739 CarbonylContact O-C 3.45Å; D736-E739 WeakPolarHBondContact O-CA 3.37Å; D736-E739 VanDerWaalsContact O-CB 3.24Å; D736-E739 WeakPolarHBondContact O-CB 3.43Å; D736-E739 PolarHBondContact O-N 2.83Å; D736-E739 VanDerWaalsContact O-N 3.12Å; A737-E739 VanDerWaalsContact C-N 3.27Å; E739-M742 WeakPolarHBondContact O-CB 3.2Å; E739-M742 PolarHBondContact O-N 3.32Å |
| 740 | K | 30.9 | Very low | 32.1 | Very low | 148 Ų | 148 | 90.9 Ų | 90.9 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.6 | -39.2 | -173.7 | -119.7 | 178.6 | -178.9 | 177 | 0 | 113.7 | D736 A737 M742 N743 D744 | D736-K740 WeakPolarHBondContact O-CB 3.12Å; D736-K740 PolarHBondContact O-N 2.7Å; A737-K740 PolarHBondContact O-N 2.99Å; K740-M742 PolarHBondContact O-N 3.08Å; K740-N743 WeakPolarHBondContact O-CA 3.19Å; K740-N743 VanDerWaalsContact O-CB 3.3Å; K740-N743 WeakPolarHBondContact O-CB 3.27Å; K740-N743 PolarHBondContact O-N 3.5Å; K740-D744 PolarHBondContact O-N 2.98Å |
| 741 | R | 28.5 | Very low | 31.6 | Very low | 198 Ų | 198 | 95.7 Ų | 95.7 | 75% | 0.747 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -18.7 | 177.3 | -83.2 | -172.6 | -172.6 | 169.5 | 5.4 | 113.5 | A737 N743 | A737-R741 WeakPolarHBondContact O-CB 3.39Å; A737-R741 PolarHBondContact O-N 3.43Å; R741-N743 VanDerWaalsContact C-N 3.29Å |
| 742 | M | 32.1 | Very low | 31.1 | Very low | 66 Ų | 66 | 97.5 Ų | 97.5 | 33% | 0.325 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -24.6 | 168.3 | -80.3 | -177.4 | 54.4 | 0 | 0 | 113.1 | N426 Q427 S428 E739 K740 | N426-M742 HydrophobicContact CB-CB 3.46Å; N426-M742 VanDerWaalsContact CB-CB 3.46Å; N426-M742 HydrophobicContact CB-CE 3.75Å; N426-M742 HydrophobicContact CB-SD 4.36Å; N426-M742 PolarHBondContact ND2-O 3.14Å; Q427-M742 VanDerWaalsContact CA-SD 3.52Å; Q427-M742 HydrophobicContact CG-SD 4.49Å; S428-M742 PolarHBondContact N-SD 3.29Å; S428-M742 WeakPolarHBondContact OG-CE 3.45Å; S428-M742 PolarHBondContact OG-SD 2.79Å; E739-M742 WeakPolarHBondContact O-CB 3.2Å; E739-M742 PolarHBondContact O-N 3.32Å; K740-M742 PolarHBondContact O-N 3.08Å |
| 743 | N | 33.6 | Very low | 30.9 | Very low | 45 Ų | 45 | 101.1 Ų | 101.1 | 24% | 0.241 | 57% | 0.569 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | -39.1 | 180 | -73.4 | -38.1 | 0 | 0 | 0 | 113.7 | N424 N426 K740 R741 | N424-N743 PolarHBondContact ND2-ND2 3.43Å; N424-N743 PolarHBondContact ND2-OD1 3.41Å; N424-N743 PolarHBondContact OD1-OD1 3.16Å; N426-N743 WeakPolarHBondContact CB-OD1 3.13Å; N426-N743 WeakPolarHBondContact ND2-CA 3.46Å; N426-N743 PolarHBondContact ND2-N 3.28Å; N426-N743 PolarHBondContact ND2-OD1 3.46Å; K740-N743 WeakPolarHBondContact O-CA 3.19Å; K740-N743 VanDerWaalsContact O-CB 3.3Å; K740-N743 WeakPolarHBondContact O-CB 3.27Å; K740-N743 PolarHBondContact O-N 3.5Å; R741-N743 VanDerWaalsContact C-N 3.29Å |
| 744 | D | 27.9 | Very low | 30.7 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -117.2 | 125.2 | -167.5 | -64.1 | -31.4 | 0 | 0 | 0 | 111.6 | K740 | K740-D744 PolarHBondContact O-N 2.98Š|
| 745 | T | 27.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 112.6 Ų | 112.6 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | 87.2 | 99.5 | 178 | 71 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 746 | A | 26.8 | Very low | 30.8 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 79% | 0.793 | 63% | 0.626 | S | S | * | * | cis | 51 | 81.2 | 35.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 747 | A | 25.6 | Very low | 31 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | trans | 68.4 | 133.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 748 | V | 23.9 | Very low | 31.1 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | -176.7 | 123.3 | 60.9 | 157 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 749 | T | 25.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | 63.3 | 132.8 | 142.6 | 63.4 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 750 | K | 25.9 | Very low | 31.7 | Very low | 203 Ų | 203 | 125.6 Ų | 125.6 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | trans | 84.3 | 91 | 135.8 | -76.6 | 168.5 | -176.1 | -175.2 | 0 | 118.9 | ||||
| 751 | A | 31 | Very low | 32.2 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 87% | 0.868 | 66% | 0.655 | S | S | * | * | trans | -109.5 | 142.7 | 157 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 752 | I | 32.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 118.8 Ų | 118.8 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | trans | -68.1 | 147.7 | -169.3 | -65.7 | 166.4 | 0 | 0 | 0 | 112 | D756 | I752-D756 HydrophobicContact CG2-CB 4.45Š| ||
| 753 | P | 33.9 | Very low | 32.7 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | trans | -71.9 | 144.1 | -179 | 26 | -33.8 | 0 | 0 | 0 | 115.5 | R755 D756 | P753-R755 VanDerWaalsContact C-N 3.29Å; P753-R755 PolarHBondContact O-N 3.5Å; P753-D756 PolarHBondContact O-N 3.11Å | ||
| 754 | K | 35.2 | Very low | 32.4 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.5 | -23.5 | -168.6 | -160.1 | -178.4 | -175 | -125.8 | 0 | 118.5 | D756 F757 E758 | K754-D756 PolarHBondContact O-N 2.82Å; K754-F757 CarbonylContact O-C 3.58Å; K754-F757 WeakPolarHBondContact O-CB 3.4Å; K754-F757 PolarHBondContact O-N 2.95Å; K754-F757 VanDerWaalsContact O-N 3.14Å; K754-E758 WeakPolarHBondContact CD-OE1 3.41Å; K754-E758 WeakPolarHBondContact CE-OE1 2.9Å; K754-E758 HydrophobicContact CG-CG 4.22Å; K754-E758 IonicContact NZ-OE1 3.48Å; K754-E758 PolarHBondContact NZ-OE1 2.7Å; K754-E758 WeakPolarHBondContact O-CG 3.43Å; K754-E758 PolarHBondContact O-N 2.95Å |
| 755 | R | 36.3 | Very low | 32.5 | Very low | 211 Ų | 211 | 127.7 Ų | 127.7 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -69.5 | -33.8 | -177.1 | -114.6 | -178.5 | -178.7 | -179.5 | -1.3 | 113.1 | P753 F757 K759 | P753-R755 VanDerWaalsContact C-N 3.29Å; P753-R755 PolarHBondContact O-N 3.5Å; R755-F757 VanDerWaalsContact C-N 3.25Å; R755-K759 PolarHBondContact O-N 3.37Å |
| 756 | D | 38.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 127 Ų | 127 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.4 | -21 | 174.9 | -61.5 | -27.5 | 0 | 0 | 0 | 111 | I752 P753 K754 A760 | I752-D756 HydrophobicContact CG2-CB 4.45Å; P753-D756 PolarHBondContact O-N 3.11Å; K754-D756 PolarHBondContact O-N 2.82Å; D756-A760 WeakPolarHBondContact O-CB 3.08Å |
| 757 | F | 37.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 63% | 0.632 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -80.2 | -39.2 | 172.4 | -168.4 | -95.4 | 0 | 0 | 0 | 112.2 | K754 R755 K759 A760 A761 | K754-F757 CarbonylContact O-C 3.58Å; K754-F757 WeakPolarHBondContact O-CB 3.4Å; K754-F757 PolarHBondContact O-N 2.95Å; K754-F757 VanDerWaalsContact O-N 3.14Å; R755-F757 VanDerWaalsContact C-N 3.25Å; F757-K759 VanDerWaalsContact C-N 3.33Å; F757-K759 PolarHBondContact O-N 3.43Å; F757-A760 CarbonylContact O-C 3.56Å; F757-A760 PolarHBondContact O-N 3.39Å; F757-A761 HydrophobicContact CD1-CB 4.27Å; F757-A761 HydrophobicContact CE1-CB 4.02Å; F757-A761 VanDerWaalsContact O-CB 3.27Å; F757-A761 WeakPolarHBondContact O-CB 3.48Å; F757-A761 PolarHBondContact O-N 3.2Å |
| 758 | E | 33.7 | Very low | 32.1 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 37% | 0.374 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -67.7 | -32.4 | 179.9 | -75.8 | 171.1 | 173.9 | 0 | 0 | 112.5 | K754 A760 F762 | K754-E758 WeakPolarHBondContact CD-OE1 3.41Å; K754-E758 WeakPolarHBondContact CE-OE1 2.9Å; K754-E758 HydrophobicContact CG-CG 4.22Å; K754-E758 IonicContact NZ-OE1 3.48Å; K754-E758 PolarHBondContact NZ-OE1 2.7Å; K754-E758 WeakPolarHBondContact O-CG 3.43Å; K754-E758 PolarHBondContact O-N 2.95Å; E758-A760 VanDerWaalsContact C-N 3.35Å; E758-F762 PolarHBondContact O-N 3.07Å |
| 759 | K | 36.9 | Very low | 32.1 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -75.6 | -24.7 | 173.7 | -142.8 | -177.8 | -175.2 | -170.3 | 0 | 113.1 | R755 F757 | R755-K759 PolarHBondContact O-N 3.37Å; F757-K759 VanDerWaalsContact C-N 3.33Å; F757-K759 PolarHBondContact O-N 3.43Å |
| 760 | A | 43.4 | Very low | 32 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -87.9 | -26.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | D756 F757 E758 | D756-A760 WeakPolarHBondContact O-CB 3.08Å; F757-A760 CarbonylContact O-C 3.56Å; F757-A760 PolarHBondContact O-N 3.39Å; E758-A760 VanDerWaalsContact C-N 3.35Å |
| 761 | A | 41.3 | Very low | 31.8 | Very low | 44 Ų | 44 | 135.3 Ų | 135.3 | 36% | 0.364 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -94.4 | -28.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F757 | F757-A761 HydrophobicContact CD1-CB 4.27Å; F757-A761 HydrophobicContact CE1-CB 4.02Å; F757-A761 VanDerWaalsContact O-CB 3.27Å; F757-A761 WeakPolarHBondContact O-CB 3.48Å; F757-A761 PolarHBondContact O-N 3.2Å |
| 762 | F | 35.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | trans | -138.4 | 52.3 | -171 | -58.3 | -71.7 | 0 | 0 | 0 | 112.5 | E758 E764 | E758-F762 PolarHBondContact O-N 3.07Å; F762-E764 PolarHBondContact O-N 2.78Å | ||
| 763 | G | 33.8 | Very low | 31.2 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | trans | -63 | 73.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 764 | E | 28.2 | Very low | 30.9 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | trans | 59.8 | 117.7 | 158.3 | -71.4 | 178.9 | 169.1 | 0 | 0 | 119.5 | F762 | F762-E764 PolarHBondContact O-N 2.78Š| ||
| 765 | E | 28.9 | Very low | 30.4 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | 59.5 | 112.9 | 128.8 | -60.3 | -166.2 | 166 | 0 | 0 | 119.4 | |||||
| 766 | S | 25.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | 100 | 118.7 | 145.6 | 79 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 767 | E | 23.3 | Very low | 29.8 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -152 | 94.3 | 135.1 | -113.9 | 177.3 | -163.6 | 0 | 0 | 109.3 | I769 | E767-I769 PolarHBondContact O-N 3.21Š| ||
| 768 | I | 23.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | trans | -82.3 | 106.5 | 157.4 | -67.2 | 179.1 | 0 | 0 | 0 | 107.1 | ||||
| 769 | I | 22.6 | Very low | 29.7 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -49.5 | 133.1 | 167.1 | -65.6 | 161.7 | 0 | 0 | 0 | 112 | E767 | E767-I769 PolarHBondContact O-N 3.21Š| ||
| 770 | G | 25 | Very low | 30 | Very low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 85.6 | 89.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | P772 | G770-P772 VanDerWaalsContact O-CD 3.3Å; G770-P772 WeakPolarHBondContact O-CD 3.11Å | ||
| 771 | R | 22 | Very low | 30.3 | Very low | 244 Ų | 244 | 152.5 Ų | 152.5 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -71.5 | 117.4 | 157.1 | -84.2 | -178.1 | -177.8 | 173.6 | 2 | 110 | ||||
| 772 | P | 24.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 157 Ų | 157 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 137 | 154 | 11.5 | 7.2 | 0 | 0 | 0 | 108.5 | G770 I774 | G770-P772 VanDerWaalsContact O-CD 3.3Å; G770-P772 WeakPolarHBondContact O-CD 3.11Å; P772-I774 PolarHBondContact O-N 2.71Å; P772-I774 VanDerWaalsContact O-N 3.15Å | ||
| 773 | E | 24.9 | Very low | 31.1 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -47.6 | 114.2 | -179.1 | -65.5 | 174.7 | 150.5 | 0 | 0 | 112.6 | R775 | E773-R775 PolarHBondContact O-N 3.24Š| ||
| 774 | I | 27.6 | Very low | 32 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 70% | 0.703 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 95 | 176.5 | -57.4 | 172.6 | 0 | 0 | 0 | 107.7 | P772 T776 | P772-I774 PolarHBondContact O-N 2.71Å; P772-I774 VanDerWaalsContact O-N 3.15Å; I774-T776 HydrophobicContact CG2-CG2 3.77Å; I774-T776 PolarHBondContact O-N 2.8Å; I774-T776 VanDerWaalsContact O-N 3.15Å | ||
| 775 | R | 25.8 | Very low | 33.4 | Very low | 236 Ų | 236 | 151.8 Ų | 151.8 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -65.8 | 105.4 | 152.3 | -82.1 | -173.8 | 176.8 | -173.3 | -0.3 | 107.2 | E773 E777 | E773-R775 PolarHBondContact O-N 3.24Å; R775-E777 PolarHBondContact O-N 2.87Å | ||
| 776 | T | 31.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 69.4 | 179.7 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | I774 R778 | I774-T776 HydrophobicContact CG2-CG2 3.77Å; I774-T776 PolarHBondContact O-N 2.8Å; I774-T776 VanDerWaalsContact O-N 3.15Å; T776-R778 PolarHBondContact O-N 3.23Å | ||
| 777 | E | 29.7 | Very low | 37 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -76.5 | 108 | 157 | -77.8 | -169.8 | 173.8 | 0 | 0 | 108.4 | R775 C779 | R775-E777 PolarHBondContact O-N 2.87Å; E777-C779 PolarHBondContact O-N 3.19Å; E777-C779 VanDerWaalsContact O-N 3.14Å | ||
| 778 | R | 30.3 | Very low | 39.1 | Very low | 242 Ų | 242 | 147.5 Ų | 147.5 | 91% | 0.913 | 73% | 0.728 | S | S | * | * | trans | -53.7 | 116.8 | -178.5 | -70.3 | 178.8 | 177.9 | 176.7 | -1 | 110.4 | T776 R780 | T776-R778 PolarHBondContact O-N 3.23Å; R778-R780 PolarHBondContact O-N 2.81Å | ||
| 779 | C | 37.6 | Very low | 41.4 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 70% | 0.703 | 71% | 0.706 | S | S | * | * | trans | -48 | 117.8 | -179.3 | -78.6 | 0 | 0 | 0 | 0 | 113.1 | E777 L781 | E777-C779 PolarHBondContact O-N 3.19Å; E777-C779 VanDerWaalsContact O-N 3.14Å; C779-L781 PolarHBondContact O-N 2.9Å; C779-L781 VanDerWaalsContact O-N 3.09Å | ||
| 780 | R | 44.2 | Very low | 43.9 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.4 | 176.4 | -81.1 | -179.4 | 171.3 | 172.2 | -2.2 | 115.2 | R778 | R778-R780 PolarHBondContact O-N 2.81Š|
| 781 | L | 48.6 | Very low | 46.2 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 59% | 0.592 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -28.3 | -174.2 | -107.1 | 141.1 | 0 | 0 | 0 | 114.4 | C779 N783 A784 F787 | C779-L781 PolarHBondContact O-N 2.9Å; C779-L781 VanDerWaalsContact O-N 3.09Å; L781-N783 VanDerWaalsContact C-N 3.28Å; L781-N783 PolarHBondContact O-N 2.97Å; L781-A784 WeakPolarHBondContact O-CB 3.49Å; L781-A784 PolarHBondContact O-N 3.41Å; L781-F787 HydrophobicContact CD2-CD2 4.27Å |
| 782 | L | 47.6 | Very low | 48.7 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -22.6 | 178 | -83.7 | 160.6 | 0 | 0 | 0 | 113.2 | F787 | L782-F787 HydrophobicContact CD2-CE1 4.41Š|
| 783 | N | 48 | Very low | 51.3 | Low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -1.1 | 174.6 | -71.5 | -7.1 | 0 | 0 | 0 | 112.9 | L781 P785 | L781-N783 VanDerWaalsContact C-N 3.28Å; L781-N783 PolarHBondContact O-N 2.97Å; N783-P785 WeakPolarHBondContact O-CD 3.5Å |
| 784 | A | 52 | Low | 53.8 | Low | 17 Ų | 17 | 133.1 Ų | 133.1 | 14% | 0.14 | 65% | 0.652 | C | S | . | * | trans | -75 | 119.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L781 F786 F787 | L781-A784 WeakPolarHBondContact O-CB 3.49Å; L781-A784 PolarHBondContact O-N 3.41Å; A784-F786 HydrophobicContact CB-CD1 4.48Å; A784-F786 HydrophobicContact CB-CD2 3.97Å; A784-F786 HydrophobicContact CB-CE1 4.04Å; A784-F786 HydrophobicContact CB-CE2 3.5Å; A784-F786 VanDerWaalsContact CB-CE2 3.5Å; A784-F786 HydrophobicContact CB-CG 4.46Å; A784-F786 HydrophobicContact CB-CZ 3.55Å; A784-F786 PolarHBondContact O-N 2.95Å; A784-F787 WeakPolarHBondContact O-CB 3.49Å; A784-F787 PolarHBondContact O-N 3.33Å | ||
| 785 | P | 58.3 | Low | 56.3 | Low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -16.6 | -171.5 | 21.6 | -32.2 | 0 | 0 | 0 | 113.9 | N783 | N783-P785 WeakPolarHBondContact O-CD 3.5Š|
| 786 | F | 65.7 | Low | 59.1 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 63% | 0.632 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -12.5 | 178.3 | 37.1 | -92.1 | 0 | 0 | 0 | 114.6 | A784 A789 F790 | A784-F786 HydrophobicContact CB-CD1 4.48Å; A784-F786 HydrophobicContact CB-CD2 3.97Å; A784-F786 HydrophobicContact CB-CE1 4.04Å; A784-F786 HydrophobicContact CB-CE2 3.5Å; A784-F786 VanDerWaalsContact CB-CE2 3.5Å; A784-F786 HydrophobicContact CB-CG 4.46Å; A784-F786 HydrophobicContact CB-CZ 3.55Å; A784-F786 PolarHBondContact O-N 2.95Å; F786-A789 PolarHBondContact O-N 3.12Å; F786-F790 PolarHBondContact O-N 2.87Å |
| 787 | F | 62.8 | Low | 61.7 | Low | 71 Ų | 71 | 121 Ų | 121 | 31% | 0.311 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | -175.4 | -171.2 | -105.4 | 0 | 0 | 0 | 112.4 | L781 L782 A784 A789 F790 I791 | L781-F787 HydrophobicContact CD2-CD2 4.27Å; L782-F787 HydrophobicContact CD2-CE1 4.41Å; A784-F787 WeakPolarHBondContact O-CB 3.49Å; A784-F787 PolarHBondContact O-N 3.33Å; F787-A789 VanDerWaalsContact C-N 3.32Å; F787-A789 PolarHBondContact O-N 3.44Å; F787-F790 WeakPolarHBondContact O-CB 3.21Å; F787-F790 PolarHBondContact O-N 3.13Å; F787-F790 VanDerWaalsContact O-N 3.14Å; F787-I791 HydrophobicContact CD1-CD1 4.09Å; F787-I791 HydrophobicContact CE1-CD1 3.45Å; F787-I791 VanDerWaalsContact CE1-CD1 3.45Å; F787-I791 HydrophobicContact CE1-CG1 4.16Å; F787-I791 HydrophobicContact CZ-CD1 3.88Å; F787-I791 HydrophobicContact CZ-CG1 4.33Å; F787-I791 PolarHBondContact O-N 3.22Å |
| 788 | M | 67.5 | Low | 64.3 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 72% | 0.719 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.5 | -38.9 | 174.5 | -78.9 | -62.7 | -158.9 | 0 | 0 | 112.1 | F790 I791 L792 | M788-F790 VanDerWaalsContact C-N 3.31Å; M788-F790 PolarHBondContact O-N 3.07Å; M788-I791 PolarHBondContact O-N 3.4Å; M788-L792 WeakPolarHBondContact O-CB 3.21Å; M788-L792 PolarHBondContact O-N 3.46Å |
| 789 | A | 73.8 | Confident | 66.9 | Low | 54 Ų | 54 | 111.7 Ų | 111.7 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -34.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F786 F787 K793 | F786-A789 PolarHBondContact O-N 3.12Å; F787-A789 VanDerWaalsContact C-N 3.32Å; F787-A789 PolarHBondContact O-N 3.44Å; A789-K793 WeakPolarHBondContact O-CG 3.33Å; A789-K793 PolarHBondContact O-N 3.08Å; A789-K793 VanDerWaalsContact O-N 3.11Å |
| 790 | F | 73.2 | Confident | 69.3 | Low | 132 Ų | 132 | 111.6 Ų | 111.6 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -46.6 | 176 | -175.3 | -98.6 | 0 | 0 | 0 | 112 | F786 F787 M788 L792 K793 V794 | F786-F790 PolarHBondContact O-N 2.87Å; F787-F790 WeakPolarHBondContact O-CB 3.21Å; F787-F790 PolarHBondContact O-N 3.13Å; F787-F790 VanDerWaalsContact O-N 3.14Å; M788-F790 VanDerWaalsContact C-N 3.31Å; M788-F790 PolarHBondContact O-N 3.07Å; F790-L792 VanDerWaalsContact C-N 3.27Å; F790-L792 PolarHBondContact O-N 3.22Å; F790-K793 PolarHBondContact O-N 2.62Å; F790-K793 VanDerWaalsContact O-N 3.16Å; F790-V794 HydrophobicContact CD1-CG2 4.27Å; F790-V794 HydrophobicContact CE1-CG2 3.86Å; F790-V794 HydrophobicContact CZ-CG2 4.02Å; F790-V794 WeakPolarHBondContact O-CG2 3.33Å; F790-V794 PolarHBondContact O-N 3.35Å |
| 791 | I | 74 | Confident | 71.3 | Confident | 90 Ų | 90 | 105.3 Ų | 105.3 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.8 | -42 | 175.6 | -71.3 | -171.5 | 0 | 0 | 0 | 110.8 | F787 M788 K793 V794 G795 | F787-I791 HydrophobicContact CD1-CD1 4.09Å; F787-I791 HydrophobicContact CE1-CD1 3.45Å; F787-I791 VanDerWaalsContact CE1-CD1 3.45Å; F787-I791 HydrophobicContact CE1-CG1 4.16Å; F787-I791 HydrophobicContact CZ-CD1 3.88Å; F787-I791 HydrophobicContact CZ-CG1 4.33Å; F787-I791 PolarHBondContact O-N 3.22Å; M788-I791 PolarHBondContact O-N 3.4Å; I791-K793 VanDerWaalsContact C-N 3.34Å; I791-K793 PolarHBondContact O-N 3.32Å; I791-V794 PolarHBondContact O-N 3.12Å; I791-G795 PolarHBondContact O-N 3.18Å |
| 792 | L | 75 | Confident | 73.2 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 178.5 | -142.2 | 119.5 | 0 | 0 | 0 | 111.8 | M788 F790 G795 V796 | M788-L792 WeakPolarHBondContact O-CB 3.21Å; M788-L792 PolarHBondContact O-N 3.46Å; F790-L792 VanDerWaalsContact C-N 3.27Å; F790-L792 PolarHBondContact O-N 3.22Å; L792-G795 PolarHBondContact O-N 2.66Å; L792-V796 VanDerWaalsContact O-CG2 3.3Å; L792-V796 WeakPolarHBondContact O-CG2 3Å; L792-V796 PolarHBondContact O-N 2.99Å |
| 793 | K | 79.9 | Confident | 75.1 | Confident | 162 Ų | 162 | 102.9 Ų | 102.9 | 70% | 0.704 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.6 | -41.7 | 175.5 | -79.1 | -179.8 | 178.9 | -179.1 | 0 | 112.6 | A789 F790 I791 V796 L797 | A789-K793 WeakPolarHBondContact O-CG 3.33Å; A789-K793 PolarHBondContact O-N 3.08Å; A789-K793 VanDerWaalsContact O-N 3.11Å; F790-K793 PolarHBondContact O-N 2.62Å; F790-K793 VanDerWaalsContact O-N 3.16Å; I791-K793 VanDerWaalsContact C-N 3.34Å; I791-K793 PolarHBondContact O-N 3.32Å; K793-V796 PolarHBondContact O-N 2.89Å; K793-L797 PolarHBondContact O-N 2.76Å; K793-L797 VanDerWaalsContact O-N 3.13Å |
| 794 | V | 76.9 | Confident | 77.1 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | F790 I791 V796 L797 D798 | F790-V794 HydrophobicContact CD1-CG2 4.27Å; F790-V794 HydrophobicContact CE1-CG2 3.86Å; F790-V794 HydrophobicContact CZ-CG2 4.02Å; F790-V794 WeakPolarHBondContact O-CG2 3.33Å; F790-V794 PolarHBondContact O-N 3.35Å; I791-V794 PolarHBondContact O-N 3.12Å; V794-V796 PolarHBondContact O-N 3.19Å; V794-L797 WeakPolarHBondContact O-CB 3.25Å; V794-L797 PolarHBondContact O-N 3.49Å; V794-D798 PolarHBondContact O-N 3.14Å |
| 795 | G | 80.2 | Confident | 78.7 | Confident | 43 Ų | 43 | 103.9 Ų | 103.9 | 44% | 0.443 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I791 L792 D798 L799 | I791-G795 PolarHBondContact O-N 3.18Å; L792-G795 PolarHBondContact O-N 2.66Å; G795-D798 PolarHBondContact O-N 2.96Å; G795-L799 PolarHBondContact O-N 2.82Å; G795-L799 VanDerWaalsContact O-N 3.12Å |
| 796 | V | 84.7 | Confident | 80.1 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L792 K793 V794 L799 L800 | L792-V796 VanDerWaalsContact O-CG2 3.3Å; L792-V796 WeakPolarHBondContact O-CG2 3Å; L792-V796 PolarHBondContact O-N 2.99Å; K793-V796 PolarHBondContact O-N 2.89Å; V794-V796 PolarHBondContact O-N 3.19Å; V796-L799 PolarHBondContact O-N 3.11Å; V796-L800 WeakPolarHBondContact O-CB 3.04Å; V796-L800 PolarHBondContact O-N 3.35Å; V796-L800 VanDerWaalsContact O-N 3.13Å |
| 797 | L | 85.4 | Confident | 81.3 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 177.5 | -170 | 78.6 | 0 | 0 | 0 | 111.5 | K793 V794 L800 L801 | K793-L797 PolarHBondContact O-N 2.76Å; K793-L797 VanDerWaalsContact O-N 3.13Å; V794-L797 WeakPolarHBondContact O-CB 3.25Å; V794-L797 PolarHBondContact O-N 3.49Å; L797-L800 PolarHBondContact O-N 3.24Å; L797-L801 HydrophobicContact CG-CD1 4.44Å; L797-L801 PolarHBondContact O-N 3.36Å |
| 798 | D | 84.1 | Confident | 82.2 | Confident | 101 Ų | 101 | 103.9 Ų | 103.9 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | -179.8 | -163.4 | 43.4 | 0 | 0 | 0 | 111.7 | V794 G795 L800 L801 L802 | V794-D798 PolarHBondContact O-N 3.14Å; G795-D798 PolarHBondContact O-N 2.96Å; D798-L800 VanDerWaalsContact C-N 3.26Å; D798-L800 PolarHBondContact O-N 3.18Å; D798-L801 PolarHBondContact O-N 2.78Å; D798-L802 WeakPolarHBondContact O-CB 3.23Å; D798-L802 PolarHBondContact O-N 3.27Å |
| 799 | L | 86.4 | Confident | 83 | Confident | 126 Ų | 126 | 100.5 Ų | 100.5 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -38.9 | 174.1 | -158.2 | 99.9 | 0 | 0 | 0 | 111.9 | G795 V796 L802 L803 | G795-L799 PolarHBondContact O-N 2.82Å; G795-L799 VanDerWaalsContact O-N 3.12Å; V796-L799 PolarHBondContact O-N 3.11Å; L799-L802 PolarHBondContact O-N 2.9Å; L799-L803 WeakPolarHBondContact O-CB 3.46Å; L799-L803 PolarHBondContact O-N 3.31Å; L799-L803 VanDerWaalsContact O-N 3.09Å |
| 800 | L | 87.6 | Confident | 83.6 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.8 | -40.8 | -179.3 | -150.9 | 149.4 | 0 | 0 | 0 | 111.6 | V796 L797 D798 L802 L803 I804 | V796-L800 WeakPolarHBondContact O-CB 3.04Å; V796-L800 PolarHBondContact O-N 3.35Å; V796-L800 VanDerWaalsContact O-N 3.13Å; L797-L800 PolarHBondContact O-N 3.24Å; D798-L800 VanDerWaalsContact C-N 3.26Å; D798-L800 PolarHBondContact O-N 3.18Å; L800-L802 VanDerWaalsContact C-N 3.34Å; L800-L803 PolarHBondContact O-N 3.19Å; L800-I804 HydrophobicContact CD2-CD1 3.85Å; L800-I804 HydrophobicContact CD2-CG1 4.47Å; L800-I804 WeakPolarHBondContact O-CG1 3.29Å; L800-I804 PolarHBondContact O-N 3.44Å; L800-I804 VanDerWaalsContact O-N 3.11Å |
| 801 | L | 86.3 | Confident | 84 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.3 | -78 | 166.2 | 0 | 0 | 0 | 111.7 | L797 D798 L803 I804 M805 | L797-L801 HydrophobicContact CG-CD1 4.44Å; L797-L801 PolarHBondContact O-N 3.36Å; D798-L801 PolarHBondContact O-N 2.78Å; L801-L803 VanDerWaalsContact C-N 3.33Å; L801-L803 PolarHBondContact O-N 2.96Å; L801-I804 PolarHBondContact O-N 3.01Å; L801-M805 PolarHBondContact O-N 3.03Å; L801-M805 VanDerWaalsContact O-N 3.08Å |
| 802 | L | 87.2 | Confident | 84.3 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 179.7 | -157.4 | 140.7 | 0 | 0 | 0 | 111.6 | D798 L799 L800 M805 F806 | D798-L802 WeakPolarHBondContact O-CB 3.23Å; D798-L802 PolarHBondContact O-N 3.27Å; L799-L802 PolarHBondContact O-N 2.9Å; L800-L802 VanDerWaalsContact C-N 3.34Å; L802-M805 WeakPolarHBondContact O-CB 3.35Å; L802-M805 PolarHBondContact O-N 3.01Å; L802-F806 HydrophobicContact CD2-CD2 3.84Å; L802-F806 HydrophobicContact CD2-CE2 3.52Å; L802-F806 WeakPolarHBondContact O-CD2 3.44Å; L802-F806 PolarHBondContact O-N 3.01Å; L802-F806 VanDerWaalsContact O-N 3.14Å |
| 803 | L | 88.9 | Confident | 84.3 | Confident | 101 Ų | 101 | 106.4 Ų | 106.4 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.6 | -148.5 | 151 | 0 | 0 | 0 | 112.2 | L799 L800 L801 M805 F806 I807 | L799-L803 WeakPolarHBondContact O-CB 3.46Å; L799-L803 PolarHBondContact O-N 3.31Å; L799-L803 VanDerWaalsContact O-N 3.09Å; L800-L803 PolarHBondContact O-N 3.19Å; L801-L803 VanDerWaalsContact C-N 3.33Å; L801-L803 PolarHBondContact O-N 2.96Å; L803-M805 VanDerWaalsContact C-N 3.3Å; L803-M805 PolarHBondContact O-N 3.25Å; L803-F806 PolarHBondContact O-N 3.4Å; L803-I807 HydrophobicContact CD2-CD1 3.79Å; L803-I807 HydrophobicContact CD2-CG1 4.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.35Å; L803-I807 PolarHBondContact O-N 3.17Å; L803-I807 VanDerWaalsContact O-N 3.12Å |
| 804 | I | 89 | Confident | 84.1 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 173 | -69.5 | 168.5 | 0 | 0 | 0 | 110.8 | L800 L801 F806 I807 L808 | L800-I804 HydrophobicContact CD2-CD1 3.85Å; L800-I804 HydrophobicContact CD2-CG1 4.47Å; L800-I804 WeakPolarHBondContact O-CG1 3.29Å; L800-I804 PolarHBondContact O-N 3.44Å; L800-I804 VanDerWaalsContact O-N 3.11Å; L801-I804 PolarHBondContact O-N 3.01Å; I804-F806 PolarHBondContact O-N 3.1Å; I804-I807 PolarHBondContact O-N 2.9Å; I804-L808 HydrophobicContact CG2-CD1 4.19Å; I804-L808 WeakPolarHBondContact O-CG 3.48Å; I804-L808 PolarHBondContact O-N 3.43Å |
| 805 | M | 86 | Confident | 83.9 | Confident | 109 Ų | 109 | 104 Ų | 104 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 178.5 | -123.4 | -76.7 | -72.1 | 0 | 0 | 111.8 | L801 L802 L803 L808 I809 | L801-M805 PolarHBondContact O-N 3.03Å; L801-M805 VanDerWaalsContact O-N 3.08Å; L802-M805 WeakPolarHBondContact O-CB 3.35Å; L802-M805 PolarHBondContact O-N 3.01Å; L803-M805 VanDerWaalsContact C-N 3.3Å; L803-M805 PolarHBondContact O-N 3.25Å; M805-L808 PolarHBondContact O-N 2.61Å; M805-I809 HydrophobicContact CE-CD1 3.73Å; M805-I809 WeakPolarHBondContact O-CG1 3.28Å; M805-I809 PolarHBondContact O-N 3.14Å; M805-I809 VanDerWaalsContact O-N 3.11Å; M805-I809 HydrophobicContact SD-CD1 4.06Å; M805-I809 HydrophobicContact SD-CG1 4.43Å |
| 806 | F | 88.6 | Confident | 83.3 | Confident | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.2 | -88.6 | -64.7 | 0 | 0 | 0 | 113 | L802 L803 I804 L808 I809 I810 | L802-F806 HydrophobicContact CD2-CD2 3.84Å; L802-F806 HydrophobicContact CD2-CE2 3.52Å; L802-F806 WeakPolarHBondContact O-CD2 3.44Å; L802-F806 PolarHBondContact O-N 3.01Å; L802-F806 VanDerWaalsContact O-N 3.14Å; L803-F806 PolarHBondContact O-N 3.4Å; I804-F806 PolarHBondContact O-N 3.1Å; F806-L808 VanDerWaalsContact C-N 3.31Å; F806-L808 PolarHBondContact O-N 3.24Å; F806-I809 PolarHBondContact O-N 2.75Å; F806-I810 WeakPolarHBondContact O-CG1 3.5Å; F806-I810 PolarHBondContact O-N 3.35Å |
| 807 | I | 89.6 | Confident | 82.4 | Confident | 101 Ų | 101 | 104.2 Ų | 104.2 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 177.1 | -67.8 | 168.8 | 0 | 0 | 0 | 110.6 | L803 I804 I809 I810 Y811 | L803-I807 HydrophobicContact CD2-CD1 3.79Å; L803-I807 HydrophobicContact CD2-CG1 4.35Å; L803-I807 WeakPolarHBondContact O-CG1 3.35Å; L803-I807 PolarHBondContact O-N 3.17Å; L803-I807 VanDerWaalsContact O-N 3.12Å; I804-I807 PolarHBondContact O-N 2.9Å; I807-I809 PolarHBondContact O-N 3.49Å; I807-I810 PolarHBondContact O-N 2.75Å; I807-Y811 WeakPolarHBondContact O-CB 3.49Å; I807-Y811 PolarHBondContact O-N 2.72Å |
| 808 | L | 83 | Confident | 81.6 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 178.6 | -71.9 | 172.4 | 0 | 0 | 0 | 112.4 | I804 M805 F806 Y811 H812 | I804-L808 HydrophobicContact CG2-CD1 4.19Å; I804-L808 WeakPolarHBondContact O-CG 3.48Å; I804-L808 PolarHBondContact O-N 3.43Å; M805-L808 PolarHBondContact O-N 2.61Å; F806-L808 VanDerWaalsContact C-N 3.31Å; F806-L808 PolarHBondContact O-N 3.24Å; L808-Y811 PolarHBondContact O-N 2.82Å; L808-H812 WeakPolarHBondContact O-CB 3.02Å; L808-H812 PolarHBondContact O-N 2.98Å |
| 809 | I | 84.2 | Confident | 80.9 | Confident | 75 Ų | 75 | 99 Ų | 99 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 178.1 | -68.8 | 168.9 | 0 | 0 | 0 | 110.9 | M805 F806 I807 H812 R813 | M805-I809 HydrophobicContact CE-CD1 3.73Å; M805-I809 WeakPolarHBondContact O-CG1 3.28Å; M805-I809 PolarHBondContact O-N 3.14Å; M805-I809 VanDerWaalsContact O-N 3.11Å; M805-I809 HydrophobicContact SD-CD1 4.06Å; M805-I809 HydrophobicContact SD-CG1 4.43Å; F806-I809 PolarHBondContact O-N 2.75Å; I807-I809 PolarHBondContact O-N 3.49Å; I809-H812 PolarHBondContact O-N 3.19Å; I809-R813 PolarHBondContact O-N 2.95Å |
| 810 | I | 85.6 | Confident | 80.2 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 179.2 | -67.2 | 169.5 | 0 | 0 | 0 | 110.2 | F806 I807 H812 R813 S814 | F806-I810 WeakPolarHBondContact O-CG1 3.5Å; F806-I810 PolarHBondContact O-N 3.35Å; I807-I810 PolarHBondContact O-N 2.75Å; I810-H812 PolarHBondContact O-N 2.82Å; I810-R813 PolarHBondContact O-N 2.77Å; I810-S814 WeakPolarHBondContact O-CB 3.12Å; I810-S814 PolarHBondContact O-N 2.88Å; I810-S814 PolarHBondContact O-OG 2.84Å; I810-S814 VanDerWaalsContact O-OG 3.13Å |
| 811 | Y | 82 | Confident | 79.5 | Confident | 134 Ų | 134 | 105.8 Ų | 105.8 | 53% | 0.525 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.1 | -175 | -99.9 | 0 | 0 | 0 | 112.4 | I807 L808 R813 S814 H815 | I807-Y811 WeakPolarHBondContact O-CB 3.49Å; I807-Y811 PolarHBondContact O-N 2.72Å; L808-Y811 PolarHBondContact O-N 2.82Å; Y811-R813 VanDerWaalsContact C-N 3.34Å; Y811-R813 PolarHBondContact O-N 2.88Å; Y811-S814 PolarHBondContact O-N 3.48Å; Y811-S814 PolarHBondContact O-OG 2.84Å; Y811-H815 HydrophobicContact CE2-CB 4.46Å; Y811-H815 PolarHBondContact O-N 3.31Å |
| 812 | H | 79.1 | Confident | 79 | Confident | 96 Ų | 96 | 110 Ų | 110 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | I | π-helix | trans | -62.9 | -41.2 | 177.5 | -176.7 | -80.3 | 0 | 0 | 0 | 111.6 | L808 I809 I810 I816 | L808-H812 WeakPolarHBondContact O-CB 3.02Å; L808-H812 PolarHBondContact O-N 2.98Å; I809-H812 PolarHBondContact O-N 3.19Å; I810-H812 PolarHBondContact O-N 2.82Å; H812-I816 HydrophobicContact CB-CD1 4.43Å; H812-I816 WeakPolarHBondContact O-CB 3.17Å; H812-I816 PolarHBondContact O-N 3.08Å |
| 813 | R | 75.6 | Confident | 78.4 | Confident | 185 Ų | 185 | 112.4 Ų | 112.4 | 70% | 0.698 | 52% | 0.52 | S | S | * | . | I | π-helix | trans | -70.8 | -40.3 | 178.4 | -81.3 | -164.6 | 172.7 | -169.8 | 1.2 | 113.2 | I809 I810 Y811 I817 | I809-R813 PolarHBondContact O-N 2.95Å; I810-R813 PolarHBondContact O-N 2.77Å; Y811-R813 VanDerWaalsContact C-N 3.34Å; Y811-R813 PolarHBondContact O-N 2.88Å; R813-I817 HydrophobicContact CG-CD1 4.16Å |
| 814 | S | 76.5 | Confident | 77.5 | Confident | 67 Ų | 67 | 115.5 Ų | 115.5 | 47% | 0.469 | 53% | 0.529 | S | S | . | . | I | π-helix | trans | -76.7 | -38.6 | -175.3 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | I810 Y811 P818 | I810-S814 WeakPolarHBondContact O-CB 3.12Å; I810-S814 PolarHBondContact O-N 2.88Å; I810-S814 PolarHBondContact O-OG 2.84Å; I810-S814 VanDerWaalsContact O-OG 3.13Å; Y811-S814 PolarHBondContact O-N 3.48Å; Y811-S814 PolarHBondContact O-OG 2.84Å; S814-P818 WeakPolarHBondContact O-CD 3.37Å; S814-P818 VanDerWaalsContact O-CG 3.31Å; S814-P818 WeakPolarHBondContact O-CG 3.43Å |
| 815 | H | 72.1 | Confident | 76.8 | Confident | 120 Ų | 120 | 117 Ų | 117 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | I | π-helix | trans | -103.2 | -47 | -170.9 | -109.5 | -91 | 0 | 0 | 0 | 114 | Y811 A819 | Y811-H815 HydrophobicContact CE2-CB 4.46Å; Y811-H815 PolarHBondContact O-N 3.31Å; H815-A819 WeakPolarHBondContact O-CB 3.17Å; H815-A819 PolarHBondContact O-N 3.47Å |
| 816 | I | 66.9 | Low | 76.3 | Confident | 66 Ų | 66 | 118.9 Ų | 118.9 | 34% | 0.338 | 54% | 0.542 | S | S | . | . | I | π-helix | trans | -77.1 | -41.3 | -167.3 | -63.4 | 174.9 | 0 | 0 | 0 | 110.9 | H812 A819 R820 | H812-I816 HydrophobicContact CB-CD1 4.43Å; H812-I816 WeakPolarHBondContact O-CB 3.17Å; H812-I816 PolarHBondContact O-N 3.08Å; I816-A819 PolarHBondContact O-N 3.46Å; I816-R820 PolarHBondContact O-N 3.36Å; I816-R820 VanDerWaalsContact O-N 3.16Å |
| 817 | I | 67 | Low | 75.6 | Confident | 69 Ų | 69 | 117.3 Ų | 117.3 | 35% | 0.354 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -47.6 | -176.4 | -58.8 | 178.6 | 0 | 0 | 0 | 111.9 | R813 A819 R820 R821 | R813-I817 HydrophobicContact CG-CD1 4.16Å; I817-A819 PolarHBondContact O-N 3.47Å; I817-R820 PolarHBondContact O-N 3.03Å; I817-R821 PolarHBondContact O-N 3.4Å |
| 818 | P | 67.4 | Low | 75 | Confident | 50 Ų | 50 | 114.1 Ų | 114.1 | 33% | 0.325 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -35.3 | 178.2 | -23.7 | 36.9 | 0 | 0 | 0 | 113.2 | S814 R821 R822 | S814-P818 WeakPolarHBondContact O-CD 3.37Å; S814-P818 VanDerWaalsContact O-CG 3.31Å; S814-P818 WeakPolarHBondContact O-CG 3.43Å; P818-R821 PolarHBondContact O-N 2.99Å; P818-R822 PolarHBondContact O-N 3.17Å; P818-R822 VanDerWaalsContact O-N 3.11Å |
| 819 | A | 69.8 | Low | 74.7 | Confident | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H815 I816 I817 R821 R822 Y823 | H815-A819 WeakPolarHBondContact O-CB 3.17Å; H815-A819 PolarHBondContact O-N 3.47Å; I816-A819 PolarHBondContact O-N 3.46Å; I817-A819 PolarHBondContact O-N 3.47Å; A819-R821 VanDerWaalsContact C-N 3.35Å; A819-R821 PolarHBondContact O-N 3.32Å; A819-R822 PolarHBondContact O-N 3.2Å; A819-Y823 PolarHBondContact O-N 3.01Å |
| 820 | R | 72.6 | Confident | 74.3 | Confident | 186 Ų | 186 | 114 Ų | 114 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 175 | -95.9 | -176.4 | -176 | 177.1 | 3.4 | 112.9 | I816 I817 Y823 K824 | I816-R820 PolarHBondContact O-N 3.36Å; I816-R820 VanDerWaalsContact O-N 3.16Å; I817-R820 PolarHBondContact O-N 3.03Å; R820-Y823 PolarHBondContact O-N 2.79Å; R820-K824 PolarHBondContact O-N 2.71Å; R820-K824 VanDerWaalsContact O-N 3.12Å |
| 821 | R | 72.1 | Confident | 73.8 | Confident | 185 Ų | 185 | 116.8 Ų | 116.8 | 70% | 0.698 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 176.9 | -74.7 | -173.3 | -176.9 | -175.2 | 1.7 | 111.4 | I817 P818 A819 Y823 K824 I825 | I817-R821 PolarHBondContact O-N 3.4Å; P818-R821 PolarHBondContact O-N 2.99Å; A819-R821 VanDerWaalsContact C-N 3.35Å; A819-R821 PolarHBondContact O-N 3.32Å; R821-Y823 VanDerWaalsContact C-N 3.33Å; R821-Y823 PolarHBondContact O-N 3.11Å; R821-K824 PolarHBondContact O-N 3.4Å; R821-I825 WeakPolarHBondContact O-CG1 2.89Å; R821-I825 PolarHBondContact O-N 3.1Å |
| 822 | R | 75.1 | Confident | 73.5 | Confident | 188 Ų | 188 | 116.2 Ų | 116.2 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 177.2 | -73.9 | -168.4 | -99.8 | -152.8 | -2 | 112.4 | P818 A819 I825 K826 | P818-R822 PolarHBondContact O-N 3.17Å; P818-R822 VanDerWaalsContact O-N 3.11Å; A819-R822 PolarHBondContact O-N 3.2Å; R822-I825 PolarHBondContact O-N 3.44Å; R822-K826 PolarHBondContact O-N 3.47Å; R822-K826 VanDerWaalsContact O-N 3.12Å |
| 823 | Y | 75.4 | Confident | 73.5 | Confident | 149 Ų | 149 | 119.4 Ų | 119.4 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 178 | -173.9 | -99.1 | 0 | 0 | 0 | 112.9 | A819 R820 R821 I825 K826 M827 | A819-Y823 PolarHBondContact O-N 3.01Å; R820-Y823 PolarHBondContact O-N 2.79Å; R821-Y823 VanDerWaalsContact C-N 3.33Å; R821-Y823 PolarHBondContact O-N 3.11Å; Y823-I825 PolarHBondContact O-N 3.08Å; Y823-K826 PolarHBondContact O-N 3.43Å; Y823-M827 HydrophobicContact CD1-CG 4.39Å; Y823-M827 HydrophobicContact CE1-CG 3.94Å; Y823-M827 HydrophobicContact CE2-CE 4.12Å; Y823-M827 HydrophobicContact CE2-CG 4.5Å; Y823-M827 PolarHBondContact O-N 2.99Å; Y823-M827 WeakPolarHBondContact OH-CE 3.1Å |
| 824 | K | 69.4 | Low | 73.7 | Confident | 166 Ų | 166 | 117.7 Ų | 117.7 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 177.3 | -82.7 | -172 | 176.7 | -177.2 | 0 | 112.2 | R820 R821 M827 G828 | R820-K824 PolarHBondContact O-N 2.71Å; R820-K824 VanDerWaalsContact O-N 3.12Å; R821-K824 PolarHBondContact O-N 3.4Å; K824-M827 PolarHBondContact O-N 3.49Å; K824-G828 PolarHBondContact O-N 3.29Å |
| 825 | I | 74.5 | Confident | 73.7 | Confident | 112 Ų | 112 | 120.6 Ų | 120.6 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 178 | -65.9 | 168.9 | 0 | 0 | 0 | 110.6 | R821 R822 Y823 M827 G828 I829 | R821-I825 WeakPolarHBondContact O-CG1 2.89Å; R821-I825 PolarHBondContact O-N 3.1Å; R822-I825 PolarHBondContact O-N 3.44Å; Y823-I825 PolarHBondContact O-N 3.08Å; I825-M827 VanDerWaalsContact C-N 3.34Å; I825-M827 PolarHBondContact O-N 3.44Å; I825-G828 PolarHBondContact O-N 3.46Å; I825-I829 HydrophobicContact CG2-CD1 4.08Å; I825-I829 WeakPolarHBondContact O-CG1 3.47Å; I825-I829 PolarHBondContact O-N 3.06Å; I825-I829 VanDerWaalsContact O-N 3.1Å |
| 826 | K | 76.9 | Confident | 74 | Confident | 150 Ų | 150 | 123.3 Ų | 123.3 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -42.4 | 179.4 | -162 | 174.1 | -176.9 | 178 | 0 | 111.9 | R822 Y823 I829 L830 | R822-K826 PolarHBondContact O-N 3.47Å; R822-K826 VanDerWaalsContact O-N 3.12Å; Y823-K826 PolarHBondContact O-N 3.43Å; K826-I829 PolarHBondContact O-N 3.41Å; K826-L830 PolarHBondContact O-N 3.13Å |
| 827 | M | 72.5 | Confident | 74.7 | Confident | 90 Ų | 90 | 129.5 Ų | 129.5 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.2 | -36.4 | 176.2 | -80 | -62 | 167.6 | 0 | 0 | 113.2 | Y823 K824 I825 L830 K831 | Y823-M827 HydrophobicContact CD1-CG 4.39Å; Y823-M827 HydrophobicContact CE1-CG 3.94Å; Y823-M827 HydrophobicContact CE2-CE 4.12Å; Y823-M827 HydrophobicContact CE2-CG 4.5Å; Y823-M827 PolarHBondContact O-N 2.99Å; Y823-M827 WeakPolarHBondContact OH-CE 3.1Å; K824-M827 PolarHBondContact O-N 3.49Å; I825-M827 VanDerWaalsContact C-N 3.34Å; I825-M827 PolarHBondContact O-N 3.44Å; M827-L830 HydrophobicContact CE-CD1 4.42Å; M827-L830 PolarHBondContact O-N 3.03Å; M827-L830 HydrophobicContact SD-CD1 4.09Å; M827-K831 WeakPolarHBondContact O-CB 3.27Å; M827-K831 PolarHBondContact O-N 3.4Å |
| 828 | G | 76.8 | Confident | 75.1 | Confident | 34 Ų | 34 | 131.3 Ų | 131.3 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.6 | -46.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K824 I825 K831 H832 | K824-G828 PolarHBondContact O-N 3.29Å; I825-G828 PolarHBondContact O-N 3.46Å; G828-K831 PolarHBondContact O-N 3.4Å; G828-H832 PolarHBondContact O-N 3.31Å; G828-H832 VanDerWaalsContact O-N 3.1Å |
| 829 | I | 78.3 | Confident | 75.7 | Confident | 90 Ų | 90 | 136.4 Ų | 136.4 | 46% | 0.462 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -43.8 | 178.6 | -64.8 | 167.7 | 0 | 0 | 0 | 111.4 | I825 K826 K831 H832 R833 | I825-I829 HydrophobicContact CG2-CD1 4.08Å; I825-I829 WeakPolarHBondContact O-CG1 3.47Å; I825-I829 PolarHBondContact O-N 3.06Å; I825-I829 VanDerWaalsContact O-N 3.1Å; K826-I829 PolarHBondContact O-N 3.41Å; I829-K831 PolarHBondContact O-N 2.91Å; I829-H832 PolarHBondContact O-N 3.06Å; I829-R833 PolarHBondContact O-N 3.49Å |
| 830 | L | 75.8 | Confident | 76.3 | Confident | 91 Ų | 91 | 137.3 Ų | 137.3 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -43.4 | 177.7 | -78 | 167.3 | 0 | 0 | 0 | 112.1 | K826 M827 H832 R833 K834 | K826-L830 PolarHBondContact O-N 3.13Å; M827-L830 HydrophobicContact CE-CD1 4.42Å; M827-L830 PolarHBondContact O-N 3.03Å; M827-L830 HydrophobicContact SD-CD1 4.09Å; L830-H832 VanDerWaalsContact C-N 3.34Å; L830-H832 PolarHBondContact O-N 3.19Å; L830-R833 PolarHBondContact O-N 2.54Å; L830-K834 PolarHBondContact O-N 3.44Å |
| 831 | K | 74.8 | Confident | 76.8 | Confident | 169 Ų | 169 | 136.4 Ų | 136.4 | 74% | 0.735 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.7 | -41.3 | 178.1 | -161 | 174.6 | -176.3 | 178.9 | 0 | 111.3 | M827 G828 I829 K834 K835 | M827-K831 WeakPolarHBondContact O-CB 3.27Å; M827-K831 PolarHBondContact O-N 3.4Å; G828-K831 PolarHBondContact O-N 3.4Å; I829-K831 PolarHBondContact O-N 2.91Å; K831-K834 PolarHBondContact O-N 2.63Å; K831-K835 PolarHBondContact O-N 3.37Å |
| 832 | H | 75 | Confident | 77.2 | Confident | 123 Ų | 123 | 130 Ų | 130 | 57% | 0.569 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -43 | 174.6 | -93 | -83.8 | 0 | 0 | 0 | 112.9 | G828 I829 L830 K834 K835 R836 | G828-H832 PolarHBondContact O-N 3.31Å; G828-H832 VanDerWaalsContact O-N 3.1Å; I829-H832 PolarHBondContact O-N 3.06Å; L830-H832 VanDerWaalsContact C-N 3.34Å; L830-H832 PolarHBondContact O-N 3.19Å; H832-K834 PolarHBondContact O-N 2.86Å; H832-K835 PolarHBondContact O-N 3.38Å; H832-R836 PolarHBondContact O-N 3.21Å |
| 833 | R | 79.6 | Confident | 77.6 | Confident | 163 Ų | 163 | 128.9 Ų | 128.9 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -42.6 | 175.8 | -75 | -176.9 | 178.8 | -173.3 | -0.6 | 112 | I829 L830 K835 R836 R837 | I829-R833 PolarHBondContact O-N 3.49Å; L830-R833 PolarHBondContact O-N 2.54Å; R833-K835 PolarHBondContact O-N 3.06Å; R833-R836 PolarHBondContact O-N 3.07Å; R833-R837 PolarHBondContact O-N 3.08Å |
| 834 | K | 79.3 | Confident | 77.9 | Confident | 149 Ų | 149 | 131 Ų | 131 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.6 | -42 | 176.7 | -166.6 | 174.6 | -176.7 | 177.3 | 0 | 111.7 | L830 K831 H832 R837 L838 | L830-K834 PolarHBondContact O-N 3.44Å; K831-K834 PolarHBondContact O-N 2.63Å; H832-K834 PolarHBondContact O-N 2.86Å; K834-R837 PolarHBondContact O-N 3.01Å; K834-L838 PolarHBondContact O-N 3.14Å; K834-L838 VanDerWaalsContact O-N 3.08Å |
| 835 | K | 77.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 131.4 Ų | 131.4 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.3 | -39.3 | 177.2 | -163.5 | 173.4 | -176.8 | 177.6 | 0 | 112.3 | K831 H832 R833 R839 | K831-K835 PolarHBondContact O-N 3.37Å; H832-K835 PolarHBondContact O-N 3.38Å; R833-K835 PolarHBondContact O-N 3.06Å; K835-R839 PolarHBondContact O-N 3.38Å |
| 836 | R | 77.6 | Confident | 78.7 | Confident | 177 Ų | 177 | 131.3 Ų | 131.3 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.5 | -49.4 | 173.5 | -72.2 | -177.2 | -176.7 | 176.4 | 1.8 | 111.7 | H832 R833 L838 R839 D840 | H832-R836 PolarHBondContact O-N 3.21Å; R833-R836 PolarHBondContact O-N 3.07Å; R836-L838 VanDerWaalsContact C-N 3.31Å; R836-L838 PolarHBondContact O-N 3.18Å; R836-R839 PolarHBondContact O-N 3.34Å; R836-R839 VanDerWaalsContact O-N 3.14Å; R836-D840 PolarHBondContact O-N 3.29Å |
| 837 | R | 80.9 | Confident | 79 | Confident | 196 Ų | 196 | 133 Ų | 133 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.3 | -40.3 | 177.5 | -73.4 | -177.7 | -178.9 | 174.3 | -0.6 | 113.3 | R833 K834 D840 R841 | R833-R837 PolarHBondContact O-N 3.08Å; K834-R837 PolarHBondContact O-N 3.01Å; R837-D840 PolarHBondContact O-N 3.34Å; R837-R841 WeakPolarHBondContact O-CB 3.5Å; R837-R841 PolarHBondContact O-N 3.33Å |
| 838 | L | 76.3 | Confident | 79.5 | Confident | 107 Ų | 107 | 135.9 Ų | 135.9 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 177 | -75.9 | 168.9 | 0 | 0 | 0 | 112.2 | K834 R836 D840 R841 A842 | K834-L838 PolarHBondContact O-N 3.14Å; K834-L838 VanDerWaalsContact O-N 3.08Å; R836-L838 VanDerWaalsContact C-N 3.31Å; R836-L838 PolarHBondContact O-N 3.18Å; L838-D840 VanDerWaalsContact C-N 3.34Å; L838-D840 PolarHBondContact O-N 3.04Å; L838-R841 PolarHBondContact O-N 3.04Å; L838-A842 PolarHBondContact O-N 3.48Å |
| 839 | R | 80.3 | Confident | 79.7 | Confident | 158 Ų | 158 | 138.6 Ų | 138.6 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.6 | -41.7 | 175.5 | -77.8 | -177.1 | 176.1 | 177.7 | -2.6 | 111.9 | K835 R836 A842 R843 | K835-R839 PolarHBondContact O-N 3.38Å; R836-R839 PolarHBondContact O-N 3.34Å; R836-R839 VanDerWaalsContact O-N 3.14Å; R839-A842 PolarHBondContact O-N 3.46Å; R839-R843 WeakPolarHBondContact O-CG 3.47Å; R839-R843 PolarHBondContact O-N 3.04Å |
| 840 | D | 82.2 | Confident | 79.9 | Confident | 74 Ų | 74 | 138.1 Ų | 138.1 | 40% | 0.396 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 178.2 | -67.7 | -26.1 | 0 | 0 | 0 | 112.1 | R836 R837 L838 A842 R843 R844 | R836-D840 PolarHBondContact O-N 3.29Å; R837-D840 PolarHBondContact O-N 3.34Å; L838-D840 VanDerWaalsContact C-N 3.34Å; L838-D840 PolarHBondContact O-N 3.04Å; D840-A842 VanDerWaalsContact C-N 3.34Å; D840-A842 PolarHBondContact O-N 2.98Å; D840-R843 PolarHBondContact O-N 3.48Å; D840-R844 WeakPolarHBondContact O-CG 3.4Å; D840-R844 PolarHBondContact O-N 3.45Å |
| 841 | R | 81.5 | Confident | 80.2 | Confident | 166 Ų | 166 | 138.4 Ų | 138.4 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -41.7 | 175.6 | -152.4 | 177.9 | -145.5 | 170.3 | 5.7 | 111.6 | R837 L838 R844 R845 | R837-R841 WeakPolarHBondContact O-CB 3.5Å; R837-R841 PolarHBondContact O-N 3.33Å; L838-R841 PolarHBondContact O-N 3.04Å; R841-R844 PolarHBondContact O-N 3.43Å; R841-R845 WeakPolarHBondContact O-CG 3.44Å; R841-R845 PolarHBondContact O-N 3Å; R841-R845 VanDerWaalsContact O-N 3.12Å |
| 842 | A | 80.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 135.2 Ų | 135.2 | 43% | 0.43 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.7 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L838 R839 D840 R844 R845 L846 | L838-A842 PolarHBondContact O-N 3.48Å; R839-A842 PolarHBondContact O-N 3.46Å; D840-A842 VanDerWaalsContact C-N 3.34Å; D840-A842 PolarHBondContact O-N 2.98Å; A842-R844 PolarHBondContact O-N 3.33Å; A842-R845 PolarHBondContact O-N 3.09Å; A842-L846 PolarHBondContact O-N 3.12Å |
| 843 | R | 84.4 | Confident | 80.8 | Confident | 164 Ų | 164 | 137.1 Ų | 137.1 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.9 | -41.9 | 175.7 | -76.5 | 177.8 | 176.4 | 178 | -4.6 | 112.5 | R839 D840 L846 R847 | R839-R843 WeakPolarHBondContact O-CG 3.47Å; R839-R843 PolarHBondContact O-N 3.04Å; D840-R843 PolarHBondContact O-N 3.48Å; R843-L846 PolarHBondContact O-N 3.23Å; R843-R847 WeakPolarHBondContact O-CG 3.46Å; R843-R847 PolarHBondContact O-N 2.96Å |
| 844 | R | 81.8 | Confident | 80.9 | Confident | 192 Ų | 192 | 138.8 Ų | 138.8 | 73% | 0.725 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.8 | -42.3 | 175.9 | -72 | -179.5 | -168.9 | 177.9 | 2.7 | 112.2 | D840 R841 A842 R847 K848 | D840-R844 WeakPolarHBondContact O-CG 3.4Å; D840-R844 PolarHBondContact O-N 3.45Å; R841-R844 PolarHBondContact O-N 3.43Å; A842-R844 PolarHBondContact O-N 3.33Å; R844-R847 PolarHBondContact O-N 3.02Å; R844-K848 PolarHBondContact O-N 3.4Å; R844-K848 VanDerWaalsContact O-N 3.09Å |
| 845 | R | 80.8 | Confident | 81 | Confident | 176 Ų | 176 | 139.9 Ų | 139.9 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -45.4 | 176.4 | -73.7 | 178.8 | 176.2 | -175.6 | -3 | 111.6 | R841 A842 R847 K848 L849 | R841-R845 WeakPolarHBondContact O-CG 3.44Å; R841-R845 PolarHBondContact O-N 3Å; R841-R845 VanDerWaalsContact O-N 3.12Å; A842-R845 PolarHBondContact O-N 3.09Å; R845-R847 PolarHBondContact O-N 3.49Å; R845-K848 PolarHBondContact O-N 3.31Å; R845-L849 WeakPolarHBondContact O-CB 3.47Å; R845-L849 PolarHBondContact O-N 3.41Å |
| 846 | L | 80.6 | Confident | 81.1 | Confident | 109 Ų | 109 | 143.1 Ų | 143.1 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60 | -43.9 | 176.3 | -103.1 | 150.5 | 0 | 0 | 0 | 112.8 | A842 R843 K848 L849 N850 | A842-L846 PolarHBondContact O-N 3.12Å; R843-L846 PolarHBondContact O-N 3.23Å; L846-K848 PolarHBondContact O-N 3Å; L846-L849 PolarHBondContact O-N 3.49Å; L846-N850 PolarHBondContact O-N 3.27Å |
| 847 | R | 83 | Confident | 81.3 | Confident | 185 Ų | 185 | 141.7 Ų | 141.7 | 70% | 0.698 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.9 | -45.9 | 175.1 | -73.4 | -179.2 | -178.8 | -175.8 | -0.4 | 111.9 | R843 R844 R845 L849 N850 I851 | R843-R847 WeakPolarHBondContact O-CG 3.46Å; R843-R847 PolarHBondContact O-N 2.96Å; R844-R847 PolarHBondContact O-N 3.02Å; R845-R847 PolarHBondContact O-N 3.49Å; R847-L849 VanDerWaalsContact C-N 3.32Å; R847-L849 PolarHBondContact O-N 2.97Å; R847-N850 PolarHBondContact O-N 3.38Å; R847-I851 WeakPolarHBondContact O-CG1 3.36Å; R847-I851 PolarHBondContact O-N 3.04Å; R847-I851 VanDerWaalsContact O-N 3.07Å |
| 848 | K | 81.7 | Confident | 81.3 | Confident | 151 Ų | 151 | 139 Ų | 139 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 178.3 | -161.6 | 174.5 | -176 | 179.9 | 0 | 111.6 | R844 R845 L846 I851 L852 | R844-K848 PolarHBondContact O-N 3.4Å; R844-K848 VanDerWaalsContact O-N 3.09Å; R845-K848 PolarHBondContact O-N 3.31Å; L846-K848 PolarHBondContact O-N 3Å; K848-I851 PolarHBondContact O-N 3.4Å; K848-L852 WeakPolarHBondContact O-CG 3.39Å; K848-L852 PolarHBondContact O-N 3Å; K848-L852 VanDerWaalsContact O-N 3.1Å |
| 849 | L | 81 | Confident | 81.6 | Confident | 92 Ų | 92 | 138.2 Ų | 138.2 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -39 | 179.6 | -140.6 | 146.9 | 0 | 0 | 0 | 112.2 | R845 L846 R847 L852 R853 | R845-L849 WeakPolarHBondContact O-CB 3.47Å; R845-L849 PolarHBondContact O-N 3.41Å; L846-L849 PolarHBondContact O-N 3.49Å; R847-L849 VanDerWaalsContact C-N 3.32Å; R847-L849 PolarHBondContact O-N 2.97Å; L849-L852 PolarHBondContact O-N 2.99Å; L849-R853 PolarHBondContact O-N 3.1Å |
| 850 | N | 82.7 | Confident | 81.6 | Confident | 80 Ų | 80 | 136.4 Ų | 136.4 | 43% | 0.428 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.5 | -38.3 | 174.8 | -79.5 | -11.2 | 0 | 0 | 0 | 112.9 | L846 R847 R853 R854 | L846-N850 PolarHBondContact O-N 3.27Å; R847-N850 PolarHBondContact O-N 3.38Å; N850-R853 PolarHBondContact O-N 3.07Å; N850-R854 PolarHBondContact O-N 3.39Å |
| 851 | I | 82.5 | Confident | 81.5 | Confident | 96 Ų | 96 | 139 Ų | 139 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -44.5 | 174.5 | -67.6 | 166.8 | 0 | 0 | 0 | 110.5 | R847 K848 R853 R854 R855 | R847-I851 WeakPolarHBondContact O-CG1 3.36Å; R847-I851 PolarHBondContact O-N 3.04Å; R847-I851 VanDerWaalsContact O-N 3.07Å; K848-I851 PolarHBondContact O-N 3.4Å; I851-R853 PolarHBondContact O-N 3.33Å; I851-R854 PolarHBondContact O-N 3.42Å; I851-R855 PolarHBondContact O-N 3.07Å |
| 852 | L | 80.6 | Confident | 81.4 | Confident | 102 Ų | 102 | 137 Ų | 137 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -41.9 | 177.3 | -70.7 | 171.2 | 0 | 0 | 0 | 112 | K848 L849 R854 R855 R856 | K848-L852 WeakPolarHBondContact O-CG 3.39Å; K848-L852 PolarHBondContact O-N 3Å; K848-L852 VanDerWaalsContact O-N 3.1Å; L849-L852 PolarHBondContact O-N 2.99Å; L852-R854 PolarHBondContact O-N 3.47Å; L852-R855 PolarHBondContact O-N 3.4Å; L852-R856 PolarHBondContact O-N 3.34Å |
| 853 | R | 81.6 | Confident | 81.4 | Confident | 164 Ų | 164 | 140.7 Ų | 140.7 | 62% | 0.619 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.7 | -42.2 | 174.4 | -77.8 | -178.2 | 179.2 | 179.5 | -1.8 | 112.5 | L849 N850 I851 R856 K857 | L849-R853 PolarHBondContact O-N 3.1Å; N850-R853 PolarHBondContact O-N 3.07Å; I851-R853 PolarHBondContact O-N 3.33Å; R853-R856 PolarHBondContact O-N 3.25Å; R853-K857 PolarHBondContact O-N 3.48Å |
| 854 | R | 82 | Confident | 81 | Confident | 198 Ų | 198 | 137.9 Ų | 137.9 | 75% | 0.747 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.2 | -43 | 176.4 | -75.2 | -176.3 | 179.7 | -176.4 | -1.2 | 112.2 | N850 I851 L852 K857 K858 | N850-R854 PolarHBondContact O-N 3.39Å; I851-R854 PolarHBondContact O-N 3.42Å; L852-R854 PolarHBondContact O-N 3.47Å; R854-K857 PolarHBondContact O-N 3.06Å; R854-K858 PolarHBondContact O-N 3.25Å; R854-K858 VanDerWaalsContact O-N 3.09Å |
| 855 | R | 81.6 | Confident | 80.7 | Confident | 171 Ų | 171 | 131.3 Ų | 131.3 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.6 | -43.3 | 175.2 | -75.3 | -173.4 | 177.4 | -173.9 | -2.1 | 111.9 | I851 L852 K857 K858 I859 | I851-R855 PolarHBondContact O-N 3.07Å; L852-R855 PolarHBondContact O-N 3.4Å; R855-K857 VanDerWaalsContact C-N 3.34Å; R855-K857 PolarHBondContact O-N 3.45Å; R855-K858 PolarHBondContact O-N 2.95Å; R855-I859 WeakPolarHBondContact O-CG1 3.43Å; R855-I859 PolarHBondContact O-N 3.05Å |
| 856 | R | 80.6 | Confident | 80.5 | Confident | 196 Ų | 196 | 129.6 Ų | 129.6 | 74% | 0.74 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.3 | -42.3 | 178 | -140.1 | 179.8 | -164.3 | -177.8 | 3.7 | 111.9 | L852 R853 I859 Q860 | L852-R856 PolarHBondContact O-N 3.34Å; R853-R856 PolarHBondContact O-N 3.25Å; R856-I859 PolarHBondContact O-N 2.91Å; R856-Q860 WeakPolarHBondContact O-CB 3.41Å; R856-Q860 PolarHBondContact O-N 2.96Å |
| 857 | K | 81.3 | Confident | 80.2 | Confident | 146 Ų | 146 | 132.9 Ų | 132.9 | 64% | 0.635 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.5 | -43.5 | 174.6 | -76.9 | -168.7 | 174.2 | -165.3 | 0 | 112.7 | R853 R854 R855 Q860 Q861 | R853-K857 PolarHBondContact O-N 3.48Å; R854-K857 PolarHBondContact O-N 3.06Å; R855-K857 VanDerWaalsContact C-N 3.34Å; R855-K857 PolarHBondContact O-N 3.45Å; K857-Q860 PolarHBondContact O-N 3.25Å; K857-Q861 WeakPolarHBondContact O-CG 3.41Å; K857-Q861 PolarHBondContact O-N 3.09Å |
| 858 | K | 80.4 | Confident | 79.7 | Confident | 140 Ų | 140 | 130.5 Ų | 130.5 | 61% | 0.609 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.6 | -47.3 | 176.3 | -81.3 | -165.3 | 171.3 | -162.6 | 0 | 112.5 | R854 R855 Q860 Q861 E862 | R854-K858 PolarHBondContact O-N 3.25Å; R854-K858 VanDerWaalsContact O-N 3.09Å; R855-K858 PolarHBondContact O-N 2.95Å; K858-Q860 PolarHBondContact O-N 3.45Å; K858-Q861 PolarHBondContact O-N 3.37Å; K858-E862 PolarHBondContact O-N 3.01Å |
| 859 | I | 82.5 | Confident | 79.3 | Confident | 91 Ų | 91 | 126.2 Ų | 126.2 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -36.4 | 177.7 | -66.6 | 167.1 | 0 | 0 | 0 | 111 | R855 R856 K863 | R855-I859 WeakPolarHBondContact O-CG1 3.43Å; R855-I859 PolarHBondContact O-N 3.05Å; R856-I859 PolarHBondContact O-N 2.91Å; I859-K863 WeakPolarHBondContact O-CG 3.47Å; I859-K863 PolarHBondContact O-N 3.3Å; I859-K863 VanDerWaalsContact O-N 3.09Å |
| 860 | Q | 79.5 | Confident | 78.9 | Confident | 119 Ų | 119 | 127.6 Ų | 127.6 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.4 | -40.6 | 179 | -156.9 | 164 | -1 | 0 | 0 | 111.6 | R856 K857 K858 K863 E864 | R856-Q860 WeakPolarHBondContact O-CB 3.41Å; R856-Q860 PolarHBondContact O-N 2.96Å; K857-Q860 PolarHBondContact O-N 3.25Å; K858-Q860 PolarHBondContact O-N 3.45Å; Q860-K863 PolarHBondContact O-N 3.21Å; Q860-E864 PolarHBondContact O-N 2.93Å |
| 861 | Q | 80.9 | Confident | 78.4 | Confident | 129 Ų | 129 | 131.2 Ų | 131.2 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.1 | -41.1 | 172.8 | -73.7 | 177.3 | -34.7 | 0 | 0 | 112.6 | K857 K858 K863 E864 A865 | K857-Q861 WeakPolarHBondContact O-CG 3.41Å; K857-Q861 PolarHBondContact O-N 3.09Å; K858-Q861 PolarHBondContact O-N 3.37Å; Q861-K863 PolarHBondContact O-N 3.32Å; Q861-E864 PolarHBondContact O-N 3.5Å; Q861-A865 WeakPolarHBondContact O-CB 3.45Å; Q861-A865 PolarHBondContact O-N 3.09Å |
| 862 | E | 79.1 | Confident | 77.7 | Confident | 124 Ų | 124 | 132 Ų | 132 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -41.4 | 175.4 | -77.7 | 169.7 | -177.1 | 0 | 0 | 111.9 | K858 A865 Q866 | K858-E862 PolarHBondContact O-N 3.01Å; E862-A865 PolarHBondContact O-N 3.38Å; E862-Q866 WeakPolarHBondContact O-CG 3.45Å; E862-Q866 PolarHBondContact O-N 2.97Å |
| 863 | K | 80 | Confident | 77 | Confident | 129 Ų | 129 | 129.8 Ų | 129.8 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -37.6 | 175.4 | -77.2 | -173.4 | 176.5 | -168.8 | 0 | 113 | I859 Q860 Q861 R867 | I859-K863 WeakPolarHBondContact O-CG 3.47Å; I859-K863 PolarHBondContact O-N 3.3Å; I859-K863 VanDerWaalsContact O-N 3.09Å; Q860-K863 PolarHBondContact O-N 3.21Å; Q861-K863 PolarHBondContact O-N 3.32Å; K863-R867 WeakPolarHBondContact O-CG 3.44Å; K863-R867 PolarHBondContact O-N 3.41Å |
| 864 | E | 77.6 | Confident | 76.3 | Confident | 106 Ų | 106 | 128.8 Ų | 128.8 | 50% | 0.495 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 175 | -78.5 | 172 | -174.4 | 0 | 0 | 111.4 | Q860 Q861 Q866 R867 Q868 | Q860-E864 PolarHBondContact O-N 2.93Å; Q861-E864 PolarHBondContact O-N 3.5Å; E864-Q866 PolarHBondContact O-N 3.07Å; E864-R867 PolarHBondContact O-N 3.48Å; E864-Q868 WeakPolarHBondContact O-CG 3.42Å; E864-Q868 PolarHBondContact O-N 3.26Å |
| 865 | A | 74.8 | Confident | 75.4 | Confident | 54 Ų | 54 | 121.2 Ų | 121.2 | 45% | 0.446 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q861 E862 Q868 A869 | Q861-A865 WeakPolarHBondContact O-CB 3.45Å; Q861-A865 PolarHBondContact O-N 3.09Å; E862-A865 PolarHBondContact O-N 3.38Å; A865-Q868 PolarHBondContact O-N 2.96Å; A865-A869 PolarHBondContact O-N 3.41Å |
| 866 | Q | 77.5 | Confident | 74.6 | Confident | 139 Ų | 139 | 117.7 Ų | 117.7 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.7 | -43.9 | 174 | -79.1 | -179.4 | -19.6 | 0 | 0 | 112.3 | E862 E864 Q868 A869 E870 | E862-Q866 WeakPolarHBondContact O-CG 3.45Å; E862-Q866 PolarHBondContact O-N 2.97Å; E864-Q866 PolarHBondContact O-N 3.07Å; Q866-Q868 VanDerWaalsContact C-N 3.33Å; Q866-Q868 PolarHBondContact O-N 3.31Å; Q866-A869 PolarHBondContact O-N 3.46Å; Q866-E870 WeakPolarHBondContact O-CB 3.47Å; Q866-E870 PolarHBondContact O-N 2.99Å |
| 867 | R | 72.8 | Confident | 73.3 | Confident | 179 Ų | 179 | 114.3 Ų | 114.3 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -39.3 | 175.8 | -75.3 | 180 | -175.3 | 178.3 | -0.5 | 112.6 | K863 E864 E870 F871 | K863-R867 WeakPolarHBondContact O-CG 3.44Å; K863-R867 PolarHBondContact O-N 3.41Å; E864-R867 PolarHBondContact O-N 3.48Å; R867-E870 PolarHBondContact O-N 3Å; R867-F871 WeakPolarHBondContact O-CB 3.38Å; R867-F871 PolarHBondContact O-N 2.97Å |
| 868 | Q | 73.8 | Confident | 72.1 | Confident | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -41.1 | 176.8 | -74.4 | 179 | -12 | 0 | 0 | 111.7 | E864 A865 Q866 F871 L872 | E864-Q868 WeakPolarHBondContact O-CG 3.42Å; E864-Q868 PolarHBondContact O-N 3.26Å; A865-Q868 PolarHBondContact O-N 2.96Å; Q866-Q868 VanDerWaalsContact C-N 3.33Å; Q866-Q868 PolarHBondContact O-N 3.31Å; Q868-F871 PolarHBondContact O-N 3.32Å; Q868-L872 WeakPolarHBondContact O-CB 3.44Å; Q868-L872 WeakPolarHBondContact O-CG 3.48Å; Q868-L872 PolarHBondContact O-N 2.97Å |
| 869 | A | 72.2 | Confident | 70.8 | Confident | 60 Ų | 60 | 109.3 Ų | 109.3 | 50% | 0.496 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A865 Q866 L872 A873 | A865-A869 PolarHBondContact O-N 3.41Å; Q866-A869 PolarHBondContact O-N 3.46Å; A869-L872 PolarHBondContact O-N 2.99Å; A869-A873 PolarHBondContact O-N 3.48Å |
| 870 | E | 73.1 | Confident | 69.4 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.2 | -36.4 | 178.1 | -158.5 | -179.6 | -173.6 | 0 | 0 | 112.1 | Q866 R867 K874 | Q866-E870 WeakPolarHBondContact O-CB 3.47Å; Q866-E870 PolarHBondContact O-N 2.99Å; R867-E870 PolarHBondContact O-N 3Å; E870-K874 PolarHBondContact O-N 3.37Å |
| 871 | F | 72.8 | Confident | 67.8 | Low | 156 Ų | 156 | 105.4 Ų | 105.4 | 68% | 0.684 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | 173.7 | -172 | -93.5 | 0 | 0 | 0 | 112.1 | R867 Q868 K874 A875 | R867-F871 WeakPolarHBondContact O-CB 3.38Å; R867-F871 PolarHBondContact O-N 2.97Å; Q868-F871 PolarHBondContact O-N 3.32Å; F871-K874 PolarHBondContact O-N 3.05Å; F871-A875 PolarHBondContact O-N 3.25Å |
| 872 | L | 66.4 | Low | 66.3 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -41.1 | 176.5 | -80.7 | 163.7 | 0 | 0 | 0 | 112.1 | Q868 A869 K874 A875 V876 | Q868-L872 WeakPolarHBondContact O-CB 3.44Å; Q868-L872 WeakPolarHBondContact O-CG 3.48Å; Q868-L872 PolarHBondContact O-N 2.97Å; A869-L872 PolarHBondContact O-N 2.99Å; L872-K874 PolarHBondContact O-N 3.48Å; L872-A875 PolarHBondContact O-N 3.04Å; L872-V876 WeakPolarHBondContact O-CG2 3.39Å; L872-V876 PolarHBondContact O-N 3.36Å |
| 873 | A | 66.1 | Low | 64.4 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.4 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A869 A875 V876 D877 | A869-A873 PolarHBondContact O-N 3.48Å; A873-A875 VanDerWaalsContact C-N 3.33Å; A873-A875 PolarHBondContact O-N 3.15Å; A873-V876 PolarHBondContact O-N 3.46Å; A873-D877 PolarHBondContact O-N 2.91Å; A873-D877 VanDerWaalsContact O-N 3.15Å |
| 874 | K | 68.2 | Low | 62.6 | Low | 142 Ų | 142 | 103.1 Ų | 103.1 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.1 | -35.2 | 176.6 | -73.5 | -179 | 179.2 | 175.9 | 0 | 113.3 | E870 F871 L872 A878 | E870-K874 PolarHBondContact O-N 3.37Å; F871-K874 PolarHBondContact O-N 3.05Å; L872-K874 PolarHBondContact O-N 3.48Å; K874-A878 PolarHBondContact O-N 3.25Å; K874-A878 VanDerWaalsContact O-N 3.12Å |
| 875 | A | 62.7 | Low | 60.7 | Low | 39 Ų | 39 | 101.9 Ų | 101.9 | 32% | 0.322 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F871 L872 A873 A878 L879 | F871-A875 PolarHBondContact O-N 3.25Å; L872-A875 PolarHBondContact O-N 3.04Å; A873-A875 VanDerWaalsContact C-N 3.33Å; A873-A875 PolarHBondContact O-N 3.15Å; A875-A878 PolarHBondContact O-N 3.27Å; A875-L879 WeakPolarHBondContact O-CB 3.48Å; A875-L879 PolarHBondContact O-N 3.04Å |
| 876 | V | 63.8 | Low | 58.7 | Low | 98 Ų | 98 | 106.4 Ų | 106.4 | 59% | 0.594 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.7 | -41.6 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L872 A873 A878 L879 G880 | L872-V876 WeakPolarHBondContact O-CG2 3.39Å; L872-V876 PolarHBondContact O-N 3.36Å; A873-V876 PolarHBondContact O-N 3.46Å; V876-A878 PolarHBondContact O-N 3.4Å; V876-L879 PolarHBondContact O-N 3.12Å; V876-G880 PolarHBondContact O-N 3.49Å |
| 877 | D | 54.8 | Low | 56.5 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.6 | -40.7 | 176.1 | -75.1 | -18.7 | 0 | 0 | 0 | 112.2 | A873 L879 G880 A881 | A873-D877 PolarHBondContact O-N 2.91Å; A873-D877 VanDerWaalsContact O-N 3.15Å; D877-L879 PolarHBondContact O-N 3.3Å; D877-G880 PolarHBondContact O-N 3.22Å; D877-A881 PolarHBondContact O-N 3.5Å; D877-A881 VanDerWaalsContact O-N 3.09Å |
| 878 | A | 56 | Low | 54.5 | Low | 64 Ų | 64 | 109.6 Ų | 109.6 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K874 A875 V876 A881 A882 | K874-A878 PolarHBondContact O-N 3.25Å; K874-A878 VanDerWaalsContact O-N 3.12Å; A875-A878 PolarHBondContact O-N 3.27Å; V876-A878 PolarHBondContact O-N 3.4Å; A878-A881 PolarHBondContact O-N 3.07Å; A878-A882 PolarHBondContact O-N 3.44Å |
| 879 | L | 51.6 | Low | 52.3 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71 | -30.6 | 174.4 | -89.7 | 153.4 | 0 | 0 | 0 | 112.7 | A875 V876 D877 K883 | A875-L879 WeakPolarHBondContact O-CB 3.48Å; A875-L879 PolarHBondContact O-N 3.04Å; V876-L879 PolarHBondContact O-N 3.12Å; D877-L879 PolarHBondContact O-N 3.3Å; L879-K883 WeakPolarHBondContact O-CB 3.49Å; L879-K883 PolarHBondContact O-N 3.27Å |
| 880 | G | 52.9 | Low | 50.1 | Low | 52 Ų | 52 | 118 Ų | 118 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V876 D877 | V876-G880 PolarHBondContact O-N 3.49Å; D877-G880 PolarHBondContact O-N 3.22Å |
| 881 | A | 47.7 | Very low | 47.8 | Very low | 77 Ų | 77 | 117 Ų | 117 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.2 | -34.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D877 A878 | D877-A881 PolarHBondContact O-N 3.5Å; D877-A881 VanDerWaalsContact O-N 3.09Å; A878-A881 PolarHBondContact O-N 3.07Å |
| 882 | A | 48.9 | Very low | 45.6 | Very low | 57 Ų | 57 | 114 Ų | 114 | 47% | 0.471 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -74.4 | -25.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A878 A884 A885 | A878-A882 PolarHBondContact O-N 3.44Å; A882-A884 PolarHBondContact O-N 3.09Å; A882-A885 PolarHBondContact O-N 3.22Å; A882-A885 VanDerWaalsContact O-N 3.1Å |
| 883 | K | 39.3 | Very low | 43.6 | Very low | 178 Ų | 178 | 113.4 Ų | 113.4 | 77% | 0.774 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -9.4 | -179.3 | -105.6 | -176.7 | 175.7 | -178.7 | 0 | 115.3 | L879 | L879-K883 WeakPolarHBondContact O-CB 3.49Å; L879-K883 PolarHBondContact O-N 3.27Å |
| 884 | A | 41.6 | Very low | 41.7 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -11.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A882 | A882-A884 PolarHBondContact O-N 3.09Š|
| 885 | A | 38.2 | Very low | 39.6 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -7.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A882 | A882-A885 PolarHBondContact O-N 3.22Å; A882-A885 VanDerWaalsContact O-N 3.1Å |
| 886 | D | 31.8 | Very low | 37.9 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -132.6 | 49.9 | -171.6 | -92.4 | -30.3 | 0 | 0 | 0 | 114.8 | K888 | D886-K888 VanDerWaalsContact C-N 3.3Å; D886-K888 PolarHBondContact O-N 3.18Å | ||
| 887 | E | 32.9 | Very low | 36.1 | Very low | 191 Ų | 191 | 118 Ų | 118 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | -82.4 | 73.3 | 156.3 | -83.7 | -163.5 | 158.2 | 0 | 0 | 110.8 | ||||
| 888 | K | 30.1 | Very low | 35 | Very low | 195 Ų | 195 | 119.3 Ų | 119.3 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -156.6 | 84.8 | 153.2 | -112.4 | 168.8 | -169.8 | 178.3 | 0 | 112.6 | D886 | D886-K888 VanDerWaalsContact C-N 3.3Å; D886-K888 PolarHBondContact O-N 3.18Å | ||
| 889 | K | 27.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 123.8 Ų | 123.8 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | trans | 51.5 | 119.1 | 141.9 | -78.7 | 179.4 | 175.9 | 172.7 | 0 | 120.5 | ||||
| 890 | K | 26.1 | Very low | 32.5 | Very low | 190 Ų | 190 | 123.5 Ų | 123.5 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | 66.6 | 136.6 | 130 | -71 | -176.9 | 175.8 | -174.3 | 0 | 116.6 | |||||
| 891 | S | 25.5 | Very low | 31.6 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | cis | -174.2 | 170.9 | 22.4 | 35.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 892 | S | 25.5 | Very low | 30.7 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | 70 | 100.9 | 146.9 | 50.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 893 | S | 25.3 | Very low | 29.7 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | 68.7 | 114.6 | 91 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 894 | T | 25.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | 173.1 | 132.5 | 98.9 | 25.3 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 895 | S | 24.8 | Very low | 28.6 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 102.8 | 121.2 | 78.2 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 896 | S | 26.3 | Very low | 28.9 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 61.3 | 149.2 | 148 | 60.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 897 | S | 27 | Very low | 28.8 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -171.4 | 150.2 | 39.8 | 18.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 898 | D | 31.6 | Very low | 29.1 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 120.9 | 138.7 | -51.4 | -19.3 | 0 | 0 | 0 | 120.3 | ||||
| 899 | L | 27 | Very low | 29 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | cis | 75.1 | 120.4 | 25.7 | -110.6 | 161.5 | 0 | 0 | 0 | 116.9 | ||||
| 900 | V | 27.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 87.4 | 115.1 | 154.1 | -162.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 901 | T | 32.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | -153.7 | 111.5 | 123.5 | 0.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 902 | A | 29.6 | Very low | 30 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -78.3 | 130.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 903 | G | 28.5 | Very low | 30.1 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -139.3 | 103.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 904 | G | 29.1 | Very low | 30.3 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 71.1 | 100.7 | 134 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 905 | I | 28.7 | Very low | 30.7 | Very low | 168 Ų | 168 | 124 Ų | 124 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 152.7 | 165.2 | -68.7 | 169.1 | 0 | 0 | 0 | 110.8 | ||||
| 906 | P | 44.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -74.7 | 158.4 | 177.9 | 32.6 | -39.1 | 0 | 0 | 0 | 113.4 | ||||
| 907 | N | 28.9 | Very low | 31.6 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -140 | 114.8 | 156.3 | -125 | -2.2 | 0 | 0 | 0 | 111.7 | ||||
| 908 | P | 38.9 | Very low | 31.6 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 140.3 | 168.6 | 34.5 | -26.7 | 0 | 0 | 0 | 110 | ||||
| 909 | N | 28.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -153.9 | 95.5 | 152.8 | -137 | -1.9 | 0 | 0 | 0 | 112.3 | N911 | N909-N911 PolarHBondContact O-N 3.1Š| ||
| 910 | P | 36.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -86.6 | 83.3 | 159.1 | 33.2 | -23.8 | 0 | 0 | 0 | 107.7 | ||||
| 911 | N | 30.8 | Very low | 32.1 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | -128.9 | 98.4 | 169.5 | -99.5 | -5.3 | 0 | 0 | 0 | 107.8 | N909 | N909-N911 PolarHBondContact O-N 3.1Š| ||
| 912 | Q | 32.3 | Very low | 32.1 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -157.5 | 71.7 | 149.7 | -109.3 | 169.9 | 17.4 | 0 | 0 | 109 | ||||
| 913 | T | 27.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | trans | -68 | 123.7 | 145.2 | -18.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 914 | N | 30.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | 162.1 | 112.9 | 118.6 | -79 | -14.2 | 0 | 0 | 0 | 111 | |||||
| 915 | P | 34.6 | Very low | 32.7 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 162.9 | 162.3 | 34 | -30.5 | 0 | 0 | 0 | 110.4 | ||||
| 916 | P | 38.4 | Very low | 33 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -85.2 | 150.9 | -152.9 | 33.7 | -34.6 | 0 | 0 | 0 | 114.1 | ||||
| 917 | D | 29.6 | Very low | 32.1 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 47.4 | 92.5 | 142.1 | -56.5 | -22.1 | 0 | 0 | 0 | 118.1 | ||||
| 918 | Q | 28.2 | Very low | 32.3 | Very low | 275 Ų | 275 | 143.4 Ų | 143.4 | 100% | 1.285 | 79% | 0.792 | S | S | * | * | 170.6 | 0 | 117.5 | -91.7 | 177.6 | 0.6 | 0 | 0 | 111.3 |
Retrieved 918 of 918 residues in 315.1 ms
(Link to these results)