| 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 | 46.8 | Very low | 65 | Low | 201 Ų | 201 | 117.8 Ų | 117.8 | 99% | 0.99 | 60% | 0.597 | S | S | * | * | 0 | -72.1 | 0 | -159.9 | 172.7 | -174.7 | 0 | 0 | 112.4 | L3 G4 I5 | M1-L3 PolarHBondContact O-N 3.27Å; M1-G4 WeakPolarHBondContact O-CA 3.33Å; M1-G4 PolarHBondContact O-N 3.16Å; M1-I5 HydrophobicContact CE-CD1 4.36Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 PolarHBondContact O-N 3.44Å; M1-I5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | L | 51.1 | Low | 65.4 | Low | 144 Ų | 144 | 123.1 Ų | 123.1 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -47.6 | -46.6 | -175.9 | -87.8 | 162.5 | 0 | 0 | 0 | 115.4 | G4 I5 F6 | L2-G4 VanDerWaalsContact C-N 3.33Å; L2-G4 PolarHBondContact O-N 3.08Å; L2-I5 PolarHBondContact O-N 3.44Å; L2-F6 PolarHBondContact O-N 3.07Å |
| 3 | L | 58.8 | Low | 65.7 | Low | 132 Ų | 132 | 118.8 Ų | 118.8 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.2 | -40 | 175.1 | -102.2 | 137.1 | 0 | 0 | 0 | 113.2 | M1 F6 F7 | M1-L3 PolarHBondContact O-N 3.27Å; L3-F6 PolarHBondContact O-N 3.11Å; L3-F7 HydrophobicContact CD2-CD2 4.46Å; L3-F7 HydrophobicContact CD2-CE2 4.13Å; L3-F7 WeakPolarHBondContact O-CD2 2.84Å; L3-F7 PolarHBondContact O-N 3.44Å |
| 4 | G | 65.9 | Low | 64.9 | Low | 40 Ų | 40 | 119.1 Ų | 119.1 | 41% | 0.412 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 L2 F6 F7 T8 | M1-G4 WeakPolarHBondContact O-CA 3.33Å; M1-G4 PolarHBondContact O-N 3.16Å; L2-G4 VanDerWaalsContact C-N 3.33Å; L2-G4 PolarHBondContact O-N 3.08Å; G4-F6 VanDerWaalsContact C-N 3.29Å; G4-F6 PolarHBondContact O-N 2.8Å; G4-F7 PolarHBondContact O-N 3.24Å; G4-T8 PolarHBondContact O-N 2.69Å; G4-T8 PolarHBondContact O-OG1 3.36Å |
| 5 | I | 75.6 | Confident | 64.9 | Low | 82 Ų | 82 | 116.7 Ų | 116.7 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.5 | -41.1 | 174.1 | -61.4 | 170.8 | 0 | 0 | 0 | 110.5 | M1 L2 T8 Y9 | M1-I5 HydrophobicContact CE-CD1 4.36Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 PolarHBondContact O-N 3.44Å; M1-I5 VanDerWaalsContact O-N 3.1Å; L2-I5 PolarHBondContact O-N 3.44Å; I5-T8 WeakPolarHBondContact CA-OG1 3.46Å; I5-T8 PolarHBondContact O-N 3.09Å; I5-T8 PolarHBondContact O-OG1 3.23Å; I5-Y9 VanDerWaalsContact O-CB 3.24Å; I5-Y9 WeakPolarHBondContact O-CB 3.2Å; I5-Y9 PolarHBondContact O-N 2.96Å |
| 6 | F | 66 | Low | 63.7 | Low | 143 Ų | 143 | 113.6 Ų | 113.6 | 63% | 0.627 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -41.6 | 176.5 | -125.4 | -87.9 | 0 | 0 | 0 | 112.3 | L2 L3 G4 Q10 | L2-F6 PolarHBondContact O-N 3.07Å; L3-F6 PolarHBondContact O-N 3.11Å; G4-F6 VanDerWaalsContact C-N 3.29Å; G4-F6 PolarHBondContact O-N 2.8Å; F6-Q10 HydrophobicContact CD1-CG 4.43Å; F6-Q10 WeakPolarHBondContact O-CB 3.36Å; F6-Q10 WeakPolarHBondContact O-CG 3.41Å; F6-Q10 PolarHBondContact O-N 2.97Å |
| 7 | F | 68.3 | Low | 63 | Low | 130 Ų | 130 | 113.7 Ų | 113.7 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.6 | -45.6 | 174.5 | -91.7 | -74.3 | 0 | 0 | 0 | 112.2 | L3 G4 Y9 Q10 V11 | L3-F7 HydrophobicContact CD2-CD2 4.46Å; L3-F7 HydrophobicContact CD2-CE2 4.13Å; L3-F7 WeakPolarHBondContact O-CD2 2.84Å; L3-F7 PolarHBondContact O-N 3.44Å; G4-F7 PolarHBondContact O-N 3.24Å; F7-Y9 VanDerWaalsContact C-N 3.33Å; F7-Y9 PolarHBondContact O-N 2.78Å; F7-Q10 PolarHBondContact O-N 2.83Å; F7-V11 WeakPolarHBondContact O-CB 3.33Å; F7-V11 VanDerWaalsContact O-CG2 3.29Å; F7-V11 WeakPolarHBondContact O-CG2 3.32Å; F7-V11 PolarHBondContact O-N 2.87Å |
| 8 | T | 71.9 | Confident | 62.1 | Low | 92 Ų | 92 | 116 Ų | 116 | 56% | 0.564 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 176.9 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | G4 I5 V11 W12 | G4-T8 PolarHBondContact O-N 2.69Å; G4-T8 PolarHBondContact O-OG1 3.36Å; I5-T8 WeakPolarHBondContact CA-OG1 3.46Å; I5-T8 PolarHBondContact O-N 3.09Å; I5-T8 PolarHBondContact O-OG1 3.23Å; T8-V11 PolarHBondContact O-N 2.97Å; T8-W12 WeakPolarHBondContact O-CB 3.44Å; T8-W12 PolarHBondContact O-N 3.49Å |
| 9 | Y | 71.1 | Confident | 61.1 | Low | 166 Ų | 166 | 117.3 Ų | 117.3 | 65% | 0.651 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.6 | -35.6 | 179.4 | -152.3 | -94.4 | 0 | 0 | 0 | 112.3 | I5 F7 I13 | I5-Y9 VanDerWaalsContact O-CB 3.24Å; I5-Y9 WeakPolarHBondContact O-CB 3.2Å; I5-Y9 PolarHBondContact O-N 2.96Å; F7-Y9 VanDerWaalsContact C-N 3.33Å; F7-Y9 PolarHBondContact O-N 2.78Å; Y9-I13 HydrophobicContact CD1-CD1 3.61Å; Y9-I13 HydrophobicContact CD1-CG1 4.29Å; Y9-I13 HydrophobicContact CE1-CD1 3.73Å; Y9-I13 HydrophobicContact CE1-CG1 4.38Å; Y9-I13 WeakPolarHBondContact O-CB 3.33Å; Y9-I13 VanDerWaalsContact O-CG1 3.27Å; Y9-I13 WeakPolarHBondContact O-CG1 3.49Å; Y9-I13 PolarHBondContact O-N 2.77Å |
| 10 | Q | 68.1 | Low | 60.2 | Low | 86 Ų | 86 | 115 Ų | 115 | 40% | 0.402 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -46 | 169.7 | -75.4 | -72.7 | -23.9 | 0 | 0 | 111.3 | F6 F7 W12 I13 F14 | F6-Q10 HydrophobicContact CD1-CG 4.43Å; F6-Q10 WeakPolarHBondContact O-CB 3.36Å; F6-Q10 WeakPolarHBondContact O-CG 3.41Å; F6-Q10 PolarHBondContact O-N 2.97Å; F7-Q10 PolarHBondContact O-N 2.83Å; Q10-W12 VanDerWaalsContact C-N 3.34Å; Q10-W12 PolarHBondContact O-N 2.92Å; Q10-I13 PolarHBondContact O-N 3.19Å; Q10-F14 WeakPolarHBondContact O-CB 3.45Å; Q10-F14 WeakPolarHBondContact O-CD2 3.4Å; Q10-F14 PolarHBondContact O-N 2.92Å |
| 11 | V | 71.9 | Confident | 59.7 | Low | 80 Ų | 80 | 113 Ų | 113 | 49% | 0.485 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.6 | -41.3 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | F7 T8 F14 I15 | F7-V11 WeakPolarHBondContact O-CB 3.33Å; F7-V11 VanDerWaalsContact O-CG2 3.29Å; F7-V11 WeakPolarHBondContact O-CG2 3.32Å; F7-V11 PolarHBondContact O-N 2.87Å; T8-V11 PolarHBondContact O-N 2.97Å; V11-F14 PolarHBondContact O-N 3.26Å; V11-I15 HydrophobicContact CG1-CD1 3.78Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.26Å; V11-I15 PolarHBondContact O-N 2.85Å |
| 12 | W | 69.8 | Low | 60.3 | Low | 181 Ų | 181 | 105 Ų | 105 | 69% | 0.686 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 174.4 | -126.2 | 69.4 | 0 | 0 | 0 | 112.3 | T8 Q10 F14 I15 C16 | T8-W12 WeakPolarHBondContact O-CB 3.44Å; T8-W12 PolarHBondContact O-N 3.49Å; Q10-W12 VanDerWaalsContact C-N 3.34Å; Q10-W12 PolarHBondContact O-N 2.92Å; W12-F14 VanDerWaalsContact C-N 3.34Å; W12-F14 PolarHBondContact O-N 2.78Å; W12-I15 PolarHBondContact O-N 3.39Å; W12-C16 PolarHBondContact O-N 3.48Å; W12-C16 PolarHBondContact O-SG 2.78Å; W12-C16 VanDerWaalsContact O-SG 3.33Å |
| 13 | I | 68.3 | Low | 61.5 | Low | 68 Ų | 68 | 101.7 Ų | 101.7 | 35% | 0.349 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 173.8 | -73.6 | 168.8 | 0 | 0 | 0 | 111.4 | Y9 Q10 I17 | Y9-I13 HydrophobicContact CD1-CD1 3.61Å; Y9-I13 HydrophobicContact CD1-CG1 4.29Å; Y9-I13 HydrophobicContact CE1-CD1 3.73Å; Y9-I13 HydrophobicContact CE1-CG1 4.38Å; Y9-I13 WeakPolarHBondContact O-CB 3.33Å; Y9-I13 VanDerWaalsContact O-CG1 3.27Å; Y9-I13 WeakPolarHBondContact O-CG1 3.49Å; Y9-I13 PolarHBondContact O-N 2.77Å; Q10-I13 PolarHBondContact O-N 3.19Å; I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.49Å; I13-I17 WeakPolarHBondContact O-CB 3.49Å; I13-I17 WeakPolarHBondContact O-CD1 3.47Å; I13-I17 WeakPolarHBondContact O-CG1 3.33Å; I13-I17 PolarHBondContact O-N 2.89Å |
| 14 | F | 55.2 | Low | 62.4 | Low | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176 | -95.1 | -88.3 | 0 | 0 | 0 | 111.6 | Q10 V11 W12 I17 F18 | Q10-F14 WeakPolarHBondContact O-CB 3.45Å; Q10-F14 WeakPolarHBondContact O-CD2 3.4Å; Q10-F14 PolarHBondContact O-N 2.92Å; V11-F14 PolarHBondContact O-N 3.26Å; W12-F14 VanDerWaalsContact C-N 3.34Å; W12-F14 PolarHBondContact O-N 2.78Å; F14-I17 PolarHBondContact O-N 2.78Å; F14-F18 HydrophobicContact CD1-CD2 4.17Å; F14-F18 AromaticContact CD1-CE2 3.93Å; F14-F18 HydrophobicContact CD1-CE2 3.93Å; F14-F18 HydrophobicContact CE1-CE2 4.28Å; F14-F18 WeakPolarHBondContact O-CB 3.37Å; F14-F18 WeakPolarHBondContact O-CD2 3.47Å; F14-F18 PolarHBondContact O-N 2.72Å |
| 15 | I | 64.1 | Low | 63.2 | Low | 82 Ų | 82 | 102.9 Ų | 102.9 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -57.4 | 173.1 | -69.7 | 164.6 | 0 | 0 | 0 | 109.5 | V11 W12 I17 F18 E19 | V11-I15 HydrophobicContact CG1-CD1 3.78Å; V11-I15 HydrophobicContact CG1-CG1 4.41Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.26Å; V11-I15 PolarHBondContact O-N 2.85Å; W12-I15 PolarHBondContact O-N 3.39Å; I15-I17 PolarHBondContact O-N 2.03Å; I15-F18 CarbonylContact O-C 3.57Å; I15-F18 PolarHBondContact O-N 2.92Å; I15-E19 VanDerWaalsContact O-CB 3.24Å; I15-E19 WeakPolarHBondContact O-CB 3.47Å; I15-E19 PolarHBondContact O-N 3.33Å |
| 16 | C | 46.9 | Very low | 63.2 | Low | 67 Ų | 67 | 101.3 Ų | 101.3 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -7.7 | -178.9 | -59.5 | 0 | 0 | 0 | 0 | 115.2 | W12 | W12-C16 PolarHBondContact O-N 3.48Å; W12-C16 PolarHBondContact O-SG 2.78Å; W12-C16 VanDerWaalsContact O-SG 3.33Å |
| 17 | I | 50.5 | Low | 63.8 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -97.4 | -25.8 | 170.8 | -72.4 | 172.5 | 0 | 0 | 0 | 111.9 | I13 F14 I15 | I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.49Å; I13-I17 WeakPolarHBondContact O-CB 3.49Å; I13-I17 WeakPolarHBondContact O-CD1 3.47Å; I13-I17 WeakPolarHBondContact O-CG1 3.33Å; I13-I17 PolarHBondContact O-N 2.89Å; F14-I17 PolarHBondContact O-N 2.78Å; I15-I17 PolarHBondContact O-N 2.03Å |
| 18 | F | 47.6 | Very low | 64.2 | Low | 155 Ų | 155 | 88.6 Ų | 88.6 | 68% | 0.68 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -99.2 | -7.8 | 176.2 | -83.4 | -88.9 | 0 | 0 | 0 | 113.9 | F14 I15 A20 | F14-F18 HydrophobicContact CD1-CD2 4.17Å; F14-F18 AromaticContact CD1-CE2 3.93Å; F14-F18 HydrophobicContact CD1-CE2 3.93Å; F14-F18 HydrophobicContact CE1-CE2 4.28Å; F14-F18 WeakPolarHBondContact O-CB 3.37Å; F14-F18 WeakPolarHBondContact O-CD2 3.47Å; F14-F18 PolarHBondContact O-N 2.72Å; I15-F18 CarbonylContact O-C 3.57Å; I15-F18 PolarHBondContact O-N 2.92Å; F18-A20 PolarHBondContact O-N 2.88Å |
| 19 | E | 42.9 | Very low | 64.2 | Low | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | trans | -79.7 | 6.4 | 172.4 | -164.5 | 167.1 | -141.3 | 0 | 0 | 112.5 | I15 S21 | I15-E19 VanDerWaalsContact O-CB 3.24Å; I15-E19 WeakPolarHBondContact O-CB 3.47Å; I15-E19 PolarHBondContact O-N 3.33Å; E19-S21 PolarHBondContact O-N 3.44Å | ||
| 20 | A | 43.9 | Very low | 64.3 | Low | 71 Ų | 71 | 82 Ų | 82 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | trans | -84 | 70.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | F18 | F18-A20 PolarHBondContact O-N 2.88Š| ||
| 21 | S | 48.9 | Very low | 64.8 | Low | 73 Ų | 73 | 82 Ų | 82 | 51% | 0.51 | 42% | 0.415 | S | S | . | . | trans | -77.6 | 116.6 | 163.2 | 51 | 0 | 0 | 0 | 0 | 108.2 | E19 D23 | E19-S21 PolarHBondContact O-N 3.44Å; S21-D23 PolarHBondContact O-N 2.83Å; S21-D23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | A | 59.8 | Low | 65.2 | Low | 34 Ų | 34 | 80.8 Ų | 80.8 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | trans | -62.3 | 112.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E126 Y127 | A22-E126 HydrophobicContact CB-CG 3.81Å; A22-E126 WeakPolarHBondContact CB-OE1 3.37Å; A22-Y127 CarbonylContact C-O 3.55Å; A22-Y127 WeakPolarHBondContact CA-O 3.34Å | ||
| 23 | D | 76.2 | Confident | 65.9 | Low | 73 Ų | 73 | 72.2 Ų | 72.2 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 149.7 | 175.2 | -74.5 | -36.6 | 0 | 0 | 0 | 108.4 | S21 Y127 | S21-D23 PolarHBondContact O-N 2.83Å; S21-D23 VanDerWaalsContact O-N 3.08Å; D23-Y127 HydrophobicContact CB-CD1 4.49Å; D23-Y127 HydrophobicContact CB-CD2 4.19Å; D23-Y127 HydrophobicContact CB-CE1 3.94Å; D23-Y127 HydrophobicContact CB-CE2 3.58Å; D23-Y127 VanDerWaalsContact CB-CZ 3.45Å; D23-Y127 PolarHBondContact N-O 3.15Å; D23-Y127 VanDerWaalsContact O-CD1 3.3Å; D23-Y127 WeakPolarHBondContact O-CD1 3.5Å; D23-Y127 PolarHBondContact O-N 3.22Å |
| 24 | W | 78.5 | Confident | 66.7 | Low | 159 Ų | 159 | 72.8 Ų | 72.8 | 60% | 0.602 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.7 | 176.4 | 59.8 | -88.4 | 0 | 0 | 0 | 111.1 | L26 F124 V125 | W24-L26 HydrophobicContact CZ3-CB 4.27Å; W24-F124 HydrophobicContact CB-CE2 3.69Å; W24-F124 HydrophobicContact CB-CZ 4.02Å; W24-F124 HydrophobicContact CD2-CE2 4.23Å; W24-F124 HydrophobicContact CE3-CD2 4.48Å; W24-F124 HydrophobicContact CE3-CE2 4.21Å; W24-F124 HydrophobicContact CG-CE2 4.03Å; W24-V125 CarbonylContact C-O 3.55Å; W24-V125 WeakPolarHBondContact CA-O 3.39Å |
| 25 | E | 81.7 | Confident | 68.3 | Low | 38 Ų | 38 | 67 Ų | 67 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.7 | 175.2 | -167 | -177.9 | 163.2 | 0 | 0 | 109.7 | L33 H34 I35 V125 Y127 | E25-L33 HydrophobicContact CB-CD1 3.99Å; E25-L33 VanDerWaalsContact CD-CD1 3.43Å; E25-L33 HydrophobicContact CG-CD1 3.84Å; E25-L33 WeakPolarHBondContact OE2-CD1 3.02Å; E25-H34 PolarHBondContact OE1-N 3.42Å; E25-H34 PolarHBondContact OE2-N 2.87Å; E25-I35 WeakPolarHBondContact OE2-CG1 3.05Å; E25-I35 PolarHBondContact OE2-N 3.02Å; E25-V125 PolarHBondContact N-O 3.45Å; E25-V125 PolarHBondContact O-N 3.39Å; E25-Y127 HydrophobicContact CB-CE1 4.13Å |
| 26 | L | 75.7 | Confident | 69.5 | Low | 49 Ų | 49 | 69.2 Ų | 69.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.7 | 173 | -164.9 | 81.2 | 0 | 0 | 0 | 108.6 | W24 F53 L123 F124 | W24-L26 HydrophobicContact CZ3-CB 4.27Å; L26-F53 HydrophobicContact CD1-CB 3.9Å; L26-F53 HydrophobicContact CD1-CD2 3.73Å; L26-F53 HydrophobicContact CD1-CG 4.14Å; L26-L123 WeakPolarHBondContact CA-O 3.19Å; L26-F124 HydrophobicContact CD1-CB 4.08Å; L26-F124 HydrophobicContact CD1-CD2 4.49Å |
| 27 | S | 78.8 | Confident | 71.4 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.9 | 179 | -180 | 0 | 0 | 0 | 0 | 110.8 | E31 L123 | S27-E31 WeakPolarHBondContact OG-CB 3.32Å; S27-L123 PolarHBondContact N-O 3.01Å; S27-L123 VanDerWaalsContact N-O 3.09Å; S27-L123 PolarHBondContact O-N 3.22Å |
| 28 | C | 77 | Confident | 73.1 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 156.2 | -176 | -38.6 | 0 | 0 | 0 | 0 | 111.2 | N30 E31 C66 V96 | C28-N30 PolarHBondContact O-N 3.41Å; C28-E31 HydrophobicContact CB-CG 3.92Å; C28-E31 WeakPolarHBondContact CB-OE2 3.42Å; C28-E31 PolarHBondContact N-OE2 3.21Å; C28-E31 VanDerWaalsContact O-CB 3.32Å; C28-E31 WeakPolarHBondContact O-CB 3.49Å; C28-E31 PolarHBondContact O-N 3.45Å; C28-E31 PolarHBondContact SG-OE2 3.27Å; C28-C66 WeakPolarHBondContact CA-SG 3.12Å; C28-C66 HydrophobicContact CB-CB 4.01Å; C28-C66 WeakPolarHBondContact CB-SG 3.49Å; C28-C66 PolarHBondContact N-SG 3.29Å; C28-C66 WeakPolarHBondContact SG-CA 3.21Å; C28-C66 WeakPolarHBondContact SG-CB 3.05Å; C28-C66 PolarHBondContact SG-N 3.33Å; C28-C66 CovalentContact SG-SG 2.03Å; C28-C66 PolarHBondContact SG-SG 3.17Å; C28-V96 WeakPolarHBondContact O-CB 3.31Å |
| 29 | Y | 72 | Confident | 74.8 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 134.4 | 173.6 | -169.8 | -84.5 | 0 | 0 | 0 | 110.8 | E31 F50 L107 P121 | Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-F50 HydrophobicContact CD2-CE1 4.06Å; Y29-L107 HydrophobicContact CD2-CD1 4.17Å; Y29-L107 HydrophobicContact CE2-CD1 3.81Å; Y29-P121 VanDerWaalsContact CB-O 3.22Å; Y29-P121 WeakPolarHBondContact CB-O 3.42Å; Y29-P121 HydrophobicContact CD2-CG 3.96Å; Y29-P121 HydrophobicContact CG-CG 3.98Å; Y29-P121 PolarHBondContact N-O 2.92Å |
| 30 | N | 72.6 | Confident | 76.8 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -10.1 | -167.2 | -47.4 | -55.5 | 0 | 0 | 0 | 117.5 | C28 V96 H97 | C28-N30 PolarHBondContact O-N 3.41Å; N30-V96 PolarHBondContact N-O 2.81Å; N30-H97 PolarHBondContact OD1-CE1 3.16Å; N30-H97 VanDerWaalsContact OD1-CE1 3.29Å; N30-H97 PolarHBondContact OD1-ND1 2.82Å; N30-H97 VanDerWaalsContact OD1-ND1 3.14Å |
| 31 | E | 78.7 | Confident | 78.8 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -76.8 | -175 | 169.3 | -63.7 | -168.7 | 134.8 | 0 | 0 | 111.6 | S27 C28 Y29 S95 V96 | S27-E31 WeakPolarHBondContact OG-CB 3.32Å; C28-E31 HydrophobicContact CB-CG 3.92Å; C28-E31 WeakPolarHBondContact CB-OE2 3.42Å; C28-E31 PolarHBondContact N-OE2 3.21Å; C28-E31 VanDerWaalsContact O-CB 3.32Å; C28-E31 WeakPolarHBondContact O-CB 3.49Å; C28-E31 PolarHBondContact O-N 3.45Å; C28-E31 PolarHBondContact SG-OE2 3.27Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; E31-S95 CarbonylContact O-C 3.56Å; E31-S95 WeakPolarHBondContact O-CA 3.39Å; E31-V96 PolarHBondContact O-N 2.85Å |
| 32 | S | 79.7 | Confident | 80.4 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.1 | 175.2 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | H34 T94 | S32-H34 PolarHBondContact O-ND1 2.92Å; S32-H34 PolarHBondContact OG-CE1 3.38Å; S32-T94 CarbonylContact C-O 3.57Å; S32-T94 WeakPolarHBondContact CA-O 3.47Å |
| 33 | L | 84.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 137.9 | 169.4 | -171.1 | 78.9 | 0 | 0 | 0 | 110.2 | E25 I35 I82 K93 T94 V96 L123 V125 | E25-L33 HydrophobicContact CB-CD1 3.99Å; E25-L33 VanDerWaalsContact CD-CD1 3.43Å; E25-L33 HydrophobicContact CG-CD1 3.84Å; E25-L33 WeakPolarHBondContact OE2-CD1 3.02Å; L33-I35 HydrophobicContact CD2-CD1 4.01Å; L33-I35 HydrophobicContact CD2-CG1 4.3Å; L33-I35 HydrophobicContact CG-CD1 4.43Å; L33-I35 HydrophobicContact CG-CG1 4.19Å; L33-I82 HydrophobicContact CD2-CG2 4.08Å; L33-K93 WeakPolarHBondContact O-CA 3.22Å; L33-T94 HydrophobicContact CB-CG2 4Å; L33-T94 HydrophobicContact CD2-CG2 3.93Å; L33-T94 PolarHBondContact N-O 3.1Å; L33-T94 PolarHBondContact O-N 3.03Å; L33-V96 HydrophobicContact CB-CG2 4Å; L33-L123 HydrophobicContact CD1-CD2 4.41Å; L33-L123 HydrophobicContact CD2-CD2 4.31Å; L33-V125 HydrophobicContact CD1-CB 4.41Å; L33-V125 HydrophobicContact CD1-CG2 3.77Å; L33-V125 HydrophobicContact CD2-CG2 3.93Å |
| 34 | H | 86.4 | Confident | 82 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 38% | 0.375 | 27% | 0.274 | S | S | . | . | trans | -138.3 | 34.6 | -162.3 | -89.3 | 12.3 | 0 | 0 | 0 | 115 | E25 S32 H36 K93 | E25-H34 PolarHBondContact OE1-N 3.42Å; E25-H34 PolarHBondContact OE2-N 2.87Å; S32-H34 PolarHBondContact O-ND1 2.92Å; S32-H34 PolarHBondContact OG-CE1 3.38Å; H34-H36 PolarHBondContact O-N 3.18Å; H34-K93 PolarHBondContact CD2-NZ 3.22Å; H34-K93 PolarHBondContact NE2-NZ 2.77Å | ||
| 35 | I | 88 | Confident | 82.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -50.8 | 129.8 | 173.7 | -52 | 174.8 | 0 | 0 | 0 | 112.2 | E25 L33 I43 I45 V91 C92 V125 Y127 | E25-I35 WeakPolarHBondContact OE2-CG1 3.05Å; E25-I35 PolarHBondContact OE2-N 3.02Å; L33-I35 HydrophobicContact CD2-CD1 4.01Å; L33-I35 HydrophobicContact CD2-CG1 4.3Å; L33-I35 HydrophobicContact CG-CD1 4.43Å; L33-I35 HydrophobicContact CG-CG1 4.19Å; I35-I43 HydrophobicContact CB-CD1 3.89Å; I35-I43 HydrophobicContact CD1-CG2 4.32Å; I35-I43 HydrophobicContact CG2-CB 4.47Å; I35-I43 HydrophobicContact CG2-CD1 3.51Å; I35-I43 HydrophobicContact CG2-CG1 3.62Å; I35-I43 HydrophobicContact CG2-CG2 4Å; I35-I45 HydrophobicContact CD1-CD1 3.65Å; I35-V91 WeakPolarHBondContact O-CA 3.38Å; I35-C92 HydrophobicContact CB-CB 4.24Å; I35-C92 PolarHBondContact N-O 2.83Å; I35-C92 PolarHBondContact O-N 3.37Å; I35-V125 HydrophobicContact CD1-CG1 4.07Å; I35-Y127 HydrophobicContact CD1-CD1 3.84Å; I35-Y127 HydrophobicContact CD1-CE1 4.22Å; I35-Y127 HydrophobicContact CD1-CG 4.14Å; I35-Y127 HydrophobicContact CG1-CD1 4.11Å; I35-Y127 HydrophobicContact CG1-CE1 3.96Å; I35-Y127 HydrophobicContact CG2-CD1 4.26Å; I35-Y127 HydrophobicContact CG2-CD2 3.65Å; I35-Y127 HydrophobicContact CG2-CE1 4.07Å; I35-Y127 HydrophobicContact CG2-CE2 3.43Å; I35-Y127 VanDerWaalsContact CG2-CE2 3.43Å; I35-Y127 HydrophobicContact CG2-CG 4.07Å | ||
| 36 | H | 88.7 | Confident | 82 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 59% | 0.593 | 25% | 0.254 | S | S | * | . | B | Isolated β-bridge | trans | -142.1 | 109.8 | -179.8 | -177.3 | -59.7 | 0 | 0 | 0 | 112.6 | H34 V91 | H34-H36 PolarHBondContact O-N 3.18Å; H36-V91 HydrophobicContact CB-CG1 4.47Å; H36-V91 VanDerWaalsContact CD2-CG2 3.46Å; H36-V91 WeakPolarHBondContact CD2-CG2 3.38Å |
| 37 | C | 88 | Confident | 82.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -93.7 | 167.9 | 170.3 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | K41 I43 S90 C129 | C37-K41 HydrophobicContact CB-CB 4.02Å; C37-I43 HydrophobicContact CB-CG1 4.45Å; C37-I43 WeakPolarHBondContact SG-CG1 3.05Å; C37-S90 WeakPolarHBondContact CB-O 3.46Å; C37-S90 PolarHBondContact N-O 3.1Å; C37-C129 VanDerWaalsContact CA-SG 3.51Å; C37-C129 HydrophobicContact CB-CB 3.71Å; C37-C129 WeakPolarHBondContact CB-SG 3.32Å; C37-C129 WeakPolarHBondContact SG-CA 3.3Å; C37-C129 WeakPolarHBondContact SG-CB 3.4Å; C37-C129 CovalentContact SG-SG 2.03Å; C37-C129 PolarHBondContact SG-SG 3.29Å | ||
| 38 | D | 85.7 | Confident | 82.4 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | trans | -56.9 | 150.5 | 166.6 | -63.2 | -60 | 0 | 0 | 0 | 111.5 | E40 K41 | D38-E40 PolarHBondContact O-N 2.91Å; D38-E40 VanDerWaalsContact O-N 3.11Å; D38-K41 HydrophobicContact CB-CB 4.37Å; D38-K41 HydrophobicContact CB-CD 3.96Å; D38-K41 HydrophobicContact CB-CG 4.18Å; D38-K41 CarbonylContact O-C 3.49Å; D38-K41 WeakPolarHBondContact O-CA 3.4Å; D38-K41 PolarHBondContact O-N 2.04Å; D38-K41 WeakPolarHBondContact OD2-CD 3.28Å; D38-K41 WeakPolarHBondContact OD2-CE 3.24Å; D38-K41 IonicContact OD2-NZ 2.75Å; D38-K41 PolarHBondContact OD2-NZ 3.14Å | ||
| 39 | P | 83.5 | Confident | 82.5 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.7 | 179.7 | 26.5 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 40 | E | 84.6 | Confident | 82.9 | Confident | 154 Ų | 154 | 51 Ų | 51 | 72% | 0.72 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.7 | 173.4 | -61.9 | -174.7 | -178.6 | 0 | 0 | 113.2 | D38 T132 | D38-E40 PolarHBondContact O-N 2.91Å; D38-E40 VanDerWaalsContact O-N 3.11Å; E40-T132 WeakPolarHBondContact O-CB 3.39Å; E40-T132 VanDerWaalsContact O-CG2 3.26Å; E40-T132 WeakPolarHBondContact O-CG2 3.15Å; E40-T132 PolarHBondContact O-N 2.84Å; E40-T132 PolarHBondContact O-OG1 2.85Å |
| 41 | K | 85.4 | Confident | 82.8 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 157.1 | 179.4 | -64.2 | 171.3 | -175.4 | 166.2 | 0 | 110.5 | C37 D38 S90 C129 I130 | C37-K41 HydrophobicContact CB-CB 4.02Å; D38-K41 HydrophobicContact CB-CB 4.37Å; D38-K41 HydrophobicContact CB-CD 3.96Å; D38-K41 HydrophobicContact CB-CG 4.18Å; D38-K41 CarbonylContact O-C 3.49Å; D38-K41 WeakPolarHBondContact O-CA 3.4Å; D38-K41 PolarHBondContact O-N 2.04Å; D38-K41 WeakPolarHBondContact OD2-CD 3.28Å; D38-K41 WeakPolarHBondContact OD2-CE 3.24Å; D38-K41 IonicContact OD2-NZ 2.75Å; D38-K41 PolarHBondContact OD2-NZ 3.14Å; K41-S90 WeakPolarHBondContact O-CB 3.44Å; K41-C129 HydrophobicContact CB-CB 4.26Å; K41-C129 HydrophobicContact CD-CB 3.92Å; K41-C129 WeakPolarHBondContact CD-O 3.4Å; K41-I130 CarbonylContact C-O 3.59Å; K41-I130 WeakPolarHBondContact CA-O 3.41Å |
| 42 | T | 82 | Confident | 82.4 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.7 | 174.6 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | G88 H89 I130 T132 V135 | T42-G88 WeakPolarHBondContact CG2-O 3.27Å; T42-H89 WeakPolarHBondContact CA-O 3.49Å; T42-I130 PolarHBondContact N-O 3.5Å; T42-I130 PolarHBondContact O-N 2.83Å; T42-I130 PolarHBondContact OG1-O 3.4Å; T42-T132 HydrophobicContact CG2-CG2 3.77Å; T42-V135 VanDerWaalsContact OG1-CG2 3.29Å; T42-V135 WeakPolarHBondContact OG1-CG2 3.43Å |
| 43 | I | 86.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.6 | 169.3 | -57.5 | 162.5 | 0 | 0 | 0 | 108.6 | I35 C37 I45 C86 S87 G88 H89 C92 | I35-I43 HydrophobicContact CB-CD1 3.89Å; I35-I43 HydrophobicContact CD1-CG2 4.32Å; I35-I43 HydrophobicContact CG2-CB 4.47Å; I35-I43 HydrophobicContact CG2-CD1 3.51Å; I35-I43 HydrophobicContact CG2-CG1 3.62Å; I35-I43 HydrophobicContact CG2-CG2 4Å; C37-I43 HydrophobicContact CB-CG1 4.45Å; C37-I43 WeakPolarHBondContact SG-CG1 3.05Å; I43-I45 HydrophobicContact CG2-CD1 3.58Å; I43-I45 HydrophobicContact CG2-CG1 4.43Å; I43-C86 HydrophobicContact CG2-CB 4.22Å; I43-S87 CarbonylContact O-C 3.58Å; I43-S87 WeakPolarHBondContact O-CA 3.5Å; I43-G88 PolarHBondContact O-N 3.39Å; I43-H89 WeakPolarHBondContact CB-O 3.21Å; I43-H89 WeakPolarHBondContact CG1-O 3.33Å; I43-H89 PolarHBondContact N-O 2.93Å; I43-C92 HydrophobicContact CD1-CB 3.68Å |
| 44 | I | 83.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 120.8 | 161.3 | -75.3 | 156.8 | 0 | 0 | 0 | 106.5 | Y127 D128 I130 V135 L153 | I44-Y127 CarbonylContact O-C 3.52Å; I44-Y127 WeakPolarHBondContact O-CA 3.38Å; I44-Y127 WeakPolarHBondContact O-CB 3.44Å; I44-D128 PolarHBondContact N-O 2.9Å; I44-D128 PolarHBondContact O-N 2.86Å; I44-I130 HydrophobicContact CD1-CB 3.94Å; I44-I130 HydrophobicContact CD1-CD1 3.71Å; I44-I130 HydrophobicContact CD1-CG1 3.91Å; I44-V135 HydrophobicContact CD1-CG2 4.36Å; I44-L153 HydrophobicContact CD1-CD1 3.43Å; I44-L153 VanDerWaalsContact CD1-CD1 3.43Å; I44-L153 HydrophobicContact CG1-CD1 4.05Å; I44-L153 HydrophobicContact CG2-CD1 4.34Å |
| 45 | I | 83.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 138.6 | 173 | -50.4 | -53.5 | 0 | 0 | 0 | 108.6 | I35 I43 A48 T79 I82 C86 S87 V125 I154 | I35-I45 HydrophobicContact CD1-CD1 3.65Å; I43-I45 HydrophobicContact CG2-CD1 3.58Å; I43-I45 HydrophobicContact CG2-CG1 4.43Å; I45-A48 HydrophobicContact CG2-CB 4.21Å; I45-T79 HydrophobicContact CG2-CG2 4.46Å; I45-I82 HydrophobicContact CD1-CG2 4.4Å; I45-I82 HydrophobicContact CG1-CG2 4.25Å; I45-C86 HydrophobicContact CD1-CB 3.94Å; I45-C86 HydrophobicContact CG1-CB 4.13Å; I45-S87 PolarHBondContact N-OG 2.93Å; I45-V125 HydrophobicContact CD1-CG1 3.75Å; I45-V125 HydrophobicContact CG2-CG1 3.86Å; I45-I154 HydrophobicContact CB-CD1 4.41Å; I45-I154 WeakPolarHBondContact O-CD1 2.7Å; I45-I154 WeakPolarHBondContact O-CG1 3.41Å |
| 46 | H | 77.3 | Confident | 77 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -50.6 | 171.1 | -69.2 | -53.9 | 0 | 0 | 0 | 111.2 | T79 E126 D128 | H46-T79 VanDerWaalsContact O-CG2 3.31Å; H46-T79 WeakPolarHBondContact O-CG2 3.45Å; H46-E126 HydrophobicContact CB-CG 4.34Å; H46-E126 PolarHBondContact N-O 2.92Å; H46-D128 IonicContact CD2-OD2 2.65Å; H46-D128 IonicContact CE1-OD2 3.61Å; H46-D128 PolarHBondContact CE1-OD2 3.36Å; H46-D128 IonicContact NE2-OD2 3.27Å; H46-D128 PolarHBondContact NE2-OD2 3.25Å |
| 47 | E | 80.8 | Confident | 74.6 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.6 | -173 | 179.9 | 161.9 | -118.1 | 0 | 0 | 109.3 | H49 E126 | E47-H49 WeakPolarHBondContact CG-CD2 3.31Å; E47-H49 WeakPolarHBondContact CG-NE2 3.38Å; E47-H49 IonicContact OE1-CD2 3.38Å; E47-H49 IonicContact OE1-CE1 3.93Å; E47-H49 CovalentContact OE1-NE2 1.8Å; E47-H49 IonicContact OE1-NE2 2.73Å; E47-H49 PolarHBondContact OE1-NE2 3.47Å; E47-H49 IonicContact OE2-NE2 3.36Å; E47-H49 PolarHBondContact OE2-NE2 2.93Å; E47-E126 HydrophobicContact CB-CB 4.44Å; E47-E126 PolarHBondContact O-N 3.39Å |
| 48 | A | 82.5 | Confident | 72.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 130.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I45 V78 T79 I82 F124 V125 | I45-A48 HydrophobicContact CG2-CB 4.21Å; A48-V78 HydrophobicContact CB-CG2 4.35Å; A48-V78 CarbonylContact O-C 3.41Å; A48-V78 WeakPolarHBondContact O-CG2 3.39Å; A48-V78 PolarHBondContact O-N 3.08Å; A48-T79 PolarHBondContact N-OG1 3.34Å; A48-T79 PolarHBondContact O-N 3.29Å; A48-T79 PolarHBondContact O-OG1 2.97Å; A48-I82 HydrophobicContact CB-CB 3.89Å; A48-I82 HydrophobicContact CB-CG1 3.83Å; A48-I82 HydrophobicContact CB-CG2 4.28Å; A48-F124 CarbonylContact C-O 3.57Å; A48-F124 VanDerWaalsContact CA-O 3.23Å; A48-F124 WeakPolarHBondContact CA-O 3.41Å; A48-V125 HydrophobicContact CB-CB 4.42Å; A48-V125 HydrophobicContact CB-CG1 4.16Å; A48-V125 HydrophobicContact CB-CG2 4.15Å |
| 49 | H | 79.8 | Confident | 69.9 | Low | 30 Ų | 30 | 62.7 Ų | 62.7 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.3 | -170.4 | -69.9 | -75.8 | 0 | 0 | 0 | 112.3 | E47 F53 W75 V76 D77 L123 F124 | E47-H49 WeakPolarHBondContact CG-CD2 3.31Å; E47-H49 WeakPolarHBondContact CG-NE2 3.38Å; E47-H49 IonicContact OE1-CD2 3.38Å; E47-H49 IonicContact OE1-CE1 3.93Å; E47-H49 CovalentContact OE1-NE2 1.8Å; E47-H49 IonicContact OE1-NE2 2.73Å; E47-H49 PolarHBondContact OE1-NE2 3.47Å; E47-H49 IonicContact OE2-NE2 3.36Å; E47-H49 PolarHBondContact OE2-NE2 2.93Å; H49-F53 HydrophobicContact CB-CZ 3.88Å; H49-F53 WeakPolarHBondContact O-CE2 3.04Å; H49-W75 HydrophobicContact CB-CE3 3.72Å; H49-W75 HydrophobicContact CB-CZ3 4.15Å; H49-W75 AromaticContact CD2-CE3 3.4Å; H49-W75 AromaticContact CD2-CZ3 3.62Å; H49-W75 AromaticContact CG-CE3 3.47Å; H49-W75 VanDerWaalsContact CG-CE3 3.47Å; H49-W75 AromaticContact ND1-CE3 3.99Å; H49-V76 WeakPolarHBondContact CA-O 3.42Å; H49-D77 VanDerWaalsContact CE1-CB 3.44Å; H49-D77 WeakPolarHBondContact CE1-CB 3.47Å; H49-D77 WeakPolarHBondContact ND1-CA 3.05Å; H49-L123 WeakPolarHBondContact O-CA 3.22Å; H49-F124 PolarHBondContact N-O 3.33Å; H49-F124 PolarHBondContact O-N 3.38Å |
| 50 | F | 79.2 | Confident | 67.4 | Low | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.1 | 162 | -81.4 | -82.4 | 0 | 0 | 0 | 110.9 | Y29 C74 V76 V78 V96 Y98 L107 T122 L123 | Y29-F50 HydrophobicContact CD2-CE1 4.06Å; F50-C74 CarbonylContact O-C 3.59Å; F50-C74 VanDerWaalsContact O-O 3.1Å; F50-V76 HydrophobicContact CB-CB 4.32Å; F50-V76 PolarHBondContact N-O 2.92Å; F50-V76 PolarHBondContact O-N 2.95Å; F50-V76 VanDerWaalsContact O-N 3.1Å; F50-V78 HydrophobicContact CD2-CB 4.21Å; F50-V78 HydrophobicContact CD2-CG1 3.65Å; F50-V78 HydrophobicContact CD2-CG2 3.58Å; F50-V78 HydrophobicContact CE2-CB 4.37Å; F50-V78 HydrophobicContact CE2-CG1 3.99Å; F50-V78 HydrophobicContact CE2-CG2 3.85Å; F50-V96 HydrophobicContact CE1-CG1 3.58Å; F50-V96 HydrophobicContact CZ-CG1 3.77Å; F50-Y98 AromaticContact CD2-CD2 3.46Å; F50-Y98 HydrophobicContact CD2-CD2 3.46Å; F50-Y98 VanDerWaalsContact CD2-CD2 3.46Å; F50-Y98 AromaticContact CD2-CE2 3.55Å; F50-Y98 HydrophobicContact CD2-CE2 3.55Å; F50-Y98 AromaticContact CE2-CD2 3.52Å; F50-Y98 HydrophobicContact CE2-CD2 3.52Å; F50-Y98 AromaticContact CE2-CE2 3.99Å; F50-Y98 HydrophobicContact CE2-CE2 3.99Å; F50-Y98 HydrophobicContact CE2-CG 4.43Å; F50-Y98 HydrophobicContact CG-CD2 4.08Å; F50-Y98 HydrophobicContact CG-CE2 4.26Å; F50-Y98 HydrophobicContact CZ-CD2 4.2Å; F50-L107 HydrophobicContact CB-CD2 4.15Å; F50-T122 WeakPolarHBondContact CA-O 3.43Å; F50-L123 HydrophobicContact CD1-CB 4.32Å; F50-L123 HydrophobicContact CD2-CD1 4.02Å; F50-L123 HydrophobicContact CE1-CB 4Å; F50-L123 HydrophobicContact CE1-CD1 4.42Å; F50-L123 HydrophobicContact CE2-CD1 3.88Å; F50-L123 HydrophobicContact CG-CD1 4.37Å; F50-L123 HydrophobicContact CZ-CB 4.31Å; F50-L123 HydrophobicContact CZ-CD1 4.1Å |
| 51 | G | 71.5 | Confident | 64.9 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -167.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | C74 T122 | G51-C74 WeakPolarHBondContact CA-O 3.09Å; G51-T122 PolarHBondContact N-O 3.1Å; G51-T122 PolarHBondContact O-N 2.75Å; G51-T122 PolarHBondContact O-OG1 2.8Å |
| 52 | Y | 68.5 | Low | 62.7 | Low | 26 Ų | 26 | 61.8 Ų | 61.8 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | trans | -117 | 65 | 171.5 | -74.1 | -72.7 | 0 | 0 | 0 | 108.8 | R54 F113 A119 P121 | Y52-R54 PolarHBondContact O-N 2.91Å; Y52-F113 HydrophobicContact CD2-CD2 4.08Å; Y52-F113 HydrophobicContact CE2-CD2 4.18Å; Y52-A119 HydrophobicContact CD1-CB 4.17Å; Y52-A119 HydrophobicContact CE1-CB 3.72Å; Y52-A119 WeakPolarHBondContact CE1-O 3.15Å; Y52-A119 PolarHBondContact OH-O 2.93Å; Y52-P121 HydrophobicContact CE1-CB 4.16Å | ||
| 53 | F | 65.3 | Low | 60.5 | Low | 16 Ų | 16 | 67.3 Ų | 67.3 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | -66.4 | 135.2 | -170.7 | -57.3 | -66.1 | 0 | 0 | 0 | 110.8 | L26 H49 E55 D73 W75 T122 F124 | L26-F53 HydrophobicContact CD1-CB 3.9Å; L26-F53 HydrophobicContact CD1-CD2 3.73Å; L26-F53 HydrophobicContact CD1-CG 4.14Å; H49-F53 HydrophobicContact CB-CZ 3.88Å; H49-F53 WeakPolarHBondContact O-CE2 3.04Å; F53-E55 PolarHBondContact O-N 3.47Å; F53-D73 HydrophobicContact CE1-CB 4.5Å; F53-W75 HydrophobicContact CD1-CH2 4.28Å; F53-W75 HydrophobicContact CE1-CD2 4.37Å; F53-W75 AromaticContact CE1-CE3 3.91Å; F53-W75 HydrophobicContact CE1-CE3 3.91Å; F53-W75 AromaticContact CE1-CH2 3.61Å; F53-W75 HydrophobicContact CE1-CH2 3.61Å; F53-W75 HydrophobicContact CE1-CZ2 4.08Å; F53-W75 AromaticContact CE1-CZ3 3.53Å; F53-W75 HydrophobicContact CE1-CZ3 3.53Å; F53-W75 HydrophobicContact CZ-CE3 4.17Å; F53-W75 HydrophobicContact CZ-CZ3 4.01Å; F53-T122 WeakPolarHBondContact CD2-OG1 3.17Å; F53-T122 WeakPolarHBondContact CE2-O 3.39Å; F53-T122 PolarHBondContact N-OG1 3.05Å; F53-T122 VanDerWaalsContact N-OG1 3.1Å; F53-F124 HydrophobicContact CD2-CB 3.61Å; F53-F124 HydrophobicContact CE1-CB 4.37Å; F53-F124 HydrophobicContact CE2-CB 3.4Å; F53-F124 HydrophobicContact CG-CB 4.21Å; F53-F124 HydrophobicContact CZ-CB 3.81Å | ||
| 54 | R | 56.8 | Low | 58.4 | Low | 135 Ų | 135 | 74 Ų | 74 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | trans | -70.2 | 128.3 | 169.9 | -75 | -169.4 | -178.4 | -144.4 | 7.9 | 109.6 | Y52 V56 N70 | Y52-R54 PolarHBondContact O-N 2.91Å; R54-V56 PolarHBondContact O-N 3.46Å; R54-N70 PolarHBondContact NE-OD1 2.82Å; R54-N70 PolarHBondContact NH1-OD1 3.09Å; R54-N70 VanDerWaalsContact NH1-OD1 3.12Å; R54-N70 PolarHBondContact NH2-O 2.92Å; R54-N70 PolarHBondContact NH2-OD1 2.92Å | ||
| 55 | E | 54.7 | Low | 57 | Low | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | trans | -65.5 | 99.7 | 165.5 | -167.9 | -168 | 157.8 | 0 | 0 | 109 | F53 L57 R65 A68 | F53-E55 PolarHBondContact O-N 3.47Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 2.03Å; E55-R65 WeakPolarHBondContact OE1-CD 3.47Å; E55-R65 IonicContact OE1-CZ 3.72Å; E55-R65 IonicContact OE1-NE 2.69Å; E55-R65 IonicContact OE1-NH1 3.61Å; E55-R65 PolarHBondContact OE1-NH1 3.38Å; E55-R65 VanDerWaalsContact OE2-CB 3.3Å; E55-R65 WeakPolarHBondContact OE2-CB 3.5Å; E55-R65 VanDerWaalsContact OE2-CD 3.32Å; E55-R65 WeakPolarHBondContact OE2-CD 3.39Å; E55-A68 HydrophobicContact CB-CB 4.35Å | ||
| 56 | V | 49.2 | Very low | 55.7 | Low | 116 Ų | 116 | 79.8 Ų | 79.8 | 70% | 0.703 | 42% | 0.417 | S | S | * | . | trans | -75.2 | 90.3 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | R54 L58 | R54-V56 PolarHBondContact O-N 3.46Å; V56-L58 PolarHBondContact O-N 3.24Å | ||
| 57 | L | 38.3 | Very low | 54.4 | Low | 135 Ų | 135 | 83.8 Ų | 83.8 | 71% | 0.707 | 43% | 0.429 | S | S | * | . | trans | -66.3 | 93.9 | -164.5 | -161.4 | 159.4 | 0 | 0 | 0 | 112.6 | E55 | E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 2.03Å | ||
| 58 | L | 37 | Very low | 52.8 | Low | 140 Ų | 140 | 81.9 Ų | 81.9 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | trans | -128.2 | 127.6 | 163.6 | -72.9 | 174.8 | 0 | 0 | 0 | 109.3 | V56 | V56-L58 PolarHBondContact O-N 3.24Š| ||
| 59 | I | 38.8 | Very low | 51.3 | Low | 143 Ų | 143 | 84.2 Ų | 84.2 | 73% | 0.733 | 44% | 0.437 | S | S | * | . | S | Bend | trans | 67.6 | 81.6 | 168.4 | -48.8 | 178 | 0 | 0 | 0 | 115.3 | ||
| 60 | S | 30.6 | Very low | 49.6 | Very low | 95 Ų | 95 | 88 Ų | 88 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | trans | 43.4 | 127.5 | 137.2 | 62.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 61 | N | 31.5 | Very low | 48.1 | Very low | 160 Ų | 160 | 91.7 Ų | 91.7 | 86% | 0.856 | 48% | 0.484 | S | S | * | . | trans | 80.8 | 54.6 | 137.9 | -153.5 | 37.5 | 0 | 0 | 0 | 119.7 | ||||
| 62 | S | 38.9 | Very low | 47.1 | Very low | 64 Ų | 64 | 101.9 Ų | 101.9 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | trans | -130.4 | 118.9 | 148.1 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | R65 | S62-R65 PolarHBondContact OG-NE 2.76Å; S62-R65 PolarHBondContact OG-NH2 2.89Å | ||
| 63 | T | 37.2 | Very low | 46.6 | Very low | 123 Ų | 123 | 104.3 Ų | 104.3 | 76% | 0.755 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 147.1 | 174.7 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 64 | N | 42.1 | Very low | 46.2 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 75% | 0.749 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 23.7 | 176.5 | -50.9 | -10.4 | 0 | 0 | 0 | 117.1 | ||
| 65 | R | 54.4 | Low | 46.7 | Very low | 112 Ų | 112 | 104.3 Ų | 104.3 | 42% | 0.423 | 54% | 0.539 | S | S | . | . | trans | -58.9 | 143.5 | 167 | -70.5 | -179.2 | -179.6 | 175.3 | 0.7 | 111.4 | E55 S62 | E55-R65 WeakPolarHBondContact OE1-CD 3.47Å; E55-R65 IonicContact OE1-CZ 3.72Å; E55-R65 IonicContact OE1-NE 2.69Å; E55-R65 IonicContact OE1-NH1 3.61Å; E55-R65 PolarHBondContact OE1-NH1 3.38Å; E55-R65 VanDerWaalsContact OE2-CB 3.3Å; E55-R65 WeakPolarHBondContact OE2-CB 3.5Å; E55-R65 VanDerWaalsContact OE2-CD 3.32Å; E55-R65 WeakPolarHBondContact OE2-CD 3.39Å; S62-R65 PolarHBondContact OG-NE 2.76Å; S62-R65 PolarHBondContact OG-NH2 2.89Å | ||
| 66 | C | 54.1 | Low | 47.2 | Very low | 16 Ų | 16 | 102.3 Ų | 102.3 | 11% | 0.108 | 53% | 0.531 | C | S | . | . | trans | -58.8 | 150.1 | -170.2 | -30.3 | 0 | 0 | 0 | 0 | 112.6 | C28 A68 T122 | C28-C66 WeakPolarHBondContact CA-SG 3.12Å; C28-C66 HydrophobicContact CB-CB 4.01Å; C28-C66 WeakPolarHBondContact CB-SG 3.49Å; C28-C66 PolarHBondContact N-SG 3.29Å; C28-C66 WeakPolarHBondContact SG-CA 3.21Å; C28-C66 WeakPolarHBondContact SG-CB 3.05Å; C28-C66 PolarHBondContact SG-N 3.33Å; C28-C66 CovalentContact SG-SG 2.03Å; C28-C66 PolarHBondContact SG-SG 3.17Å; C66-A68 PolarHBondContact O-N 2.89Å; C66-T122 HydrophobicContact CB-CG2 3.34Å; C66-T122 VanDerWaalsContact SG-CG2 3.52Å | ||
| 67 | R | 50.6 | Low | 48.2 | Very low | 162 Ų | 162 | 101.3 Ų | 101.3 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | trans | -69.3 | 90.5 | 176.9 | -82.3 | -168.7 | 175.7 | -174.5 | 1.8 | 112.1 | H69 A118 | R67-H69 PolarHBondContact O-N 3Å; R67-A118 WeakPolarHBondContact CD-O 3.44Å | ||
| 68 | A | 47.7 | Very low | 50 | Low | 36 Ų | 36 | 95.2 Ų | 95.2 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | trans | -45.2 | 104 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E55 C66 | E55-A68 HydrophobicContact CB-CB 4.35Å; C66-A68 PolarHBondContact O-N 2.89Å | ||
| 69 | H | 50.3 | Low | 52 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | trans | -87 | 141.5 | 177.2 | -104 | -105.9 | 0 | 0 | 0 | 112.2 | R67 S71 D116 | R67-H69 PolarHBondContact O-N 3Å; H69-S71 VanDerWaalsContact C-N 3.33Å; H69-S71 PolarHBondContact O-N 3.09Å; H69-D116 IonicContact CE1-OD2 2.72Å; H69-D116 PolarHBondContact CE1-OD2 2.99Å | ||
| 70 | N | 45.6 | Very low | 53.4 | Low | 109 Ų | 109 | 85.9 Ų | 85.9 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -85.6 | 10.3 | -158.6 | -92.9 | -12.3 | 0 | 0 | 0 | 115.6 | R54 | R54-N70 PolarHBondContact NE-OD1 2.82Å; R54-N70 PolarHBondContact NH1-OD1 3.09Å; R54-N70 VanDerWaalsContact NH1-OD1 3.12Å; R54-N70 PolarHBondContact NH2-O 2.92Å; R54-N70 PolarHBondContact NH2-OD1 2.92Å |
| 71 | S | 46.4 | Very low | 55.4 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -150.4 | 115.6 | -173.8 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | H69 | H69-S71 VanDerWaalsContact C-N 3.33Å; H69-S71 PolarHBondContact O-N 3.09Å |
| 72 | R | 51.9 | Low | 57.7 | Low | 218 Ų | 218 | 76.5 Ų | 76.5 | 82% | 0.823 | 40% | 0.396 | S | S | * | . | trans | 59.5 | 117 | 170.7 | -69.8 | 176 | -174.9 | 170.9 | 0.8 | 114.6 | F113 | R72-F113 HydrophobicContact CB-CE1 3.85Å; R72-F113 HydrophobicContact CB-CZ 4.45Å; R72-F113 WeakPolarHBondContact O-CE1 3.47Å; R72-F113 VanDerWaalsContact O-CZ 3.24Å; R72-F113 WeakPolarHBondContact O-CZ 3.39Å | ||
| 73 | D | 56.7 | Low | 59.6 | Low | 77 Ų | 77 | 73.7 Ų | 73.7 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | trans | -68 | 134.2 | 175.1 | -42.1 | -77.6 | 0 | 0 | 0 | 110.5 | F53 W75 | F53-D73 HydrophobicContact CE1-CB 4.5Å; D73-W75 HydrophobicContact CB-CD2 4.45Å; D73-W75 HydrophobicContact CB-CZ2 3.93Å | ||
| 74 | C | 57.5 | Low | 61.3 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 11% | 0.108 | 38% | 0.378 | C | S | . | . | trans | -80.2 | 140.5 | 155.7 | -148.7 | 0 | 0 | 0 | 0 | 108 | F50 G51 C111 F113 | F50-C74 CarbonylContact O-C 3.59Å; F50-C74 VanDerWaalsContact O-O 3.1Å; G51-C74 WeakPolarHBondContact CA-O 3.09Å; C74-C111 HydrophobicContact CB-CB 3.8Å; C74-C111 WeakPolarHBondContact CB-SG 3.41Å; C74-C111 VanDerWaalsContact SG-CA 3.58Å; C74-C111 WeakPolarHBondContact SG-CB 3.13Å; C74-C111 CovalentContact SG-SG 2.04Å; C74-C111 PolarHBondContact SG-SG 3.14Å; C74-F113 HydrophobicContact CB-CE2 3.7Å; C74-F113 HydrophobicContact CB-CZ 4.24Å | ||
| 75 | W | 66.5 | Low | 63 | Low | 134 Ų | 134 | 76 Ų | 76 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | trans | -124.9 | 84.1 | 176.1 | -63.3 | 99.1 | 0 | 0 | 0 | 108.4 | H49 F53 D73 | H49-W75 HydrophobicContact CB-CE3 3.72Å; H49-W75 HydrophobicContact CB-CZ3 4.15Å; H49-W75 AromaticContact CD2-CE3 3.4Å; H49-W75 AromaticContact CD2-CZ3 3.62Å; H49-W75 AromaticContact CG-CE3 3.47Å; H49-W75 VanDerWaalsContact CG-CE3 3.47Å; H49-W75 AromaticContact ND1-CE3 3.99Å; F53-W75 HydrophobicContact CD1-CH2 4.28Å; F53-W75 HydrophobicContact CE1-CD2 4.37Å; F53-W75 AromaticContact CE1-CE3 3.91Å; F53-W75 HydrophobicContact CE1-CE3 3.91Å; F53-W75 AromaticContact CE1-CH2 3.61Å; F53-W75 HydrophobicContact CE1-CH2 3.61Å; F53-W75 HydrophobicContact CE1-CZ2 4.08Å; F53-W75 AromaticContact CE1-CZ3 3.53Å; F53-W75 HydrophobicContact CE1-CZ3 3.53Å; F53-W75 HydrophobicContact CZ-CE3 4.17Å; F53-W75 HydrophobicContact CZ-CZ3 4.01Å; D73-W75 HydrophobicContact CB-CD2 4.45Å; D73-W75 HydrophobicContact CB-CZ2 3.93Å | ||
| 76 | V | 66 | Low | 64.3 | Low | 22 Ų | 22 | 70.7 Ų | 70.7 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 103.4 | 170.9 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | H49 F50 V78 Y98 L107 | H49-V76 WeakPolarHBondContact CA-O 3.42Å; F50-V76 HydrophobicContact CB-CB 4.32Å; F50-V76 PolarHBondContact N-O 2.92Å; F50-V76 PolarHBondContact O-N 2.95Å; F50-V76 VanDerWaalsContact O-N 3.1Å; V76-V78 PolarHBondContact O-N 2.95Å; V76-Y98 HydrophobicContact CG1-CE2 4Å; V76-Y98 WeakPolarHBondContact CG1-OH 3.37Å; V76-L107 HydrophobicContact CG2-CD2 4.42Å |
| 77 | D | 70 | Confident | 65.4 | Low | 96 Ų | 96 | 70 Ų | 70 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 117.1 | -178.7 | 176.6 | 18.9 | 0 | 0 | 0 | 111.2 | H49 T79 | H49-D77 VanDerWaalsContact CE1-CB 3.44Å; H49-D77 WeakPolarHBondContact CE1-CB 3.47Å; H49-D77 WeakPolarHBondContact ND1-CA 3.05Å; D77-T79 WeakPolarHBondContact OD1-CB 3.41Å; D77-T79 PolarHBondContact OD1-N 3.06Å; D77-T79 PolarHBondContact OD1-OG1 3.36Å |
| 78 | V | 75.2 | Confident | 66.5 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | trans | -123.8 | 15.2 | 172.6 | -68.4 | 0 | 0 | 0 | 0 | 112 | A48 F50 V76 A80 N81 I82 Y98 L123 | A48-V78 HydrophobicContact CB-CG2 4.35Å; A48-V78 CarbonylContact O-C 3.41Å; A48-V78 WeakPolarHBondContact O-CG2 3.39Å; A48-V78 PolarHBondContact O-N 3.08Å; F50-V78 HydrophobicContact CD2-CB 4.21Å; F50-V78 HydrophobicContact CD2-CG1 3.65Å; F50-V78 HydrophobicContact CD2-CG2 3.58Å; F50-V78 HydrophobicContact CE2-CB 4.37Å; F50-V78 HydrophobicContact CE2-CG1 3.99Å; F50-V78 HydrophobicContact CE2-CG2 3.85Å; V76-V78 PolarHBondContact O-N 2.95Å; V78-A80 PolarHBondContact O-N 2.95Å; V78-N81 HydrophobicContact CB-CB 4.49Å; V78-N81 WeakPolarHBondContact O-CA 3.29Å; V78-N81 WeakPolarHBondContact O-CB 3.3Å; V78-N81 PolarHBondContact O-N 2.76Å; V78-I82 HydrophobicContact CB-CG1 4.49Å; V78-I82 HydrophobicContact CG2-CG1 4.03Å; V78-I82 PolarHBondContact O-N 3Å; V78-Y98 HydrophobicContact CG1-CD2 4.4Å; V78-Y98 HydrophobicContact CG1-CE2 3.57Å; V78-L123 HydrophobicContact CG2-CD1 3.55Å | ||
| 79 | T | 79.2 | Confident | 68.2 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50 | -45.3 | 178.6 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | I45 H46 A48 D77 N81 S83 I154 | I45-T79 HydrophobicContact CG2-CG2 4.46Å; H46-T79 VanDerWaalsContact O-CG2 3.31Å; H46-T79 WeakPolarHBondContact O-CG2 3.45Å; A48-T79 PolarHBondContact N-OG1 3.34Å; A48-T79 PolarHBondContact O-N 3.29Å; A48-T79 PolarHBondContact O-OG1 2.97Å; D77-T79 WeakPolarHBondContact OD1-CB 3.41Å; D77-T79 PolarHBondContact OD1-N 3.06Å; D77-T79 PolarHBondContact OD1-OG1 3.36Å; T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 2.92Å; T79-S83 WeakPolarHBondContact O-CB 3.4Å; T79-S83 PolarHBondContact O-N 2.87Å; T79-S83 PolarHBondContact O-OG 3.47Å; T79-I154 HydrophobicContact CG2-CD1 4.18Å; T79-I154 HydrophobicContact CG2-CG2 3.94Å |
| 80 | A | 69 | Low | 69.8 | Low | 76 Ų | 76 | 65.6 Ų | 65.6 | 63% | 0.628 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.7 | -23.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V78 R84 | V78-A80 PolarHBondContact O-N 2.95Å; A80-R84 WeakPolarHBondContact O-CB 3.38Å |
| 81 | N | 72.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -89 | -46.1 | 177.9 | -177.5 | 15.5 | 0 | 0 | 0 | 111 | V78 T79 R84 R85 | V78-N81 HydrophobicContact CB-CB 4.49Å; V78-N81 WeakPolarHBondContact O-CA 3.29Å; V78-N81 WeakPolarHBondContact O-CB 3.3Å; V78-N81 PolarHBondContact O-N 2.76Å; T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 2.92Å; N81-R84 PolarHBondContact O-N 3.27Å; N81-R85 WeakPolarHBondContact O-CG 3.4Å; N81-R85 PolarHBondContact O-N 3.26Å; N81-R85 PolarHBondContact OD1-NE 2.82Å; N81-R85 VanDerWaalsContact OD1-NE 3.11Å |
| 82 | I | 79.7 | Confident | 73.7 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 178.9 | -56.4 | -55.7 | 0 | 0 | 0 | 110.9 | L33 I45 A48 V78 R84 R85 C86 L123 V125 | L33-I82 HydrophobicContact CD2-CG2 4.08Å; I45-I82 HydrophobicContact CD1-CG2 4.4Å; I45-I82 HydrophobicContact CG1-CG2 4.25Å; A48-I82 HydrophobicContact CB-CB 3.89Å; A48-I82 HydrophobicContact CB-CG1 3.83Å; A48-I82 HydrophobicContact CB-CG2 4.28Å; V78-I82 HydrophobicContact CB-CG1 4.49Å; V78-I82 HydrophobicContact CG2-CG1 4.03Å; V78-I82 PolarHBondContact O-N 3Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 2.83Å; I82-R85 PolarHBondContact O-N 2.96Å; I82-C86 PolarHBondContact O-N 3.38Å; I82-L123 HydrophobicContact CD1-CD1 4.32Å; I82-L123 HydrophobicContact CD1-CD2 3.72Å; I82-L123 HydrophobicContact CG1-CD1 4.16Å; I82-L123 HydrophobicContact CG1-CD2 4.17Å; I82-V125 HydrophobicContact CG2-CG1 3.95Å; I82-V125 HydrophobicContact CG2-CG2 4.16Å |
| 83 | S | 78.5 | Confident | 75.3 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | T79 R85 S87 | T79-S83 WeakPolarHBondContact O-CB 3.4Å; T79-S83 PolarHBondContact O-N 2.87Å; T79-S83 PolarHBondContact O-OG 3.47Å; S83-R85 PolarHBondContact O-N 3.3Å; S83-S87 WeakPolarHBondContact O-CB 3.24Å; S83-S87 PolarHBondContact O-N 2.94Å; S83-S87 PolarHBondContact O-OG 3.04Å; S83-S87 VanDerWaalsContact O-OG 3.05Å |
| 84 | R | 72.9 | Confident | 76.3 | Confident | 212 Ų | 212 | 52.6 Ų | 52.6 | 80% | 0.8 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.2 | -17.9 | 175.8 | -174.3 | 173.7 | 179.8 | -171.5 | -0.2 | 113.5 | A80 N81 I82 | A80-R84 WeakPolarHBondContact O-CB 3.38Å; N81-R84 PolarHBondContact O-N 3.27Å; I82-R84 VanDerWaalsContact C-N 3.32Å; I82-R84 PolarHBondContact O-N 2.83Å |
| 85 | R | 78.8 | Confident | 77.3 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -97.3 | -32.6 | 177.2 | -68.6 | 177.2 | -175 | -142.1 | 0.7 | 113.7 | N81 I82 S83 T94 | N81-R85 WeakPolarHBondContact O-CG 3.4Å; N81-R85 PolarHBondContact O-N 3.26Å; N81-R85 PolarHBondContact OD1-NE 2.82Å; N81-R85 VanDerWaalsContact OD1-NE 3.11Å; I82-R85 PolarHBondContact O-N 2.96Å; S83-R85 PolarHBondContact O-N 3.3Å; R85-T94 PolarHBondContact NH1-OG1 2.85Å |
| 86 | C | 81.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -108.1 | -30.6 | -171.1 | -65.8 | 0 | 0 | 0 | 0 | 114.5 | I43 I45 I82 H89 C92 | I43-C86 HydrophobicContact CG2-CB 4.22Å; I45-C86 HydrophobicContact CD1-CB 3.94Å; I45-C86 HydrophobicContact CG1-CB 4.13Å; I82-C86 PolarHBondContact O-N 3.38Å; C86-H89 PolarHBondContact O-N 3.16Å; C86-C92 WeakPolarHBondContact CA-SG 3.34Å; C86-C92 HydrophobicContact CB-CB 3.46Å; C86-C92 VanDerWaalsContact CB-CB 3.46Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.49Å; C86-C92 CovalentContact SG-SG 2.04Å; C86-C92 PolarHBondContact SG-SG 3.13Å |
| 87 | S | 77.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 143.1 | -168.5 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | I43 I45 S83 H89 | I43-S87 CarbonylContact O-C 3.58Å; I43-S87 WeakPolarHBondContact O-CA 3.5Å; I45-S87 PolarHBondContact N-OG 2.93Å; S83-S87 WeakPolarHBondContact O-CB 3.24Å; S83-S87 PolarHBondContact O-N 2.94Å; S83-S87 PolarHBondContact O-OG 3.04Å; S83-S87 VanDerWaalsContact O-OG 3.05Å; S87-H89 PolarHBondContact O-N 3.23Å |
| 88 | G | 74.4 | Confident | 76.8 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -10.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T42 I43 | T42-G88 WeakPolarHBondContact CG2-O 3.27Å; I43-G88 PolarHBondContact O-N 3.39Å |
| 89 | H | 82.2 | Confident | 75.7 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | trans | -89.6 | 154.1 | 166.5 | -60.7 | -52.5 | 0 | 0 | 0 | 110.8 | T42 I43 C86 S87 | T42-H89 WeakPolarHBondContact CA-O 3.49Å; I43-H89 WeakPolarHBondContact CB-O 3.21Å; I43-H89 WeakPolarHBondContact CG1-O 3.33Å; I43-H89 PolarHBondContact N-O 2.93Å; C86-H89 PolarHBondContact O-N 3.16Å; S87-H89 PolarHBondContact O-N 3.23Å | ||
| 90 | S | 84.8 | Confident | 74 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -82.2 | -22.1 | 169.3 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | C37 K41 | C37-S90 WeakPolarHBondContact CB-O 3.46Å; C37-S90 PolarHBondContact N-O 3.1Å; K41-S90 WeakPolarHBondContact O-CB 3.44Å |
| 91 | V | 87.4 | Confident | 72.9 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 124.7 | 178.1 | -173 | 0 | 0 | 0 | 0 | 109.2 | I35 H36 K93 | I35-V91 WeakPolarHBondContact O-CA 3.38Å; H36-V91 HydrophobicContact CB-CG1 4.47Å; H36-V91 VanDerWaalsContact CD2-CG2 3.46Å; H36-V91 WeakPolarHBondContact CD2-CG2 3.38Å; V91-K93 HydrophobicContact CG1-CG 4.36Å |
| 92 | C | 86.8 | Confident | 71.9 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | trans | -107.4 | 132.1 | 173 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | I35 I43 C86 | I35-C92 HydrophobicContact CB-CB 4.24Å; I35-C92 PolarHBondContact N-O 2.83Å; I35-C92 PolarHBondContact O-N 3.37Å; I43-C92 HydrophobicContact CD1-CB 3.68Å; C86-C92 WeakPolarHBondContact CA-SG 3.34Å; C86-C92 HydrophobicContact CB-CB 3.46Å; C86-C92 VanDerWaalsContact CB-CB 3.46Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.49Å; C86-C92 CovalentContact SG-SG 2.04Å; C86-C92 PolarHBondContact SG-SG 3.13Å | ||
| 93 | K | 85.8 | Confident | 70.7 | Confident | 139 Ų | 139 | 58 Ų | 58 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | trans | -134.5 | 97.5 | 170.4 | -65.1 | -162.8 | 169.2 | -135 | 0 | 109.7 | L33 H34 V91 | L33-K93 WeakPolarHBondContact O-CA 3.22Å; H34-K93 PolarHBondContact CD2-NZ 3.22Å; H34-K93 PolarHBondContact NE2-NZ 2.77Å; V91-K93 HydrophobicContact CG1-CG 4.36Å | ||
| 94 | T | 77.6 | Confident | 69.6 | Low | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.9 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | S32 L33 R85 V96 | S32-T94 CarbonylContact C-O 3.57Å; S32-T94 WeakPolarHBondContact CA-O 3.47Å; L33-T94 HydrophobicContact CB-CG2 4Å; L33-T94 HydrophobicContact CD2-CG2 3.93Å; L33-T94 PolarHBondContact N-O 3.1Å; L33-T94 PolarHBondContact O-N 3.03Å; R85-T94 PolarHBondContact NH1-OG1 2.85Å; T94-V96 PolarHBondContact O-N 2.66Å |
| 95 | S | 77.1 | Confident | 69 | Low | 56 Ų | 56 | 54.1 Ų | 54.1 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 134.5 | 166.3 | 49.4 | 0 | 0 | 0 | 0 | 110 | E31 H97 | E31-S95 CarbonylContact O-C 3.56Å; E31-S95 WeakPolarHBondContact O-CA 3.39Å; S95-H97 PolarHBondContact O-N 2.92Å; S95-H97 PolarHBondContact OG-CD2 3.11Å |
| 96 | V | 70 | Confident | 68.1 | Low | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | trans | -82.2 | 75.6 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | C28 N30 E31 L33 F50 T94 L123 | C28-V96 WeakPolarHBondContact O-CB 3.31Å; N30-V96 PolarHBondContact N-O 2.81Å; E31-V96 PolarHBondContact O-N 2.85Å; L33-V96 HydrophobicContact CB-CG2 4Å; F50-V96 HydrophobicContact CE1-CG1 3.58Å; F50-V96 HydrophobicContact CZ-CG1 3.77Å; T94-V96 PolarHBondContact O-N 2.66Å; V96-L123 HydrophobicContact CG1-CB 3.57Å; V96-L123 HydrophobicContact CG1-CD2 4.07Å; V96-L123 HydrophobicContact CG1-CG 4.43Å; V96-L123 HydrophobicContact CG2-CB 4.44Å; V96-L123 HydrophobicContact CG2-CD2 3.92Å | ||
| 97 | H | 66.1 | Low | 67.1 | Low | 77 Ų | 77 | 51.9 Ų | 51.9 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | trans | -115.6 | 139.9 | 162.5 | -51.3 | -60.6 | 0 | 0 | 0 | 107.9 | N30 S95 | N30-H97 PolarHBondContact OD1-CE1 3.16Å; N30-H97 VanDerWaalsContact OD1-CE1 3.29Å; N30-H97 PolarHBondContact OD1-ND1 2.82Å; N30-H97 VanDerWaalsContact OD1-ND1 3.14Å; S95-H97 PolarHBondContact O-N 2.92Å; S95-H97 PolarHBondContact OG-CD2 3.11Å | ||
| 98 | Y | 56.9 | Low | 66.3 | Low | 39 Ų | 39 | 53.8 Ų | 53.8 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | trans | -60.9 | 164.3 | 160.4 | -139.7 | -81.7 | 0 | 0 | 0 | 109.3 | F50 V76 V78 L102 L107 | F50-Y98 AromaticContact CD2-CD2 3.46Å; F50-Y98 HydrophobicContact CD2-CD2 3.46Å; F50-Y98 VanDerWaalsContact CD2-CD2 3.46Å; F50-Y98 AromaticContact CD2-CE2 3.55Å; F50-Y98 HydrophobicContact CD2-CE2 3.55Å; F50-Y98 AromaticContact CE2-CD2 3.52Å; F50-Y98 HydrophobicContact CE2-CD2 3.52Å; F50-Y98 AromaticContact CE2-CE2 3.99Å; F50-Y98 HydrophobicContact CE2-CE2 3.99Å; F50-Y98 HydrophobicContact CE2-CG 4.43Å; F50-Y98 HydrophobicContact CG-CD2 4.08Å; F50-Y98 HydrophobicContact CG-CE2 4.26Å; F50-Y98 HydrophobicContact CZ-CD2 4.2Å; V76-Y98 HydrophobicContact CG1-CE2 4Å; V76-Y98 WeakPolarHBondContact CG1-OH 3.37Å; V78-Y98 HydrophobicContact CG1-CD2 4.4Å; V78-Y98 HydrophobicContact CG1-CE2 3.57Å; Y98-L102 HydrophobicContact CD1-CB 3.67Å; Y98-L102 HydrophobicContact CD1-CD1 4.1Å; Y98-L102 HydrophobicContact CD1-CD2 4.06Å; Y98-L102 HydrophobicContact CD1-CG 4.15Å; Y98-L102 HydrophobicContact CE1-CB 4.17Å; Y98-L102 HydrophobicContact CE1-CD1 3.92Å; Y98-L102 HydrophobicContact CE1-CD2 3.69Å; Y98-L102 HydrophobicContact CE1-CG 4.14Å; Y98-L102 HydrophobicContact CG-CB 4.33Å; Y98-L107 HydrophobicContact CD2-CD1 3.99Å; Y98-L107 HydrophobicContact CD2-CD2 4.06Å; Y98-L107 HydrophobicContact CD2-CG 4.22Å; Y98-L107 HydrophobicContact CE2-CD2 4.13Å; Y98-L107 HydrophobicContact CG-CD1 4.41Å | ||
| 99 | S | 51.9 | Low | 65.7 | Low | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | trans | -52.1 | 156.2 | 179.2 | -161.9 | 0 | 0 | 0 | 0 | 111.9 | D101 L102 | S99-D101 WeakPolarHBondContact CB-OD2 3.48Å; S99-D101 PolarHBondContact O-N 2.69Å; S99-D101 PolarHBondContact OG-OD2 3.44Å; S99-L102 PolarHBondContact O-N 3.21Å; S99-L102 VanDerWaalsContact O-N 3.08Å | ||
| 100 | S | 44.3 | Very low | 64.7 | Low | 118 Ų | 118 | 63 Ų | 63 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -5.5 | 179.2 | 45.2 | 0 | 0 | 0 | 0 | 116 | ||
| 101 | D | 44.6 | Very low | 63.5 | Low | 105 Ų | 105 | 61.3 Ų | 61.3 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -13 | -166.1 | -32.4 | -68.4 | 0 | 0 | 0 | 111.7 | S99 | S99-D101 WeakPolarHBondContact CB-OD2 3.48Å; S99-D101 PolarHBondContact O-N 2.69Å; S99-D101 PolarHBondContact OG-OD2 3.44Å |
| 102 | L | 50.6 | Low | 61.9 | Low | 39 Ų | 39 | 63.7 Ų | 63.7 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | trans | -122.4 | 115.8 | 166.5 | -72.9 | 81.5 | 0 | 0 | 0 | 109.4 | Y98 S99 L106 | Y98-L102 HydrophobicContact CD1-CB 3.67Å; Y98-L102 HydrophobicContact CD1-CD1 4.1Å; Y98-L102 HydrophobicContact CD1-CD2 4.06Å; Y98-L102 HydrophobicContact CD1-CG 4.15Å; Y98-L102 HydrophobicContact CE1-CB 4.17Å; Y98-L102 HydrophobicContact CE1-CD1 3.92Å; Y98-L102 HydrophobicContact CE1-CD2 3.69Å; Y98-L102 HydrophobicContact CE1-CG 4.14Å; Y98-L102 HydrophobicContact CG-CB 4.33Å; S99-L102 PolarHBondContact O-N 3.21Å; S99-L102 VanDerWaalsContact O-N 3.08Å; L102-L106 HydrophobicContact CB-CB 4.05Å; L102-L106 HydrophobicContact CB-CD1 4.47Å; L102-L106 HydrophobicContact CD2-CB 4.42Å; L102-L106 HydrophobicContact CD2-CD2 4.02Å; L102-L106 HydrophobicContact CG-CB 4.23Å; L102-L106 HydrophobicContact CG-CD1 4.15Å; L102-L106 HydrophobicContact CG-CD2 4.17Å; L102-L106 HydrophobicContact CG-CG 4.39Å | ||
| 103 | S | 55.6 | Low | 60.5 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | trans | -80.4 | 173.7 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | D105 L106 L107 | S103-D105 WeakPolarHBondContact CB-OD2 3.33Å; S103-D105 PolarHBondContact O-N 3.3Å; S103-D105 WeakPolarHBondContact OG-CB 3.37Å; S103-D105 PolarHBondContact OG-N 3.31Å; S103-D105 PolarHBondContact OG-OD2 3.35Å; S103-L106 WeakPolarHBondContact O-CA 3.34Å; S103-L106 WeakPolarHBondContact O-CB 3.39Å; S103-L106 PolarHBondContact O-N 3.41Å; S103-L107 PolarHBondContact O-N 2.72Å; S103-L107 VanDerWaalsContact O-N 3.14Å | ||
| 104 | A | 55.3 | Low | 58.6 | Low | 39 Ų | 39 | 67.6 Ų | 67.6 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.4 | -28.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L106 T108 | A104-L106 PolarHBondContact O-N 2.95Å; A104-T108 WeakPolarHBondContact O-CG2 3.39Å; A104-T108 PolarHBondContact O-N 2.67Å; A104-T108 PolarHBondContact O-OG1 3.01Å |
| 105 | D | 60.4 | Low | 57.3 | Low | 97 Ų | 97 | 71.1 Ų | 71.1 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -16.3 | 173 | -26.3 | -76.4 | 0 | 0 | 0 | 113.5 | S103 T108 R109 | S103-D105 WeakPolarHBondContact CB-OD2 3.33Å; S103-D105 PolarHBondContact O-N 3.3Å; S103-D105 WeakPolarHBondContact OG-CB 3.37Å; S103-D105 PolarHBondContact OG-N 3.31Å; S103-D105 PolarHBondContact OG-OD2 3.35Å; D105-T108 WeakPolarHBondContact CA-OG1 3.22Å; D105-R109 WeakPolarHBondContact O-CD 3.34Å; D105-R109 WeakPolarHBondContact O-CG 3.44Å |
| 106 | L | 59.6 | Low | 56 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -95.5 | -41.5 | 177.5 | -128.8 | 155.3 | 0 | 0 | 0 | 110.3 | L102 S103 A104 T108 R109 E110 | L102-L106 HydrophobicContact CB-CB 4.05Å; L102-L106 HydrophobicContact CB-CD1 4.47Å; L102-L106 HydrophobicContact CD2-CB 4.42Å; L102-L106 HydrophobicContact CD2-CD2 4.02Å; L102-L106 HydrophobicContact CG-CB 4.23Å; L102-L106 HydrophobicContact CG-CD1 4.15Å; L102-L106 HydrophobicContact CG-CD2 4.17Å; L102-L106 HydrophobicContact CG-CG 4.39Å; S103-L106 WeakPolarHBondContact O-CA 3.34Å; S103-L106 WeakPolarHBondContact O-CB 3.39Å; S103-L106 PolarHBondContact O-N 3.41Å; A104-L106 PolarHBondContact O-N 2.95Å; L106-T108 PolarHBondContact O-N 3.24Å; L106-R109 PolarHBondContact O-N 3.47Å; L106-R109 VanDerWaalsContact O-N 3.07Å; L106-E110 HydrophobicContact CD2-CG 4.34Å; L106-E110 PolarHBondContact O-N 3.46Å |
| 107 | L | 59.7 | Low | 55.2 | Low | 5 Ų | 5 | 81.4 Ų | 81.4 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.5 | -50.1 | 166 | -85 | 162.8 | 0 | 0 | 0 | 111.5 | Y29 F50 V76 Y98 S103 R109 E110 C111 P121 | Y29-L107 HydrophobicContact CD2-CD1 4.17Å; Y29-L107 HydrophobicContact CE2-CD1 3.81Å; F50-L107 HydrophobicContact CB-CD2 4.15Å; V76-L107 HydrophobicContact CG2-CD2 4.42Å; Y98-L107 HydrophobicContact CD2-CD1 3.99Å; Y98-L107 HydrophobicContact CD2-CD2 4.06Å; Y98-L107 HydrophobicContact CD2-CG 4.22Å; Y98-L107 HydrophobicContact CE2-CD2 4.13Å; Y98-L107 HydrophobicContact CG-CD1 4.41Å; S103-L107 PolarHBondContact O-N 2.72Å; S103-L107 VanDerWaalsContact O-N 3.14Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-R109 VanDerWaalsContact O-N 3.13Å; L107-E110 PolarHBondContact O-N 3.44Å; L107-C111 WeakPolarHBondContact O-CA 3.24Å; L107-C111 WeakPolarHBondContact O-CB 3.11Å; L107-C111 PolarHBondContact O-N 2.97Å; L107-P121 HydrophobicContact CD1-CG 4.3Å |
| 108 | T | 60.6 | Low | 54.5 | Low | 44 Ų | 44 | 80.1 Ų | 80.1 | 27% | 0.27 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -9.4 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | A104 D105 L106 I115 | A104-T108 WeakPolarHBondContact O-CG2 3.39Å; A104-T108 PolarHBondContact O-N 2.67Å; A104-T108 PolarHBondContact O-OG1 3.01Å; D105-T108 WeakPolarHBondContact CA-OG1 3.22Å; L106-T108 PolarHBondContact O-N 3.24Å; T108-I115 HydrophobicContact CG2-CD1 3.91Å |
| 109 | R | 61.8 | Low | 54.6 | Low | 188 Ų | 188 | 79.2 Ų | 79.2 | 71% | 0.709 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -95.3 | -32.5 | 173.2 | -76.9 | 177.2 | 65.9 | -119.2 | -8.7 | 113.5 | D105 L106 L107 | D105-R109 WeakPolarHBondContact O-CD 3.34Å; D105-R109 WeakPolarHBondContact O-CG 3.44Å; L106-R109 PolarHBondContact O-N 3.47Å; L106-R109 VanDerWaalsContact O-N 3.07Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-R109 VanDerWaalsContact O-N 3.13Å |
| 110 | E | 60.9 | Low | 55.2 | Low | 115 Ų | 115 | 81.7 Ų | 81.7 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -84.5 | -26.7 | 173 | -66.9 | -175.9 | 177.4 | 0 | 0 | 112 | L106 L107 P112 | L106-E110 HydrophobicContact CD2-CG 4.34Å; L106-E110 PolarHBondContact O-N 3.46Å; L107-E110 PolarHBondContact O-N 3.44Å; E110-P112 WeakPolarHBondContact O-CD 3.37Å |
| 111 | C | 60.5 | Low | 56.4 | Low | 7 Ų | 7 | 76.7 Ų | 76.7 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -106.6 | 74.4 | 168.6 | -58.1 | 0 | 0 | 0 | 0 | 109.9 | C74 L107 F113 | C74-C111 HydrophobicContact CB-CB 3.8Å; C74-C111 WeakPolarHBondContact CB-SG 3.41Å; C74-C111 VanDerWaalsContact SG-CA 3.58Å; C74-C111 WeakPolarHBondContact SG-CB 3.13Å; C74-C111 CovalentContact SG-SG 2.04Å; C74-C111 PolarHBondContact SG-SG 3.14Å; L107-C111 WeakPolarHBondContact O-CA 3.24Å; L107-C111 WeakPolarHBondContact O-CB 3.11Å; L107-C111 PolarHBondContact O-N 2.97Å; C111-F113 HydrophobicContact CB-CD2 3.73Å; C111-F113 HydrophobicContact CB-CE2 3.64Å; C111-F113 VanDerWaalsContact O-CD2 3.29Å; C111-F113 WeakPolarHBondContact O-CD2 3.23Å; C111-F113 PolarHBondContact O-N 3.05Å |
| 112 | P | 54.7 | Low | 57.9 | Low | 106 Ų | 106 | 71.9 Ų | 71.9 | 69% | 0.688 | 39% | 0.385 | S | S | * | . | trans | -75.7 | 73.6 | -177.4 | 33.2 | -38.2 | 0 | 0 | 0 | 111.7 | E110 | E110-P112 WeakPolarHBondContact O-CD 3.37Š| ||
| 113 | F | 55.8 | Low | 59.4 | Low | 60 Ų | 60 | 70 Ų | 70 | 26% | 0.263 | 38% | 0.376 | S | S | . | . | trans | -88.8 | 156.4 | 171.2 | -66.5 | -79.2 | 0 | 0 | 0 | 110.7 | Y52 R72 C74 C111 I115 | Y52-F113 HydrophobicContact CD2-CD2 4.08Å; Y52-F113 HydrophobicContact CE2-CD2 4.18Å; R72-F113 HydrophobicContact CB-CE1 3.85Å; R72-F113 HydrophobicContact CB-CZ 4.45Å; R72-F113 WeakPolarHBondContact O-CE1 3.47Å; R72-F113 VanDerWaalsContact O-CZ 3.24Å; R72-F113 WeakPolarHBondContact O-CZ 3.39Å; C74-F113 HydrophobicContact CB-CE2 3.7Å; C74-F113 HydrophobicContact CB-CZ 4.24Å; C111-F113 HydrophobicContact CB-CD2 3.73Å; C111-F113 HydrophobicContact CB-CE2 3.64Å; C111-F113 VanDerWaalsContact O-CD2 3.29Å; C111-F113 WeakPolarHBondContact O-CD2 3.23Å; C111-F113 PolarHBondContact O-N 3.05Å; F113-I115 PolarHBondContact O-N 3.44Å | ||
| 114 | I | 47.7 | Very low | 60.7 | Low | 164 Ų | 164 | 69.8 Ų | 69.8 | 84% | 0.841 | 37% | 0.369 | S | S | * | . | trans | -71.7 | 104 | 170.4 | -61.2 | 174.2 | 0 | 0 | 0 | 106.2 | D116 | I114-D116 PolarHBondContact O-N 2.91Š| ||
| 115 | I | 49.4 | Very low | 62.1 | Low | 89 Ų | 89 | 67.9 Ų | 67.9 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | trans | -69.5 | 109.5 | 179.7 | -61.8 | 172.6 | 0 | 0 | 0 | 108.2 | T108 F113 | T108-I115 HydrophobicContact CG2-CD1 3.91Å; F113-I115 PolarHBondContact O-N 3.44Å | ||
| 116 | D | 49.9 | Very low | 63.3 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -73.2 | 128.9 | 137.8 | -76.4 | -51.2 | 0 | 0 | 0 | 106.3 | H69 I114 A118 A119 | H69-D116 IonicContact CE1-OD2 2.72Å; H69-D116 PolarHBondContact CE1-OD2 2.99Å; I114-D116 PolarHBondContact O-N 2.91Å; D116-A118 PolarHBondContact O-N 2.95Å; D116-A119 PolarHBondContact O-N 2.96Å | ||
| 117 | D | 52.1 | Low | 64.6 | Low | 166 Ų | 166 | 65.4 Ų | 65.4 | 89% | 0.888 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 22.2 | -169.9 | -63.3 | -57.8 | 0 | 0 | 0 | 115.4 | ||
| 118 | A | 51.5 | Low | 65.8 | Low | 50 Ų | 50 | 66.5 Ų | 66.5 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 11.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | R67 D116 | R67-A118 WeakPolarHBondContact CD-O 3.44Å; D116-A118 PolarHBondContact O-N 2.95Å |
| 119 | A | 59.5 | Low | 67 | Low | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | trans | -100.3 | 105 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y52 D116 | Y52-A119 HydrophobicContact CD1-CB 4.17Å; Y52-A119 HydrophobicContact CE1-CB 3.72Å; Y52-A119 WeakPolarHBondContact CE1-O 3.15Å; Y52-A119 PolarHBondContact OH-O 2.93Å; D116-A119 PolarHBondContact O-N 2.96Å | ||
| 120 | E | 64.7 | Low | 67.9 | Low | 99 Ų | 99 | 58.9 Ų | 58.9 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | trans | -76.6 | 134.1 | 167.9 | -66.7 | -172.4 | 137.8 | 0 | 0 | 109.8 | ||||
| 121 | P | 69.2 | Low | 68.9 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -64.4 | 156.1 | 174.6 | 24.2 | -28.5 | 0 | 0 | 0 | 110.4 | Y29 Y52 L107 | Y29-P121 VanDerWaalsContact CB-O 3.22Å; Y29-P121 WeakPolarHBondContact CB-O 3.42Å; Y29-P121 HydrophobicContact CD2-CG 3.96Å; Y29-P121 HydrophobicContact CG-CG 3.98Å; Y29-P121 PolarHBondContact N-O 2.92Å; Y52-P121 HydrophobicContact CE1-CB 4.16Å; L107-P121 HydrophobicContact CD1-CG 4.3Å | ||
| 122 | T | 76.5 | Confident | 69.6 | Low | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.8 | -169.4 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | F50 G51 F53 C66 | F50-T122 WeakPolarHBondContact CA-O 3.43Å; G51-T122 PolarHBondContact N-O 3.1Å; G51-T122 PolarHBondContact O-N 2.75Å; G51-T122 PolarHBondContact O-OG1 2.8Å; F53-T122 WeakPolarHBondContact CD2-OG1 3.17Å; F53-T122 WeakPolarHBondContact CE2-O 3.39Å; F53-T122 PolarHBondContact N-OG1 3.05Å; F53-T122 VanDerWaalsContact N-OG1 3.1Å; C66-T122 HydrophobicContact CB-CG2 3.34Å; C66-T122 VanDerWaalsContact SG-CG2 3.52Å |
| 123 | L | 82.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 170.6 | 179.1 | 71.4 | 0 | 0 | 0 | 108.5 | L26 S27 L33 H49 F50 V78 I82 V96 V125 | L26-L123 WeakPolarHBondContact CA-O 3.19Å; S27-L123 PolarHBondContact N-O 3.01Å; S27-L123 VanDerWaalsContact N-O 3.09Å; S27-L123 PolarHBondContact O-N 3.22Å; L33-L123 HydrophobicContact CD1-CD2 4.41Å; L33-L123 HydrophobicContact CD2-CD2 4.31Å; H49-L123 WeakPolarHBondContact O-CA 3.22Å; F50-L123 HydrophobicContact CD1-CB 4.32Å; F50-L123 HydrophobicContact CD2-CD1 4.02Å; F50-L123 HydrophobicContact CE1-CB 4Å; F50-L123 HydrophobicContact CE1-CD1 4.42Å; F50-L123 HydrophobicContact CE2-CD1 3.88Å; F50-L123 HydrophobicContact CG-CD1 4.37Å; F50-L123 HydrophobicContact CZ-CB 4.31Å; F50-L123 HydrophobicContact CZ-CD1 4.1Å; V78-L123 HydrophobicContact CG2-CD1 3.55Å; I82-L123 HydrophobicContact CD1-CD1 4.32Å; I82-L123 HydrophobicContact CD1-CD2 3.72Å; I82-L123 HydrophobicContact CG1-CD1 4.16Å; I82-L123 HydrophobicContact CG1-CD2 4.17Å; V96-L123 HydrophobicContact CG1-CB 3.57Å; V96-L123 HydrophobicContact CG1-CD2 4.07Å; V96-L123 HydrophobicContact CG1-CG 4.43Å; V96-L123 HydrophobicContact CG2-CB 4.44Å; V96-L123 HydrophobicContact CG2-CD2 3.92Å; L123-V125 HydrophobicContact CD1-CG2 4.29Å; L123-V125 HydrophobicContact CD2-CG2 3.69Å; L123-V125 HydrophobicContact CG-CG2 3.64Å |
| 124 | F | 82.9 | Confident | 71.1 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137.5 | 164.4 | 173.1 | -97.3 | 0 | 0 | 0 | 108.8 | W24 L26 A48 H49 F53 E126 | W24-F124 HydrophobicContact CB-CE2 3.69Å; W24-F124 HydrophobicContact CB-CZ 4.02Å; W24-F124 HydrophobicContact CD2-CE2 4.23Å; W24-F124 HydrophobicContact CE3-CD2 4.48Å; W24-F124 HydrophobicContact CE3-CE2 4.21Å; W24-F124 HydrophobicContact CG-CE2 4.03Å; L26-F124 HydrophobicContact CD1-CB 4.08Å; L26-F124 HydrophobicContact CD1-CD2 4.49Å; A48-F124 CarbonylContact C-O 3.57Å; A48-F124 VanDerWaalsContact CA-O 3.23Å; A48-F124 WeakPolarHBondContact CA-O 3.41Å; H49-F124 PolarHBondContact N-O 3.33Å; H49-F124 PolarHBondContact O-N 3.38Å; F53-F124 HydrophobicContact CD2-CB 3.61Å; F53-F124 HydrophobicContact CE1-CB 4.37Å; F53-F124 HydrophobicContact CE2-CB 3.4Å; F53-F124 HydrophobicContact CG-CB 4.21Å; F53-F124 HydrophobicContact CZ-CB 3.81Å; F124-E126 HydrophobicContact CE1-CB 4.08Å; F124-E126 HydrophobicContact CZ-CB 4.22Å |
| 125 | V | 84.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 120.1 | 177 | -170 | 0 | 0 | 0 | 0 | 109.6 | W24 E25 L33 I35 I45 A48 I82 L123 | W24-V125 CarbonylContact C-O 3.55Å; W24-V125 WeakPolarHBondContact CA-O 3.39Å; E25-V125 PolarHBondContact N-O 3.45Å; E25-V125 PolarHBondContact O-N 3.39Å; L33-V125 HydrophobicContact CD1-CB 4.41Å; L33-V125 HydrophobicContact CD1-CG2 3.77Å; L33-V125 HydrophobicContact CD2-CG2 3.93Å; I35-V125 HydrophobicContact CD1-CG1 4.07Å; I45-V125 HydrophobicContact CD1-CG1 3.75Å; I45-V125 HydrophobicContact CG2-CG1 3.86Å; A48-V125 HydrophobicContact CB-CB 4.42Å; A48-V125 HydrophobicContact CB-CG1 4.16Å; A48-V125 HydrophobicContact CB-CG2 4.15Å; I82-V125 HydrophobicContact CG2-CG1 3.95Å; I82-V125 HydrophobicContact CG2-CG2 4.16Å; L123-V125 HydrophobicContact CD1-CG2 4.29Å; L123-V125 HydrophobicContact CD2-CG2 3.69Å; L123-V125 HydrophobicContact CG-CG2 3.64Å |
| 126 | E | 84.9 | Confident | 72.7 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.9 | 169.7 | -174.3 | 180 | -149.2 | 0 | 0 | 109.7 | A22 H46 E47 F124 | A22-E126 HydrophobicContact CB-CG 3.81Å; A22-E126 WeakPolarHBondContact CB-OE1 3.37Å; H46-E126 HydrophobicContact CB-CG 4.34Å; H46-E126 PolarHBondContact N-O 2.92Å; E47-E126 HydrophobicContact CB-CB 4.44Å; E47-E126 PolarHBondContact O-N 3.39Å; F124-E126 HydrophobicContact CE1-CB 4.08Å; F124-E126 HydrophobicContact CZ-CB 4.22Å |
| 127 | Y | 87.1 | Confident | 73.3 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156.9 | -175.2 | 67.1 | -88.9 | 0 | 0 | 0 | 114.2 | A22 D23 E25 I35 I44 | A22-Y127 CarbonylContact C-O 3.55Å; A22-Y127 WeakPolarHBondContact CA-O 3.34Å; D23-Y127 HydrophobicContact CB-CD1 4.49Å; D23-Y127 HydrophobicContact CB-CD2 4.19Å; D23-Y127 HydrophobicContact CB-CE1 3.94Å; D23-Y127 HydrophobicContact CB-CE2 3.58Å; D23-Y127 VanDerWaalsContact CB-CZ 3.45Å; D23-Y127 PolarHBondContact N-O 3.15Å; D23-Y127 VanDerWaalsContact O-CD1 3.3Å; D23-Y127 WeakPolarHBondContact O-CD1 3.5Å; D23-Y127 PolarHBondContact O-N 3.22Å; E25-Y127 HydrophobicContact CB-CE1 4.13Å; I35-Y127 HydrophobicContact CD1-CD1 3.84Å; I35-Y127 HydrophobicContact CD1-CE1 4.22Å; I35-Y127 HydrophobicContact CD1-CG 4.14Å; I35-Y127 HydrophobicContact CG1-CD1 4.11Å; I35-Y127 HydrophobicContact CG1-CE1 3.96Å; I35-Y127 HydrophobicContact CG2-CD1 4.26Å; I35-Y127 HydrophobicContact CG2-CD2 3.65Å; I35-Y127 HydrophobicContact CG2-CE1 4.07Å; I35-Y127 HydrophobicContact CG2-CE2 3.43Å; I35-Y127 VanDerWaalsContact CG2-CE2 3.43Å; I35-Y127 HydrophobicContact CG2-CG 4.07Å; I44-Y127 CarbonylContact O-C 3.52Å; I44-Y127 WeakPolarHBondContact O-CA 3.38Å; I44-Y127 WeakPolarHBondContact O-CB 3.44Å |
| 128 | D | 84.2 | Confident | 73.7 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.2 | 169.3 | -91.5 | -31.6 | 0 | 0 | 0 | 111.4 | I44 H46 I130 | I44-D128 PolarHBondContact N-O 2.9Å; I44-D128 PolarHBondContact O-N 2.86Å; H46-D128 IonicContact CD2-OD2 2.65Å; H46-D128 IonicContact CE1-OD2 3.61Å; H46-D128 PolarHBondContact CE1-OD2 3.36Å; H46-D128 IonicContact NE2-OD2 3.27Å; H46-D128 PolarHBondContact NE2-OD2 3.25Å; D128-I130 HydrophobicContact CB-CD1 4.11Å; D128-I130 HydrophobicContact CB-CG1 3.72Å |
| 129 | C | 86.7 | Confident | 74.2 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 84.4 | 167.9 | -71.1 | 0 | 0 | 0 | 0 | 111.2 | C37 K41 | C37-C129 VanDerWaalsContact CA-SG 3.51Å; C37-C129 HydrophobicContact CB-CB 3.71Å; C37-C129 WeakPolarHBondContact CB-SG 3.32Å; C37-C129 WeakPolarHBondContact SG-CA 3.3Å; C37-C129 WeakPolarHBondContact SG-CB 3.4Å; C37-C129 CovalentContact SG-SG 2.03Å; C37-C129 PolarHBondContact SG-SG 3.29Å; K41-C129 HydrophobicContact CB-CB 4.26Å; K41-C129 HydrophobicContact CD-CB 3.92Å; K41-C129 WeakPolarHBondContact CD-O 3.4Å |
| 130 | I | 80.5 | Confident | 74.3 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.205 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.4 | -174.8 | -54.2 | -162.4 | 0 | 0 | 0 | 111.5 | K41 T42 I44 D128 T132 L134 | K41-I130 CarbonylContact C-O 3.59Å; K41-I130 WeakPolarHBondContact CA-O 3.41Å; T42-I130 PolarHBondContact N-O 3.5Å; T42-I130 PolarHBondContact O-N 2.83Å; T42-I130 PolarHBondContact OG1-O 3.4Å; I44-I130 HydrophobicContact CD1-CB 3.94Å; I44-I130 HydrophobicContact CD1-CD1 3.71Å; I44-I130 HydrophobicContact CD1-CG1 3.91Å; D128-I130 HydrophobicContact CB-CD1 4.11Å; D128-I130 HydrophobicContact CB-CG1 3.72Å; I130-T132 PolarHBondContact O-N 2.83Å; I130-L134 HydrophobicContact CG2-CB 4.12Å; I130-L134 HydrophobicContact CG2-CD1 4.11Å; I130-L134 HydrophobicContact CG2-CD2 4.07Å; I130-L134 HydrophobicContact CG2-CG 4.33Å |
| 131 | P | 82.2 | Confident | 74.1 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 135.9 | 178.2 | -29.4 | 36.7 | 0 | 0 | 0 | 115.2 | T133 L134 | P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.09Å; P131-L134 WeakPolarHBondContact O-CB 3.41Å; P131-L134 PolarHBondContact O-N 3.44Å |
| 132 | T | 75.4 | Confident | 73.3 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -51.9 | -30.4 | 172.9 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | E40 T42 I130 L134 V135 T136 | E40-T132 WeakPolarHBondContact O-CB 3.39Å; E40-T132 VanDerWaalsContact O-CG2 3.26Å; E40-T132 WeakPolarHBondContact O-CG2 3.15Å; E40-T132 PolarHBondContact O-N 2.84Å; E40-T132 PolarHBondContact O-OG1 2.85Å; T42-T132 HydrophobicContact CG2-CG2 3.77Å; I130-T132 PolarHBondContact O-N 2.83Å; T132-L134 PolarHBondContact O-N 2.86Å; T132-V135 PolarHBondContact O-N 2.73Å; T132-T136 WeakPolarHBondContact O-CB 3.43Å; T132-T136 WeakPolarHBondContact O-CG2 3.48Å; T132-T136 PolarHBondContact O-N 3.36Å; T132-T136 PolarHBondContact O-OG1 3.12Å |
| 133 | T | 73.3 | Confident | 72.3 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.1 | -17.3 | 177.3 | 56 | 0 | 0 | 0 | 0 | 114 | P131 T136 R137 | P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.09Å; T133-T136 WeakPolarHBondContact CA-OG1 3.47Å; T133-R137 WeakPolarHBondContact O-CG 3.49Å |
| 134 | L | 68.1 | Low | 71.2 | Confident | 85 Ų | 85 | 64.3 Ų | 64.3 | 45% | 0.445 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -89.7 | -44.4 | 173.6 | -167.4 | 151.3 | 0 | 0 | 0 | 110.3 | I130 P131 T132 R137 I138 | I130-L134 HydrophobicContact CG2-CB 4.12Å; I130-L134 HydrophobicContact CG2-CD1 4.11Å; I130-L134 HydrophobicContact CG2-CD2 4.07Å; I130-L134 HydrophobicContact CG2-CG 4.33Å; P131-L134 WeakPolarHBondContact O-CB 3.41Å; P131-L134 PolarHBondContact O-N 3.44Å; T132-L134 PolarHBondContact O-N 2.86Å; L134-R137 PolarHBondContact O-N 3.29Å; L134-I138 HydrophobicContact CD2-CD1 3.8Å; L134-I138 PolarHBondContact O-N 2.85Å; L134-I138 VanDerWaalsContact O-N 3.15Å |
| 135 | V | 64.6 | Low | 70.1 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | T42 I44 T132 R137 I138 S139 I149 | T42-V135 VanDerWaalsContact OG1-CG2 3.29Å; T42-V135 WeakPolarHBondContact OG1-CG2 3.43Å; I44-V135 HydrophobicContact CD1-CG2 4.36Å; T132-V135 PolarHBondContact O-N 2.73Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 3.26Å; V135-I138 PolarHBondContact O-N 3.02Å; V135-S139 PolarHBondContact O-N 3.04Å; V135-I149 HydrophobicContact CG1-CB 4.21Å; V135-I149 HydrophobicContact CG1-CD1 3.71Å; V135-I149 HydrophobicContact CG1-CG2 4.08Å; V135-I149 HydrophobicContact CG2-CG2 4.24Å; V135-I149 VanDerWaalsContact O-CD1 3.24Å; V135-I149 WeakPolarHBondContact O-CD1 3.31Å |
| 136 | T | 65.8 | Low | 68.8 | Low | 73 Ų | 73 | 69.9 Ų | 69.9 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 177.1 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | T132 T133 N140 | T132-T136 WeakPolarHBondContact O-CB 3.43Å; T132-T136 WeakPolarHBondContact O-CG2 3.48Å; T132-T136 PolarHBondContact O-N 3.36Å; T132-T136 PolarHBondContact O-OG1 3.12Å; T133-T136 WeakPolarHBondContact CA-OG1 3.47Å; T136-N140 WeakPolarHBondContact O-CB 3.49Å; T136-N140 VanDerWaalsContact O-CG 3.26Å; T136-N140 PolarHBondContact O-N 2.94Å; T136-N140 VanDerWaalsContact O-N 3.09Å; T136-N140 PolarHBondContact O-ND2 3.33Å |
| 137 | R | 63.7 | Low | 67.3 | Low | 170 Ų | 170 | 73.3 Ų | 73.3 | 64% | 0.642 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67 | -48.7 | 171 | -73.1 | 176.6 | -174.2 | -175.9 | 4 | 111.5 | T133 L134 V135 S139 N140 E141 | T133-R137 WeakPolarHBondContact O-CG 3.49Å; L134-R137 PolarHBondContact O-N 3.29Å; V135-R137 VanDerWaalsContact C-N 3.31Å; V135-R137 PolarHBondContact O-N 3.26Å; R137-S139 VanDerWaalsContact C-N 3.26Å; R137-S139 PolarHBondContact O-N 3.31Å; R137-N140 PolarHBondContact O-N 2.88Å; R137-E141 WeakPolarHBondContact O-CB 3.47Å; R137-E141 WeakPolarHBondContact O-CG 3.37Å; R137-E141 PolarHBondContact O-N 3.47Å |
| 138 | I | 59.4 | Low | 65.8 | Low | 28 Ų | 28 | 75.3 Ų | 75.3 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 177.5 | -67.8 | 174.4 | 0 | 0 | 0 | 111.1 | L134 V135 N142 I149 Y152 L153 | L134-I138 HydrophobicContact CD2-CD1 3.8Å; L134-I138 PolarHBondContact O-N 2.85Å; L134-I138 VanDerWaalsContact O-N 3.15Å; V135-I138 PolarHBondContact O-N 3.02Å; I138-N142 WeakPolarHBondContact O-CB 3.08Å; I138-N142 PolarHBondContact O-N 3.2Å; I138-N142 PolarHBondContact O-ND2 2.82Å; I138-I149 HydrophobicContact CB-CD1 4.21Å; I138-I149 HydrophobicContact CG2-CD1 4.06Å; I138-I149 HydrophobicContact CG2-CG1 4.34Å; I138-I149 HydrophobicContact CG2-CG2 4.34Å; I138-Y152 HydrophobicContact CG2-CD1 3.9Å; I138-Y152 HydrophobicContact CG2-CE1 3.79Å; I138-L153 HydrophobicContact CD1-CD2 3.98Å |
| 139 | S | 62.1 | Low | 64.4 | Low | 24 Ų | 24 | 74 Ų | 74 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.8 | -52 | 176.3 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | V135 R137 H143 V144 | V135-S139 PolarHBondContact O-N 3.04Å; R137-S139 VanDerWaalsContact C-N 3.26Å; R137-S139 PolarHBondContact O-N 3.31Å; S139-H143 WeakPolarHBondContact O-CA 3.44Å; S139-H143 PolarHBondContact O-N 3.5Å; S139-V144 WeakPolarHBondContact CA-O 3.41Å; S139-V144 WeakPolarHBondContact CB-O 3.19Å; S139-V144 PolarHBondContact O-N 3.32Å; S139-V144 PolarHBondContact OG-O 2.88Å |
| 140 | N | 62 | Low | 62.4 | Low | 128 Ų | 128 | 72.5 Ų | 72.5 | 68% | 0.684 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.8 | -35.6 | -178.1 | -73 | -23.3 | 0 | 0 | 0 | 113.5 | T136 R137 | T136-N140 WeakPolarHBondContact O-CB 3.49Å; T136-N140 VanDerWaalsContact O-CG 3.26Å; T136-N140 PolarHBondContact O-N 2.94Å; T136-N140 VanDerWaalsContact O-N 3.09Å; T136-N140 PolarHBondContact O-ND2 3.33Å; R137-N140 PolarHBondContact O-N 2.88Å |
| 141 | E | 59.3 | Low | 60.8 | Low | 139 Ų | 139 | 71.3 Ų | 71.3 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -83.3 | -25.9 | -176.9 | -69.2 | 178.6 | 165.4 | 0 | 0 | 113.1 | R137 | R137-E141 WeakPolarHBondContact O-CB 3.47Å; R137-E141 WeakPolarHBondContact O-CG 3.37Å; R137-E141 PolarHBondContact O-N 3.47Å |
| 142 | N | 54.2 | Low | 58.9 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -118.4 | 1.2 | -174.4 | -56.1 | -78.3 | 0 | 0 | 0 | 114.9 | I138 V144 Y152 | I138-N142 WeakPolarHBondContact O-CB 3.08Å; I138-N142 PolarHBondContact O-N 3.2Å; I138-N142 PolarHBondContact O-ND2 2.82Å; N142-V144 VanDerWaalsContact C-N 3.3Å; N142-V144 HydrophobicContact CB-CG2 3.89Å; N142-V144 PolarHBondContact O-N 3.43Å; N142-Y152 PolarHBondContact OD1-OH 3.42Å |
| 143 | H | 54.9 | Low | 57.5 | Low | 177 Ų | 177 | 72.8 Ų | 72.8 | 82% | 0.819 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 39.6 | -174.3 | -55.8 | -56.3 | 0 | 0 | 0 | 113.9 | S139 | S139-H143 WeakPolarHBondContact O-CA 3.44Å; S139-H143 PolarHBondContact O-N 3.5Å |
| 144 | V | 58.7 | Low | 56.2 | Low | 17 Ų | 17 | 71.4 Ų | 71.4 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | trans | -101.9 | 123.5 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | S139 N142 Q148 I149 Y152 | S139-V144 WeakPolarHBondContact CA-O 3.41Å; S139-V144 WeakPolarHBondContact CB-O 3.19Å; S139-V144 PolarHBondContact O-N 3.32Å; S139-V144 PolarHBondContact OG-O 2.88Å; N142-V144 VanDerWaalsContact C-N 3.3Å; N142-V144 HydrophobicContact CB-CG2 3.89Å; N142-V144 PolarHBondContact O-N 3.43Å; V144-Q148 HydrophobicContact CG1-CB 3.94Å; V144-I149 HydrophobicContact CB-CG1 4.08Å; V144-I149 HydrophobicContact CG1-CG1 3.64Å; V144-Y152 HydrophobicContact CG1-CD2 4.48Å; V144-Y152 HydrophobicContact CG1-CG 4.2Å; V144-Y152 HydrophobicContact CG2-CD1 4.36Å; V144-Y152 HydrophobicContact CG2-CD2 3.77Å; V144-Y152 HydrophobicContact CG2-CE1 4.43Å; V144-Y152 HydrophobicContact CG2-CE2 3.85Å; V144-Y152 HydrophobicContact CG2-CG 4.04Å | ||
| 145 | D | 60.9 | Low | 54.9 | Low | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | trans | -57.5 | 139.8 | 175 | -57.2 | -55.9 | 0 | 0 | 0 | 110.4 | E147 Q148 I149 | D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.43Å; D145-Q148 HydrophobicContact CB-CB 4.46Å; D145-Q148 HydrophobicContact CB-CG 4.05Å; D145-Q148 WeakPolarHBondContact O-CA 3.24Å; D145-Q148 WeakPolarHBondContact O-CB 3.31Å; D145-Q148 PolarHBondContact O-N 2.8Å; D145-Q148 PolarHBondContact OD2-NE2 2.86Å; D145-I149 PolarHBondContact O-N 3.43Å | ||
| 146 | P | 56 | Low | 53.5 | Low | 69 Ų | 69 | 74.4 Ų | 74.4 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -59.4 | -35.4 | -173.7 | 21 | -32.3 | 0 | 0 | 0 | 113.8 | Q148 I149 | P146-Q148 PolarHBondContact O-N 2.63Å; P146-Q148 VanDerWaalsContact O-N 3.16Å; P146-I149 PolarHBondContact O-N 2.74Å; P146-I149 VanDerWaalsContact O-N 3.14Å |
| 147 | E | 55.3 | Low | 52.3 | Low | 137 Ų | 137 | 77.9 Ų | 77.9 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -61 | -19.5 | 172.7 | -58.5 | -179 | 168.6 | 0 | 0 | 113.4 | D145 | D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.43Å |
| 148 | Q | 54.4 | Low | 50.7 | Low | 70 Ų | 70 | 77.5 Ų | 77.5 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -100.3 | -4.5 | -178.8 | -57.7 | 173.5 | 25.7 | 0 | 0 | 112.3 | V144 D145 P146 G151 Y152 | V144-Q148 HydrophobicContact CG1-CB 3.94Å; D145-Q148 HydrophobicContact CB-CB 4.46Å; D145-Q148 HydrophobicContact CB-CG 4.05Å; D145-Q148 WeakPolarHBondContact O-CA 3.24Å; D145-Q148 WeakPolarHBondContact O-CB 3.31Å; D145-Q148 PolarHBondContact O-N 2.8Å; D145-Q148 PolarHBondContact OD2-NE2 2.86Å; P146-Q148 PolarHBondContact O-N 2.63Å; P146-Q148 VanDerWaalsContact O-N 3.16Å; Q148-G151 CarbonylContact O-C 3.6Å; Q148-G151 WeakPolarHBondContact O-CA 3.44Å; Q148-G151 PolarHBondContact O-N 2.91Å; Q148-Y152 WeakPolarHBondContact O-CB 3.35Å; Q148-Y152 PolarHBondContact O-N 3.21Å |
| 149 | I | 55.6 | Low | 49.6 | Very low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.4 | -38.7 | -170.1 | -75.4 | -179.8 | 0 | 0 | 0 | 113.5 | V135 I138 V144 D145 P146 G151 Y152 L153 | V135-I149 HydrophobicContact CG1-CB 4.21Å; V135-I149 HydrophobicContact CG1-CD1 3.71Å; V135-I149 HydrophobicContact CG1-CG2 4.08Å; V135-I149 HydrophobicContact CG2-CG2 4.24Å; V135-I149 VanDerWaalsContact O-CD1 3.24Å; V135-I149 WeakPolarHBondContact O-CD1 3.31Å; I138-I149 HydrophobicContact CB-CD1 4.21Å; I138-I149 HydrophobicContact CG2-CD1 4.06Å; I138-I149 HydrophobicContact CG2-CG1 4.34Å; I138-I149 HydrophobicContact CG2-CG2 4.34Å; V144-I149 HydrophobicContact CB-CG1 4.08Å; V144-I149 HydrophobicContact CG1-CG1 3.64Å; D145-I149 PolarHBondContact O-N 3.43Å; P146-I149 PolarHBondContact O-N 2.74Å; P146-I149 VanDerWaalsContact O-N 3.14Å; I149-G151 VanDerWaalsContact C-N 3.28Å; I149-G151 PolarHBondContact O-N 3.49Å; I149-Y152 WeakPolarHBondContact O-CB 3.3Å; I149-Y152 PolarHBondContact O-N 2.86Å; I149-Y152 VanDerWaalsContact O-N 3.14Å; I149-L153 HydrophobicContact CG2-CD1 3.81Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.1Å; I149-L153 PolarHBondContact O-N 3.08Å |
| 150 | G | 44.5 | Very low | 48.5 | Very low | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y152 L153 I154 | G150-Y152 VanDerWaalsContact C-N 3.35Å; G150-Y152 PolarHBondContact O-N 2.86Å; G150-L153 PolarHBondContact O-N 2.56Å; G150-I154 VanDerWaalsContact O-CD1 3.24Å; G150-I154 WeakPolarHBondContact O-CD1 3.39Å; G150-I154 WeakPolarHBondContact O-CG1 3.07Å; G150-I154 PolarHBondContact O-N 3.42Å |
| 151 | G | 45.5 | Very low | 47.3 | Very low | 15 Ų | 15 | 80.9 Ų | 80.9 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -54 | -50.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q148 I149 L153 S155 | Q148-G151 CarbonylContact O-C 3.6Å; Q148-G151 WeakPolarHBondContact O-CA 3.44Å; Q148-G151 PolarHBondContact O-N 2.91Å; I149-G151 VanDerWaalsContact C-N 3.28Å; I149-G151 PolarHBondContact O-N 3.49Å; G151-L153 PolarHBondContact O-N 3.14Å; G151-S155 WeakPolarHBondContact O-CB 3.14Å; G151-S155 PolarHBondContact O-N 3.33Å; G151-S155 PolarHBondContact O-OG 2.89Å |
| 152 | Y | 43.3 | Very low | 46.3 | Very low | 78 Ų | 78 | 78.4 Ų | 78.4 | 31% | 0.306 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 179 | 179.9 | -104.1 | 0 | 0 | 0 | 113.5 | I138 N142 V144 Q148 I149 G150 | I138-Y152 HydrophobicContact CG2-CD1 3.9Å; I138-Y152 HydrophobicContact CG2-CE1 3.79Å; N142-Y152 PolarHBondContact OD1-OH 3.42Å; V144-Y152 HydrophobicContact CG1-CD2 4.48Å; V144-Y152 HydrophobicContact CG1-CG 4.2Å; V144-Y152 HydrophobicContact CG2-CD1 4.36Å; V144-Y152 HydrophobicContact CG2-CD2 3.77Å; V144-Y152 HydrophobicContact CG2-CE1 4.43Å; V144-Y152 HydrophobicContact CG2-CE2 3.85Å; V144-Y152 HydrophobicContact CG2-CG 4.04Å; Q148-Y152 WeakPolarHBondContact O-CB 3.35Å; Q148-Y152 PolarHBondContact O-N 3.21Å; I149-Y152 WeakPolarHBondContact O-CB 3.3Å; I149-Y152 PolarHBondContact O-N 2.86Å; I149-Y152 VanDerWaalsContact O-N 3.14Å; G150-Y152 VanDerWaalsContact C-N 3.35Å; G150-Y152 PolarHBondContact O-N 2.86Å |
| 153 | L | 47 | Very low | 45.9 | Very low | 58 Ų | 58 | 80.9 Ų | 80.9 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.9 | -41.7 | 179.6 | -71.9 | 169.4 | 0 | 0 | 0 | 112.9 | I44 I138 I149 G150 G151 | I44-L153 HydrophobicContact CD1-CD1 3.43Å; I44-L153 VanDerWaalsContact CD1-CD1 3.43Å; I44-L153 HydrophobicContact CG1-CD1 4.05Å; I44-L153 HydrophobicContact CG2-CD1 4.34Å; I138-L153 HydrophobicContact CD1-CD2 3.98Å; I149-L153 HydrophobicContact CG2-CD1 3.81Å; I149-L153 HydrophobicContact CG2-CG 4.21Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.1Å; I149-L153 PolarHBondContact O-N 3.08Å; G150-L153 PolarHBondContact O-N 2.56Å; G151-L153 PolarHBondContact O-N 3.14Å |
| 154 | I | 45.2 | Very low | 45.1 | Very low | 61 Ų | 61 | 76 Ų | 76 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 175.2 | -61.1 | 158.5 | 0 | 0 | 0 | 110.5 | I45 T79 G150 L156 | I45-I154 HydrophobicContact CB-CD1 4.41Å; I45-I154 WeakPolarHBondContact O-CD1 2.7Å; I45-I154 WeakPolarHBondContact O-CG1 3.41Å; T79-I154 HydrophobicContact CG2-CD1 4.18Å; T79-I154 HydrophobicContact CG2-CG2 3.94Å; G150-I154 VanDerWaalsContact O-CD1 3.24Å; G150-I154 WeakPolarHBondContact O-CD1 3.39Å; G150-I154 WeakPolarHBondContact O-CG1 3.07Å; G150-I154 PolarHBondContact O-N 3.42Å; I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.21Å |
| 155 | S | 40 | Very low | 43.8 | Very low | 17 Ų | 17 | 78.6 Ų | 78.6 | 12% | 0.119 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 33.2 | -166.7 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | G151 D157 Y158 N159 | G151-S155 WeakPolarHBondContact O-CB 3.14Å; G151-S155 PolarHBondContact O-N 3.33Å; G151-S155 PolarHBondContact O-OG 2.89Å; S155-D157 PolarHBondContact O-N 3.31Å; S155-Y158 PolarHBondContact O-N 3.19Å; S155-N159 PolarHBondContact O-N 3.04Å; S155-N159 WeakPolarHBondContact OG-CB 3.38Å |
| 156 | L | 36.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 74.9 Ų | 74.9 | 71% | 0.712 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -2.1 | 167.2 | -94.1 | 164.2 | 0 | 0 | 0 | 114.3 | I154 | I154-L156 VanDerWaalsContact C-N 3.35Å; I154-L156 PolarHBondContact O-N 3.21Å |
| 157 | D | 40.5 | Very low | 42 | Very low | 146 Ų | 146 | 79 Ų | 79 | 78% | 0.781 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 14 | 167.5 | -112.2 | -40.4 | 0 | 0 | 0 | 114.8 | S155 I161 | S155-D157 PolarHBondContact O-N 3.31Å; D157-I161 WeakPolarHBondContact O-CD1 3.42Å |
| 158 | Y | 30.2 | Very low | 41.3 | Very low | 163 Ų | 163 | 75.1 Ų | 75.1 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | -39.3 | -176.9 | -153.1 | -95.3 | 0 | 0 | 0 | 118.9 | S155 I161 | S155-Y158 PolarHBondContact O-N 3.19Å; Y158-I161 VanDerWaalsContact O-CB 3.32Å; Y158-I161 WeakPolarHBondContact O-CB 3.48Å; Y158-I161 PolarHBondContact O-N 2.8Å |
| 159 | N | 34.9 | Very low | 40.6 | Very low | 56 Ų | 56 | 76.9 Ų | 76.9 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -95.3 | -20.5 | -170.7 | -147.9 | -12.7 | 0 | 0 | 0 | 112.6 | S155 I161 V162 K163 | S155-N159 PolarHBondContact O-N 3.04Å; S155-N159 WeakPolarHBondContact OG-CB 3.38Å; N159-I161 PolarHBondContact O-N 3.39Å; N159-V162 PolarHBondContact O-N 3.44Å; N159-K163 PolarHBondContact O-N 3.14Å |
| 160 | E | 38.6 | Very low | 39.8 | Very low | 142 Ų | 142 | 79.7 Ų | 79.7 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.5 | -29.6 | 162.8 | -148.4 | -172.8 | -153 | 0 | 0 | 110.9 | S164 | E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 2.91Å; E160-S164 VanDerWaalsContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 3.46Å |
| 161 | I | 38.3 | Very low | 39.6 | Very low | 52 Ų | 52 | 84.5 Ų | 84.5 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 173.9 | -56.6 | -178.4 | 0 | 0 | 0 | 111.1 | D157 Y158 N159 S164 S166 R169 | D157-I161 WeakPolarHBondContact O-CD1 3.42Å; Y158-I161 VanDerWaalsContact O-CB 3.32Å; Y158-I161 WeakPolarHBondContact O-CB 3.48Å; Y158-I161 PolarHBondContact O-N 2.8Å; N159-I161 PolarHBondContact O-N 3.39Å; I161-S164 PolarHBondContact O-OG 3.44Å; I161-S166 PolarHBondContact O-OG 2.54Å; I161-R169 HydrophobicContact CG2-CB 3.76Å; I161-R169 HydrophobicContact CG2-CG 4.37Å |
| 162 | V | 36.8 | Very low | 39.5 | Very low | 87 Ų | 87 | 86 Ų | 86 | 53% | 0.527 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -75.6 | -38 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | N159 | N159-V162 PolarHBondContact O-N 3.44Å |
| 163 | K | 45.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 84.3 Ų | 84.3 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -87.9 | -15.7 | -175.8 | -70.7 | 179.4 | -179.1 | 170.9 | 0 | 115.3 | N159 G165 | N159-K163 PolarHBondContact O-N 3.14Å; K163-G165 PolarHBondContact O-N 3.02Å; K163-G165 VanDerWaalsContact O-N 3.08Å |
| 164 | S | 38.8 | Very low | 39.2 | Very low | 75 Ų | 75 | 87.1 Ų | 87.1 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 11 | -178.6 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | E160 I161 S166 | E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 2.91Å; E160-S164 VanDerWaalsContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 3.46Å; I161-S164 PolarHBondContact O-OG 3.44Å; S164-S166 PolarHBondContact OG-OG 3.22Å |
| 165 | G | 31.5 | Very low | 38.9 | Very low | 71 Ų | 71 | 85 Ų | 85 | 73% | 0.732 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | K163 | K163-G165 PolarHBondContact O-N 3.02Å; K163-G165 VanDerWaalsContact O-N 3.08Å |
| 166 | S | 38.7 | Very low | 38.9 | Very low | 12 Ų | 12 | 90.8 Ų | 90.8 | 8% | 0.084 | 47% | 0.474 | C | S | . | . | trans | -113.9 | 71.5 | -173.3 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | I161 S164 W168 R169 | I161-S166 PolarHBondContact O-OG 2.54Å; S164-S166 PolarHBondContact OG-OG 3.22Å; S166-W168 PolarHBondContact O-N 3.31Å; S166-R169 WeakPolarHBondContact O-CB 3.2Å; S166-R169 PolarHBondContact O-N 2.85Å; S166-R169 WeakPolarHBondContact OG-CD 3.43Å | ||
| 167 | E | 40.2 | Very low | 38.9 | Very low | 154 Ų | 154 | 89.4 Ų | 89.4 | 72% | 0.72 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -47.4 | -35.1 | 173.3 | -62.4 | 175.3 | 139.4 | 0 | 0 | 112.4 | R169 S170 H171 | E167-R169 VanDerWaalsContact C-N 3.27Å; E167-R169 PolarHBondContact O-N 2.63Å; E167-S170 WeakPolarHBondContact O-CB 3.21Å; E167-S170 PolarHBondContact O-N 2.83Å; E167-H171 PolarHBondContact O-CD2 2.99Å; E167-H171 PolarHBondContact O-N 2.62Å |
| 168 | W | 40.3 | Very low | 39 | Very low | 57 Ų | 57 | 84.8 Ų | 84.8 | 22% | 0.216 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.6 | -27.2 | 176.6 | 70.6 | -97.2 | 0 | 0 | 0 | 114.4 | S166 L172 Y189 L190 | S166-W168 PolarHBondContact O-N 3.31Å; W168-L172 VanDerWaalsContact O-CB 3.3Å; W168-L172 WeakPolarHBondContact O-CB 3.36Å; W168-L172 PolarHBondContact O-N 2.89Å; W168-Y189 VanDerWaalsContact CB-O 3.24Å; W168-Y189 WeakPolarHBondContact CB-O 3.43Å; W168-L190 HydrophobicContact CD2-CD2 3.95Å; W168-L190 HydrophobicContact CD2-CG 4.16Å; W168-L190 HydrophobicContact CE3-CD2 3.99Å; W168-L190 HydrophobicContact CE3-CG 4.2Å; W168-L190 HydrophobicContact CH2-CD2 3.48Å; W168-L190 VanDerWaalsContact CH2-CD2 3.48Å; W168-L190 HydrophobicContact CZ2-CD2 3.41Å; W168-L190 VanDerWaalsContact CZ2-CD2 3.41Å; W168-L190 HydrophobicContact CZ2-CG 4.47Å; W168-L190 HydrophobicContact CZ3-CD2 3.77Å; W168-L190 HydrophobicContact CZ3-CG 4.38Å |
| 169 | R | 40.1 | Very low | 39.5 | Very low | 106 Ų | 106 | 82.9 Ų | 82.9 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77 | -39.9 | 173.9 | -69 | -167.2 | 176 | -148.1 | 0.3 | 111.4 | I161 S166 E167 L172 A173 | I161-R169 HydrophobicContact CG2-CB 3.76Å; I161-R169 HydrophobicContact CG2-CG 4.37Å; S166-R169 WeakPolarHBondContact O-CB 3.2Å; S166-R169 PolarHBondContact O-N 2.85Å; S166-R169 WeakPolarHBondContact OG-CD 3.43Å; E167-R169 VanDerWaalsContact C-N 3.27Å; E167-R169 PolarHBondContact O-N 2.63Å; R169-L172 PolarHBondContact O-N 3.1Å; R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 3.29Å |
| 170 | S | 39.9 | Very low | 40 | Very low | 60 Ų | 60 | 86.1 Ų | 86.1 | 42% | 0.42 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 171.5 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | E167 L172 A173 E174 | E167-S170 WeakPolarHBondContact O-CB 3.21Å; E167-S170 PolarHBondContact O-N 2.83Å; S170-L172 VanDerWaalsContact C-N 3.33Å; S170-L172 PolarHBondContact O-N 3.04Å; S170-A173 PolarHBondContact O-N 3.23Å; S170-E174 VanDerWaalsContact O-CB 3.25Å; S170-E174 WeakPolarHBondContact O-CB 2.95Å; S170-E174 PolarHBondContact O-N 3.05Å |
| 171 | H | 40.4 | Very low | 40.4 | Very low | 102 Ų | 102 | 81.1 Ų | 81.1 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 176.6 | -65.6 | -42.4 | 0 | 0 | 0 | 113.8 | E167 E174 A175 | E167-H171 PolarHBondContact O-CD2 2.99Å; E167-H171 PolarHBondContact O-N 2.62Å; H171-E174 IonicContact ND1-OE2 3.87Å; H171-A175 VanDerWaalsContact O-CB 3.24Å; H171-A175 WeakPolarHBondContact O-CB 3.16Å; H171-A175 PolarHBondContact O-N 2.88Å |
| 172 | L | 42.8 | Very low | 40.7 | Very low | 45 Ų | 45 | 82 Ų | 82 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -71.6 | -43.9 | 175.8 | -171.7 | 66 | 0 | 0 | 0 | 111.3 | W168 R169 S170 A175 M176 | W168-L172 VanDerWaalsContact O-CB 3.3Å; W168-L172 WeakPolarHBondContact O-CB 3.36Å; W168-L172 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 3.1Å; S170-L172 VanDerWaalsContact C-N 3.33Å; S170-L172 PolarHBondContact O-N 3.04Å; L172-A175 PolarHBondContact O-N 2.77Å; L172-M176 HydrophobicContact CD1-CE 3.91Å; L172-M176 HydrophobicContact CD2-CE 4.33Å; L172-M176 HydrophobicContact CG-CE 3.96Å; L172-M176 HydrophobicContact CG-SD 4.36Å; L172-M176 VanDerWaalsContact O-CG 3.32Å; L172-M176 WeakPolarHBondContact O-CG 3.37Å; L172-M176 PolarHBondContact O-N 3.46Å |
| 173 | A | 40.2 | Very low | 41.2 | Very low | 43 Ų | 43 | 82 Ų | 82 | 36% | 0.355 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | R169 S170 A175 M176 C177 | R169-A173 WeakPolarHBondContact O-CB 3.46Å; R169-A173 PolarHBondContact O-N 3.29Å; S170-A173 PolarHBondContact O-N 3.23Å; A173-A175 VanDerWaalsContact C-N 3.3Å; A173-A175 PolarHBondContact O-N 3.19Å; A173-M176 PolarHBondContact O-N 3.02Å; A173-M176 VanDerWaalsContact O-N 3.08Å; A173-C177 WeakPolarHBondContact O-CB 3.03Å; A173-C177 PolarHBondContact O-N 3Å; A173-C177 PolarHBondContact O-SG 3.49Å; A173-C177 VanDerWaalsContact O-SG 3.41Å |
| 174 | E | 43.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 77.7 Ų | 77.7 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.4 | -38.8 | 175.9 | -170.6 | -177.3 | -174.8 | 0 | 0 | 111.9 | S170 H171 N178 | S170-E174 VanDerWaalsContact O-CB 3.25Å; S170-E174 WeakPolarHBondContact O-CB 2.95Å; S170-E174 PolarHBondContact O-N 3.05Å; H171-E174 IonicContact ND1-OE2 3.87Å; E174-N178 WeakPolarHBondContact O-CB 3.16Å; E174-N178 PolarHBondContact O-N 3.21Å; E174-N178 VanDerWaalsContact O-N 3.16Å |
| 175 | A | 39.6 | Very low | 42.1 | Very low | 16 Ų | 16 | 75.9 Ų | 75.9 | 13% | 0.132 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -75.1 | -21.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H171 L172 A173 S181 P185 | H171-A175 VanDerWaalsContact O-CB 3.24Å; H171-A175 WeakPolarHBondContact O-CB 3.16Å; H171-A175 PolarHBondContact O-N 2.88Å; L172-A175 PolarHBondContact O-N 2.77Å; A173-A175 VanDerWaalsContact C-N 3.3Å; A173-A175 PolarHBondContact O-N 3.19Å; A175-S181 PolarHBondContact O-OG 2.95Å; A175-P185 HydrophobicContact CB-CG 3.87Å |
| 176 | M | 39.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 78 Ų | 78 | 68% | 0.68 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -87.4 | -33.6 | 174.4 | -74 | 178.8 | 176.4 | 0 | 0 | 112.6 | L172 A173 | L172-M176 HydrophobicContact CD1-CE 3.91Å; L172-M176 HydrophobicContact CD2-CE 4.33Å; L172-M176 HydrophobicContact CG-CE 3.96Å; L172-M176 HydrophobicContact CG-SD 4.36Å; L172-M176 VanDerWaalsContact O-CG 3.32Å; L172-M176 WeakPolarHBondContact O-CG 3.37Å; L172-M176 PolarHBondContact O-N 3.46Å; A173-M176 PolarHBondContact O-N 3.02Å; A173-M176 VanDerWaalsContact O-N 3.08Å |
| 177 | C | 35.2 | Very low | 44.5 | Very low | 107 Ų | 107 | 82.2 Ų | 82.2 | 72% | 0.723 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -91.2 | -9.5 | -176.8 | -65.5 | 0 | 0 | 0 | 0 | 114 | A173 P179 | A173-C177 WeakPolarHBondContact O-CB 3.03Å; A173-C177 PolarHBondContact O-N 3Å; A173-C177 PolarHBondContact O-SG 3.49Å; A173-C177 VanDerWaalsContact O-SG 3.41Å; C177-P179 VanDerWaalsContact O-CD 3.29Å; C177-P179 WeakPolarHBondContact O-CD 3.14Å |
| 178 | N | 43.5 | Very low | 45.4 | Very low | 49 Ų | 49 | 76.3 Ų | 76.3 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | trans | -96.4 | 107 | 179.8 | -173.8 | -16.3 | 0 | 0 | 0 | 111.8 | E174 E180 S181 | E174-N178 WeakPolarHBondContact O-CB 3.16Å; E174-N178 PolarHBondContact O-N 3.21Å; E174-N178 VanDerWaalsContact O-N 3.16Å; N178-E180 PolarHBondContact O-N 3.48Å; N178-E180 WeakPolarHBondContact OD1-CB 3.04Å; N178-E180 PolarHBondContact OD1-N 2.98Å; N178-S181 PolarHBondContact O-N 3.22Å; N178-S181 VanDerWaalsContact O-N 3.08Å; N178-S181 PolarHBondContact O-OG 3.43Å | ||
| 179 | P | 40.9 | Very low | 46.3 | Very low | 123 Ų | 123 | 76.9 Ų | 76.9 | 80% | 0.799 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -7.1 | 179.9 | 30.2 | -36.3 | 0 | 0 | 0 | 114.2 | C177 | C177-P179 VanDerWaalsContact O-CD 3.29Å; C177-P179 WeakPolarHBondContact O-CD 3.14Å |
| 180 | E | 45.6 | Very low | 47.3 | Very low | 125 Ų | 125 | 72.4 Ų | 72.4 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.9 | 169.9 | -60.5 | -162.3 | 148.7 | 0 | 0 | 113.3 | N178 N182 | N178-E180 PolarHBondContact O-N 3.48Å; N178-E180 WeakPolarHBondContact OD1-CB 3.04Å; N178-E180 PolarHBondContact OD1-N 2.98Å; E180-N182 PolarHBondContact O-N 3.42Å |
| 181 | S | 46.2 | Very low | 47.8 | Very low | 36 Ų | 36 | 72.4 Ų | 72.4 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | trans | -93.4 | 80.8 | 174.8 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | A175 N178 H183 | A175-S181 PolarHBondContact O-OG 2.95Å; N178-S181 PolarHBondContact O-N 3.22Å; N178-S181 VanDerWaalsContact O-N 3.08Å; N178-S181 PolarHBondContact O-OG 3.43Å; S181-H183 PolarHBondContact O-N 3.08Å | ||
| 182 | N | 44.2 | Very low | 48.3 | Very low | 71 Ų | 71 | 68.7 Ų | 68.7 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -56 | -12 | 177 | -61.7 | 11.7 | 0 | 0 | 0 | 115.3 | E180 N399 L400 L401 | E180-N182 PolarHBondContact O-N 3.42Å; N182-N399 PolarHBondContact O-OD1 2.89Å; N182-L400 PolarHBondContact O-N 3.41Å; N182-L401 HydrophobicContact CB-CD1 3.75Å; N182-L401 WeakPolarHBondContact OD1-CD1 3.43Å | ||
| 183 | H | 48.6 | Very low | 48.3 | Very low | 88 Ų | 88 | 69.5 Ų | 69.5 | 41% | 0.407 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -131.6 | 144.7 | -175.4 | -56.6 | -68.9 | 0 | 0 | 0 | 110.5 | S181 L398 | S181-H183 PolarHBondContact O-N 3.08Å; H183-L398 PolarHBondContact ND1-O 3.44Å |
| 184 | L | 48.2 | Very low | 48.4 | Very low | 35 Ų | 35 | 77.2 Ų | 77.2 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | trans | -54.2 | 153 | 159.6 | -80.4 | 164.3 | 0 | 0 | 0 | 110.2 | H186 S396 L400 | L184-H186 PolarHBondContact O-N 3.44Å; L184-S396 WeakPolarHBondContact CB-OG 3.45Å; L184-L400 HydrophobicContact CG-CD1 4.29Å | ||
| 185 | P | 55.1 | Low | 48.2 | Very low | 38 Ų | 38 | 75.9 Ų | 75.9 | 25% | 0.247 | 40% | 0.403 | C | S | . | . | trans | -52.4 | 127.5 | 173.1 | -25.4 | 35 | 0 | 0 | 0 | 110.3 | A175 Q187 | A175-P185 HydrophobicContact CB-CG 3.87Å; P185-Q187 PolarHBondContact O-N 3.13Å | ||
| 186 | H | 59.3 | Low | 47.7 | Very low | 115 Ų | 115 | 79.3 Ų | 79.3 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -56.3 | -29.1 | -174.1 | -172 | 48.6 | 0 | 0 | 0 | 112.3 | L184 Y308 T395 S396 | L184-H186 PolarHBondContact O-N 3.44Å; H186-Y308 PolarHBondContact CE1-OH 3.42Å; H186-T395 CarbonylContact O-C 3.6Å; H186-T395 WeakPolarHBondContact O-CA 3.07Å; H186-S396 PolarHBondContact ND1-O 3.45Å; H186-S396 PolarHBondContact O-N 2.97Å |
| 187 | Q | 60.5 | Low | 47.3 | Very low | 101 Ų | 101 | 77.1 Ų | 77.1 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.5 | 165.5 | -174.8 | -179.6 | -51 | 0 | 0 | 110 | P185 Q393 F394 T395 | P185-Q187 PolarHBondContact O-N 3.13Å; Q187-Q393 HydrophobicContact CG-CG 3.81Å; Q187-F394 CarbonylContact C-O 3.57Å; Q187-F394 VanDerWaalsContact CA-O 3.24Å; Q187-F394 WeakPolarHBondContact CA-O 3.29Å; Q187-T395 HydrophobicContact CB-CG2 4.02Å; Q187-T395 HydrophobicContact CG-CG2 3.87Å |
| 188 | F | 60.1 | Low | 47 | Very low | 30 Ų | 30 | 77.2 Ų | 77.2 | 13% | 0.132 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 163.7 | 163.4 | 68.3 | -92.2 | 0 | 0 | 0 | 111.2 | L190 F394 | F188-L190 HydrophobicContact CD2-CD1 4.48Å; F188-L190 HydrophobicContact CE2-CD1 3.99Å; F188-F394 HydrophobicContact CD1-CB 3.77Å; F188-F394 HydrophobicContact CD2-CB 3.97Å; F188-F394 HydrophobicContact CD2-CD2 4.26Å; F188-F394 HydrophobicContact CD2-CG 4.25Å; F188-F394 HydrophobicContact CE1-CB 3.45Å; F188-F394 VanDerWaalsContact CE1-CB 3.45Å; F188-F394 HydrophobicContact CE1-CD1 4.38Å; F188-F394 HydrophobicContact CE1-CG 4.06Å; F188-F394 HydrophobicContact CE2-CB 3.66Å; F188-F394 HydrophobicContact CE2-CD1 4.13Å; F188-F394 AromaticContact CE2-CD2 3.71Å; F188-F394 HydrophobicContact CE2-CD2 3.71Å; F188-F394 HydrophobicContact CE2-CE2 4.43Å; F188-F394 AromaticContact CE2-CG 3.56Å; F188-F394 HydrophobicContact CE2-CG 3.56Å; F188-F394 HydrophobicContact CG-CB 4.02Å; F188-F394 HydrophobicContact CZ-CB 3.39Å; F188-F394 AromaticContact CZ-CD1 3.68Å; F188-F394 HydrophobicContact CZ-CD1 3.68Å; F188-F394 HydrophobicContact CZ-CD2 4.1Å; F188-F394 AromaticContact CZ-CG 3.45Å; F188-F394 HydrophobicContact CZ-CG 3.45Å; F188-F394 VanDerWaalsContact CZ-CG 3.45Å; F188-F394 PolarHBondContact N-O 2.94Å; F188-F394 PolarHBondContact O-N 3.46Å |
| 189 | Y | 59.3 | Low | 46.3 | Very low | 69 Ų | 69 | 84.7 Ų | 84.7 | 27% | 0.271 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.1 | -169.8 | 179.3 | -113.9 | 0 | 0 | 0 | 112.6 | W168 P191 R314 Y390 G391 L392 Q393 | W168-Y189 VanDerWaalsContact CB-O 3.24Å; W168-Y189 WeakPolarHBondContact CB-O 3.43Å; Y189-P191 HydrophobicContact CE1-CB 3.89Å; Y189-R314 HydrophobicContact CE2-CG 4.05Å; Y189-Y390 PolarHBondContact OH-O 2.83Å; Y189-G391 WeakPolarHBondContact OH-CA 3.29Å; Y189-G391 PolarHBondContact OH-N 3.4Å; Y189-L392 WeakPolarHBondContact CD2-O 3.2Å; Y189-Q393 HydrophobicContact CD2-CB 4.41Å |
| 190 | L | 59.4 | Low | 45.7 | Very low | 12 Ų | 12 | 88.4 Ų | 88.4 | 6% | 0.063 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 102.6 | 175.5 | -90.5 | 136.6 | 0 | 0 | 0 | 109 | W168 F188 G391 L392 F394 Y415 | W168-L190 HydrophobicContact CD2-CD2 3.95Å; W168-L190 HydrophobicContact CD2-CG 4.16Å; W168-L190 HydrophobicContact CE3-CD2 3.99Å; W168-L190 HydrophobicContact CE3-CG 4.2Å; W168-L190 HydrophobicContact CH2-CD2 3.48Å; W168-L190 VanDerWaalsContact CH2-CD2 3.48Å; W168-L190 HydrophobicContact CZ2-CD2 3.41Å; W168-L190 VanDerWaalsContact CZ2-CD2 3.41Å; W168-L190 HydrophobicContact CZ2-CG 4.47Å; W168-L190 HydrophobicContact CZ3-CD2 3.77Å; W168-L190 HydrophobicContact CZ3-CG 4.38Å; F188-L190 HydrophobicContact CD2-CD1 4.48Å; F188-L190 HydrophobicContact CE2-CD1 3.99Å; L190-G391 CarbonylContact O-C 3.3Å; L190-G391 WeakPolarHBondContact O-CA 3.44Å; L190-L392 HydrophobicContact CB-CB 4.46Å; L190-L392 PolarHBondContact N-O 3.05Å; L190-L392 PolarHBondContact O-N 3.11Å; L190-F394 HydrophobicContact CD1-CD2 3.79Å; L190-F394 HydrophobicContact CD1-CE2 3.34Å; L190-F394 HydrophobicContact CD1-CZ 4.06Å; L190-Y415 HydrophobicContact CD1-CE2 3.9Å; L190-Y415 HydrophobicContact CD2-CE1 4.44Å; L190-Y415 HydrophobicContact CD2-CE2 4.21Å |
| 191 | P | 51.5 | Low | 45 | Very low | 59 Ų | 59 | 86.8 Ų | 86.8 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 151.6 | 179.2 | 28.7 | -34.7 | 0 | 0 | 0 | 111.8 | Y189 | Y189-P191 HydrophobicContact CE1-CB 3.89Å |
| 192 | A | 50.2 | Low | 44.5 | Very low | 25 Ų | 25 | 90.2 Ų | 90.2 | 21% | 0.207 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 140.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | K194 A231 F233 Y390 | A192-K194 PolarHBondContact O-N 3.38Å; A192-A231 HydrophobicContact CB-CB 4.16Å; A192-F233 HydrophobicContact CB-CE2 3.99Å; A192-F233 HydrophobicContact CB-CZ 4.09Å; A192-Y390 VanDerWaalsContact CB-O 3.28Å; A192-Y390 WeakPolarHBondContact CB-O 3.25Å; A192-Y390 PolarHBondContact N-O 3.33Å |
| 193 | P | 43.2 | Very low | 44 | Very low | 61 Ų | 61 | 90 Ų | 90 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 128.7 | 174.8 | 27.9 | -35.5 | 0 | 0 | 0 | 109.8 | I195 A231 L418 | P193-I195 PolarHBondContact O-N 2.87Å; P193-A231 HydrophobicContact CG-CB 4.01Å; P193-L418 HydrophobicContact CB-CD2 4.47Å; P193-L418 HydrophobicContact CG-CD2 3.81Å |
| 194 | K | 41.8 | Very low | 43.4 | Very low | 206 Ų | 206 | 92.5 Ų | 92.5 | 90% | 0.896 | 50% | 0.499 | S | S | * | . | trans | -67.2 | 98.8 | 168.5 | -70.6 | 178.5 | 179.8 | 174 | 0 | 108.2 | A192 A196 | A192-K194 PolarHBondContact O-N 3.38Å; K194-A196 PolarHBondContact O-N 2.9Å | ||
| 195 | I | 39.4 | Very low | 42.9 | Very low | 89 Ų | 89 | 96.2 Ų | 96.2 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | trans | -62.7 | 112.4 | 169.7 | -62.3 | 178.7 | 0 | 0 | 0 | 106.7 | P193 A197 S229 | P193-I195 PolarHBondContact O-N 2.87Å; I195-A197 PolarHBondContact O-N 3.03Å; I195-A197 VanDerWaalsContact O-N 3.11Å; I195-S229 WeakPolarHBondContact CD1-OG 3.05Å | ||
| 196 | A | 30.1 | Very low | 42.1 | Very low | 88 Ų | 88 | 101.6 Ų | 101.6 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | trans | -60.4 | 117.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K194 T198 | K194-A196 PolarHBondContact O-N 2.9Å; A196-T198 PolarHBondContact O-N 2.98Å | ||
| 197 | A | 30.7 | Very low | 40.9 | Very low | 92 Ų | 92 | 99.9 Ų | 99.9 | 76% | 0.76 | 55% | 0.551 | S | S | * | * | trans | -61.4 | 113.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | I195 K199 | I195-A197 PolarHBondContact O-N 3.03Å; I195-A197 VanDerWaalsContact O-N 3.11Å; A197-K199 PolarHBondContact O-N 3.07Å | ||
| 198 | T | 30 | Very low | 39.7 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -58.6 | 114.2 | 169.7 | 29.7 | 0 | 0 | 0 | 0 | 107.8 | A196 Y200 | A196-T198 PolarHBondContact O-N 2.98Å; T198-Y200 PolarHBondContact O-N 3.13Å | ||
| 199 | K | 27.8 | Very low | 38.5 | Very low | 206 Ų | 206 | 111.1 Ų | 111.1 | 90% | 0.896 | 61% | 0.606 | S | S | * | * | trans | -66.3 | 84.7 | 171.6 | -76.7 | -173.1 | 176.1 | -177.4 | 0 | 108.8 | A197 S201 | A197-K199 PolarHBondContact O-N 3.07Å; K199-S201 PolarHBondContact O-N 3.44Å; K199-S201 VanDerWaalsContact O-N 3.09Å | ||
| 200 | Y | 28.9 | Very low | 37.4 | Very low | 201 Ų | 201 | 111.8 Ų | 111.8 | 79% | 0.788 | 62% | 0.621 | S | S | * | * | trans | -63 | 104.1 | 153 | -75 | -85.5 | 0 | 0 | 0 | 106.6 | T198 V202 | T198-Y200 PolarHBondContact O-N 3.13Å; Y200-V202 PolarHBondContact O-N 3.49Å; Y200-V202 VanDerWaalsContact O-N 3.08Å | ||
| 201 | S | 29.8 | Very low | 36.4 | Very low | 91 Ų | 91 | 122 Ų | 122 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -66.1 | 104.4 | 165.1 | 50.3 | 0 | 0 | 0 | 0 | 107.3 | K199 N203 | K199-S201 PolarHBondContact O-N 3.44Å; K199-S201 VanDerWaalsContact O-N 3.09Å; S201-N203 WeakPolarHBondContact CB-OD1 3.44Å; S201-N203 PolarHBondContact O-N 2.86Å; S201-N203 VanDerWaalsContact O-N 3.13Å; S201-N203 PolarHBondContact O-OD1 3.24Å; S201-N203 PolarHBondContact OG-OD1 3.4Å | ||
| 202 | V | 36.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 123 Ų | 123 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | trans | -70.7 | 103.7 | 162.5 | -175.4 | 0 | 0 | 0 | 0 | 105.2 | Y200 D204 | Y200-V202 PolarHBondContact O-N 3.49Å; Y200-V202 VanDerWaalsContact O-N 3.08Å; V202-D204 VanDerWaalsContact C-N 3.26Å; V202-D204 WeakPolarHBondContact CG1-OD1 3.43Å; V202-D204 PolarHBondContact O-N 3.05Å | ||
| 203 | N | 34.2 | Very low | 34.8 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 36% | 0.364 | 71% | 0.714 | S | S | . | * | trans | -78.7 | 83.3 | 175.5 | -68.8 | -0.6 | 0 | 0 | 0 | 107.3 | S201 D205 T1203 | S201-N203 WeakPolarHBondContact CB-OD1 3.44Å; S201-N203 PolarHBondContact O-N 2.86Å; S201-N203 VanDerWaalsContact O-N 3.13Å; S201-N203 PolarHBondContact O-OD1 3.24Å; S201-N203 PolarHBondContact OG-OD1 3.4Å; N203-D205 PolarHBondContact O-N 2.04Å; N203-T1203 PolarHBondContact ND2-O 3.13Å | ||
| 204 | D | 34.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -73.2 | 55.2 | 177.6 | -76 | -43.4 | 0 | 0 | 0 | 111.8 | V202 | V202-D204 VanDerWaalsContact C-N 3.26Å; V202-D204 WeakPolarHBondContact CG1-OD1 3.43Å; V202-D204 PolarHBondContact O-N 3.05Å | ||
| 205 | D | 37.5 | Very low | 33.9 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | trans | -142 | 87.4 | 177.1 | -85.5 | -54.7 | 0 | 0 | 0 | 110.6 | N203 T1203 | N203-D205 PolarHBondContact O-N 2.04Å; D205-T1203 WeakPolarHBondContact O-CG2 3.24Å | ||
| 206 | D | 38.2 | Very low | 33.9 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | -169.8 | 148 | 129.7 | -107.3 | -38.3 | 0 | 0 | 0 | 111.4 | |||||
| 207 | A | 35.6 | Very low | 34 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -100.4 | 135.3 | -156.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 208 | F | 34.2 | Very low | 34.3 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | trans | -129.1 | 80.7 | 156.3 | -103.7 | -81.9 | 0 | 0 | 0 | 112 | ||||
| 209 | N | 34.3 | Very low | 34.4 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 127.1 | 155.5 | -79.3 | -49.1 | 0 | 0 | 0 | 109 | ||||
| 210 | S | 37.7 | Very low | 34.8 | Very low | 83 Ų | 83 | 141.1 Ų | 141.1 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | 164.8 | 139 | 122 | -165 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 211 | Y | 38 | Very low | 35.1 | Very low | 226 Ų | 226 | 140 Ų | 140 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | trans | 60.5 | 118.8 | -178.8 | -45.7 | -71.1 | 0 | 0 | 0 | 112.9 | ||||
| 212 | G | 33.1 | Very low | 35.5 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | cis | 118.5 | 136 | 41.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 213 | E | 35.6 | Very low | 35.4 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | cis | -144.7 | -166.3 | 16.5 | -158.3 | 171.7 | 161.8 | 0 | 0 | 109.8 | ||||
| 214 | S | 34 | Very low | 35.2 | Very low | 110 Ų | 110 | 153.5 Ų | 153.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -47.3 | 143.7 | -177.8 | 56 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 215 | G | 31.9 | Very low | 35.2 | Very low | 64 Ų | 64 | 152.7 Ų | 152.7 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | cis | 129.4 | 120.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 216 | H | 38.2 | Very low | 34.8 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -155.7 | 141.9 | 162.4 | -111.3 | -85.2 | 0 | 0 | 0 | 109.9 | ||||
| 217 | R | 33.1 | Very low | 34.4 | Very low | 235 Ų | 235 | 157.6 Ų | 157.6 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 125 | 178.3 | -77.3 | 172.9 | 162.4 | 167.3 | -7.2 | 111 | ||||
| 218 | E | 36.3 | Very low | 34 | Very low | 177 Ų | 177 | 156.7 Ų | 156.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -135.3 | 142.3 | 152.9 | -70.7 | -162.5 | 144.1 | 0 | 0 | 110.3 | ||||
| 219 | N | 31.6 | Very low | 34 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -90 | 114.7 | -169.1 | -55.3 | -52.7 | 0 | 0 | 0 | 110.8 | ||||
| 220 | N | 36.9 | Very low | 34.1 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -120.5 | 90.1 | 176 | -83.3 | -66.7 | 0 | 0 | 0 | 111.1 | ||||
| 221 | H | 36.3 | Very low | 34.3 | Very low | 178 Ų | 178 | 145 Ų | 145 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -87.2 | -7.2 | 174 | -88.9 | -66.9 | 0 | 0 | 0 | 113.9 | R223 | H221-R223 VanDerWaalsContact C-N 3.27Å; H221-R223 PolarHBondContact O-N 2.77Å; H221-R223 VanDerWaalsContact O-N 3.12Å | ||
| 222 | D | 37.6 | Very low | 34.6 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -80.3 | 9.5 | -166.2 | -60.5 | -34.4 | 0 | 0 | 0 | 115.9 | ||||
| 223 | R | 33.5 | Very low | 35.1 | Very low | 241 Ų | 241 | 133.7 Ų | 133.7 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -94 | 7.8 | -163.4 | -144.8 | 175.6 | 179.9 | -174.5 | -1.7 | 116.5 | H221 | H221-R223 VanDerWaalsContact C-N 3.27Å; H221-R223 PolarHBondContact O-N 2.77Å; H221-R223 VanDerWaalsContact O-N 3.12Å |
| 224 | L | 31.2 | Very low | 35.5 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.5 | 3.8 | -167.2 | -98.8 | 166 | 0 | 0 | 0 | 117.6 | ||
| 225 | V | 33.9 | Very low | 36 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -112.9 | -25.5 | -173.5 | -173.8 | 0 | 0 | 0 | 0 | 114.5 | K227 | V225-K227 PolarHBondContact O-N 3.28Å; V225-K227 VanDerWaalsContact O-N 3.09Å |
| 226 | N | 29.3 | Very low | 36.4 | Very low | 154 Ų | 154 | 118 Ų | 118 | 82% | 0.824 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 46.1 | -165.8 | -80.5 | -28.3 | 0 | 0 | 0 | 116.5 | ||
| 227 | K | 29.4 | Very low | 36.7 | Very low | 213 Ų | 213 | 109.1 Ų | 109.1 | 93% | 0.926 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 37.3 | 164 | -78.7 | -161.7 | 176.3 | -178.7 | 0 | 113.8 | V225 S229 | V225-K227 PolarHBondContact O-N 3.28Å; V225-K227 VanDerWaalsContact O-N 3.09Å; K227-S229 PolarHBondContact O-N 3.3Å |
| 228 | G | 28.9 | Very low | 37 | Very low | 60 Ų | 60 | 99 Ų | 99 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 127.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L230 | G228-L230 PolarHBondContact O-N 2.83Š|
| 229 | S | 33.3 | Very low | 37 | Very low | 85 Ų | 85 | 94.9 Ų | 94.9 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 130 | 171.2 | -172 | 0 | 0 | 0 | 0 | 109.4 | I195 K227 | I195-S229 WeakPolarHBondContact CD1-OG 3.05Å; K227-S229 PolarHBondContact O-N 3.3Å |
| 230 | L | 36.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 90.6 Ų | 90.6 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 129 | -172.5 | -71.4 | 149 | 0 | 0 | 0 | 110.1 | G228 | G228-L230 PolarHBondContact O-N 2.83Š|
| 231 | A | 42.9 | Very low | 36.9 | Very low | 16 Ų | 16 | 85.9 Ų | 85.9 | 13% | 0.132 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -74 | 144.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A192 P193 | A192-A231 HydrophobicContact CB-CB 4.16Å; P193-A231 HydrophobicContact CG-CB 4.01Å |
| 232 | T | 42.9 | Very low | 36.6 | Very low | 64 Ų | 64 | 79 Ų | 79 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | trans | -113.8 | 122.9 | 177.5 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | P385 | T232-P385 HydrophobicContact CG2-CB 3.32Š| ||
| 233 | F | 44.9 | Very low | 36.3 | Very low | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 142.7 | 174.1 | -73.6 | -95.8 | 0 | 0 | 0 | 111.2 | A192 P385 I386 V389 L392 Y415 | A192-F233 HydrophobicContact CB-CE2 3.99Å; A192-F233 HydrophobicContact CB-CZ 4.09Å; F233-P385 WeakPolarHBondContact O-CA 3.32Å; F233-I386 HydrophobicContact CB-CB 4.49Å; F233-I386 PolarHBondContact N-O 3.28Å; F233-I386 VanDerWaalsContact N-O 3.16Å; F233-I386 PolarHBondContact O-N 3.5Å; F233-V389 HydrophobicContact CD2-CB 3.79Å; F233-V389 HydrophobicContact CD2-CG1 3.69Å; F233-V389 HydrophobicContact CE2-CB 3.98Å; F233-V389 HydrophobicContact CE2-CG1 3.64Å; F233-L392 HydrophobicContact CB-CD1 4.19Å; F233-L392 HydrophobicContact CD1-CD1 3.78Å; F233-L392 HydrophobicContact CD1-CG 3.73Å; F233-L392 HydrophobicContact CE1-CD1 4.41Å; F233-L392 HydrophobicContact CE1-CG 3.97Å; F233-L392 HydrophobicContact CG-CD1 4.14Å; F233-L392 HydrophobicContact CG-CD2 4.45Å; F233-L392 HydrophobicContact CG-CG 4.05Å; F233-L392 HydrophobicContact CZ-CG 4.46Å; F233-Y415 AromaticContact CD1-CE1 3.82Å; F233-Y415 HydrophobicContact CD1-CE1 3.82Å; F233-Y415 AromaticContact CD1-CZ 3.97Å; F233-Y415 VanDerWaalsContact CD1-OH 3.32Å; F233-Y415 WeakPolarHBondContact CD1-OH 3.48Å; F233-Y415 AromaticContact CE1-CE1 4Å; F233-Y415 HydrophobicContact CE1-CE1 4Å; F233-Y415 WeakPolarHBondContact CE1-OH 3.45Å |
| 234 | I | 43.6 | Very low | 36 | Very low | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.7 | 166.4 | -44.3 | 172.5 | 0 | 0 | 0 | 107.7 | I382 Y383 A417 F436 | I234-I382 HydrophobicContact CG2-CG2 3.57Å; I234-Y383 VanDerWaalsContact CG2-O 3.31Å; I234-Y383 WeakPolarHBondContact CG2-O 3.48Å; I234-A417 HydrophobicContact CB-CB 4Å; I234-A417 HydrophobicContact CD1-CB 4.16Å; I234-A417 HydrophobicContact CG1-CB 4Å; I234-F436 HydrophobicContact CB-CE2 4.34Å; I234-F436 HydrophobicContact CB-CZ 4.29Å; I234-F436 HydrophobicContact CD1-CE2 4.25Å; I234-F436 HydrophobicContact CD1-CZ 4.18Å; I234-F436 HydrophobicContact CG2-CE2 3.73Å; I234-F436 HydrophobicContact CG2-CZ 4.16Å |
| 235 | L | 44.4 | Very low | 35.8 | Very low | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.1 | -179.6 | -71.8 | 168.7 | 0 | 0 | 0 | 111.2 | V311 I328 Y383 L392 F394 Y415 | L235-V311 HydrophobicContact CD1-CG1 4.16Å; L235-I328 HydrophobicContact CD1-CD1 4.21Å; L235-I328 HydrophobicContact CD1-CG2 4.45Å; L235-Y383 PolarHBondContact N-O 2.92Å; L235-Y383 PolarHBondContact O-N 2.91Å; L235-L392 HydrophobicContact CD1-CD1 3.82Å; L235-L392 HydrophobicContact CD2-CD1 3.85Å; L235-L392 HydrophobicContact CG-CD1 3.86Å; L235-F394 HydrophobicContact CD2-CZ 4.01Å; L235-Y415 HydrophobicContact CD2-CD2 4.4Å; L235-Y415 HydrophobicContact CD2-CE2 3.75Å |
| 236 | R | 40 | Very low | 35.5 | Very low | 16 Ų | 16 | 66 Ų | 66 | 6% | 0.06 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.8 | 164.6 | 158.6 | 160.3 | -80.9 | -167.6 | -2.8 | 109.4 | G380 E414 F436 V438 T445 | R236-G380 PolarHBondContact NH2-O 3.33Å; R236-E414 HydrophobicContact CG-CB 4.32Å; R236-F436 PolarHBondContact NH1-O 3.43Å; R236-F436 PolarHBondContact NH2-O 2.84Å; R236-V438 VanDerWaalsContact NH1-CG2 3.34Å; R236-T445 VanDerWaalsContact NH1-CG2 3.31Å |
| 237 | I | 45.2 | Very low | 35.6 | Very low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -123.7 | 130 | 175.4 | -56.1 | -179.8 | 0 | 0 | 0 | 107.8 | I240 I329 F331 I411 L413 | I237-I240 HydrophobicContact CG2-CD1 4.37Å; I237-I240 HydrophobicContact CG2-CG1 4.34Å; I237-I329 HydrophobicContact CD1-CD1 3.65Å; I237-F331 HydrophobicContact CD1-CE2 3.59Å; I237-F331 HydrophobicContact CD1-CZ 3.56Å; I237-F331 HydrophobicContact CG2-CZ 4.24Å; I237-I411 HydrophobicContact CG2-CG2 4.46Å; I237-L413 HydrophobicContact CG1-CD2 4.03Å | ||
| 238 | K | 38.7 | Very low | 35.4 | Very low | 22 Ų | 22 | 60.1 Ų | 60.1 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -136.5 | 136.5 | -171.2 | -171.3 | 174 | 172.1 | -178.9 | 0 | 108.7 | V412 E414 S443 T445 | K238-V412 HydrophobicContact CB-CB 4.3Å; K238-V412 PolarHBondContact N-O 2.94Å; K238-V412 PolarHBondContact O-N 3.36Å; K238-V412 VanDerWaalsContact O-N 3.14Å; K238-E414 WeakPolarHBondContact CD-OE1 3.16Å; K238-E414 WeakPolarHBondContact CD-OE2 3.31Å; K238-E414 IonicContact NZ-OE1 2.7Å; K238-E414 PolarHBondContact NZ-OE1 2.95Å; K238-E414 IonicContact NZ-OE2 3.13Å; K238-S443 PolarHBondContact NZ-O 3.31Å; K238-T445 PolarHBondContact NZ-OG1 3.3Å |
| 239 | D | 36.2 | Very low | 35.5 | Very low | 91 Ų | 91 | 63.2 Ų | 63.2 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | trans | 53.3 | 78.4 | 177.5 | -56.8 | -43.1 | 0 | 0 | 0 | 116.4 | G241 | D239-G241 VanDerWaalsContact C-N 3.35Å; D239-G241 PolarHBondContact O-N 1.8Å; D239-G241 VanDerWaalsContact O-N 3.13Å | ||
| 240 | I | 39 | Very low | 35.2 | Very low | 59 Ų | 59 | 67.1 Ų | 67.1 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | trans | -81 | 83.9 | 163.4 | -56.7 | 179.6 | 0 | 0 | 0 | 108.4 | I237 L242 L288 F331 | I237-I240 HydrophobicContact CG2-CD1 4.37Å; I237-I240 HydrophobicContact CG2-CG1 4.34Å; I240-L242 PolarHBondContact O-N 3.17Å; I240-L288 HydrophobicContact CG2-CB 3.71Å; I240-L288 HydrophobicContact CG2-CD1 3.72Å; I240-L288 HydrophobicContact CG2-CG 4.36Å; I240-F331 HydrophobicContact CD1-CD1 3.99Å; I240-F331 HydrophobicContact CD1-CE1 3.53Å; I240-F331 HydrophobicContact CD1-CZ 4Å | ||
| 241 | G | 28.2 | Very low | 34.7 | Very low | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | trans | -77.6 | 65.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D239 | D239-G241 VanDerWaalsContact C-N 3.35Å; D239-G241 PolarHBondContact O-N 1.8Å; D239-G241 VanDerWaalsContact O-N 3.13Å | ||
| 242 | L | 29.4 | Very low | 33.9 | Very low | 35 Ų | 35 | 72.2 Ų | 72.2 | 18% | 0.183 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -107.1 | 109.9 | 174 | -82.7 | 167.1 | 0 | 0 | 0 | 113.4 | I240 N286 L288 I405 | I240-L242 PolarHBondContact O-N 3.17Å; L242-N286 WeakPolarHBondContact CD1-O 3.48Å; L242-L288 HydrophobicContact CD1-CB 3.84Å; L242-L288 HydrophobicContact CD1-CD1 3.72Å; L242-L288 HydrophobicContact CD1-CG 3.66Å; L242-I405 HydrophobicContact CD2-CG1 3.71Å |
| 243 | T | 31 | Very low | 33.2 | Very low | 28 Ų | 28 | 72.6 Ų | 72.6 | 17% | 0.172 | 42% | 0.422 | C | S | . | . | trans | 37.8 | 89.7 | 164.3 | 55.7 | 0 | 0 | 0 | 0 | 119.6 | S245 N285 Y404 | T243-S245 PolarHBondContact O-N 2.98Å; T243-N285 PolarHBondContact O-ND2 3.41Å; T243-N285 VanDerWaalsContact O-ND2 3.12Å; T243-Y404 HydrophobicContact CG2-CD1 3.74Å; T243-Y404 HydrophobicContact CG2-CG 4.11Å; T243-Y404 WeakPolarHBondContact CG2-O 3.19Å | ||
| 244 | K | 27 | Very low | 32.2 | Very low | 159 Ų | 159 | 78.1 Ų | 78.1 | 69% | 0.691 | 46% | 0.462 | S | S | * | . | trans | -88.1 | 83 | 158.8 | -161 | 158.2 | -169.2 | 157.4 | 0 | 110.8 | T246 E375 | K244-T246 PolarHBondContact O-N 3.21Å; K244-E375 IonicContact NZ-OE1 2.62Å; K244-E375 IonicContact NZ-OE2 3.95Å; K244-E375 PolarHBondContact NZ-OE2 3.03Å | ||
| 245 | S | 28.1 | Very low | 31.4 | Very low | 72 Ų | 72 | 79.7 Ų | 79.7 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | trans | -66.8 | 120.9 | 178.7 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | T243 T247 | T243-S245 PolarHBondContact O-N 2.98Å; S245-T247 PolarHBondContact O-N 3.43Å; S245-T247 VanDerWaalsContact O-N 3.16Å | ||
| 246 | T | 27.4 | Very low | 30.5 | Very low | 138 Ų | 138 | 84 Ų | 84 | 85% | 0.847 | 50% | 0.495 | S | S | * | . | trans | -86.4 | 80 | -173.6 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | K244 | K244-T246 PolarHBondContact O-N 3.21Š| ||
| 247 | T | 30.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 86.3 Ų | 86.3 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | trans | -88.6 | 114.9 | 169.5 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | S245 T249 | S245-T247 PolarHBondContact O-N 3.43Å; S245-T247 VanDerWaalsContact O-N 3.16Å; T247-T249 PolarHBondContact O-N 2.84Å | ||
| 248 | N | 26.3 | Very low | 29 | Very low | 156 Ų | 156 | 89.8 Ų | 89.8 | 83% | 0.834 | 54% | 0.544 | S | S | * | . | trans | -61.1 | 116.9 | 175.9 | -90.6 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 249 | T | 30.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 93.4 Ų | 93.4 | 77% | 0.767 | 57% | 0.572 | S | S | * | * | trans | -120.7 | 57.5 | 170.8 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | T247 G251 | T247-T249 PolarHBondContact O-N 2.84Å; T249-G251 VanDerWaalsContact C-N 3.27Å; T249-G251 PolarHBondContact O-N 3.35Å | ||
| 250 | N | 26.3 | Very low | 28.2 | Very low | 166 Ų | 166 | 94.2 Ų | 94.2 | 89% | 0.888 | 59% | 0.585 | S | S | * | * | trans | -66.6 | 85.6 | 164.2 | -85.8 | -20.1 | 0 | 0 | 0 | 109.9 | ||||
| 251 | G | 26.2 | Very low | 27.7 | Very low | 59 Ų | 59 | 96 Ų | 96 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | trans | 174.4 | 158.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T249 | T249-G251 VanDerWaalsContact C-N 3.27Å; T249-G251 PolarHBondContact O-N 3.35Å | ||
| 252 | I | 27.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 99.4 Ų | 99.4 | 85% | 0.851 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 68.5 | 69.9 | 168.2 | -42.1 | -177.4 | 0 | 0 | 0 | 115.4 | ||
| 253 | S | 26.9 | Very low | 27.4 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | 83.4 | 87.7 | 127.8 | -52.4 | 0 | 0 | 0 | 0 | 120 | A255 R1341 | S253-A255 PolarHBondContact O-N 2.98Å; S253-R1341 PolarHBondContact O-NH2 2.9Å | |||
| 254 | S | 24.7 | Very low | 27 | Very low | 124 Ų | 124 | 107.2 Ų | 107.2 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | -43.4 | 130.2 | 116.7 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 255 | A | 25.9 | Very low | 26.9 | Very low | 47 Ų | 47 | 104.3 Ų | 104.3 | 39% | 0.388 | 67% | 0.674 | S | S | . | * | trans | 178.3 | 140.8 | 153 | 0 | 0 | 0 | 0 | 0 | 110.3 | S253 R1341 | S253-A255 PolarHBondContact O-N 2.98Å; A255-R1341 WeakPolarHBondContact O-CG 3.45Å; A255-R1341 PolarHBondContact O-NE 3.41Å | ||
| 256 | F | 26.9 | Very low | 26.7 | Very low | 93 Ų | 93 | 105.9 Ų | 105.9 | 41% | 0.408 | 69% | 0.685 | S | S | . | * | trans | 47 | 147.5 | 168.3 | -15.6 | -98.6 | 0 | 0 | 0 | 121.4 | R1341 R1342 Q1343 | F256-R1341 HydrophobicContact CB-CB 3.93Å; F256-R1341 HydrophobicContact CB-CG 3.8Å; F256-R1341 HydrophobicContact CD2-CB 4.06Å; F256-R1341 HydrophobicContact CD2-CG 3.77Å; F256-R1341 HydrophobicContact CG-CB 4.44Å; F256-R1341 HydrophobicContact CG-CG 4.28Å; F256-R1341 WeakPolarHBondContact O-CG 3.31Å; F256-R1342 VanDerWaalsContact CB-N 3.25Å; F256-Q1343 HydrophobicContact CE1-CG 4.16Å | ||
| 257 | A | 25 | Very low | 26.7 | Very low | 65 Ų | 65 | 106.4 Ų | 106.4 | 54% | 0.537 | 68% | 0.682 | S | S | . | * | trans | -125.7 | -177.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R1342 | A257-R1342 CarbonylContact O-C 3.58Å; A257-R1342 PolarHBondContact O-N 2.88Å | ||
| 258 | S | 27.8 | Very low | 26.4 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | trans | 66.5 | 174.4 | -171.3 | -53 | 0 | 0 | 0 | 0 | 113.6 | R1341 R1342 | S258-R1341 CarbonylContact O-C 3.41Å; S258-R1341 WeakPolarHBondContact O-CA 3.44Å; S258-R1341 PolarHBondContact O-N 3.48Å; S258-R1342 PolarHBondContact O-N 2.87Å | ||
| 259 | S | 29.8 | Very low | 26.4 | Very low | 99 Ų | 99 | 104.7 Ų | 104.7 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | cis | -143.3 | 177.6 | 1.2 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 260 | S | 28.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 108.1 Ų | 108.1 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -84.7 | 179.6 | 163.9 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 261 | S | 28.1 | Very low | 26.4 | Very low | 95 Ų | 95 | 103.2 Ų | 103.2 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | cis | -156.5 | 172.2 | 9.2 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 262 | S | 25.9 | Very low | 26.3 | Very low | 104 Ų | 104 | 105 Ų | 105 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | 58.9 | 143 | 149.6 | 50.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 263 | S | 25 | Very low | 26.6 | Very low | 96 Ų | 96 | 104.2 Ų | 104.2 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | cis | -171 | 150.6 | -10.6 | 45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 264 | T | 24.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 107.4 Ų | 107.4 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | trans | 64.5 | 159.4 | 155.6 | 47.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 265 | S | 24 | Very low | 26.8 | Very low | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | 60.5 | 91.3 | 159.5 | 53 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 266 | S | 24.3 | Very low | 26.8 | Very low | 104 Ų | 104 | 109.8 Ų | 109.8 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | 77.6 | 164.4 | 123.2 | 75.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 267 | L | 26.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | 70.2 | 91.6 | 161.8 | -65.3 | 160.3 | 0 | 0 | 0 | 118.2 | ||||
| 268 | S | 24.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 11.3 | 144.9 | 127.3 | 57.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 269 | S | 26.4 | Very low | 27.2 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 96.6 | 164.6 | 166.2 | -154.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 270 | F | 29.5 | Very low | 27.1 | Very low | 198 Ų | 198 | 123.6 Ų | 123.6 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | 63.2 | 106.7 | -168 | -52 | -76.4 | 0 | 0 | 0 | 114.3 | ||||
| 271 | G | 26.8 | Very low | 27.3 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | 101.9 | 122.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 272 | S | 25.6 | Very low | 27.4 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 52.6 | 92.8 | 160 | 60.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 273 | V | 34 | Very low | 27.7 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | trans | -147.4 | 84.2 | 138.1 | -179.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 274 | L | 27 | Very low | 28.3 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | 40.5 | 138 | 65.4 | -86.5 | 99.1 | 0 | 0 | 0 | 113.3 | |||||
| 275 | S | 28.5 | Very low | 29 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | cis | -172.3 | 175.7 | -13.5 | -172.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 276 | N | 25.7 | Very low | 30 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | 62.9 | 105.3 | 165.1 | -50.7 | -1 | 0 | 0 | 0 | 115.5 | ||||
| 277 | N | 28.9 | Very low | 30.8 | Very low | 157 Ų | 157 | 114.8 Ų | 114.8 | 84% | 0.84 | 65% | 0.652 | S | S | * | * | -161.4 | 143.8 | 99.4 | -94 | -26.9 | 0 | 0 | 0 | 111.3 | |||||
| 278 | N | 28.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 108.7 Ų | 108.7 | 84% | 0.84 | 62% | 0.62 | S | S | * | * | trans | -70 | 131.5 | -178.1 | -56.8 | -38.9 | 0 | 0 | 0 | 110.2 | ||||
| 279 | N | 30.4 | Very low | 32.7 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 80% | 0.797 | 61% | 0.605 | S | S | * | * | trans | -151.8 | 116.7 | 158.5 | -97.9 | -38.1 | 0 | 0 | 0 | 110 | I281 | N279-I281 PolarHBondContact O-N 3.16Å; N279-I281 VanDerWaalsContact O-N 3.12Å | ||
| 280 | N | 27.9 | Very low | 33.7 | Very low | 171 Ų | 171 | 105.1 Ų | 105.1 | 91% | 0.914 | 58% | 0.583 | S | S | * | * | trans | -73.8 | 98.4 | 178.3 | -87.1 | -27.7 | 0 | 0 | 0 | 110.5 | ||||
| 281 | I | 31.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 96.5 Ų | 96.5 | 64% | 0.641 | 55% | 0.549 | S | S | * | . | trans | -98.7 | 91.6 | 168.8 | -62.8 | -176.2 | 0 | 0 | 0 | 108.1 | N279 I283 | N279-I281 PolarHBondContact O-N 3.16Å; N279-I281 VanDerWaalsContact O-N 3.12Å; I281-I283 HydrophobicContact CG2-CD1 3.53Å; I281-I283 HydrophobicContact CG2-CG1 3.71Å; I281-I283 PolarHBondContact O-N 3.2Å | ||
| 282 | N | 29.7 | Very low | 35.6 | Very low | 121 Ų | 121 | 98 Ų | 98 | 65% | 0.647 | 55% | 0.545 | S | S | * | . | trans | -92.6 | 69 | -169.9 | -158.9 | 36.8 | 0 | 0 | 0 | 111.9 | N284 | N282-N284 PolarHBondContact O-N 2.9Š| ||
| 283 | I | 34.2 | Very low | 36.2 | Very low | 81 Ų | 81 | 96.4 Ų | 96.4 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | trans | -81.9 | 92.5 | -177.5 | -64.1 | 171 | 0 | 0 | 0 | 110 | I281 N285 | I281-I283 HydrophobicContact CG2-CD1 3.53Å; I281-I283 HydrophobicContact CG2-CG1 3.71Å; I281-I283 PolarHBondContact O-N 3.2Å; I283-N285 HydrophobicContact CG2-CB 4.03Å; I283-N285 VanDerWaalsContact CG2-CG 3.5Å; I283-N285 VanDerWaalsContact CG2-OD1 3.23Å; I283-N285 WeakPolarHBondContact CG2-OD1 3.41Å; I283-N285 PolarHBondContact O-N 3.45Å; I283-N285 VanDerWaalsContact O-N 3.13Å | ||
| 284 | N | 36.5 | Very low | 36.4 | Very low | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | trans | -82.7 | 58.4 | 173.3 | -76 | -5.3 | 0 | 0 | 0 | 111.5 | N282 | N282-N284 PolarHBondContact O-N 2.9Š| ||
| 285 | N | 38.9 | Very low | 37.2 | Very low | 32 Ų | 32 | 90.5 Ų | 90.5 | 17% | 0.171 | 52% | 0.524 | C | S | . | . | trans | -88.1 | 112.7 | 175.1 | -72.5 | 27 | 0 | 0 | 0 | 109.9 | T243 I283 N287 N336 | T243-N285 PolarHBondContact O-ND2 3.41Å; T243-N285 VanDerWaalsContact O-ND2 3.12Å; I283-N285 HydrophobicContact CG2-CB 4.03Å; I283-N285 VanDerWaalsContact CG2-CG 3.5Å; I283-N285 VanDerWaalsContact CG2-OD1 3.23Å; I283-N285 WeakPolarHBondContact CG2-OD1 3.41Å; I283-N285 PolarHBondContact O-N 3.45Å; I283-N285 VanDerWaalsContact O-N 3.13Å; N285-N287 PolarHBondContact O-N 2.87Å; N285-N336 PolarHBondContact O-ND2 2.78Å | ||
| 286 | N | 44.4 | Very low | 37.9 | Very low | 29 Ų | 29 | 86.9 Ų | 86.9 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | trans | -79.4 | 103.2 | 166.4 | -72.7 | -17 | 0 | 0 | 0 | 107.9 | L242 D402 | L242-N286 WeakPolarHBondContact CD1-O 3.48Å; N286-D402 PolarHBondContact ND2-OD2 2.99Å; N286-D402 VanDerWaalsContact ND2-OD2 3.08Å | ||
| 287 | N | 42.6 | Very low | 38.5 | Very low | 67 Ų | 67 | 83.4 Ų | 83.4 | 36% | 0.358 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132 | 179.1 | -73.8 | 19.1 | 0 | 0 | 0 | 110.7 | N285 I289 I334 | N285-N287 PolarHBondContact O-N 2.87Å; N287-I289 HydrophobicContact CB-CG1 4.42Å; N287-I289 PolarHBondContact O-N 3.44Å; N287-I334 PolarHBondContact O-N 3.47Å |
| 288 | L | 46 | Very low | 39 | Very low | 23 Ų | 23 | 80.7 Ų | 80.7 | 12% | 0.12 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 124.3 | 162.9 | -91.5 | 163.7 | 0 | 0 | 0 | 108.9 | I240 L242 F331 L398 | I240-L288 HydrophobicContact CG2-CB 3.71Å; I240-L288 HydrophobicContact CG2-CD1 3.72Å; I240-L288 HydrophobicContact CG2-CG 4.36Å; L242-L288 HydrophobicContact CD1-CB 3.84Å; L242-L288 HydrophobicContact CD1-CD1 3.72Å; L242-L288 HydrophobicContact CD1-CG 3.66Å; L288-F331 HydrophobicContact CD2-CB 3.93Å; L288-L398 HydrophobicContact CD1-CD2 4.13Å; L288-L398 HydrophobicContact CD2-CD2 4.38Å |
| 289 | I | 43.4 | Very low | 39.5 | Very low | 80 Ų | 80 | 77.8 Ų | 77.8 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.3 | -178.7 | -66.7 | 175.5 | 0 | 0 | 0 | 108.9 | N287 A291 F331 C332 I334 | N287-I289 HydrophobicContact CB-CG1 4.42Å; N287-I289 PolarHBondContact O-N 3.44Å; I289-A291 PolarHBondContact O-N 3.15Å; I289-A291 VanDerWaalsContact O-N 3.16Å; I289-F331 WeakPolarHBondContact O-CA 3.43Å; I289-C332 PolarHBondContact N-O 2.89Å; I289-C332 PolarHBondContact O-N 3.31Å; I289-I334 HydrophobicContact CB-CD1 4.22Å; I289-I334 HydrophobicContact CB-CG1 4.47Å; I289-I334 HydrophobicContact CD1-CB 4.25Å; I289-I334 HydrophobicContact CD1-CD1 4.11Å; I289-I334 HydrophobicContact CD1-CG1 4.38Å; I289-I334 HydrophobicContact CG2-CD1 4.44Å |
| 290 | L | 48.3 | Very low | 39.6 | Very low | 53 Ų | 53 | 75.8 Ų | 75.8 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 112.9 | 172.2 | 179.9 | 65.6 | 0 | 0 | 0 | 108.7 | T292 I329 F331 L378 | L290-T292 PolarHBondContact O-N 2.99Å; L290-T292 VanDerWaalsContact O-N 3.09Å; L290-I329 HydrophobicContact CD1-CD1 3.98Å; L290-I329 HydrophobicContact CD1-CG1 3.67Å; L290-F331 HydrophobicContact CD1-CD1 4.39Å; L290-F331 HydrophobicContact CD1-CE1 4.16Å; L290-L378 HydrophobicContact CB-CD2 4.43Å |
| 291 | A | 50.1 | Low | 39.9 | Very low | 17 Ų | 17 | 71.8 Ų | 71.8 | 14% | 0.14 | 46% | 0.455 | C | S | . | . | trans | -81.6 | 94.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I289 A295 C296 R330 C332 | I289-A291 PolarHBondContact O-N 3.15Å; I289-A291 VanDerWaalsContact O-N 3.16Å; A291-A295 HydrophobicContact CB-CB 4.31Å; A291-C296 HydrophobicContact CB-CB 4.23Å; A291-R330 HydrophobicContact CB-CB 4.25Å; A291-R330 WeakPolarHBondContact CB-O 3.4Å; A291-R330 PolarHBondContact N-O 2.93Å; A291-C332 HydrophobicContact CB-CB 4.21Å | ||
| 292 | T | 45.5 | Very low | 40.2 | Very low | 94 Ų | 94 | 69.9 Ų | 69.9 | 58% | 0.577 | 45% | 0.446 | S | S | * | . | trans | -57.2 | 149.1 | 156.8 | 56.2 | 0 | 0 | 0 | 0 | 109 | L290 S294 A295 | L290-T292 PolarHBondContact O-N 2.99Å; L290-T292 VanDerWaalsContact O-N 3.09Å; T292-S294 PolarHBondContact O-N 2.72Å; T292-A295 PolarHBondContact O-N 3.01Å | ||
| 293 | G | 39.2 | Very low | 40.5 | Very low | 63 Ų | 63 | 67.3 Ų | 67.3 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 294 | S | 38.2 | Very low | 40.9 | Very low | 112 Ų | 112 | 64 Ų | 64 | 78% | 0.783 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -23.2 | 170.4 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | T292 | T292-S294 PolarHBondContact O-N 2.72Š|
| 295 | A | 43.3 | Very low | 41.6 | Very low | 52 Ų | 52 | 64.7 Ų | 64.7 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -25.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A291 T292 | A291-A295 HydrophobicContact CB-CB 4.31Å; T292-A295 PolarHBondContact O-N 3.01Å |
| 296 | C | 42.3 | Very low | 42.4 | Very low | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.081 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -137.1 | 138.3 | 179.6 | -84 | 0 | 0 | 0 | 0 | 109.4 | A291 S298 C304 C332 | A291-C296 HydrophobicContact CB-CB 4.23Å; C296-S298 PolarHBondContact O-N 3.33Å; C296-C304 VanDerWaalsContact CB-SG 3.57Å; C296-C332 WeakPolarHBondContact CB-SG 3.42Å; C296-C332 WeakPolarHBondContact SG-CB 3.28Å; C296-C332 CovalentContact SG-SG 2.04Å; C296-C332 PolarHBondContact SG-SG 2.97Å |
| 297 | P | 39.1 | Very low | 43.1 | Very low | 60 Ų | 60 | 67.7 Ų | 67.7 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | trans | -57.4 | 128.7 | -164.9 | 20.5 | -33 | 0 | 0 | 0 | 112.4 | N299 I302 | P297-N299 PolarHBondContact O-N 3.02Å; P297-N299 VanDerWaalsContact O-N 3.07Å; P297-I302 HydrophobicContact CB-CG2 4.15Å; P297-I302 HydrophobicContact CG-CB 4.4Å; P297-I302 HydrophobicContact CG-CG2 3.74Å | ||
| 298 | S | 38.8 | Very low | 44 | Very low | 100 Ų | 100 | 65.8 Ų | 65.8 | 70% | 0.699 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -73.7 | 0.9 | -164.3 | 47.8 | 0 | 0 | 0 | 0 | 115.9 | C296 | C296-S298 PolarHBondContact O-N 3.33Š|
| 299 | N | 38.3 | Very low | 44.9 | Very low | 97 Ų | 97 | 65.2 Ų | 65.2 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -81.6 | 128.7 | 173.1 | -83.9 | -21.9 | 0 | 0 | 0 | 111.1 | P297 G301 I302 | P297-N299 PolarHBondContact O-N 3.02Å; P297-N299 VanDerWaalsContact O-N 3.07Å; N299-G301 PolarHBondContact O-N 3.3Å; N299-I302 HydrophobicContact CB-CB 4.35Å; N299-I302 HydrophobicContact CB-CD1 3.77Å; N299-I302 HydrophobicContact CB-CG1 3.79Å; N299-I302 PolarHBondContact O-N 3.26Å |
| 300 | P | 33.8 | Very low | 46 | Very low | 107 Ų | 107 | 61.7 Ų | 61.7 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.9 | 161.5 | 28.2 | -32.1 | 0 | 0 | 0 | 109.1 | ||
| 301 | G | 34.5 | Very low | 47 | Very low | 86 Ų | 86 | 59.3 Ų | 59.3 | 89% | 0.887 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.3 | -5.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N299 | N299-G301 PolarHBondContact O-N 3.3Š|
| 302 | I | 36.3 | Very low | 47.9 | Very low | 86 Ų | 86 | 59.3 Ų | 59.3 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | trans | -90.7 | 112.6 | 166.3 | -62.7 | -172.4 | 0 | 0 | 0 | 109 | P297 N299 | P297-I302 HydrophobicContact CB-CG2 4.15Å; P297-I302 HydrophobicContact CG-CB 4.4Å; P297-I302 HydrophobicContact CG-CG2 3.74Å; N299-I302 HydrophobicContact CB-CB 4.35Å; N299-I302 HydrophobicContact CB-CD1 3.77Å; N299-I302 HydrophobicContact CB-CG1 3.79Å; N299-I302 PolarHBondContact O-N 3.26Å | ||
| 303 | A | 36.6 | Very low | 48.8 | Very low | 67 Ų | 67 | 55 Ų | 55 | 55% | 0.554 | 38% | 0.377 | S | S | * | . | trans | -61.7 | 136.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y308 | A303-Y308 HydrophobicContact CB-CE1 4.46Š| ||
| 304 | C | 42.4 | Very low | 50.1 | Low | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.074 | 36% | 0.356 | C | S | . | . | trans | -72.3 | 141.5 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | C296 H306 Y308 | C296-C304 VanDerWaalsContact CB-SG 3.57Å; C304-H306 PolarHBondContact O-N 3.14Å; C304-Y308 HydrophobicContact CB-CD1 3.81Å; C304-Y308 HydrophobicContact CB-CE1 4.46Å; C304-Y308 HydrophobicContact CB-CG 4.25Å | ||
| 305 | S | 50.7 | Low | 51.2 | Low | 111 Ų | 111 | 50.8 Ų | 50.8 | 78% | 0.776 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -73.7 | 12 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 114 | ||
| 306 | H | 57.4 | Low | 51.5 | Low | 73 Ų | 73 | 50.3 Ų | 50.3 | 34% | 0.338 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -141.1 | 151.6 | -177.7 | -53.8 | 98.7 | 0 | 0 | 0 | 107.6 | C304 Y308 S333 | C304-H306 PolarHBondContact O-N 3.14Å; H306-Y308 PolarHBondContact O-N 3.46Å; H306-S333 VanDerWaalsContact CB-O 3.31Å; H306-S333 WeakPolarHBondContact CB-O 3.32Å |
| 307 | D | 59.3 | Low | 51.9 | Low | 51 Ų | 51 | 53.5 Ų | 53.5 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -50 | 129 | 177.5 | -66.9 | 39.4 | 0 | 0 | 0 | 111.7 | S333 N397 L398 N399 | D307-S333 WeakPolarHBondContact O-CB 3.46Å; D307-S333 PolarHBondContact O-N 3.16Å; D307-N397 WeakPolarHBondContact CA-O 3.4Å; D307-L398 HydrophobicContact CB-CD2 4.02Å; D307-N399 PolarHBondContact OD2-N 3.38Å | ||
| 308 | Y | 61.7 | Low | 52.2 | Low | 26 Ų | 26 | 56.3 Ų | 56.3 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 159.8 | -174.9 | 74.4 | -91.3 | 0 | 0 | 0 | 112.4 | H186 A303 C304 H306 F331 S396 N397 | H186-Y308 PolarHBondContact CE1-OH 3.42Å; A303-Y308 HydrophobicContact CB-CE1 4.46Å; C304-Y308 HydrophobicContact CB-CD1 3.81Å; C304-Y308 HydrophobicContact CB-CE1 4.46Å; C304-Y308 HydrophobicContact CB-CG 4.25Å; H306-Y308 PolarHBondContact O-N 3.46Å; Y308-F331 VanDerWaalsContact CA-O 3.23Å; Y308-F331 WeakPolarHBondContact CA-O 3.41Å; Y308-F331 VanDerWaalsContact CB-O 3.29Å; Y308-F331 WeakPolarHBondContact CB-O 3.48Å; Y308-S396 CarbonylContact O-C 3.5Å; Y308-S396 VanDerWaalsContact O-CA 3.25Å; Y308-S396 WeakPolarHBondContact O-CA 3.4Å; Y308-S396 WeakPolarHBondContact O-CB 3.33Å; Y308-N397 HydrophobicContact CD1-CB 3.71Å; Y308-N397 HydrophobicContact CE1-CB 3.55Å; Y308-N397 PolarHBondContact O-N 3.39Å |
| 309 | L | 64.1 | Low | 52.1 | Low | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.8 | 171.5 | 172.6 | 65.1 | 0 | 0 | 0 | 108.2 | R330 F331 L398 I411 | L309-R330 CarbonylContact O-C 3.36Å; L309-R330 WeakPolarHBondContact O-CA 3.33Å; L309-F331 HydrophobicContact CB-CB 4.48Å; L309-F331 HydrophobicContact CB-CD2 4.21Å; L309-F331 HydrophobicContact CD2-CD2 4.08Å; L309-F331 HydrophobicContact CD2-CE2 4.37Å; L309-F331 HydrophobicContact CG-CD2 4.24Å; L309-F331 PolarHBondContact N-O 3.2Å; L309-F331 PolarHBondContact O-N 3.4Å; L309-L398 HydrophobicContact CB-CD1 3.92Å; L309-I411 HydrophobicContact CD2-CD1 4.33Å |
| 310 | S | 65.5 | Low | 52.1 | Low | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.8 | 176.4 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | I329 F394 T395 | S310-I329 VanDerWaalsContact CA-O 3.29Å; S310-I329 WeakPolarHBondContact CA-O 3.11Å; S310-F394 WeakPolarHBondContact O-CA 3.19Å; S310-T395 PolarHBondContact N-O 3.45Å; S310-T395 PolarHBondContact O-N 2.83Å; S310-T395 PolarHBondContact OG-OG1 3.39Å |
| 311 | V | 69.9 | Low | 52.2 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 127 | 176.3 | -160.9 | 0 | 0 | 0 | 0 | 109.2 | L235 I328 I329 L392 Q393 F394 | L235-V311 HydrophobicContact CD1-CG1 4.16Å; V311-I328 HydrophobicContact CB-CD1 4.46Å; V311-I328 HydrophobicContact CG1-CD1 4.12Å; V311-I328 WeakPolarHBondContact O-CB 3.41Å; V311-I328 PolarHBondContact O-N 3.48Å; V311-I329 HydrophobicContact CB-CG2 3.81Å; V311-I329 HydrophobicContact CG2-CG2 3.64Å; V311-I329 PolarHBondContact N-O 3.18Å; V311-I329 PolarHBondContact O-N 3.03Å; V311-L392 HydrophobicContact CG1-CB 4.28Å; V311-L392 HydrophobicContact CG1-CD1 4.43Å; V311-Q393 CarbonylContact C-O 3.46Å; V311-Q393 WeakPolarHBondContact CA-O 3.06Å; V311-F394 HydrophobicContact CB-CD1 4.4Å; V311-F394 HydrophobicContact CB-CE1 4.33Å; V311-F394 HydrophobicContact CG1-CD1 4.07Å; V311-F394 HydrophobicContact CG1-CD2 3.87Å; V311-F394 HydrophobicContact CG1-CE1 3.85Å; V311-F394 HydrophobicContact CG1-CE2 3.62Å; V311-F394 HydrophobicContact CG1-CG 4.07Å; V311-F394 HydrophobicContact CG1-CZ 3.62Å; V311-F394 HydrophobicContact CG2-CD1 3.56Å; V311-F394 HydrophobicContact CG2-CE1 3.45Å; V311-F394 VanDerWaalsContact CG2-CE1 3.45Å; V311-F394 HydrophobicContact CG2-CG 4.26Å; V311-F394 HydrophobicContact CG2-CZ 4.07Å |
| 312 | D | 68.7 | Low | 52.4 | Low | 18 Ų | 18 | 61.5 Ų | 61.5 | 10% | 0.096 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.2 | 178 | -51.7 | -41.1 | 0 | 0 | 0 | 110.2 | N325 I326 P327 Q393 | D312-N325 HydrophobicContact CB-CB 4.13Å; D312-I326 CarbonylContact C-O 3.54Å; D312-I326 WeakPolarHBondContact CA-O 3.04Å; D312-P327 WeakPolarHBondContact OD1-CA 3.32Å; D312-P327 WeakPolarHBondContact OD1-CB 3.34Å; D312-Q393 HydrophobicContact CB-CB 4.46Å; D312-Q393 PolarHBondContact N-O 2.96Å; D312-Q393 PolarHBondContact O-N 3.38Å |
| 313 | A | 65.6 | Low | 53.2 | Low | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 129.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N325 I326 I328 I386 V389 L392 | A313-N325 CarbonylContact O-C 3.57Å; A313-N325 WeakPolarHBondContact O-CA 3.34Å; A313-I326 PolarHBondContact N-O 3.12Å; A313-I326 PolarHBondContact O-N 3.3Å; A313-I328 HydrophobicContact CB-CD1 3.98Å; A313-I328 HydrophobicContact CB-CG1 4.12Å; A313-I386 HydrophobicContact CB-CG2 4.31Å; A313-V389 HydrophobicContact CB-CG1 4.24Å; A313-V389 HydrophobicContact CB-CG2 3.89Å; A313-L392 HydrophobicContact CB-CD2 3.96Å |
| 314 | R | 65.4 | Low | 54 | Low | 53 Ų | 53 | 61 Ų | 61 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113.8 | 169.1 | -64 | -160.6 | 176.9 | 169.2 | -7.2 | 110.6 | Y189 I323 S324 V389 Y390 G391 Q393 | Y189-R314 HydrophobicContact CE2-CG 4.05Å; R314-I323 HydrophobicContact CB-CG2 4.18Å; R314-I323 HydrophobicContact CG-CG2 4.32Å; R314-S324 WeakPolarHBondContact CA-O 3.49Å; R314-V389 WeakPolarHBondContact O-CA 3.47Å; R314-Y390 PolarHBondContact O-N 3.01Å; R314-G391 WeakPolarHBondContact CB-O 3.43Å; R314-G391 PolarHBondContact N-O 3.34Å; R314-Q393 HydrophobicContact CG-CB 4.49Å |
| 315 | I | 61.8 | Low | 54.7 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.179 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.5 | 174.1 | -57.3 | -170.3 | 0 | 0 | 0 | 108.7 | S324 I326 V389 | I315-S324 PolarHBondContact N-O 3.36Å; I315-S324 PolarHBondContact O-N 3.46Å; I315-S324 PolarHBondContact O-OG 3.08Å; I315-I326 HydrophobicContact CD1-CD1 3.78Å; I315-I326 HydrophobicContact CG1-CD1 4.44Å; I315-V389 HydrophobicContact CD1-CG2 4.31Å; I315-V389 HydrophobicContact CG1-CG2 4.1Å |
| 316 | S | 49.4 | Very low | 55.3 | Low | 42 Ų | 42 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.7 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | V318 | S316-V318 PolarHBondContact O-N 3.08Å |
| 317 | N | 50.8 | Low | 55.3 | Low | 79 Ų | 79 | 62.2 Ų | 62.2 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | trans | -74.4 | 114.7 | 169.4 | -73.9 | -28.9 | 0 | 0 | 0 | 108.6 | Y319 D320 T322 | N317-Y319 PolarHBondContact O-N 3.09Å; N317-D320 PolarHBondContact O-N 2.8Å; N317-T322 PolarHBondContact ND2-OG1 2.72Å | ||
| 318 | V | 46.1 | Very low | 55.6 | Low | 118 Ų | 118 | 61.7 Ų | 61.7 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -4.2 | -171.5 | 177.9 | 0 | 0 | 0 | 0 | 114.1 | S316 | S316-V318 PolarHBondContact O-N 3.08Š|
| 319 | Y | 37 | Very low | 55.8 | Low | 219 Ų | 219 | 60.9 Ų | 60.9 | 86% | 0.859 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -14.5 | -177.7 | -75.3 | -83.9 | 0 | 0 | 0 | 115.5 | N317 | N317-Y319 PolarHBondContact O-N 3.09Š|
| 320 | D | 37.8 | Very low | 55.6 | Low | 117 Ų | 117 | 62.7 Ų | 62.7 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -145 | 130.6 | 177.5 | -91.9 | -55.9 | 0 | 0 | 0 | 108.2 | N317 T322 | N317-D320 PolarHBondContact O-N 2.8Å; D320-T322 PolarHBondContact O-N 3.05Å; D320-T322 PolarHBondContact O-OG1 3.05Å |
| 321 | G | 36.4 | Very low | 55.4 | Low | 84 Ų | 84 | 62.9 Ų | 62.9 | 87% | 0.866 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -62.1 | 13.6 | -174 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 322 | T | 38.4 | Very low | 54.6 | Low | 80 Ų | 80 | 62.9 Ų | 62.9 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 127.1 | 169.7 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | N317 D320 | N317-T322 PolarHBondContact ND2-OG1 2.72Å; D320-T322 PolarHBondContact O-N 3.05Å; D320-T322 PolarHBondContact O-OG1 3.05Å |
| 323 | I | 53.3 | Low | 53.9 | Low | 114 Ų | 114 | 63 Ų | 63 | 59% | 0.585 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124 | 166.2 | -60.9 | 174 | 0 | 0 | 0 | 107.3 | R314 | R314-I323 HydrophobicContact CB-CG2 4.18Å; R314-I323 HydrophobicContact CG-CG2 4.32Å |
| 324 | S | 51.7 | Low | 53.1 | Low | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.1 | 172.1 | 69.2 | 0 | 0 | 0 | 0 | 110.3 | R314 I315 | R314-S324 WeakPolarHBondContact CA-O 3.49Å; I315-S324 PolarHBondContact N-O 3.36Å; I315-S324 PolarHBondContact O-N 3.46Å; I315-S324 PolarHBondContact O-OG 3.08Å |
| 325 | N | 57.6 | Low | 52.2 | Low | 63 Ų | 63 | 65.6 Ų | 65.6 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.8 | 170.2 | -83.1 | 29.2 | 0 | 0 | 0 | 108.4 | D312 A313 Q393 | D312-N325 HydrophobicContact CB-CB 4.13Å; A313-N325 CarbonylContact O-C 3.57Å; A313-N325 WeakPolarHBondContact O-CA 3.34Å; N325-Q393 VanDerWaalsContact ND2-CD 3.27Å; N325-Q393 PolarHBondContact ND2-NE2 2.92Å; N325-Q393 PolarHBondContact ND2-OE1 3.41Å |
| 326 | I | 62.8 | Low | 51.2 | Low | 86 Ų | 86 | 67.1 Ų | 67.1 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.2 | 175.5 | -56.1 | -171.9 | 0 | 0 | 0 | 108.7 | D312 A313 I315 I328 | D312-I326 CarbonylContact C-O 3.54Å; D312-I326 WeakPolarHBondContact CA-O 3.04Å; A313-I326 PolarHBondContact N-O 3.12Å; A313-I326 PolarHBondContact O-N 3.3Å; I315-I326 HydrophobicContact CD1-CD1 3.78Å; I315-I326 HydrophobicContact CG1-CD1 4.44Å; I326-I328 PolarHBondContact O-N 3.29Å |
| 327 | P | 58.3 | Low | 50.6 | Low | 71 Ų | 71 | 68.6 Ų | 68.6 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 124.9 | 179.5 | 27.3 | -33.7 | 0 | 0 | 0 | 111.1 | D312 | D312-P327 WeakPolarHBondContact OD1-CA 3.32Å; D312-P327 WeakPolarHBondContact OD1-CB 3.34Å |
| 328 | I | 64.8 | Low | 50.2 | Low | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -45.3 | -179.2 | -54.3 | 158.6 | 0 | 0 | 0 | 110.3 | L235 V311 A313 I326 Y383 I386 L392 | L235-I328 HydrophobicContact CD1-CD1 4.21Å; L235-I328 HydrophobicContact CD1-CG2 4.45Å; V311-I328 HydrophobicContact CB-CD1 4.46Å; V311-I328 HydrophobicContact CG1-CD1 4.12Å; V311-I328 WeakPolarHBondContact O-CB 3.41Å; V311-I328 PolarHBondContact O-N 3.48Å; A313-I328 HydrophobicContact CB-CD1 3.98Å; A313-I328 HydrophobicContact CB-CG1 4.12Å; I326-I328 PolarHBondContact O-N 3.29Å; I328-Y383 HydrophobicContact CG2-CD1 3.9Å; I328-Y383 HydrophobicContact CG2-CG 4.34Å; I328-I386 HydrophobicContact CD1-CD1 3.45Å; I328-I386 VanDerWaalsContact CD1-CD1 3.45Å; I328-I386 HydrophobicContact CG1-CD1 3.84Å; I328-I386 HydrophobicContact CG2-CD1 4.21Å; I328-L392 HydrophobicContact CD1-CD1 4.31Å; I328-L392 HydrophobicContact CD1-CD2 3.69Å |
| 329 | I | 67.2 | Low | 49.9 | Very low | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.046 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 146 | -171.3 | -167.7 | 179.8 | 0 | 0 | 0 | 110.5 | I237 L290 S310 V311 F331 Y383 | I237-I329 HydrophobicContact CD1-CD1 3.65Å; L290-I329 HydrophobicContact CD1-CD1 3.98Å; L290-I329 HydrophobicContact CD1-CG1 3.67Å; S310-I329 VanDerWaalsContact CA-O 3.29Å; S310-I329 WeakPolarHBondContact CA-O 3.11Å; V311-I329 HydrophobicContact CB-CG2 3.81Å; V311-I329 HydrophobicContact CG2-CG2 3.64Å; V311-I329 PolarHBondContact N-O 3.18Å; V311-I329 PolarHBondContact O-N 3.03Å; I329-F331 HydrophobicContact CD1-CD2 4.44Å; I329-F331 HydrophobicContact CD1-CE1 4.22Å; I329-F331 HydrophobicContact CD1-CE2 3.51Å; I329-F331 HydrophobicContact CD1-CZ 3.38Å; I329-F331 HydrophobicContact CG1-CE2 4.12Å; I329-F331 HydrophobicContact CG1-CZ 4.27Å; I329-Y383 HydrophobicContact CB-CD1 4.49Å; I329-Y383 HydrophobicContact CB-CE1 4.09Å; I329-Y383 HydrophobicContact CD1-CD2 4.33Å; I329-Y383 HydrophobicContact CD1-CE1 3.94Å; I329-Y383 HydrophobicContact CD1-CE2 3.61Å; I329-Y383 WeakPolarHBondContact CD1-OH 3.4Å; I329-Y383 HydrophobicContact CG1-CE1 4.04Å |
| 330 | R | 58.3 | Low | 49.8 | Very low | 51 Ų | 51 | 62.4 Ų | 62.4 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.4 | 168.3 | -53.1 | -158.1 | 172 | 168 | 0.3 | 110.5 | A291 L309 | A291-R330 HydrophobicContact CB-CB 4.25Å; A291-R330 WeakPolarHBondContact CB-O 3.4Å; A291-R330 PolarHBondContact N-O 2.93Å; L309-R330 CarbonylContact O-C 3.36Å; L309-R330 WeakPolarHBondContact O-CA 3.33Å |
| 331 | F | 61.4 | Low | 49.6 | Very low | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 144.3 | 164.6 | -56.5 | -87.1 | 0 | 0 | 0 | 109.3 | I237 I240 L288 I289 L290 Y308 L309 I329 | I237-F331 HydrophobicContact CD1-CE2 3.59Å; I237-F331 HydrophobicContact CD1-CZ 3.56Å; I237-F331 HydrophobicContact CG2-CZ 4.24Å; I240-F331 HydrophobicContact CD1-CD1 3.99Å; I240-F331 HydrophobicContact CD1-CE1 3.53Å; I240-F331 HydrophobicContact CD1-CZ 4Å; L288-F331 HydrophobicContact CD2-CB 3.93Å; I289-F331 WeakPolarHBondContact O-CA 3.43Å; L290-F331 HydrophobicContact CD1-CD1 4.39Å; L290-F331 HydrophobicContact CD1-CE1 4.16Å; Y308-F331 VanDerWaalsContact CA-O 3.23Å; Y308-F331 WeakPolarHBondContact CA-O 3.41Å; Y308-F331 VanDerWaalsContact CB-O 3.29Å; Y308-F331 WeakPolarHBondContact CB-O 3.48Å; L309-F331 HydrophobicContact CB-CB 4.48Å; L309-F331 HydrophobicContact CB-CD2 4.21Å; L309-F331 HydrophobicContact CD2-CD2 4.08Å; L309-F331 HydrophobicContact CD2-CE2 4.37Å; L309-F331 HydrophobicContact CG-CD2 4.24Å; L309-F331 PolarHBondContact N-O 3.2Å; L309-F331 PolarHBondContact O-N 3.4Å; I329-F331 HydrophobicContact CD1-CD2 4.44Å; I329-F331 HydrophobicContact CD1-CE1 4.22Å; I329-F331 HydrophobicContact CD1-CE2 3.51Å; I329-F331 HydrophobicContact CD1-CZ 3.38Å; I329-F331 HydrophobicContact CG1-CE2 4.12Å; I329-F331 HydrophobicContact CG1-CZ 4.27Å |
| 332 | C | 53.8 | Low | 49.5 | Very low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.2 | 171.6 | -64.9 | 0 | 0 | 0 | 0 | 109.5 | I289 A291 C296 | I289-C332 PolarHBondContact N-O 2.89Å; I289-C332 PolarHBondContact O-N 3.31Å; A291-C332 HydrophobicContact CB-CB 4.21Å; C296-C332 WeakPolarHBondContact CB-SG 3.42Å; C296-C332 WeakPolarHBondContact SG-CB 3.28Å; C296-C332 CovalentContact SG-SG 2.04Å; C296-C332 PolarHBondContact SG-SG 2.97Å |
| 333 | S | 53.3 | Low | 49.2 | Very low | 21 Ų | 21 | 64.8 Ų | 64.8 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 126.5 | 169.9 | -174 | 0 | 0 | 0 | 0 | 109 | H306 D307 | H306-S333 VanDerWaalsContact CB-O 3.31Å; H306-S333 WeakPolarHBondContact CB-O 3.32Å; D307-S333 WeakPolarHBondContact O-CB 3.46Å; D307-S333 PolarHBondContact O-N 3.16Å |
| 334 | I | 50.1 | Low | 48.3 | Very low | 44 Ų | 44 | 64.6 Ų | 64.6 | 23% | 0.226 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.4 | 179.1 | -54.7 | -172.5 | 0 | 0 | 0 | 108.9 | N287 I289 N336 | N287-I334 PolarHBondContact O-N 3.47Å; I289-I334 HydrophobicContact CB-CD1 4.22Å; I289-I334 HydrophobicContact CB-CG1 4.47Å; I289-I334 HydrophobicContact CD1-CB 4.25Å; I289-I334 HydrophobicContact CD1-CD1 4.11Å; I289-I334 HydrophobicContact CD1-CG1 4.38Å; I289-I334 HydrophobicContact CG2-CD1 4.44Å; I334-N336 PolarHBondContact O-N 2.86Å |
| 335 | N | 47 | Very low | 47.4 | Very low | 65 Ų | 65 | 72.2 Ų | 72.2 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | trans | -74.2 | 124 | 175.5 | -172 | -45.2 | 0 | 0 | 0 | 109.8 | S337 T338 | N335-S337 PolarHBondContact O-N 3.5Å; N335-S337 VanDerWaalsContact OD1-CB 3.32Å; N335-S337 WeakPolarHBondContact OD1-CB 3.45Å; N335-S337 PolarHBondContact OD1-N 3.21Å; N335-S337 PolarHBondContact OD1-OG 3.33Å; N335-T338 PolarHBondContact O-N 3.46Å; N335-T338 PolarHBondContact O-OG1 3.03Å | ||
| 336 | N | 40.3 | Very low | 46.1 | Very low | 67 Ų | 67 | 80.8 Ų | 80.8 | 36% | 0.358 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -16.9 | -177.2 | -107 | -50.3 | 0 | 0 | 0 | 114.2 | N285 I334 K340 | N285-N336 PolarHBondContact O-ND2 2.78Å; I334-N336 PolarHBondContact O-N 2.86Å; N336-K340 PolarHBondContact O-N 3.35Å |
| 337 | S | 36.3 | Very low | 44.5 | Very low | 73 Ų | 73 | 85.8 Ų | 85.8 | 51% | 0.51 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | N335 T341 | N335-S337 PolarHBondContact O-N 3.5Å; N335-S337 VanDerWaalsContact OD1-CB 3.32Å; N335-S337 WeakPolarHBondContact OD1-CB 3.45Å; N335-S337 PolarHBondContact OD1-N 3.21Å; N335-S337 PolarHBondContact OD1-OG 3.33Å; S337-T341 PolarHBondContact O-OG1 2.8Å |
| 338 | T | 42.9 | Very low | 43.1 | Very low | 67 Ų | 67 | 89 Ų | 89 | 41% | 0.411 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.9 | -27.3 | 175.4 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | N335 T341 | N335-T338 PolarHBondContact O-N 3.46Å; N335-T338 PolarHBondContact O-OG1 3.03Å; T338-T341 PolarHBondContact O-N 3.46Å; T338-T341 PolarHBondContact O-OG1 3.07Å; T338-T341 VanDerWaalsContact O-OG1 3.12Å |
| 339 | L | 40.1 | Very low | 41.5 | Very low | 79 Ų | 79 | 96.1 Ų | 96.1 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 173.9 | -155.6 | 75 | 0 | 0 | 0 | 112.3 | T341 T342 T343 | L339-T341 VanDerWaalsContact C-N 3.26Å; L339-T341 PolarHBondContact O-N 3.47Å; L339-T342 PolarHBondContact O-OG1 3.31Å; L339-T343 PolarHBondContact O-OG1 2.95Å; L339-T343 VanDerWaalsContact O-OG1 3.09Å |
| 340 | K | 33.4 | Very low | 39.5 | Very low | 140 Ų | 140 | 104.7 Ų | 104.7 | 61% | 0.609 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22 | 177.1 | -89.9 | -179.5 | 174.9 | 173.3 | 0 | 114.7 | N336 T344 | N336-K340 PolarHBondContact O-N 3.35Å; K340-T344 PolarHBondContact O-OG1 3.45Å |
| 341 | T | 33.6 | Very low | 38.2 | Very low | 98 Ų | 98 | 108 Ų | 108 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -13.6 | -171.7 | 20.1 | 0 | 0 | 0 | 0 | 114.7 | S337 T338 L339 | S337-T341 PolarHBondContact O-OG1 2.8Å; T338-T341 PolarHBondContact O-N 3.46Å; T338-T341 PolarHBondContact O-OG1 3.07Å; T338-T341 VanDerWaalsContact O-OG1 3.12Å; L339-T341 VanDerWaalsContact C-N 3.26Å; L339-T341 PolarHBondContact O-N 3.47Å |
| 342 | T | 34.9 | Very low | 36.6 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -29.1 | 176 | 41.2 | 0 | 0 | 0 | 0 | 114 | L339 | L339-T342 PolarHBondContact O-OG1 3.31Š|
| 343 | T | 33 | Very low | 35.4 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 72% | 0.718 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -86.9 | -7.1 | -171.9 | -2.7 | 0 | 0 | 0 | 0 | 114.9 | L339 | L339-T343 PolarHBondContact O-OG1 2.95Å; L339-T343 VanDerWaalsContact O-OG1 3.09Å |
| 344 | T | 33 | Very low | 34.2 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 68% | 0.681 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -114 | 22.3 | -166.8 | 45.4 | 0 | 0 | 0 | 0 | 114.1 | K340 | K340-T344 PolarHBondContact O-OG1 3.45Š|
| 345 | K | 32.3 | Very low | 33.1 | Very low | 188 Ų | 188 | 131.8 Ų | 131.8 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -137.4 | 27.6 | -171.2 | -106.7 | -176.8 | -179.4 | -179.9 | 0 | 116.6 | ||
| 346 | R | 30.7 | Very low | 32.1 | Very low | 244 Ų | 244 | 132.9 Ų | 132.9 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | trans | -144.3 | 27 | 178.2 | -137.4 | 173.5 | -170.9 | 166.5 | 2.5 | 116.9 | ||||
| 347 | E | 28.9 | Very low | 31.5 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -107.3 | 65.5 | 172.2 | -69 | -167.1 | 130.3 | 0 | 0 | 112.3 | ||||
| 348 | T | 29.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -169.5 | 166.8 | 154.8 | 3.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 349 | E | 31.2 | Very low | 30.4 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 63.1 | 66.6 | 179.3 | -58.5 | -165.6 | 147.5 | 0 | 0 | 116.2 | ||||
| 350 | M | 25.8 | Very low | 29.5 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 93% | 0.931 | 78% | 0.784 | S | S | * | * | trans | -98 | 113.1 | 150.2 | -91.6 | -163.4 | -79.7 | 0 | 0 | 110.2 | ||||
| 351 | T | 29.2 | Very low | 29.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -154.3 | 117.7 | 161.5 | 8.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 352 | N | 28.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 51.2 | 94.4 | 149.6 | -54.9 | -11.5 | 0 | 0 | 0 | 119.7 | ||||
| 353 | S | 29.3 | Very low | 28.2 | Very low | 127 Ų | 127 | 143 Ų | 143 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | -171.6 | 145.8 | 102.4 | 33.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 354 | S | 27.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -79 | 165.3 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 355 | F | 26.3 | Very low | 27.5 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | cis | -172.6 | 172.6 | -25.9 | -120 | -74.3 | 0 | 0 | 0 | 106.7 | ||||
| 356 | A | 27 | Very low | 27.4 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 69.7 | 152.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 357 | S | 27.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | 178.1 | 142.4 | -41.7 | 48.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 358 | G | 27.7 | Very low | 27.2 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | cis | -159.4 | 131 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 359 | S | 27 | Very low | 27.2 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | trans | -163.2 | 173.6 | 166 | 54.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 360 | F | 22.8 | Very low | 27 | Very low | 199 Ų | 199 | 126.4 Ų | 126.4 | 87% | 0.873 | 74% | 0.738 | S | S | * | * | trans | 65.3 | 156 | -164.1 | -36.7 | -67.2 | 0 | 0 | 0 | 111.4 | ||||
| 361 | S | 24.2 | Very low | 26.9 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | cis | -163.5 | 168.2 | -10.1 | 34.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 362 | L | 24 | Very low | 26.8 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | 17.8 | 132.7 | 141.9 | -64.9 | 167.3 | 0 | 0 | 0 | 119.6 | ||||
| 363 | N | 25.2 | Very low | 27 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | trans | 65.9 | 95 | 136.4 | -59 | -3.3 | 0 | 0 | 0 | 119.1 | I365 | N363-I365 HydrophobicContact CB-CD1 3.81Å; N363-I365 HydrophobicContact CB-CG1 4.08Å | ||
| 364 | S | 25.7 | Very low | 27 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -140.7 | 101.4 | 145.4 | -177.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 365 | I | 27 | Very low | 27.3 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | cis | 53.8 | 72 | 42.6 | -37.8 | -175.7 | 0 | 0 | 0 | 111.3 | N363 S367 | N363-I365 HydrophobicContact CB-CD1 3.81Å; N363-I365 HydrophobicContact CB-CG1 4.08Å; I365-S367 WeakPolarHBondContact CG2-OG 3.23Å; I365-S367 PolarHBondContact O-N 3.32Å; I365-S367 PolarHBondContact O-OG 3.47Å | ||
| 366 | D | 28.6 | Very low | 27.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | trans | -74.4 | 59.3 | 167.2 | -162 | 9.2 | 0 | 0 | 0 | 110.4 | N368 K369 | D366-N368 PolarHBondContact O-N 2.88Å; D366-K369 PolarHBondContact O-N 2.76Å; D366-K369 VanDerWaalsContact O-N 3.14Å; D366-K369 IonicContact OD1-NZ 2.61Å; D366-K369 WeakPolarHBondContact OD2-CD 3.4Å; D366-K369 IonicContact OD2-NZ 3.73Å; D366-K369 PolarHBondContact OD2-NZ 3.45Å | ||
| 367 | S | 28.1 | Very low | 27.7 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -9.1 | -169.5 | -2 | 0 | 0 | 0 | 0 | 115 | I365 | I365-S367 WeakPolarHBondContact CG2-OG 3.23Å; I365-S367 PolarHBondContact O-N 3.32Å; I365-S367 PolarHBondContact O-OG 3.47Å |
| 368 | N | 29 | Very low | 28 | Very low | 157 Ų | 157 | 122 Ų | 122 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 9.1 | -176.9 | -68.6 | -7.2 | 0 | 0 | 0 | 113.4 | D366 | D366-N368 PolarHBondContact O-N 2.88Š|
| 369 | K | 28.1 | Very low | 28.3 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 55% | 0.552 | 66% | 0.657 | S | S | * | * | trans | -105.3 | 43.4 | 169.3 | -70.3 | -161.1 | -175.3 | 96.8 | 0 | 113.8 | D366 Y371 | D366-K369 PolarHBondContact O-N 2.76Å; D366-K369 VanDerWaalsContact O-N 3.14Å; D366-K369 IonicContact OD1-NZ 2.61Å; D366-K369 WeakPolarHBondContact OD2-CD 3.4Å; D366-K369 IonicContact OD2-NZ 3.73Å; D366-K369 PolarHBondContact OD2-NZ 3.45Å; K369-Y371 HydrophobicContact CB-CD2 4.27Å; K369-Y371 HydrophobicContact CB-CE2 4.34Å; K369-Y371 HydrophobicContact CD-CE2 4.12Å; K369-Y371 HydrophobicContact CG-CE2 4.2Å; K369-Y371 PolarHBondContact O-N 2.82Å | ||
| 370 | L | 26.7 | Very low | 28.6 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 72% | 0.723 | 64% | 0.635 | S | S | * | * | trans | -70.9 | 78.6 | 154.5 | -91.2 | 78.5 | 0 | 0 | 0 | 109 | ||||
| 371 | Y | 24.4 | Very low | 29.3 | Very low | 173 Ų | 173 | 112.9 Ų | 112.9 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | trans | -66.5 | 132 | 155.9 | -77.1 | -90.9 | 0 | 0 | 0 | 107.8 | K369 L373 | K369-Y371 HydrophobicContact CB-CD2 4.27Å; K369-Y371 HydrophobicContact CB-CE2 4.34Å; K369-Y371 HydrophobicContact CD-CE2 4.12Å; K369-Y371 HydrophobicContact CG-CE2 4.2Å; K369-Y371 PolarHBondContact O-N 2.82Å; Y371-L373 PolarHBondContact O-N 3.02Å; Y371-L373 VanDerWaalsContact O-N 3.09Å | ||
| 372 | P | 27.1 | Very low | 30.2 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 81% | 0.805 | 59% | 0.59 | S | S | * | * | trans | -64.8 | 111.5 | 163.6 | 27.9 | -31.1 | 0 | 0 | 0 | 107.1 | D374 | P372-D374 PolarHBondContact O-N 3.38Š| ||
| 373 | L | 32.5 | Very low | 31.1 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | trans | -64.6 | 130.8 | 174.6 | -89.8 | 74.4 | 0 | 0 | 0 | 109 | Y371 E375 | Y371-L373 PolarHBondContact O-N 3.02Å; Y371-L373 VanDerWaalsContact O-N 3.09Å; L373-E375 PolarHBondContact O-N 3.11Å | ||
| 374 | D | 29.9 | Very low | 32 | Very low | 125 Ų | 125 | 102.5 Ų | 102.5 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | trans | -55.8 | 134.7 | 161 | -86 | -49.6 | 0 | 0 | 0 | 109.1 | P372 S376 Y377 | P372-D374 PolarHBondContact O-N 3.38Å; D374-S376 PolarHBondContact O-N 3.12Å; D374-Y377 PolarHBondContact O-N 3.47Å | ||
| 375 | E | 33.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 100.8 Ų | 100.8 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -60.2 | -9.2 | -176.8 | -63.3 | 178.2 | 156.6 | 0 | 0 | 113.5 | K244 L373 Y377 | K244-E375 IonicContact NZ-OE1 2.62Å; K244-E375 IonicContact NZ-OE2 3.95Å; K244-E375 PolarHBondContact NZ-OE2 3.03Å; L373-E375 PolarHBondContact O-N 3.11Å; E375-Y377 PolarHBondContact O-N 3.18Å |
| 376 | S | 29.5 | Very low | 34 | Very low | 85 Ų | 85 | 97 Ų | 97 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -69.5 | -21.8 | 176.8 | 55 | 0 | 0 | 0 | 0 | 114.9 | D374 | D374-S376 PolarHBondContact O-N 3.12Š|
| 377 | Y | 32.2 | Very low | 34.9 | Very low | 164 Ų | 164 | 95.5 Ų | 95.5 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -88.2 | -9.3 | -171.3 | -91.8 | -83.3 | 0 | 0 | 0 | 116.2 | D374 E375 Q381 | D374-Y377 PolarHBondContact O-N 3.47Å; E375-Y377 PolarHBondContact O-N 3.18Å; Y377-Q381 PolarHBondContact O-NE2 3.04Å |
| 378 | L | 34.7 | Very low | 36.1 | Very low | 75 Ų | 75 | 95.7 Ų | 95.7 | 39% | 0.393 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -24.9 | 177.9 | -75.9 | 167.4 | 0 | 0 | 0 | 113.3 | L290 G380 | L290-L378 HydrophobicContact CB-CD2 4.43Å; L378-G380 PolarHBondContact O-N 3.25Å; L378-G380 VanDerWaalsContact O-N 3.14Å |
| 379 | V | 33.8 | Very low | 37.5 | Very low | 93 Ų | 93 | 88.5 Ų | 88.5 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 106.7 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 380 | G | 32.9 | Very low | 38.9 | Very low | 16 Ų | 16 | 88.2 Ų | 88.2 | 17% | 0.165 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 19.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | R236 L378 I382 | R236-G380 PolarHBondContact NH2-O 3.33Å; L378-G380 PolarHBondContact O-N 3.25Å; L378-G380 VanDerWaalsContact O-N 3.14Å; G380-I382 PolarHBondContact O-N 3.29Å |
| 381 | Q | 38.7 | Very low | 40.4 | Very low | 64 Ų | 64 | 81.7 Ų | 81.7 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | trans | -51.1 | 137 | 164.6 | -68.9 | -172 | -4.3 | 0 | 0 | 110.7 | Y377 Y383 | Y377-Q381 PolarHBondContact O-NE2 3.04Å; Q381-Y383 HydrophobicContact CB-CE2 3.94Å; Q381-Y383 PolarHBondContact OE1-OH 3.25Å | ||
| 382 | I | 41.7 | Very low | 42.3 | Very low | 62 Ų | 62 | 73.4 Ų | 73.4 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.2 | -178.6 | -61.6 | 157.6 | 0 | 0 | 0 | 107 | I234 G380 F436 | I234-I382 HydrophobicContact CG2-CG2 3.57Å; G380-I382 PolarHBondContact O-N 3.29Å; I382-F436 HydrophobicContact CD1-CB 4.3Å; I382-F436 HydrophobicContact CD1-CD2 3.87Å; I382-F436 HydrophobicContact CG1-CD2 3.96Å; I382-F436 HydrophobicContact CG2-CD2 4.13Å; I382-F436 HydrophobicContact CG2-CE2 4.17Å |
| 383 | Y | 44.1 | Very low | 44.3 | Very low | 48 Ų | 48 | 68.3 Ų | 68.3 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.6 | 173.1 | -68.7 | -102.8 | 0 | 0 | 0 | 107 | I234 L235 I328 I329 Q381 | I234-Y383 VanDerWaalsContact CG2-O 3.31Å; I234-Y383 WeakPolarHBondContact CG2-O 3.48Å; L235-Y383 PolarHBondContact N-O 2.92Å; L235-Y383 PolarHBondContact O-N 2.91Å; I328-Y383 HydrophobicContact CG2-CD1 3.9Å; I328-Y383 HydrophobicContact CG2-CG 4.34Å; I329-Y383 HydrophobicContact CB-CD1 4.49Å; I329-Y383 HydrophobicContact CB-CE1 4.09Å; I329-Y383 HydrophobicContact CD1-CD2 4.33Å; I329-Y383 HydrophobicContact CD1-CE1 3.94Å; I329-Y383 HydrophobicContact CD1-CE2 3.61Å; I329-Y383 WeakPolarHBondContact CD1-OH 3.4Å; I329-Y383 HydrophobicContact CG1-CE1 4.04Å; Q381-Y383 HydrophobicContact CB-CE2 3.94Å; Q381-Y383 PolarHBondContact OE1-OH 3.25Å |
| 384 | G | 42.4 | Very low | 46 | Very low | 40 Ų | 40 | 62.5 Ų | 62.5 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 178.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I386 | G384-I386 VanDerWaalsContact O-CG1 3.24Å; G384-I386 WeakPolarHBondContact O-CG1 3.43Å; G384-I386 PolarHBondContact O-N 3.18Å |
| 385 | P | 43.9 | Very low | 47.6 | Very low | 81 Ų | 81 | 57.4 Ų | 57.4 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 101.4 | -170.7 | 24.5 | -35 | 0 | 0 | 0 | 112.6 | T232 F233 S387 | T232-P385 HydrophobicContact CG2-CB 3.32Å; F233-P385 WeakPolarHBondContact O-CA 3.32Å; P385-S387 PolarHBondContact O-N 2.91Å |
| 386 | I | 52.4 | Low | 49.1 | Very low | 34 Ų | 34 | 51.2 Ų | 51.2 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 103.7 | 177.5 | -28.4 | 179 | 0 | 0 | 0 | 108.3 | F233 A313 I328 G384 V389 L392 | F233-I386 HydrophobicContact CB-CB 4.49Å; F233-I386 PolarHBondContact N-O 3.28Å; F233-I386 VanDerWaalsContact N-O 3.16Å; F233-I386 PolarHBondContact O-N 3.5Å; A313-I386 HydrophobicContact CB-CG2 4.31Å; I328-I386 HydrophobicContact CD1-CD1 3.45Å; I328-I386 VanDerWaalsContact CD1-CD1 3.45Å; I328-I386 HydrophobicContact CG1-CD1 3.84Å; I328-I386 HydrophobicContact CG2-CD1 4.21Å; G384-I386 VanDerWaalsContact O-CG1 3.24Å; G384-I386 WeakPolarHBondContact O-CG1 3.43Å; G384-I386 PolarHBondContact O-N 3.18Å; I386-V389 HydrophobicContact CB-CG2 3.82Å; I386-V389 HydrophobicContact CG2-CG2 3.4Å; I386-L392 HydrophobicContact CD1-CD2 4.43Å |
| 387 | S | 46.5 | Very low | 50.7 | Low | 67 Ų | 67 | 50.3 Ų | 50.3 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | trans | -85.4 | 161.5 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 112 | P385 V389 | P385-S387 PolarHBondContact O-N 2.91Å; S387-V389 PolarHBondContact O-N 2.83Å | ||
| 388 | N | 53.1 | Low | 51.9 | Low | 82 Ų | 82 | 43 Ų | 43 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 62.1 | 21.7 | 178.9 | -54.7 | -9.3 | 0 | 0 | 0 | 115.1 | ||
| 389 | V | 58 | Low | 52.8 | Low | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | trans | -93.5 | 128.3 | -178.5 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | F233 A313 R314 I315 I386 S387 G391 L392 | F233-V389 HydrophobicContact CD2-CB 3.79Å; F233-V389 HydrophobicContact CD2-CG1 3.69Å; F233-V389 HydrophobicContact CE2-CB 3.98Å; F233-V389 HydrophobicContact CE2-CG1 3.64Å; A313-V389 HydrophobicContact CB-CG1 4.24Å; A313-V389 HydrophobicContact CB-CG2 3.89Å; R314-V389 WeakPolarHBondContact O-CA 3.47Å; I315-V389 HydrophobicContact CD1-CG2 4.31Å; I315-V389 HydrophobicContact CG1-CG2 4.1Å; I386-V389 HydrophobicContact CB-CG2 3.82Å; I386-V389 HydrophobicContact CG2-CG2 3.4Å; S387-V389 PolarHBondContact O-N 2.83Å; V389-G391 VanDerWaalsContact CG1-O 3.28Å; V389-G391 WeakPolarHBondContact CG1-O 3.34Å; V389-L392 HydrophobicContact CG1-CD2 3.73Å | ||
| 390 | Y | 58.4 | Low | 53.6 | Low | 122 Ų | 122 | 41 Ų | 41 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -85.8 | -16.5 | 177.8 | -72.2 | -103.2 | 0 | 0 | 0 | 112.7 | Y189 A192 R314 | Y189-Y390 PolarHBondContact OH-O 2.83Å; A192-Y390 VanDerWaalsContact CB-O 3.28Å; A192-Y390 WeakPolarHBondContact CB-O 3.25Å; A192-Y390 PolarHBondContact N-O 3.33Å; R314-Y390 PolarHBondContact O-N 3.01Å |
| 391 | G | 58.8 | Low | 54 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.6 | 167.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y189 L190 R314 V389 | Y189-G391 WeakPolarHBondContact OH-CA 3.29Å; Y189-G391 PolarHBondContact OH-N 3.4Å; L190-G391 CarbonylContact O-C 3.3Å; L190-G391 WeakPolarHBondContact O-CA 3.44Å; R314-G391 WeakPolarHBondContact CB-O 3.43Å; R314-G391 PolarHBondContact N-O 3.34Å; V389-G391 VanDerWaalsContact CG1-O 3.28Å; V389-G391 WeakPolarHBondContact CG1-O 3.34Å |
| 392 | L | 64.2 | Low | 54.3 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.2 | 176.3 | -62.6 | -166.2 | 0 | 0 | 0 | 111.1 | Y189 L190 F233 L235 V311 A313 I328 I386 V389 F394 Y415 | Y189-L392 WeakPolarHBondContact CD2-O 3.2Å; L190-L392 HydrophobicContact CB-CB 4.46Å; L190-L392 PolarHBondContact N-O 3.05Å; L190-L392 PolarHBondContact O-N 3.11Å; F233-L392 HydrophobicContact CB-CD1 4.19Å; F233-L392 HydrophobicContact CD1-CD1 3.78Å; F233-L392 HydrophobicContact CD1-CG 3.73Å; F233-L392 HydrophobicContact CE1-CD1 4.41Å; F233-L392 HydrophobicContact CE1-CG 3.97Å; F233-L392 HydrophobicContact CG-CD1 4.14Å; F233-L392 HydrophobicContact CG-CD2 4.45Å; F233-L392 HydrophobicContact CG-CG 4.05Å; F233-L392 HydrophobicContact CZ-CG 4.46Å; L235-L392 HydrophobicContact CD1-CD1 3.82Å; L235-L392 HydrophobicContact CD2-CD1 3.85Å; L235-L392 HydrophobicContact CG-CD1 3.86Å; V311-L392 HydrophobicContact CG1-CB 4.28Å; V311-L392 HydrophobicContact CG1-CD1 4.43Å; A313-L392 HydrophobicContact CB-CD2 3.96Å; I328-L392 HydrophobicContact CD1-CD1 4.31Å; I328-L392 HydrophobicContact CD1-CD2 3.69Å; I386-L392 HydrophobicContact CD1-CD2 4.43Å; V389-L392 HydrophobicContact CG1-CD2 3.73Å; L392-F394 HydrophobicContact CB-CD2 4.46Å; L392-F394 HydrophobicContact CB-CE2 3.88Å; L392-Y415 WeakPolarHBondContact CD1-OH 2.97Å |
| 393 | Q | 68.7 | Low | 54 | Low | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.6 | 175.3 | 174.8 | 175.7 | -40.8 | 0 | 0 | 109 | Q187 Y189 V311 D312 R314 N325 T395 | Q187-Q393 HydrophobicContact CG-CG 3.81Å; Y189-Q393 HydrophobicContact CD2-CB 4.41Å; V311-Q393 CarbonylContact C-O 3.46Å; V311-Q393 WeakPolarHBondContact CA-O 3.06Å; D312-Q393 HydrophobicContact CB-CB 4.46Å; D312-Q393 PolarHBondContact N-O 2.96Å; D312-Q393 PolarHBondContact O-N 3.38Å; R314-Q393 HydrophobicContact CG-CB 4.49Å; N325-Q393 VanDerWaalsContact ND2-CD 3.27Å; N325-Q393 PolarHBondContact ND2-NE2 2.92Å; N325-Q393 PolarHBondContact ND2-OE1 3.41Å; Q393-T395 HydrophobicContact CG-CG2 4.37Å |
| 394 | F | 67.4 | Low | 53.6 | Low | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.5 | 173 | -71.1 | -110.2 | 0 | 0 | 0 | 108.1 | Q187 F188 L190 L235 S310 V311 L392 L413 Y415 | Q187-F394 CarbonylContact C-O 3.57Å; Q187-F394 VanDerWaalsContact CA-O 3.24Å; Q187-F394 WeakPolarHBondContact CA-O 3.29Å; F188-F394 HydrophobicContact CD1-CB 3.77Å; F188-F394 HydrophobicContact CD2-CB 3.97Å; F188-F394 HydrophobicContact CD2-CD2 4.26Å; F188-F394 HydrophobicContact CD2-CG 4.25Å; F188-F394 HydrophobicContact CE1-CB 3.45Å; F188-F394 VanDerWaalsContact CE1-CB 3.45Å; F188-F394 HydrophobicContact CE1-CD1 4.38Å; F188-F394 HydrophobicContact CE1-CG 4.06Å; F188-F394 HydrophobicContact CE2-CB 3.66Å; F188-F394 HydrophobicContact CE2-CD1 4.13Å; F188-F394 AromaticContact CE2-CD2 3.71Å; F188-F394 HydrophobicContact CE2-CD2 3.71Å; F188-F394 HydrophobicContact CE2-CE2 4.43Å; F188-F394 AromaticContact CE2-CG 3.56Å; F188-F394 HydrophobicContact CE2-CG 3.56Å; F188-F394 HydrophobicContact CG-CB 4.02Å; F188-F394 HydrophobicContact CZ-CB 3.39Å; F188-F394 AromaticContact CZ-CD1 3.68Å; F188-F394 HydrophobicContact CZ-CD1 3.68Å; F188-F394 HydrophobicContact CZ-CD2 4.1Å; F188-F394 AromaticContact CZ-CG 3.45Å; F188-F394 HydrophobicContact CZ-CG 3.45Å; F188-F394 VanDerWaalsContact CZ-CG 3.45Å; F188-F394 PolarHBondContact N-O 2.94Å; F188-F394 PolarHBondContact O-N 3.46Å; L190-F394 HydrophobicContact CD1-CD2 3.79Å; L190-F394 HydrophobicContact CD1-CE2 3.34Å; L190-F394 HydrophobicContact CD1-CZ 4.06Å; L235-F394 HydrophobicContact CD2-CZ 4.01Å; S310-F394 WeakPolarHBondContact O-CA 3.19Å; V311-F394 HydrophobicContact CB-CD1 4.4Å; V311-F394 HydrophobicContact CB-CE1 4.33Å; V311-F394 HydrophobicContact CG1-CD1 4.07Å; V311-F394 HydrophobicContact CG1-CD2 3.87Å; V311-F394 HydrophobicContact CG1-CE1 3.85Å; V311-F394 HydrophobicContact CG1-CE2 3.62Å; V311-F394 HydrophobicContact CG1-CG 4.07Å; V311-F394 HydrophobicContact CG1-CZ 3.62Å; V311-F394 HydrophobicContact CG2-CD1 3.56Å; V311-F394 HydrophobicContact CG2-CE1 3.45Å; V311-F394 VanDerWaalsContact CG2-CE1 3.45Å; V311-F394 HydrophobicContact CG2-CG 4.26Å; V311-F394 HydrophobicContact CG2-CZ 4.07Å; L392-F394 HydrophobicContact CB-CD2 4.46Å; L392-F394 HydrophobicContact CB-CE2 3.88Å; F394-L413 HydrophobicContact CD1-CD1 4.13Å; F394-L413 HydrophobicContact CE1-CD1 3.63Å; F394-L413 HydrophobicContact CE1-CD2 4.2Å; F394-L413 HydrophobicContact CZ-CD1 4.43Å; F394-Y415 HydrophobicContact CZ-CE2 4.38Å |
| 395 | T | 64.2 | Low | 53.2 | Low | 18 Ų | 18 | 48.9 Ų | 48.9 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.8 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | H186 Q187 S310 Q393 | H186-T395 CarbonylContact O-C 3.6Å; H186-T395 WeakPolarHBondContact O-CA 3.07Å; Q187-T395 HydrophobicContact CB-CG2 4.02Å; Q187-T395 HydrophobicContact CG-CG2 3.87Å; S310-T395 PolarHBondContact N-O 3.45Å; S310-T395 PolarHBondContact O-N 2.83Å; S310-T395 PolarHBondContact OG-OG1 3.39Å; Q393-T395 HydrophobicContact CG-CG2 4.37Å |
| 396 | S | 66.6 | Low | 52.5 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.2 | -178.5 | 75.2 | 0 | 0 | 0 | 0 | 113.6 | L184 H186 Y308 | L184-S396 WeakPolarHBondContact CB-OG 3.45Å; H186-S396 PolarHBondContact ND1-O 3.45Å; H186-S396 PolarHBondContact O-N 2.97Å; Y308-S396 CarbonylContact O-C 3.5Å; Y308-S396 VanDerWaalsContact O-CA 3.25Å; Y308-S396 WeakPolarHBondContact O-CA 3.4Å; Y308-S396 WeakPolarHBondContact O-CB 3.33Å |
| 397 | N | 62.9 | Low | 51.3 | Low | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | trans | -136.3 | 35.6 | 169.7 | -166.1 | 52.7 | 0 | 0 | 0 | 110.2 | D307 Y308 | D307-N397 WeakPolarHBondContact CA-O 3.4Å; Y308-N397 HydrophobicContact CD1-CB 3.71Å; Y308-N397 HydrophobicContact CE1-CB 3.55Å; Y308-N397 PolarHBondContact O-N 3.39Å | ||
| 398 | L | 57.4 | Low | 50.3 | Low | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | trans | -76.9 | 127.5 | 177.1 | -81.3 | 159.6 | 0 | 0 | 0 | 109.9 | H183 L288 D307 L309 I411 | H183-L398 PolarHBondContact ND1-O 3.44Å; L288-L398 HydrophobicContact CD1-CD2 4.13Å; L288-L398 HydrophobicContact CD2-CD2 4.38Å; D307-L398 HydrophobicContact CB-CD2 4.02Å; L309-L398 HydrophobicContact CB-CD1 3.92Å; L398-I411 HydrophobicContact CD1-CD1 4.17Å | ||
| 399 | N | 52.2 | Low | 49.1 | Very low | 57 Ų | 57 | 57.4 Ų | 57.4 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 114.1 | 169.2 | -171.3 | 4.5 | 0 | 0 | 0 | 109.3 | N182 D307 L401 I405 | N182-N399 PolarHBondContact O-OD1 2.89Å; D307-N399 PolarHBondContact OD2-N 3.38Å; N399-L401 PolarHBondContact O-N 3.37Å; N399-I405 VanDerWaalsContact O-CD1 3.32Å; N399-I405 WeakPolarHBondContact O-CD1 3.22Å |
| 400 | L | 51 | Low | 47.5 | Very low | 69 Ų | 69 | 59.7 Ų | 59.7 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.6 | -174 | -73.4 | 171.4 | 0 | 0 | 0 | 113.9 | N182 L184 H407 | N182-L400 PolarHBondContact O-N 3.41Å; L184-L400 HydrophobicContact CG-CD1 4.29Å; L400-H407 PolarHBondContact O-CE1 3.38Å; L400-H407 PolarHBondContact O-NE2 2.89Å |
| 401 | L | 41.3 | Very low | 46.3 | Very low | 86 Ų | 86 | 56.7 Ų | 56.7 | 45% | 0.45 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 12.4 | -172.6 | -74.3 | 160.8 | 0 | 0 | 0 | 114.6 | N182 N399 P403 | N182-L401 HydrophobicContact CB-CD1 3.75Å; N182-L401 WeakPolarHBondContact OD1-CD1 3.43Å; N399-L401 PolarHBondContact O-N 3.37Å; L401-P403 WeakPolarHBondContact O-CD 3.35Å |
| 402 | D | 45 | Very low | 45.1 | Very low | 46 Ų | 46 | 59.7 Ų | 59.7 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -65.9 | 119.6 | 167.3 | -173.8 | 9.4 | 0 | 0 | 0 | 108.2 | N286 Y404 I405 | N286-D402 PolarHBondContact ND2-OD2 2.99Å; N286-D402 VanDerWaalsContact ND2-OD2 3.08Å; D402-Y404 PolarHBondContact O-N 3.26Å; D402-I405 HydrophobicContact CB-CD1 4.01Å; D402-I405 HydrophobicContact CB-CG1 4.25Å; D402-I405 WeakPolarHBondContact O-CB 3.06Å; D402-I405 PolarHBondContact O-N 3.26Å | ||
| 403 | P | 36.3 | Very low | 44 | Very low | 115 Ų | 115 | 62.5 Ų | 62.5 | 75% | 0.747 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -1.6 | -173.8 | 24.3 | -36.1 | 0 | 0 | 0 | 115.3 | L401 | L401-P403 WeakPolarHBondContact O-CD 3.35Š|
| 404 | Y | 34.1 | Very low | 42.5 | Very low | 114 Ų | 114 | 63.6 Ų | 63.6 | 45% | 0.447 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.8 | 169.1 | -67.8 | -68.3 | 0 | 0 | 0 | 113.7 | T243 D402 | T243-Y404 HydrophobicContact CG2-CD1 3.74Å; T243-Y404 HydrophobicContact CG2-CG 4.11Å; T243-Y404 WeakPolarHBondContact CG2-O 3.19Å; D402-Y404 PolarHBondContact O-N 3.26Å |
| 405 | I | 35.2 | Very low | 41.3 | Very low | 34 Ų | 34 | 66 Ų | 66 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 117 | 166.5 | -60.4 | 169.4 | 0 | 0 | 0 | 107.7 | L242 N399 D402 H407 | L242-I405 HydrophobicContact CD2-CG1 3.71Å; N399-I405 VanDerWaalsContact O-CD1 3.32Å; N399-I405 WeakPolarHBondContact O-CD1 3.22Å; D402-I405 HydrophobicContact CB-CD1 4.01Å; D402-I405 HydrophobicContact CB-CG1 4.25Å; D402-I405 WeakPolarHBondContact O-CB 3.06Å; D402-I405 PolarHBondContact O-N 3.26Å; I405-H407 PolarHBondContact O-N 2.85Å; I405-H407 VanDerWaalsContact O-N 3.11Å |
| 406 | I | 28.7 | Very low | 40.3 | Very low | 96 Ų | 96 | 66.6 Ų | 66.6 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | trans | -76.3 | 103.6 | 176.5 | -59.5 | 175.1 | 0 | 0 | 0 | 108.3 | G408 K409 | I406-G408 PolarHBondContact O-N 2.82Å; I406-G408 VanDerWaalsContact O-N 3.14Å; I406-K409 PolarHBondContact O-N 3.17Å | ||
| 407 | H | 27.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 68 Ų | 68 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 120.5 | 164.7 | -66.6 | -85 | 0 | 0 | 0 | 108.9 | L400 I405 | L400-H407 PolarHBondContact O-CE1 3.38Å; L400-H407 PolarHBondContact O-NE2 2.89Å; I405-H407 PolarHBondContact O-N 2.85Å; I405-H407 VanDerWaalsContact O-N 3.11Å |
| 408 | G | 26.2 | Very low | 38.5 | Very low | 83 Ų | 83 | 69.2 Ų | 69.2 | 86% | 0.856 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109 | -7.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I406 | I406-G408 PolarHBondContact O-N 2.82Å; I406-G408 VanDerWaalsContact O-N 3.14Å |
| 409 | K | 27.1 | Very low | 38.4 | Very low | 134 Ų | 134 | 71.6 Ų | 71.6 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | trans | -122.8 | 67.3 | 169.8 | -68.6 | -172.8 | 177.6 | -177.6 | 0 | 111.4 | I406 | I406-K409 PolarHBondContact O-N 3.17Š| ||
| 410 | G | 25.5 | Very low | 38.9 | Very low | 55 Ų | 55 | 69.7 Ų | 69.7 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | trans | -68.7 | 156.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V412 | G410-V412 PolarHBondContact O-N 2.93Š| ||
| 411 | I | 31.6 | Very low | 39.7 | Very low | 58 Ų | 58 | 71.1 Ų | 71.1 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | trans | -67.6 | 114.8 | 174.4 | -61.4 | 171.3 | 0 | 0 | 0 | 108.8 | I237 L309 L398 L413 | I237-I411 HydrophobicContact CG2-CG2 4.46Å; L309-I411 HydrophobicContact CD2-CD1 4.33Å; L398-I411 HydrophobicContact CD1-CD1 4.17Å; I411-L413 HydrophobicContact CG2-CG 4.49Å; I411-L413 PolarHBondContact O-N 2.86Å | ||
| 412 | V | 34.4 | Very low | 41 | Very low | 63 Ų | 63 | 71.5 Ų | 71.5 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 101.9 | -178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | K238 G410 E414 | K238-V412 HydrophobicContact CB-CB 4.3Å; K238-V412 PolarHBondContact N-O 2.94Å; K238-V412 PolarHBondContact O-N 3.36Å; K238-V412 VanDerWaalsContact O-N 3.14Å; G410-V412 PolarHBondContact O-N 2.93Å; V412-E414 HydrophobicContact CG1-CG 3.89Å; V412-E414 PolarHBondContact O-N 3.22Å |
| 413 | L | 40.2 | Very low | 42.4 | Very low | 59 Ų | 59 | 69.8 Ų | 69.8 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | trans | -85.4 | 78.7 | 170.9 | -71.3 | 171.5 | 0 | 0 | 0 | 110.7 | I237 F394 I411 Y415 | I237-L413 HydrophobicContact CG1-CD2 4.03Å; F394-L413 HydrophobicContact CD1-CD1 4.13Å; F394-L413 HydrophobicContact CE1-CD1 3.63Å; F394-L413 HydrophobicContact CE1-CD2 4.2Å; F394-L413 HydrophobicContact CZ-CD1 4.43Å; I411-L413 HydrophobicContact CG2-CG 4.49Å; I411-L413 PolarHBondContact O-N 2.86Å; L413-Y415 PolarHBondContact O-N 2.95Å; L413-Y415 VanDerWaalsContact O-N 3.11Å | ||
| 414 | E | 37.3 | Very low | 44.4 | Very low | 40 Ų | 40 | 70.6 Ų | 70.6 | 19% | 0.187 | 40% | 0.399 | C | S | . | . | trans | -67.6 | 102.2 | 177.1 | -97.5 | 169.2 | -172 | 0 | 0 | 112.2 | R236 K238 V412 I416 T445 | R236-E414 HydrophobicContact CG-CB 4.32Å; K238-E414 WeakPolarHBondContact CD-OE1 3.16Å; K238-E414 WeakPolarHBondContact CD-OE2 3.31Å; K238-E414 IonicContact NZ-OE1 2.7Å; K238-E414 PolarHBondContact NZ-OE1 2.95Å; K238-E414 IonicContact NZ-OE2 3.13Å; V412-E414 HydrophobicContact CG1-CG 3.89Å; V412-E414 PolarHBondContact O-N 3.22Å; E414-I416 HydrophobicContact CB-CD1 4.12Å; E414-I416 HydrophobicContact CB-CG1 4.49Å; E414-I416 HydrophobicContact CG-CD1 4.2Å; E414-T445 VanDerWaalsContact CD-OG1 3.31Å; E414-T445 PolarHBondContact OE1-OG1 3.1Å; E414-T445 WeakPolarHBondContact OE2-CB 3.35Å; E414-T445 PolarHBondContact OE2-OG1 3.18Å | ||
| 415 | Y | 43.4 | Very low | 46.6 | Very low | 52 Ų | 52 | 69.3 Ų | 69.3 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | trans | -94.7 | 96.5 | 176.6 | -119.4 | -92.5 | 0 | 0 | 0 | 110.9 | L190 F233 L235 L392 F394 L413 L418 | L190-Y415 HydrophobicContact CD1-CE2 3.9Å; L190-Y415 HydrophobicContact CD2-CE1 4.44Å; L190-Y415 HydrophobicContact CD2-CE2 4.21Å; F233-Y415 AromaticContact CD1-CE1 3.82Å; F233-Y415 HydrophobicContact CD1-CE1 3.82Å; F233-Y415 AromaticContact CD1-CZ 3.97Å; F233-Y415 VanDerWaalsContact CD1-OH 3.32Å; F233-Y415 WeakPolarHBondContact CD1-OH 3.48Å; F233-Y415 AromaticContact CE1-CE1 4Å; F233-Y415 HydrophobicContact CE1-CE1 4Å; F233-Y415 WeakPolarHBondContact CE1-OH 3.45Å; L235-Y415 HydrophobicContact CD2-CD2 4.4Å; L235-Y415 HydrophobicContact CD2-CE2 3.75Å; L392-Y415 WeakPolarHBondContact CD1-OH 2.97Å; F394-Y415 HydrophobicContact CZ-CE2 4.38Å; L413-Y415 PolarHBondContact O-N 2.95Å; L413-Y415 VanDerWaalsContact O-N 3.11Å; Y415-L418 HydrophobicContact CD1-CD1 3.81Å; Y415-L418 HydrophobicContact CD1-CG 4.37Å; Y415-L418 HydrophobicContact CE1-CD1 4.27Å | ||
| 416 | I | 43 | Very low | 48.8 | Very low | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | trans | -115.8 | -14.1 | -170.7 | -64.5 | 170.7 | 0 | 0 | 0 | 113.3 | E414 L418 F436 T445 A447 | E414-I416 HydrophobicContact CB-CD1 4.12Å; E414-I416 HydrophobicContact CB-CG1 4.49Å; E414-I416 HydrophobicContact CG-CD1 4.2Å; I416-L418 PolarHBondContact O-N 2.7Å; I416-F436 HydrophobicContact CB-CD1 4.4Å; I416-F436 HydrophobicContact CB-CE1 3.88Å; I416-F436 HydrophobicContact CG2-CD1 4.38Å; I416-F436 HydrophobicContact CG2-CE1 3.94Å; I416-T445 HydrophobicContact CD1-CG2 3.56Å; I416-A447 HydrophobicContact CG2-CB 3.96Å | ||
| 417 | A | 41.7 | Very low | 51.2 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 26% | 0.256 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -0.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I234 | I234-A417 HydrophobicContact CB-CB 4Å; I234-A417 HydrophobicContact CD1-CB 4.16Å; I234-A417 HydrophobicContact CG1-CB 4Å |
| 418 | L | 49.3 | Very low | 53.5 | Low | 92 Ų | 92 | 59.5 Ų | 59.5 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.7 | -171.9 | -68.2 | 172.1 | 0 | 0 | 0 | 114.8 | P193 Y415 I416 | P193-L418 HydrophobicContact CB-CD2 4.47Å; P193-L418 HydrophobicContact CG-CD2 3.81Å; Y415-L418 HydrophobicContact CD1-CD1 3.81Å; Y415-L418 HydrophobicContact CD1-CG 4.37Å; Y415-L418 HydrophobicContact CE1-CD1 4.27Å; I416-L418 PolarHBondContact O-N 2.7Å |
| 419 | L | 55.8 | Low | 56.1 | Low | 61 Ų | 61 | 58.3 Ų | 58.3 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -105 | -35.5 | -171.2 | -72.2 | 167.3 | 0 | 0 | 0 | 115.2 | H510 R513 | L419-H510 HydrophobicContact CB-CB 4.38Å; L419-H510 HydrophobicContact CD1-CB 3.78Å; L419-R513 WeakPolarHBondContact O-CA 3.27Å; L419-R513 WeakPolarHBondContact O-CB 3.07Å; L419-R513 WeakPolarHBondContact O-CG 3.1Å |
| 420 | C | 62.8 | Low | 58.7 | Low | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -100.8 | 139.9 | 178.4 | -70.6 | 0 | 0 | 0 | 0 | 113.3 | C508 D509 K514 W515 | C420-C508 HydrophobicContact CB-CB 3.84Å; C420-C508 WeakPolarHBondContact CB-SG 3.1Å; C420-C508 WeakPolarHBondContact SG-CA 3.49Å; C420-C508 WeakPolarHBondContact SG-CB 3.38Å; C420-C508 CovalentContact SG-SG 2.03Å; C420-C508 PolarHBondContact SG-SG 3.34Å; C420-D509 PolarHBondContact SG-O 2.65Å; C420-D509 VanDerWaalsContact SG-O 3.37Å; C420-K514 PolarHBondContact SG-N 2.96Å; C420-K514 VanDerWaalsContact SG-N 3.44Å; C420-W515 HydrophobicContact CB-CD2 4.49Å; C420-W515 HydrophobicContact CB-CZ2 4.13Å |
| 421 | V | 68.4 | Low | 61.3 | Low | 100 Ų | 100 | 53.9 Ų | 53.9 | 61% | 0.606 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 133 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | R513 W515 | V421-R513 PolarHBondContact N-O 3Å; V421-W515 PolarHBondContact O-NE1 3.04Å |
| 422 | P | 67.8 | Low | 63.5 | Low | 94 Ų | 94 | 52.5 Ų | 52.5 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 140.4 | 178.6 | 24.6 | -34 | 0 | 0 | 0 | 112.6 | ||
| 423 | I | 74.8 | Confident | 65.5 | Low | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 124.2 | 176.8 | -61.5 | 155.2 | 0 | 0 | 0 | 108.8 | V432 Y434 A449 L506 W515 L520 | I423-V432 HydrophobicContact CB-CG1 4.14Å; I423-V432 HydrophobicContact CD1-CG1 4.22Å; I423-V432 HydrophobicContact CG2-CG1 4.03Å; I423-V432 HydrophobicContact CG2-CG2 3.76Å; I423-Y434 WeakPolarHBondContact CA-OH 3.26Å; I423-Y434 WeakPolarHBondContact CB-OH 3.49Å; I423-Y434 HydrophobicContact CD1-CE1 4.03Å; I423-Y434 PolarHBondContact N-OH 3.01Å; I423-Y434 PolarHBondContact O-OH 2.66Å; I423-A449 HydrophobicContact CD1-CB 3.45Å; I423-A449 VanDerWaalsContact CD1-CB 3.45Å; I423-L506 HydrophobicContact CD1-CD1 3.59Å; I423-L506 HydrophobicContact CG1-CD1 4.33Å; I423-W515 HydrophobicContact CD1-CD2 3.53Å; I423-W515 HydrophobicContact CD1-CE3 3.96Å; I423-W515 HydrophobicContact CD1-CG 3.83Å; I423-W515 HydrophobicContact CD1-CH2 4.37Å; I423-W515 HydrophobicContact CD1-CZ2 4Å; I423-W515 HydrophobicContact CD1-CZ3 4.34Å; I423-W515 HydrophobicContact CG1-CD2 4.06Å; I423-W515 HydrophobicContact CG1-CG 3.89Å; I423-L520 HydrophobicContact CB-CD1 4.21Å; I423-L520 HydrophobicContact CD1-CD2 4.4Å; I423-L520 HydrophobicContact CG1-CD1 4.06Å; I423-L520 HydrophobicContact CG1-CD2 3.83Å; I423-L520 HydrophobicContact CG2-CD1 4Å; I423-L520 HydrophobicContact CG2-CD2 4.12Å; I423-L520 HydrophobicContact CG2-CG 4.42Å |
| 424 | N | 78.8 | Confident | 66.9 | Low | 132 Ų | 132 | 52 Ų | 52 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 139.9 | 167.2 | -68.7 | -30.5 | 0 | 0 | 0 | 110.2 | ||
| 425 | P | 80.6 | Confident | 68.3 | Low | 87 Ų | 87 | 54.2 Ų | 54.2 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -65 | 142.9 | 177.6 | 25.9 | -33.4 | 0 | 0 | 0 | 112.1 | G430 V432 | P425-G430 WeakPolarHBondContact CB-O 3.35Å; P425-V432 HydrophobicContact CB-CG2 4.34Å |
| 426 | P | 80.5 | Confident | 68.9 | Low | 7 Ų | 7 | 52.6 Ų | 52.6 | 5% | 0.045 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.6 | 177 | -20.6 | 28.5 | 0 | 0 | 0 | 112.6 | G430 V451 P521 | P426-G430 PolarHBondContact O-N 2.62Å; P426-V451 HydrophobicContact CG-CG1 3.44Å; P426-V451 VanDerWaalsContact CG-CG1 3.44Å; P426-P521 VanDerWaalsContact CB-O 3.28Å; P426-P521 WeakPolarHBondContact CB-O 3.39Å; P426-P521 HydrophobicContact CG-CB 4.34Å; P426-P521 HydrophobicContact CG-CG 4.03Å; P426-P521 WeakPolarHBondContact CG-O 3.46Å |
| 427 | S | 79 | Confident | 69.6 | Low | 28 Ų | 28 | 56.7 Ų | 56.7 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -63.2 | 151.5 | 170.1 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | E522 A523 C524 | S427-E522 WeakPolarHBondContact CB-O 3.28Å; S427-E522 PolarHBondContact N-O 2.92Å; S427-E522 PolarHBondContact OG-O 3.33Å; S427-A523 CarbonylContact O-C 3.59Å; S427-A523 WeakPolarHBondContact OG-CA 3.49Å; S427-A523 WeakPolarHBondContact OG-CB 3.36Å; S427-C524 WeakPolarHBondContact O-CB 3.47Å; S427-C524 PolarHBondContact O-N 2.86Å |
| 428 | G | 76.2 | Confident | 70.1 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 37.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | R457 C524 | G428-R457 WeakPolarHBondContact O-CD 3.18Å; G428-C524 WeakPolarHBondContact O-CB 3.49Å |
| 429 | N | 79.7 | Confident | 70.5 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 36.6 | 175.9 | -42.1 | -36.7 | 0 | 0 | 0 | 114.6 | P454 | N429-P454 HydrophobicContact CB-CG 3.9Å; N429-P454 WeakPolarHBondContact O-CD 3.27Å |
| 430 | G | 81.8 | Confident | 70.4 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | trans | -70.3 | 147.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P425 P426 F452 | P425-G430 WeakPolarHBondContact CB-O 3.35Å; P426-G430 PolarHBondContact O-N 2.62Å; G430-F452 CarbonylContact C-O 2.83Å; G430-F452 WeakPolarHBondContact CA-O 3.17Å | ||
| 431 | V | 79.6 | Confident | 69.8 | Low | 89 Ų | 89 | 63.6 Ų | 63.6 | 54% | 0.539 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.6 | 179.5 | 180 | 0 | 0 | 0 | 0 | 109.7 | V451 F452 | V431-V451 CarbonylContact O-C 3.51Å; V431-V451 WeakPolarHBondContact O-CA 3.26Å; V431-F452 PolarHBondContact N-O 3.03Å; V431-F452 PolarHBondContact O-N 3.23Å |
| 432 | V | 79.5 | Confident | 69.3 | Low | 28 Ų | 28 | 60.8 Ų | 60.8 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.5 | 177.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | I423 P425 Y434 A449 V451 | I423-V432 HydrophobicContact CB-CG1 4.14Å; I423-V432 HydrophobicContact CD1-CG1 4.22Å; I423-V432 HydrophobicContact CG2-CG1 4.03Å; I423-V432 HydrophobicContact CG2-CG2 3.76Å; P425-V432 HydrophobicContact CB-CG2 4.34Å; V432-Y434 HydrophobicContact CB-CE2 4.42Å; V432-Y434 HydrophobicContact CG1-CD2 4.24Å; V432-Y434 HydrophobicContact CG1-CE1 4.39Å; V432-Y434 HydrophobicContact CG1-CE2 3.72Å; V432-A449 HydrophobicContact CG1-CB 4.2Å; V432-V451 HydrophobicContact CG1-CG2 4.31Å; V432-V451 HydrophobicContact CG2-CG1 4.06Å; V432-V451 HydrophobicContact CG2-CG2 4.15Å |
| 433 | D | 74.9 | Confident | 68.1 | Low | 59 Ų | 59 | 60.1 Ų | 60.1 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.8 | 176.6 | -176.1 | 11.2 | 0 | 0 | 0 | 110.3 | R435 A449 E450 F452 | D433-R435 IonicContact OD2-CZ 2.76Å; D433-R435 IonicContact OD2-NE 3.53Å; D433-R435 PolarHBondContact OD2-NE 2.93Å; D433-R435 IonicContact OD2-NH2 3.14Å; D433-R435 PolarHBondContact OD2-NH2 2.94Å; D433-A449 CarbonylContact O-C 3.54Å; D433-A449 VanDerWaalsContact O-CA 3.23Å; D433-A449 WeakPolarHBondContact O-CA 3.31Å; D433-E450 PolarHBondContact N-O 3.34Å; D433-E450 PolarHBondContact O-N 3.25Å; D433-F452 HydrophobicContact CB-CE2 4.25Å |
| 434 | Y | 70.6 | Confident | 66.7 | Low | 54 Ų | 54 | 66 Ų | 66 | 21% | 0.212 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.7 | -175.3 | -67.4 | -91.5 | 0 | 0 | 0 | 111 | I423 V432 A449 W515 | I423-Y434 WeakPolarHBondContact CA-OH 3.26Å; I423-Y434 WeakPolarHBondContact CB-OH 3.49Å; I423-Y434 HydrophobicContact CD1-CE1 4.03Å; I423-Y434 PolarHBondContact N-OH 3.01Å; I423-Y434 PolarHBondContact O-OH 2.66Å; V432-Y434 HydrophobicContact CB-CE2 4.42Å; V432-Y434 HydrophobicContact CG1-CD2 4.24Å; V432-Y434 HydrophobicContact CG1-CE1 4.39Å; V432-Y434 HydrophobicContact CG1-CE2 3.72Å; Y434-A449 HydrophobicContact CD1-CB 4.03Å; Y434-A449 HydrophobicContact CE1-CB 4.25Å; Y434-W515 AromaticContact CD1-CH2 3.98Å; Y434-W515 HydrophobicContact CD1-CH2 3.98Å; Y434-W515 AromaticContact CD1-CZ2 3.97Å; Y434-W515 HydrophobicContact CD1-CZ2 3.97Å; Y434-W515 HydrophobicContact CE1-CH2 4.14Å; Y434-W515 AromaticContact CE1-CZ2 3.71Å; Y434-W515 HydrophobicContact CE1-CZ2 3.71Å |
| 435 | R | 65.9 | Low | 65.3 | Low | 86 Ų | 86 | 60.7 Ų | 60.7 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 164.5 | -172.5 | -62.8 | -178.2 | 178.6 | 179.5 | 3 | 111.5 | D433 Y448 E450 | D433-R435 IonicContact OD2-CZ 2.76Å; D433-R435 IonicContact OD2-NE 3.53Å; D433-R435 PolarHBondContact OD2-NE 2.93Å; D433-R435 IonicContact OD2-NH2 3.14Å; D433-R435 PolarHBondContact OD2-NH2 2.94Å; R435-Y448 CarbonylContact C-O 3.49Å; R435-Y448 HydrophobicContact CB-CD1 3.89Å; R435-Y448 HydrophobicContact CB-CD2 4.12Å; R435-Y448 HydrophobicContact CB-CE1 3.39Å; R435-Y448 HydrophobicContact CB-CE2 3.71Å; R435-Y448 HydrophobicContact CB-CG 4.24Å; R435-Y448 WeakPolarHBondContact CD-OH 3.28Å; R435-Y448 HydrophobicContact CG-CE2 4.38Å; R435-Y448 PolarHBondContact N-O 2.81Å; R435-Y448 WeakPolarHBondContact O-CD1 3.21Å; R435-Y448 PolarHBondContact O-N 3.31Å; R435-E450 WeakPolarHBondContact CD-OE1 3.18Å; R435-E450 IonicContact CZ-OE1 2.62Å; R435-E450 IonicContact CZ-OE2 2.74Å; R435-E450 IonicContact NE-OE1 2.61Å; R435-E450 IonicContact NE-OE2 2.75Å; R435-E450 IonicContact NH1-OE1 3.76Å; R435-E450 PolarHBondContact NH1-OE1 3.42Å; R435-E450 IonicContact NH1-OE2 3.5Å; R435-E450 PolarHBondContact NH1-OE2 2.86Å; R435-E450 IonicContact NH2-OE2 3.79Å |
| 436 | F | 57.1 | Low | 64.3 | Low | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 123.9 | -179 | -62.9 | -99.9 | 0 | 0 | 0 | 109.7 | I234 R236 I382 I416 T445 F446 A447 | I234-F436 HydrophobicContact CB-CE2 4.34Å; I234-F436 HydrophobicContact CB-CZ 4.29Å; I234-F436 HydrophobicContact CD1-CE2 4.25Å; I234-F436 HydrophobicContact CD1-CZ 4.18Å; I234-F436 HydrophobicContact CG2-CE2 3.73Å; I234-F436 HydrophobicContact CG2-CZ 4.16Å; R236-F436 PolarHBondContact NH1-O 3.43Å; R236-F436 PolarHBondContact NH2-O 2.84Å; I382-F436 HydrophobicContact CD1-CB 4.3Å; I382-F436 HydrophobicContact CD1-CD2 3.87Å; I382-F436 HydrophobicContact CG1-CD2 3.96Å; I382-F436 HydrophobicContact CG2-CD2 4.13Å; I382-F436 HydrophobicContact CG2-CE2 4.17Å; I416-F436 HydrophobicContact CB-CD1 4.4Å; I416-F436 HydrophobicContact CB-CE1 3.88Å; I416-F436 HydrophobicContact CG2-CD1 4.38Å; I416-F436 HydrophobicContact CG2-CE1 3.94Å; F436-T445 HydrophobicContact CB-CG2 4.05Å; F436-T445 HydrophobicContact CD1-CG2 4.16Å; F436-F446 WeakPolarHBondContact CA-O 3.4Å; F436-A447 HydrophobicContact CD1-CB 3.77Å; F436-A447 HydrophobicContact CE1-CB 3.57Å; F436-A447 HydrophobicContact CZ-CB 4.3Å |
| 437 | R | 57 | Low | 63.6 | Low | 115 Ų | 115 | 59.9 Ų | 59.9 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.8 | 178.3 | -157.7 | 163.5 | -179.3 | 172.9 | -1.8 | 108.3 | T445 F446 Y448 | R437-T445 WeakPolarHBondContact O-CA 3.18Å; R437-F446 HydrophobicContact CB-CD2 4.32Å; R437-F446 HydrophobicContact CB-CE1 4.01Å; R437-F446 HydrophobicContact CB-CE2 3.81Å; R437-F446 HydrophobicContact CB-CZ 3.65Å; R437-F446 HydrophobicContact CG-CE1 4.42Å; R437-F446 HydrophobicContact CG-CZ 4.07Å; R437-F446 PolarHBondContact N-O 3.41Å; R437-F446 WeakPolarHBondContact O-CD1 3.25Å; R437-F446 PolarHBondContact O-N 3.02Å; R437-Y448 HydrophobicContact CB-CD1 3.94Å; R437-Y448 HydrophobicContact CB-CE1 3.7Å |
| 438 | V | 52.7 | Low | 63.4 | Low | 44 Ų | 44 | 60.4 Ų | 60.4 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.9 | 161.9 | -170.7 | 0 | 0 | 0 | 0 | 106.1 | R236 Q440 S443 | R236-V438 VanDerWaalsContact NH1-CG2 3.34Å; V438-Q440 PolarHBondContact O-N 3.31Å; V438-S443 WeakPolarHBondContact CG1-O 3.27Å |
| 439 | N | 57.1 | Low | 63.6 | Low | 28 Ų | 28 | 59.5 Ų | 59.5 | 15% | 0.15 | 30% | 0.297 | C | S | . | . | trans | -73.4 | 110.1 | 166.1 | -175.2 | 5.4 | 0 | 0 | 0 | 108.4 | Q441 T442 S443 H444 F446 | N439-Q441 PolarHBondContact O-N 2.76Å; N439-Q441 VanDerWaalsContact O-N 3.09Å; N439-Q441 PolarHBondContact OD1-N 2.78Å; N439-Q441 VanDerWaalsContact OD1-N 3.17Å; N439-T442 WeakPolarHBondContact CB-OG1 3.03Å; N439-T442 WeakPolarHBondContact ND2-CG2 3.4Å; N439-T442 PolarHBondContact ND2-OG1 3.48Å; N439-T442 PolarHBondContact O-N 3.15Å; N439-S443 WeakPolarHBondContact O-CA 3.48Å; N439-S443 PolarHBondContact O-N 3.27Å; N439-H444 PolarHBondContact N-O 3.11Å; N439-F446 HydrophobicContact CB-CE1 4.29Å | ||
| 440 | Q | 54.3 | Low | 63.7 | Low | 195 Ų | 195 | 58 Ų | 58 | 91% | 0.911 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.7 | 179 | -70.2 | 177.4 | -23.2 | 0 | 0 | 113 | V438 | V438-Q440 PolarHBondContact O-N 3.31Š|
| 441 | Q | 50.8 | Low | 63.9 | Low | 80 Ų | 80 | 57.6 Ų | 57.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -38.9 | 179.2 | -68.7 | 178.5 | -44.1 | 0 | 0 | 113.4 | N439 Y868 T1505 | N439-Q441 PolarHBondContact O-N 2.76Å; N439-Q441 VanDerWaalsContact O-N 3.09Å; N439-Q441 PolarHBondContact OD1-N 2.78Å; N439-Q441 VanDerWaalsContact OD1-N 3.17Å; Q441-Y868 HydrophobicContact CB-CE1 4.39Å; Q441-Y868 HydrophobicContact CG-CE1 4.44Å; Q441-Y868 PolarHBondContact O-OH 2.75Å; Q441-T1505 PolarHBondContact OE1-OG1 3Å |
| 442 | T | 56.7 | Low | 64.2 | Low | 40 Ų | 40 | 56.8 Ų | 56.8 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 0.9 | -171.6 | 65 | 0 | 0 | 0 | 0 | 114.1 | N439 H444 Y868 | N439-T442 WeakPolarHBondContact CB-OG1 3.03Å; N439-T442 WeakPolarHBondContact ND2-CG2 3.4Å; N439-T442 PolarHBondContact ND2-OG1 3.48Å; N439-T442 PolarHBondContact O-N 3.15Å; T442-H444 PolarHBondContact O-N 3.27Å; T442-H444 PolarHBondContact OG1-CD2 3.27Å; T442-Y868 HydrophobicContact CG2-CE2 4.41Å |
| 443 | S | 42.3 | Very low | 64.6 | Low | 81 Ų | 81 | 56.2 Ų | 56.2 | 57% | 0.566 | 27% | 0.27 | S | S | * | . | trans | 59.7 | -17.5 | -172 | 79.5 | 0 | 0 | 0 | 0 | 117.1 | K238 V438 N439 T445 | K238-S443 PolarHBondContact NZ-O 3.31Å; V438-S443 WeakPolarHBondContact CG1-O 3.27Å; N439-S443 WeakPolarHBondContact O-CA 3.48Å; N439-S443 PolarHBondContact O-N 3.27Å; S443-T445 PolarHBondContact O-N 3.46Å | ||
| 444 | H | 46.7 | Very low | 65 | Low | 132 Ų | 132 | 54.9 Ų | 54.9 | 61% | 0.611 | 27% | 0.265 | S | S | * | . | trans | -54.8 | 130.5 | 174.5 | -60.7 | -48 | 0 | 0 | 0 | 111.8 | N439 T442 | N439-H444 PolarHBondContact N-O 3.11Å; T442-H444 PolarHBondContact O-N 3.27Å; T442-H444 PolarHBondContact OG1-CD2 3.27Å | ||
| 445 | T | 47.9 | Very low | 65.5 | Low | 20 Ų | 20 | 57 Ų | 57 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.9 | 165.7 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | R236 K238 E414 I416 F436 R437 S443 | R236-T445 VanDerWaalsContact NH1-CG2 3.31Å; K238-T445 PolarHBondContact NZ-OG1 3.3Å; E414-T445 VanDerWaalsContact CD-OG1 3.31Å; E414-T445 PolarHBondContact OE1-OG1 3.1Å; E414-T445 WeakPolarHBondContact OE2-CB 3.35Å; E414-T445 PolarHBondContact OE2-OG1 3.18Å; I416-T445 HydrophobicContact CD1-CG2 3.56Å; F436-T445 HydrophobicContact CB-CG2 4.05Å; F436-T445 HydrophobicContact CD1-CG2 4.16Å; R437-T445 WeakPolarHBondContact O-CA 3.18Å; S443-T445 PolarHBondContact O-N 3.46Å |
| 446 | F | 60.2 | Low | 66.2 | Low | 68 Ų | 68 | 56.6 Ų | 56.6 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.3 | 166.7 | 60.4 | -91.2 | 0 | 0 | 0 | 111 | F436 R437 N439 Y448 I507 | F436-F446 WeakPolarHBondContact CA-O 3.4Å; R437-F446 HydrophobicContact CB-CD2 4.32Å; R437-F446 HydrophobicContact CB-CE1 4.01Å; R437-F446 HydrophobicContact CB-CE2 3.81Å; R437-F446 HydrophobicContact CB-CZ 3.65Å; R437-F446 HydrophobicContact CG-CE1 4.42Å; R437-F446 HydrophobicContact CG-CZ 4.07Å; R437-F446 PolarHBondContact N-O 3.41Å; R437-F446 WeakPolarHBondContact O-CD1 3.25Å; R437-F446 PolarHBondContact O-N 3.02Å; N439-F446 HydrophobicContact CB-CE1 4.29Å; F446-Y448 HydrophobicContact CE2-CD1 4.47Å; F446-I507 HydrophobicContact CD2-CG2 3.91Å; F446-I507 HydrophobicContact CE2-CD1 4.29Å; F446-I507 HydrophobicContact CE2-CG1 4.45Å; F446-I507 HydrophobicContact CE2-CG2 4.5Å |
| 447 | A | 66.1 | Low | 67.5 | Low | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I416 F436 C508 | I416-A447 HydrophobicContact CG2-CB 3.96Å; F436-A447 HydrophobicContact CD1-CB 3.77Å; F436-A447 HydrophobicContact CE1-CB 3.57Å; F436-A447 HydrophobicContact CZ-CB 4.3Å; A447-C508 HydrophobicContact CB-CB 3.99Å; A447-C508 PolarHBondContact O-N 2.84Å |
| 448 | Y | 74.4 | Confident | 68.8 | Low | 40 Ų | 40 | 55.4 Ų | 55.4 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.9 | 178.3 | 76.1 | -86.2 | 0 | 0 | 0 | 109.8 | R435 R437 F446 E450 T505 L506 | R435-Y448 CarbonylContact C-O 3.49Å; R435-Y448 HydrophobicContact CB-CD1 3.89Å; R435-Y448 HydrophobicContact CB-CD2 4.12Å; R435-Y448 HydrophobicContact CB-CE1 3.39Å; R435-Y448 HydrophobicContact CB-CE2 3.71Å; R435-Y448 HydrophobicContact CB-CG 4.24Å; R435-Y448 WeakPolarHBondContact CD-OH 3.28Å; R435-Y448 HydrophobicContact CG-CE2 4.38Å; R435-Y448 PolarHBondContact N-O 2.81Å; R435-Y448 WeakPolarHBondContact O-CD1 3.21Å; R435-Y448 PolarHBondContact O-N 3.31Å; R437-Y448 HydrophobicContact CB-CD1 3.94Å; R437-Y448 HydrophobicContact CB-CE1 3.7Å; F446-Y448 HydrophobicContact CE2-CD1 4.47Å; Y448-E450 HydrophobicContact CD2-CG 4.27Å; Y448-E450 HydrophobicContact CE2-CG 4Å; Y448-E450 VanDerWaalsContact CE2-OE1 3.31Å; Y448-E450 WeakPolarHBondContact CE2-OE1 3.05Å; Y448-T505 HydrophobicContact CD2-CG2 3.61Å; Y448-T505 HydrophobicContact CE2-CG2 4.23Å; Y448-L506 CarbonylContact C-O 3.59Å; Y448-L506 WeakPolarHBondContact CA-O 3.48Å; Y448-L506 VanDerWaalsContact CB-O 3.23Å; Y448-L506 WeakPolarHBondContact CB-O 3.03Å |
| 449 | A | 80.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | I423 V432 D433 Y434 T505 L506 W515 | I423-A449 HydrophobicContact CD1-CB 3.45Å; I423-A449 VanDerWaalsContact CD1-CB 3.45Å; V432-A449 HydrophobicContact CG1-CB 4.2Å; D433-A449 CarbonylContact O-C 3.54Å; D433-A449 VanDerWaalsContact O-CA 3.23Å; D433-A449 WeakPolarHBondContact O-CA 3.31Å; Y434-A449 HydrophobicContact CD1-CB 4.03Å; Y434-A449 HydrophobicContact CE1-CB 4.25Å; A449-T505 CarbonylContact O-C 3.59Å; A449-T505 WeakPolarHBondContact O-CA 3.44Å; A449-L506 HydrophobicContact CB-CB 4.4Å; A449-L506 PolarHBondContact N-O 2.89Å; A449-L506 PolarHBondContact O-N 3.01Å; A449-W515 HydrophobicContact CB-CE3 4.18Å; A449-W515 HydrophobicContact CB-CH2 3.79Å; A449-W515 HydrophobicContact CB-CZ2 4.49Å; A449-W515 HydrophobicContact CB-CZ3 3.61Å |
| 450 | E | 82.9 | Confident | 71.4 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.3 | 175.2 | -67.5 | 178.3 | -161.8 | 0 | 0 | 108.5 | D433 R435 Y448 F452 T505 | D433-E450 PolarHBondContact N-O 3.34Å; D433-E450 PolarHBondContact O-N 3.25Å; R435-E450 WeakPolarHBondContact CD-OE1 3.18Å; R435-E450 IonicContact CZ-OE1 2.62Å; R435-E450 IonicContact CZ-OE2 2.74Å; R435-E450 IonicContact NE-OE1 2.61Å; R435-E450 IonicContact NE-OE2 2.75Å; R435-E450 IonicContact NH1-OE1 3.76Å; R435-E450 PolarHBondContact NH1-OE1 3.42Å; R435-E450 IonicContact NH1-OE2 3.5Å; R435-E450 PolarHBondContact NH1-OE2 2.86Å; R435-E450 IonicContact NH2-OE2 3.79Å; Y448-E450 HydrophobicContact CD2-CG 4.27Å; Y448-E450 HydrophobicContact CE2-CG 4Å; Y448-E450 VanDerWaalsContact CE2-OE1 3.31Å; Y448-E450 WeakPolarHBondContact CE2-OE1 3.05Å; E450-F452 HydrophobicContact CB-CD2 4.37Å; E450-F452 HydrophobicContact CB-CE2 3.48Å; E450-F452 VanDerWaalsContact CB-CE2 3.48Å; E450-F452 HydrophobicContact CB-CZ 3.72Å; E450-F452 VanDerWaalsContact OE2-CZ 3.25Å; E450-F452 WeakPolarHBondContact OE2-CZ 3.46Å; E450-T505 HydrophobicContact CG-CG2 4.09Å |
| 451 | V | 84.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.1 | 179.1 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | P426 V431 V432 H503 I504 L506 P521 | P426-V451 HydrophobicContact CG-CG1 3.44Å; P426-V451 VanDerWaalsContact CG-CG1 3.44Å; V431-V451 CarbonylContact O-C 3.51Å; V431-V451 WeakPolarHBondContact O-CA 3.26Å; V432-V451 HydrophobicContact CG1-CG2 4.31Å; V432-V451 HydrophobicContact CG2-CG1 4.06Å; V432-V451 HydrophobicContact CG2-CG2 4.15Å; V451-H503 CarbonylContact O-C 3.52Å; V451-H503 VanDerWaalsContact O-CA 3.26Å; V451-H503 WeakPolarHBondContact O-CA 3.36Å; V451-H503 PolarHBondContact O-CD2 3.08Å; V451-I504 HydrophobicContact CB-CG2 3.92Å; V451-I504 HydrophobicContact CG2-CG2 4.49Å; V451-I504 PolarHBondContact N-O 3.21Å; V451-I504 PolarHBondContact O-N 3.16Å; V451-L506 HydrophobicContact CG2-CD1 3.65Å; V451-L506 HydrophobicContact CG2-CG 4.14Å; V451-P521 HydrophobicContact CB-CG 4.23Å; V451-P521 HydrophobicContact CG1-CG 3.74Å |
| 452 | F | 86.9 | Confident | 73.1 | Confident | 73 Ų | 73 | 42 Ų | 42 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.2 | -172.5 | -59.6 | -88.2 | 0 | 0 | 0 | 111.7 | G430 V431 D433 E450 R502 H503 | G430-F452 CarbonylContact C-O 2.83Å; G430-F452 WeakPolarHBondContact CA-O 3.17Å; V431-F452 PolarHBondContact N-O 3.03Å; V431-F452 PolarHBondContact O-N 3.23Å; D433-F452 HydrophobicContact CB-CE2 4.25Å; E450-F452 HydrophobicContact CB-CD2 4.37Å; E450-F452 HydrophobicContact CB-CE2 3.48Å; E450-F452 VanDerWaalsContact CB-CE2 3.48Å; E450-F452 HydrophobicContact CB-CZ 3.72Å; E450-F452 VanDerWaalsContact OE2-CZ 3.25Å; E450-F452 WeakPolarHBondContact OE2-CZ 3.46Å; F452-R502 CarbonylContact C-O 3.5Å; F452-R502 WeakPolarHBondContact CA-O 3.35Å; F452-H503 HydrophobicContact CD1-CB 3.98Å; F452-H503 AromaticContact CD1-CD2 3.85Å; F452-H503 HydrophobicContact CE1-CB 4.23Å; F452-H503 AromaticContact CE1-CD2 3.6Å; F452-H503 AromaticContact CE1-CG 3.92Å; F452-H503 AromaticContact CZ-CD2 3.96Å |
| 453 | C | 86.7 | Confident | 73.3 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | trans | -105.5 | 154.1 | 163.6 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | R457 L459 R502 C524 | C453-R457 HydrophobicContact CB-CB 4.32Å; C453-L459 WeakPolarHBondContact SG-CD2 3.39Å; C453-R502 PolarHBondContact N-O 2.03Å; C453-C524 WeakPolarHBondContact CA-SG 3.42Å; C453-C524 HydrophobicContact CB-CB 3.8Å; C453-C524 WeakPolarHBondContact CB-SG 3.41Å; C453-C524 VanDerWaalsContact SG-CA 3.54Å; C453-C524 WeakPolarHBondContact SG-CB 3.37Å; C453-C524 CovalentContact SG-SG 2.04Å; C453-C524 PolarHBondContact SG-SG 3.33Å | ||
| 454 | P | 83.4 | Confident | 73.8 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | trans | -55.2 | 159.5 | 170.6 | -28.4 | 36.9 | 0 | 0 | 0 | 114.8 | N429 D456 R457 | N429-P454 HydrophobicContact CB-CG 3.9Å; N429-P454 WeakPolarHBondContact O-CD 3.27Å; P454-D456 WeakPolarHBondContact CB-OD1 3.46Å; P454-D456 PolarHBondContact O-N 3.33Å; P454-R457 PolarHBondContact O-N 3.06Å | ||
| 455 | S | 81.2 | Confident | 74 | Confident | 99 Ų | 99 | 39 Ų | 39 | 69% | 0.692 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.1 | -177.6 | -68.7 | 0 | 0 | 0 | 0 | 115.7 | R502 | S455-R502 PolarHBondContact O-NH1 2.99Å; S455-R502 PolarHBondContact O-NH2 2.76Å |
| 456 | D | 81.2 | Confident | 74 | Confident | 78 Ų | 78 | 42.3 Ų | 42.3 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.6 | 169 | 56.6 | -60 | 0 | 0 | 0 | 113.1 | P454 | P454-D456 WeakPolarHBondContact CB-OD1 3.46Å; P454-D456 PolarHBondContact O-N 3.33Å |
| 457 | R | 83.5 | Confident | 73.1 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | trans | -121.6 | 169.6 | -168.2 | -74.2 | 162.6 | -172.7 | -88.6 | -5.2 | 113.5 | G428 C453 P454 R502 C524 L525 | G428-R457 WeakPolarHBondContact O-CD 3.18Å; C453-R457 HydrophobicContact CB-CB 4.32Å; P454-R457 PolarHBondContact O-N 3.06Å; R457-R502 WeakPolarHBondContact O-CG 3.36Å; R457-R502 PolarHBondContact O-NE 3.12Å; R457-C524 HydrophobicContact CB-CB 3.94Å; R457-C524 WeakPolarHBondContact CD-O 3.39Å; R457-C524 HydrophobicContact CG-CB 4.41Å; R457-C524 PolarHBondContact NH1-O 3.2Å; R457-L525 CarbonylContact C-O 3.42Å; R457-L525 VanDerWaalsContact CA-O 3.24Å; R457-L525 WeakPolarHBondContact CA-O 3.38Å; R457-L525 WeakPolarHBondContact CB-O 3.18Å | ||
| 458 | W | 83.6 | Confident | 71.7 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 20% | 0.197 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.9 | -179.6 | -53.9 | 93.3 | 0 | 0 | 0 | 109.3 | R500 R501 R502 C524 L525 L530 | W458-R500 HydrophobicContact CD2-CB 3.92Å; W458-R500 HydrophobicContact CE3-CB 3.5Å; W458-R500 VanDerWaalsContact CE3-CB 3.5Å; W458-R500 HydrophobicContact CH2-CB 4.26Å; W458-R500 HydrophobicContact CZ3-CB 3.67Å; W458-R501 CarbonylContact C-O 3.55Å; W458-R501 WeakPolarHBondContact CA-O 3.09Å; W458-R502 HydrophobicContact CD2-CG 4.22Å; W458-R502 HydrophobicContact CE3-CG 3.46Å; W458-R502 VanDerWaalsContact CE3-CG 3.46Å; W458-R502 VanDerWaalsContact CZ2-NH2 3.26Å; W458-R502 HydrophobicContact CZ3-CG 3.68Å; W458-C524 CarbonylContact O-C 3.56Å; W458-C524 WeakPolarHBondContact O-CA 3.49Å; W458-L525 PolarHBondContact N-O 3.36Å; W458-L525 PolarHBondContact O-N 3.45Å; W458-L530 HydrophobicContact CB-CD2 3.93Å; W458-L530 HydrophobicContact CG-CD2 3.86Å |
| 459 | L | 84.1 | Confident | 69.8 | Low | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137 | 169.7 | -66.3 | 162.7 | 0 | 0 | 0 | 108.9 | C453 R501 H503 I504 P521 | C453-L459 WeakPolarHBondContact SG-CD2 3.39Å; L459-R501 HydrophobicContact CD1-CB 4.33Å; L459-R501 PolarHBondContact N-O 2.92Å; L459-H503 VanDerWaalsContact CD1-C 3.47Å; L459-I504 HydrophobicContact CD1-CB 3.91Å; L459-I504 HydrophobicContact CD1-CG2 3.76Å; L459-I504 HydrophobicContact CD2-CG2 4.36Å; L459-P521 HydrophobicContact CD2-CB 3.51Å; L459-P521 HydrophobicContact CD2-CG 3.72Å |
| 460 | E | 81 | Confident | 67.3 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -47.6 | 132.7 | 169.2 | -171.4 | -165.7 | 150.1 | 0 | 0 | 111.3 | M462 R519 A523 L525 F533 | E460-M462 WeakPolarHBondContact O-CG 3.49Å; E460-M462 PolarHBondContact O-N 3.09Å; E460-R519 IonicContact OE1-CZ 3.98Å; E460-R519 IonicContact OE1-NE 3.86Å; E460-R519 IonicContact OE1-NH2 3.38Å; E460-R519 PolarHBondContact OE1-NH2 3.49Å; E460-A523 PolarHBondContact N-O 3.34Å; E460-L525 HydrophobicContact CB-CD1 4.36Å; E460-L525 HydrophobicContact CG-CD1 4.33Å; E460-F533 HydrophobicContact CG-CZ 4.2Å |
| 461 | P | 73.7 | Confident | 64.9 | Low | 10 Ų | 10 | 63.2 Ų | 63.2 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 120.7 | 176.2 | -23.4 | 34 | 0 | 0 | 0 | 111.8 | W497 L498 L530 F533 | P461-W497 HydrophobicContact CB-CE3 4.14Å; P461-W497 HydrophobicContact CB-CZ3 4.38Å; P461-W497 WeakPolarHBondContact CB-O 3.44Å; P461-L498 HydrophobicContact CB-CD2 4.4Å; P461-L530 HydrophobicContact CG-CD1 3.41Å; P461-L530 VanDerWaalsContact CG-CD1 3.41Å; P461-F533 HydrophobicContact CB-CD1 4.45Å; P461-F533 HydrophobicContact CB-CE1 4Å; P461-F533 HydrophobicContact CG-CD1 3.93Å; P461-F533 HydrophobicContact CG-CE1 3.92Å |
| 462 | M | 66.6 | Low | 62.4 | Low | 22 Ų | 22 | 67.5 Ų | 67.5 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | trans | -107.5 | 93.1 | -169.9 | -40.3 | -154.4 | 95 | 0 | 0 | 111.5 | E460 R519 P521 R851 | E460-M462 WeakPolarHBondContact O-CG 3.49Å; E460-M462 PolarHBondContact O-N 3.09Å; M462-R519 HydrophobicContact CE-CB 4.37Å; M462-R519 HydrophobicContact CE-CG 3.64Å; M462-R519 WeakPolarHBondContact CE-O 3.45Å; M462-P521 HydrophobicContact CE-CB 4.3Å; M462-P521 HydrophobicContact SD-CB 4.2Å; M462-R851 PolarHBondContact SD-NH1 3.41Å | ||
| 463 | D | 60.7 | Low | 60 | Low | 28 Ų | 28 | 71.9 Ų | 71.9 | 15% | 0.15 | 39% | 0.389 | C | S | . | . | trans | -58.2 | 128.2 | 171.1 | -165 | -34.2 | 0 | 0 | 0 | 110 | D465 L466 W497 | D463-D465 PolarHBondContact OD1-N 3.33Å; D463-L466 HydrophobicContact CB-CB 4.48Å; D463-L466 HydrophobicContact CB-CD1 3.98Å; D463-L466 HydrophobicContact CB-CG 4.42Å; D463-W497 HydrophobicContact CB-CD2 4.35Å; D463-W497 HydrophobicContact CB-CE3 4.26Å; D463-W497 HydrophobicContact CB-CH2 4.07Å; D463-W497 HydrophobicContact CB-CZ2 4.18Å; D463-W497 HydrophobicContact CB-CZ3 4.11Å; D463-W497 VanDerWaalsContact OD2-CZ2 3.27Å; D463-W497 WeakPolarHBondContact OD2-CZ2 3.31Å | ||
| 464 | P | 53.6 | Low | 57.2 | Low | 43 Ų | 43 | 76.5 Ų | 76.5 | 28% | 0.279 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -76.1 | -19.7 | 177.3 | 30.2 | -35.8 | 0 | 0 | 0 | 115.1 | W496 | P464-W496 HydrophobicContact CG-CZ2 4.49Š|
| 465 | D | 50.2 | Low | 54.7 | Low | 119 Ų | 119 | 80.4 Ų | 80.4 | 64% | 0.636 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -119.1 | 7.8 | -159.4 | -60.6 | -28.2 | 0 | 0 | 0 | 114.3 | D463 D467 | D463-D465 PolarHBondContact OD1-N 3.33Å; D465-D467 PolarHBondContact O-N 2.88Å |
| 466 | L | 47.7 | Very low | 52.3 | Low | 89 Ų | 89 | 80.4 Ų | 80.4 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -80.9 | -8.6 | -173 | -105.6 | 171.9 | 0 | 0 | 0 | 116.1 | D463 E468 I469 | D463-L466 HydrophobicContact CB-CB 4.48Å; D463-L466 HydrophobicContact CB-CD1 3.98Å; D463-L466 HydrophobicContact CB-CG 4.42Å; L466-E468 VanDerWaalsContact C-N 3.33Å; L466-E468 PolarHBondContact O-N 3.3Å; L466-I469 HydrophobicContact CD2-CD1 4.36Å |
| 467 | D | 41.7 | Very low | 49.9 | Very low | 58 Ų | 58 | 81.1 Ų | 81.1 | 31% | 0.31 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -81.1 | -3.3 | -167.1 | -62.9 | -9 | 0 | 0 | 0 | 115.2 | D465 P850 R851 S852 | D465-D467 PolarHBondContact O-N 2.88Å; D467-P850 HydrophobicContact CB-CG 4.33Å; D467-P850 VanDerWaalsContact CG-CB 3.5Å; D467-P850 WeakPolarHBondContact OD1-CB 3.35Å; D467-P850 WeakPolarHBondContact OD1-CG 3.26Å; D467-P850 WeakPolarHBondContact OD2-CB 3.39Å; D467-P850 WeakPolarHBondContact OD2-CG 3.19Å; D467-R851 VanDerWaalsContact OD2-CA 3.28Å; D467-R851 WeakPolarHBondContact OD2-CA 3.47Å; D467-R851 PolarHBondContact OD2-N 2.82Å; D467-S852 PolarHBondContact OD2-N 3.06Å |
| 468 | E | 37 | Very low | 47.3 | Very low | 185 Ų | 185 | 89.4 Ų | 89.4 | 86% | 0.864 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -103.5 | -3.7 | -173.5 | -154.7 | 167.5 | -139.5 | 0 | 0 | 113.6 | L466 N470 | L466-E468 VanDerWaalsContact C-N 3.33Å; L466-E468 PolarHBondContact O-N 3.3Å; E468-N470 PolarHBondContact O-N 3.05Å |
| 469 | I | 34 | Very low | 44.7 | Very low | 118 Ų | 118 | 91.8 Ų | 91.8 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | trans | -91.9 | 78.9 | -177.4 | -49.8 | -177.7 | 0 | 0 | 0 | 111.1 | L466 P471 | L466-I469 HydrophobicContact CD2-CD1 4.36Å; I469-P471 WeakPolarHBondContact O-CD 3.43Å | ||
| 470 | N | 29.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 95.5 Ų | 95.5 | 59% | 0.594 | 55% | 0.55 | S | S | * | * | trans | -74 | 118.3 | 172.1 | -161.3 | -7.1 | 0 | 0 | 0 | 109.9 | E468 S472 Q473 | E468-N470 PolarHBondContact O-N 3.05Å; N470-S472 PolarHBondContact O-N 3.38Å; N470-Q473 PolarHBondContact O-N 2.92Å | ||
| 471 | P | 32 | Very low | 40 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -66.4 | -8.9 | -167.2 | 23.5 | -34.4 | 0 | 0 | 0 | 115.6 | I469 S474 | I469-P471 WeakPolarHBondContact O-CD 3.43Å; P471-S474 PolarHBondContact O-OG 3.08Å |
| 472 | S | 33.3 | Very low | 38 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -82.2 | -8 | -177.9 | 52.6 | 0 | 0 | 0 | 0 | 115.9 | N470 | N470-S472 PolarHBondContact O-N 3.38Š|
| 473 | Q | 35 | Very low | 36.3 | Very low | 164 Ų | 164 | 110.7 Ų | 110.7 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -105.4 | 22.2 | -178.3 | -67.8 | -169.2 | -16.9 | 0 | 0 | 114.5 | N470 S475 | N470-Q473 PolarHBondContact O-N 2.92Å; Q473-S475 VanDerWaalsContact C-N 3.28Å; Q473-S475 PolarHBondContact O-N 3.02Å |
| 474 | S | 29.4 | Very low | 35 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 41.4 | -169.9 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | P471 | P471-S474 PolarHBondContact O-OG 3.08Š|
| 475 | S | 30.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.2 | 19.7 | -175 | 64.8 | 0 | 0 | 0 | 0 | 118.5 | Q473 | Q473-S475 VanDerWaalsContact C-N 3.28Å; Q473-S475 PolarHBondContact O-N 3.02Å |
| 476 | S | 30.6 | Very low | 32.8 | Very low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -153.8 | 137 | 170 | 58.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 477 | S | 30.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 51.5 | 76.5 | 157.6 | 61.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 478 | F | 29.5 | Very low | 31.7 | Very low | 228 Ų | 228 | 129.4 Ų | 129.4 | 100% | 1 | 75% | 0.751 | S | S | * | * | trans | -93.4 | 76.8 | 157 | -120.9 | -81.3 | 0 | 0 | 0 | 110.3 | ||||
| 479 | S | 28 | Very low | 31.5 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -151.8 | 84.6 | -177.5 | 59.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 480 | S | 37.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -148.4 | 107.9 | 158.8 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 481 | T | 30.2 | Very low | 31.8 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | trans | -65.3 | 148.7 | -179.9 | 22.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 482 | G | 32 | Very low | 32.2 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -169 | 57 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R484 | G482-R484 PolarHBondContact O-N 3.4Š| ||
| 483 | N | 30.5 | Very low | 32.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 30.3 | 76.5 | 164.8 | -63 | 5.9 | 0 | 0 | 0 | 118.1 | S485 | N483-S485 PolarHBondContact O-N 3.35Š| ||
| 484 | R | 32.1 | Very low | 33.4 | Very low | 232 Ų | 232 | 132 Ų | 132 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 81 | 153.2 | -97.8 | -169.2 | 172.2 | -168 | 0.7 | 109.7 | G482 | G482-R484 PolarHBondContact O-N 3.4Š| ||
| 485 | S | 28.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -121.1 | 46.1 | -176.8 | 60.5 | 0 | 0 | 0 | 0 | 113 | N483 | N483-S485 PolarHBondContact O-N 3.35Š| ||
| 486 | S | 30.5 | Very low | 36 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -161.7 | 38.2 | 175.7 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 487 | L | 33.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | trans | -116.2 | 94.1 | 167.7 | -89.8 | 164.9 | 0 | 0 | 0 | 109 | ||||
| 488 | N | 32.5 | Very low | 38.9 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | trans | -71.5 | 132.1 | 175.6 | -158.1 | 7.6 | 0 | 0 | 0 | 109 | N490 | N488-N490 PolarHBondContact O-N 3.16Š| ||
| 489 | N | 31.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 116 | -177.8 | -67.6 | -34.9 | 0 | 0 | 0 | 109.6 | ||
| 490 | N | 35.4 | Very low | 42.9 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 90% | 0.898 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.1 | -3.7 | 149.9 | -88.6 | -19.3 | 0 | 0 | 0 | 115.2 | N488 | N488-N490 PolarHBondContact O-N 3.16Š|
| 491 | S | 35.1 | Very low | 44.9 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | trans | -152.3 | 77.2 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 115.3 | P493 | S491-P493 WeakPolarHBondContact O-CD 3.3Š| ||
| 492 | I | 39.8 | Very low | 47.3 | Very low | 156 Ų | 156 | 119 Ų | 119 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | trans | -86.5 | 114.1 | 165.4 | -59.5 | 178.7 | 0 | 0 | 0 | 108.6 | ||||
| 493 | P | 42.9 | Very low | 49.8 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142.4 | 176 | 29.7 | -34.2 | 0 | 0 | 0 | 110.9 | S491 | S491-P493 WeakPolarHBondContact O-CD 3.3Š|
| 494 | N | 50.5 | Low | 52.3 | Low | 150 Ų | 150 | 113.9 Ų | 113.9 | 80% | 0.802 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 131.8 | 176.6 | -79.5 | -27.2 | 0 | 0 | 0 | 111.3 | W496 | N494-W496 PolarHBondContact O-N 3.18Š|
| 495 | P | 56.9 | Low | 54.7 | Low | 55 Ų | 55 | 105.8 Ų | 105.8 | 36% | 0.357 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -48.5 | 124.4 | 177.1 | -29.9 | 32.9 | 0 | 0 | 0 | 112.6 | W497 L498 | P495-W497 HydrophobicContact CB-CD2 4.45Å; P495-W497 HydrophobicContact CB-CG 4.47Å; P495-W497 PolarHBondContact O-N 3.47Å; P495-L498 HydrophobicContact CB-CD1 3.98Å; P495-L498 HydrophobicContact CB-CG 4.23Å; P495-L498 HydrophobicContact CG-CD1 3.93Å; P495-L498 WeakPolarHBondContact O-CB 3.24Å; P495-L498 PolarHBondContact O-N 2.97Å |
| 496 | W | 57.7 | Low | 57.2 | Low | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.553 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.9 | -172.3 | 66.9 | -91.2 | 0 | 0 | 0 | 114.4 | P464 N494 Q499 | P464-W496 HydrophobicContact CG-CZ2 4.49Å; N494-W496 PolarHBondContact O-N 3.18Å; W496-Q499 WeakPolarHBondContact O-CB 3.24Å; W496-Q499 PolarHBondContact O-N 3.49Å |
| 497 | W | 61.7 | Low | 59.5 | Low | 36 Ų | 36 | 98.5 Ų | 98.5 | 14% | 0.136 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17.1 | 175.9 | 59.4 | -103 | 0 | 0 | 0 | 113.5 | P461 D463 P495 I537 | P461-W497 HydrophobicContact CB-CE3 4.14Å; P461-W497 HydrophobicContact CB-CZ3 4.38Å; P461-W497 WeakPolarHBondContact CB-O 3.44Å; D463-W497 HydrophobicContact CB-CD2 4.35Å; D463-W497 HydrophobicContact CB-CE3 4.26Å; D463-W497 HydrophobicContact CB-CH2 4.07Å; D463-W497 HydrophobicContact CB-CZ2 4.18Å; D463-W497 HydrophobicContact CB-CZ3 4.11Å; D463-W497 VanDerWaalsContact OD2-CZ2 3.27Å; D463-W497 WeakPolarHBondContact OD2-CZ2 3.31Å; P495-W497 HydrophobicContact CB-CD2 4.45Å; P495-W497 HydrophobicContact CB-CG 4.47Å; P495-W497 PolarHBondContact O-N 3.47Å; W497-I537 HydrophobicContact CH2-CD1 4.27Å; W497-I537 HydrophobicContact CH2-CG2 3.98Å; W497-I537 HydrophobicContact CZ3-CD1 4.07Å |
| 498 | L | 60.1 | Low | 61.5 | Low | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -80.3 | -4.1 | 167 | -63.7 | 170.4 | 0 | 0 | 0 | 112.4 | P461 P495 R500 V534 | P461-L498 HydrophobicContact CB-CD2 4.4Å; P495-L498 HydrophobicContact CB-CD1 3.98Å; P495-L498 HydrophobicContact CB-CG 4.23Å; P495-L498 HydrophobicContact CG-CD1 3.93Å; P495-L498 WeakPolarHBondContact O-CB 3.24Å; P495-L498 PolarHBondContact O-N 2.97Å; L498-R500 PolarHBondContact O-N 2.8Å; L498-V534 HydrophobicContact CD2-CG1 4.46Å; L498-V534 HydrophobicContact CD2-CG2 4.1Å |
| 499 | Q | 65.8 | Low | 63.3 | Low | 120 Ų | 120 | 85.6 Ų | 85.6 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -68.2 | 122.6 | 176.2 | -169.7 | -176.2 | 29 | 0 | 0 | 110 | W496 R501 | W496-Q499 WeakPolarHBondContact O-CB 3.24Å; W496-Q499 PolarHBondContact O-N 3.49Å; Q499-R501 WeakPolarHBondContact O-CG 3.32Å; Q499-R501 PolarHBondContact O-N 2.69Å |
| 500 | R | 75 | Confident | 64.7 | Low | 135 Ų | 135 | 83.1 Ų | 83.1 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | trans | -58.3 | 120.9 | -179.1 | -46.3 | -167.8 | 178.6 | -167.3 | -2.3 | 110.8 | W458 L498 S527 L530 | W458-R500 HydrophobicContact CD2-CB 3.92Å; W458-R500 HydrophobicContact CE3-CB 3.5Å; W458-R500 VanDerWaalsContact CE3-CB 3.5Å; W458-R500 HydrophobicContact CH2-CB 4.26Å; W458-R500 HydrophobicContact CZ3-CB 3.67Å; L498-R500 PolarHBondContact O-N 2.8Å; R500-S527 PolarHBondContact NH1-OG 2.97Å; R500-L530 HydrophobicContact CB-CD2 4.41Å; R500-L530 HydrophobicContact CG-CD2 3.91Å | ||
| 501 | R | 79.5 | Confident | 65.8 | Low | 103 Ų | 103 | 80.6 Ų | 80.6 | 39% | 0.389 | 40% | 0.397 | S | S | . | . | trans | -128 | 149.9 | -179.3 | -72.3 | 171.6 | -171.8 | -147.1 | -4.5 | 110.8 | W458 L459 Q499 | W458-R501 CarbonylContact C-O 3.55Å; W458-R501 WeakPolarHBondContact CA-O 3.09Å; L459-R501 HydrophobicContact CD1-CB 4.33Å; L459-R501 PolarHBondContact N-O 2.92Å; Q499-R501 WeakPolarHBondContact O-CG 3.32Å; Q499-R501 PolarHBondContact O-N 2.69Å | ||
| 502 | R | 82.7 | Confident | 67.2 | Low | 90 Ų | 90 | 76.7 Ų | 76.7 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -119.1 | -12.8 | 176.6 | -58.2 | -171.8 | 177 | -178.2 | -13.8 | 114.1 | F452 C453 S455 R457 W458 | F452-R502 CarbonylContact C-O 3.5Å; F452-R502 WeakPolarHBondContact CA-O 3.35Å; C453-R502 PolarHBondContact N-O 2.03Å; S455-R502 PolarHBondContact O-NH1 2.99Å; S455-R502 PolarHBondContact O-NH2 2.76Å; R457-R502 WeakPolarHBondContact O-CG 3.36Å; R457-R502 PolarHBondContact O-NE 3.12Å; W458-R502 HydrophobicContact CD2-CG 4.22Å; W458-R502 HydrophobicContact CE3-CG 3.46Å; W458-R502 VanDerWaalsContact CE3-CG 3.46Å; W458-R502 VanDerWaalsContact CZ2-NH2 3.26Å; W458-R502 HydrophobicContact CZ3-CG 3.68Å |
| 503 | H | 83.4 | Confident | 68.5 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.8 | 178.7 | 162 | -117.2 | 0 | 0 | 0 | 109.4 | V451 F452 L459 T505 | V451-H503 CarbonylContact O-C 3.52Å; V451-H503 VanDerWaalsContact O-CA 3.26Å; V451-H503 WeakPolarHBondContact O-CA 3.36Å; V451-H503 PolarHBondContact O-CD2 3.08Å; F452-H503 HydrophobicContact CD1-CB 3.98Å; F452-H503 AromaticContact CD1-CD2 3.85Å; F452-H503 HydrophobicContact CE1-CB 4.23Å; F452-H503 AromaticContact CE1-CD2 3.6Å; F452-H503 AromaticContact CE1-CG 3.92Å; F452-H503 AromaticContact CZ-CD2 3.96Å; L459-H503 VanDerWaalsContact CD1-C 3.47Å; H503-T505 PolarHBondContact CE1-OG1 2.71Å; H503-T505 PolarHBondContact NE2-OG1 2.99Å |
| 504 | I | 83 | Confident | 69.8 | Low | 36 Ų | 36 | 75.6 Ų | 75.6 | 19% | 0.185 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131 | 170.4 | -174.3 | 172.6 | 0 | 0 | 0 | 109.8 | V451 L459 L506 P517 P521 | V451-I504 HydrophobicContact CB-CG2 3.92Å; V451-I504 HydrophobicContact CG2-CG2 4.49Å; V451-I504 PolarHBondContact N-O 3.21Å; V451-I504 PolarHBondContact O-N 3.16Å; L459-I504 HydrophobicContact CD1-CB 3.91Å; L459-I504 HydrophobicContact CD1-CG2 3.76Å; L459-I504 HydrophobicContact CD2-CG2 4.36Å; I504-L506 HydrophobicContact CD1-CD2 4.17Å; I504-L506 HydrophobicContact CG1-CD2 4.15Å; I504-L506 HydrophobicContact CG2-CD2 4.5Å; I504-P517 HydrophobicContact CD1-CG 4Å; I504-P521 HydrophobicContact CG2-CG 3.98Å |
| 505 | T | 82.2 | Confident | 71.1 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.8 | 172.8 | -41.8 | 0 | 0 | 0 | 0 | 110.1 | Y448 A449 E450 H503 | Y448-T505 HydrophobicContact CD2-CG2 3.61Å; Y448-T505 HydrophobicContact CE2-CG2 4.23Å; A449-T505 CarbonylContact O-C 3.59Å; A449-T505 WeakPolarHBondContact O-CA 3.44Å; E450-T505 HydrophobicContact CG-CG2 4.09Å; H503-T505 PolarHBondContact CE1-OG1 2.71Å; H503-T505 PolarHBondContact NE2-OG1 2.99Å |
| 506 | L | 80.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148.3 | 176.2 | -46.9 | 175.8 | 0 | 0 | 0 | 108.8 | I423 Y448 A449 V451 I504 W515 I516 P517 L520 | I423-L506 HydrophobicContact CD1-CD1 3.59Å; I423-L506 HydrophobicContact CG1-CD1 4.33Å; Y448-L506 CarbonylContact C-O 3.59Å; Y448-L506 WeakPolarHBondContact CA-O 3.48Å; Y448-L506 VanDerWaalsContact CB-O 3.23Å; Y448-L506 WeakPolarHBondContact CB-O 3.03Å; A449-L506 HydrophobicContact CB-CB 4.4Å; A449-L506 PolarHBondContact N-O 2.89Å; A449-L506 PolarHBondContact O-N 3.01Å; V451-L506 HydrophobicContact CG2-CD1 3.65Å; V451-L506 HydrophobicContact CG2-CG 4.14Å; I504-L506 HydrophobicContact CD1-CD2 4.17Å; I504-L506 HydrophobicContact CG1-CD2 4.15Å; I504-L506 HydrophobicContact CG2-CD2 4.5Å; L506-W515 HydrophobicContact CB-CE3 3.85Å; L506-I516 CarbonylContact C-O 3.59Å; L506-I516 VanDerWaalsContact CA-O 3.22Å; L506-I516 WeakPolarHBondContact CA-O 3.45Å; L506-P517 HydrophobicContact CD2-CG 4.06Å; L506-L520 HydrophobicContact CD1-CD2 3.52Å |
| 507 | I | 80.3 | Confident | 72.4 | Confident | 64 Ų | 64 | 63 Ų | 63 | 33% | 0.328 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.2 | 177 | -62.5 | 173.8 | 0 | 0 | 0 | 108.3 | F446 I516 | F446-I507 HydrophobicContact CD2-CG2 3.91Å; F446-I507 HydrophobicContact CE2-CD1 4.29Å; F446-I507 HydrophobicContact CE2-CG1 4.45Å; F446-I507 HydrophobicContact CE2-CG2 4.5Å; I507-I516 PolarHBondContact N-O 3.4Å; I507-I516 WeakPolarHBondContact O-CA 3.04Å; I507-I516 WeakPolarHBondContact O-CB 3.02Å; I507-I516 WeakPolarHBondContact O-CG1 3.45Å; I507-I516 PolarHBondContact O-N 2.93Å |
| 508 | C | 74.8 | Confident | 72.6 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.1 | 174.8 | 164.5 | 0 | 0 | 0 | 0 | 109.5 | C420 A447 W515 | C420-C508 HydrophobicContact CB-CB 3.84Å; C420-C508 WeakPolarHBondContact CB-SG 3.1Å; C420-C508 WeakPolarHBondContact SG-CA 3.49Å; C420-C508 WeakPolarHBondContact SG-CB 3.38Å; C420-C508 CovalentContact SG-SG 2.03Å; C420-C508 PolarHBondContact SG-SG 3.34Å; A447-C508 HydrophobicContact CB-CB 3.99Å; A447-C508 PolarHBondContact O-N 2.84Å; C508-W515 HydrophobicContact CB-CD2 4.27Å; C508-W515 HydrophobicContact CB-CE3 3.94Å; C508-W515 HydrophobicContact CB-CH2 3.77Å; C508-W515 HydrophobicContact CB-CZ2 4.1Å; C508-W515 HydrophobicContact CB-CZ3 3.69Å |
| 509 | D | 69.9 | Low | 73.1 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.7 | 157.1 | -167.1 | -7.2 | 0 | 0 | 0 | 109.8 | C420 H511 E512 R513 K514 I516 W857 | C420-D509 PolarHBondContact SG-O 2.65Å; C420-D509 VanDerWaalsContact SG-O 3.37Å; D509-H511 IonicContact OD1-CD2 3.52Å; D509-H511 IonicContact OD1-CG 1.8Å; D509-H511 PolarHBondContact OD1-N 3.2Å; D509-E512 HydrophobicContact CB-CB 4.36Å; D509-E512 PolarHBondContact O-N 2.7Å; D509-R513 WeakPolarHBondContact O-CA 3.21Å; D509-R513 PolarHBondContact O-N 2.78Å; D509-K514 PolarHBondContact N-O 3.04Å; D509-K514 PolarHBondContact O-N 2.78Å; D509-I516 HydrophobicContact CB-CD1 4.13Å; D509-W857 HydrophobicContact CB-CH2 4.3Å; D509-W857 HydrophobicContact CB-CZ2 4.15Å; D509-W857 WeakPolarHBondContact OD2-CZ2 3.4Å; D509-W857 PolarHBondContact OD2-NE1 3.34Å |
| 510 | H | 62.4 | Low | 73.5 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33 | 176 | 72.9 | -47.8 | 0 | 0 | 0 | 114.8 | L419 E512 | L419-H510 HydrophobicContact CB-CB 4.38Å; L419-H510 HydrophobicContact CD1-CB 3.78Å; H510-E512 VanDerWaalsContact C-N 3.32Å |
| 511 | H | 58.1 | Low | 73.6 | Confident | 115 Ų | 115 | 52.6 Ų | 52.6 | 53% | 0.532 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -35.2 | 176.7 | -67.7 | -50.2 | 0 | 0 | 0 | 111 | D509 | D509-H511 IonicContact OD1-CD2 3.52Å; D509-H511 IonicContact OD1-CG 1.8Å; D509-H511 PolarHBondContact OD1-N 3.2Å |
| 512 | E | 64.3 | Low | 73.5 | Confident | 26 Ų | 26 | 51 Ų | 51 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 2.5 | -163.6 | -49.9 | -175 | 141.6 | 0 | 0 | 112.3 | D509 H510 K514 W853 | D509-E512 HydrophobicContact CB-CB 4.36Å; D509-E512 PolarHBondContact O-N 2.7Å; H510-E512 VanDerWaalsContact C-N 3.32Å; E512-K514 WeakPolarHBondContact O-CD 3.35Å; E512-K514 WeakPolarHBondContact O-CE 3.48Å; E512-K514 WeakPolarHBondContact O-CG 3.38Å; E512-K514 PolarHBondContact O-N 2.7Å; E512-W853 HydrophobicContact CB-CH2 3.25Å; E512-W853 HydrophobicContact CB-CZ2 4.27Å; E512-W853 HydrophobicContact CB-CZ3 3.55Å; E512-W853 VanDerWaalsContact CD-CZ3 3.45Å; E512-W853 HydrophobicContact CG-CH2 4.03Å; E512-W853 HydrophobicContact CG-CZ3 3.98Å; E512-W853 WeakPolarHBondContact OE2-CH2 3.43Å; E512-W853 WeakPolarHBondContact OE2-CZ3 3.46Å |
| 513 | R | 65.9 | Low | 73.6 | Confident | 151 Ų | 151 | 47.6 Ų | 47.6 | 57% | 0.57 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 24.8 | 169.7 | -59.9 | -162.4 | -177 | 172.6 | 3.4 | 116.9 | L419 V421 D509 | L419-R513 WeakPolarHBondContact O-CA 3.27Å; L419-R513 WeakPolarHBondContact O-CB 3.07Å; L419-R513 WeakPolarHBondContact O-CG 3.1Å; V421-R513 PolarHBondContact N-O 3Å; D509-R513 WeakPolarHBondContact O-CA 3.21Å; D509-R513 PolarHBondContact O-N 2.78Å |
| 514 | K | 71.7 | Confident | 73.8 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 39% | 0.391 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 160.5 | -165.5 | -67.1 | 165.2 | -160.9 | 160.4 | 0 | 113.5 | C420 D509 E512 W853 | C420-K514 PolarHBondContact SG-N 2.96Å; C420-K514 VanDerWaalsContact SG-N 3.44Å; D509-K514 PolarHBondContact N-O 3.04Å; D509-K514 PolarHBondContact O-N 2.78Å; E512-K514 WeakPolarHBondContact O-CD 3.35Å; E512-K514 WeakPolarHBondContact O-CE 3.48Å; E512-K514 WeakPolarHBondContact O-CG 3.38Å; E512-K514 PolarHBondContact O-N 2.7Å; K514-W853 HydrophobicContact CB-CZ2 3.61Å; K514-W853 HydrophobicContact CD-CD2 4.14Å; K514-W853 HydrophobicContact CD-CH2 4.31Å; K514-W853 HydrophobicContact CD-CZ2 3.44Å; K514-W853 VanDerWaalsContact CD-CZ2 3.44Å; K514-W853 HydrophobicContact CG-CZ2 4.17Å |
| 515 | W | 76.3 | Confident | 73.9 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.076 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.1 | -170.6 | -75.8 | 102.7 | 0 | 0 | 0 | 114.3 | C420 V421 I423 Y434 A449 L506 C508 P517 N518 L520 W854 | C420-W515 HydrophobicContact CB-CD2 4.49Å; C420-W515 HydrophobicContact CB-CZ2 4.13Å; V421-W515 PolarHBondContact O-NE1 3.04Å; I423-W515 HydrophobicContact CD1-CD2 3.53Å; I423-W515 HydrophobicContact CD1-CE3 3.96Å; I423-W515 HydrophobicContact CD1-CG 3.83Å; I423-W515 HydrophobicContact CD1-CH2 4.37Å; I423-W515 HydrophobicContact CD1-CZ2 4Å; I423-W515 HydrophobicContact CD1-CZ3 4.34Å; I423-W515 HydrophobicContact CG1-CD2 4.06Å; I423-W515 HydrophobicContact CG1-CG 3.89Å; Y434-W515 AromaticContact CD1-CH2 3.98Å; Y434-W515 HydrophobicContact CD1-CH2 3.98Å; Y434-W515 AromaticContact CD1-CZ2 3.97Å; Y434-W515 HydrophobicContact CD1-CZ2 3.97Å; Y434-W515 HydrophobicContact CE1-CH2 4.14Å; Y434-W515 AromaticContact CE1-CZ2 3.71Å; Y434-W515 HydrophobicContact CE1-CZ2 3.71Å; A449-W515 HydrophobicContact CB-CE3 4.18Å; A449-W515 HydrophobicContact CB-CH2 3.79Å; A449-W515 HydrophobicContact CB-CZ2 4.49Å; A449-W515 HydrophobicContact CB-CZ3 3.61Å; L506-W515 HydrophobicContact CB-CE3 3.85Å; C508-W515 HydrophobicContact CB-CD2 4.27Å; C508-W515 HydrophobicContact CB-CE3 3.94Å; C508-W515 HydrophobicContact CB-CH2 3.77Å; C508-W515 HydrophobicContact CB-CZ2 4.1Å; C508-W515 HydrophobicContact CB-CZ3 3.69Å; W515-P517 CarbonylContact O-C 3.58Å; W515-N518 WeakPolarHBondContact O-CA 3.42Å; W515-N518 PolarHBondContact O-N 3.49Å; W515-N518 VanDerWaalsContact O-N 3.16Å; W515-L520 HydrophobicContact CB-CD2 4.13Å; W515-W854 WeakPolarHBondContact O-CH2 3.15Å |
| 516 | I | 73.4 | Confident | 74.1 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 108.4 | -178.4 | -44.8 | -156.1 | 0 | 0 | 0 | 111.3 | L506 I507 D509 W854 W857 | L506-I516 CarbonylContact C-O 3.59Å; L506-I516 VanDerWaalsContact CA-O 3.22Å; L506-I516 WeakPolarHBondContact CA-O 3.45Å; I507-I516 PolarHBondContact N-O 3.4Å; I507-I516 WeakPolarHBondContact O-CA 3.04Å; I507-I516 WeakPolarHBondContact O-CB 3.02Å; I507-I516 WeakPolarHBondContact O-CG1 3.45Å; I507-I516 PolarHBondContact O-N 2.93Å; D509-I516 HydrophobicContact CB-CD1 4.13Å; I516-W854 VanDerWaalsContact CA-CH2 3.42Å; I516-W854 HydrophobicContact CB-CD2 4.41Å; I516-W854 HydrophobicContact CB-CE3 4.2Å; I516-W854 HydrophobicContact CB-CH2 4.1Å; I516-W854 HydrophobicContact CB-CZ2 4.39Å; I516-W854 HydrophobicContact CB-CZ3 4.03Å; I516-W854 HydrophobicContact CD1-CD2 3.91Å; I516-W854 HydrophobicContact CD1-CE3 3.61Å; I516-W854 HydrophobicContact CD1-CG 4.32Å; I516-W854 HydrophobicContact CD1-CZ3 4.19Å; I516-W854 HydrophobicContact CG1-CD2 4.01Å; I516-W854 HydrophobicContact CG1-CE3 3.47Å; I516-W854 VanDerWaalsContact CG1-CE3 3.47Å; I516-W854 HydrophobicContact CG1-CH2 4.11Å; I516-W854 HydrophobicContact CG1-CZ3 3.51Å; I516-W854 HydrophobicContact CG2-CD2 3.98Å; I516-W854 HydrophobicContact CG2-CE3 4.28Å; I516-W854 HydrophobicContact CG2-CH2 4.25Å; I516-W854 HydrophobicContact CG2-CZ2 4.03Å; I516-W854 HydrophobicContact CG2-CZ3 4.4Å; I516-W857 HydrophobicContact CD1-CD2 4.22Å; I516-W857 HydrophobicContact CD1-CE3 3.43Å; I516-W857 VanDerWaalsContact CD1-CE3 3.43Å; I516-W857 HydrophobicContact CD1-CH2 4.11Å; I516-W857 HydrophobicContact CD1-CZ3 3.35Å |
| 517 | P | 68.5 | Low | 74.1 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 25% | 0.247 | 22% | 0.218 | C | C | . | . | S | Bend | cis | -93.5 | 150.9 | 4.8 | 35.1 | -39.2 | 0 | 0 | 0 | 118.3 | I504 L506 W515 R851 W854 | I504-P517 HydrophobicContact CD1-CG 4Å; L506-P517 HydrophobicContact CD2-CG 4.06Å; W515-P517 CarbonylContact O-C 3.58Å; P517-R851 PolarHBondContact O-NH2 3.08Å; P517-W854 HydrophobicContact CB-CZ2 4.05Å |
| 518 | N | 66.5 | Low | 74.2 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | -73.2 | -51.5 | -152.1 | -89.4 | -50.1 | 0 | 0 | 0 | 116.4 | W515 L520 R851 W853 W854 | W515-N518 WeakPolarHBondContact O-CA 3.42Å; W515-N518 PolarHBondContact O-N 3.49Å; W515-N518 VanDerWaalsContact O-N 3.16Å; N518-L520 WeakPolarHBondContact O-CG 3.45Å; N518-L520 PolarHBondContact O-N 2.97Å; N518-R851 HydrophobicContact CB-CB 3.78Å; N518-R851 HydrophobicContact CB-CG 3.91Å; N518-R851 VanDerWaalsContact N-NE 3.11Å; N518-R851 VanDerWaalsContact ND2-C 3.33Å; N518-R851 PolarHBondContact ND2-O 3.1Å; N518-W853 VanDerWaalsContact CG-NE1 3.34Å; N518-W853 PolarHBondContact ND2-NE1 2.8Å; N518-W853 PolarHBondContact OD1-NE1 3.49Å; N518-W854 VanDerWaalsContact CA-CH2 3.49Å; N518-W854 HydrophobicContact CB-CH2 3.4Å; N518-W854 HydrophobicContact CB-CZ2 3.89Å; N518-W854 HydrophobicContact CB-CZ3 4.25Å; N518-W854 WeakPolarHBondContact ND2-CH2 3.49Å; N518-W854 VanDerWaalsContact ND2-CZ2 3.31Å; N518-W854 WeakPolarHBondContact ND2-CZ2 3.43Å; N518-W854 VanDerWaalsContact ND2-CZ3 3.27Å; N518-W854 WeakPolarHBondContact ND2-CZ3 2.93Å; N518-W854 WeakPolarHBondContact OD1-CH2 3.42Å; N518-W854 WeakPolarHBondContact OD1-CZ3 3.49Å | ||
| 519 | R | 70.2 | Confident | 74.6 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 17% | 0.166 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -65.1 | 83.2 | 176.1 | 179.3 | -173.6 | 174.9 | 164.3 | -3.4 | 108.6 | E460 M462 I849 P850 R851 | E460-R519 IonicContact OE1-CZ 3.98Å; E460-R519 IonicContact OE1-NE 3.86Å; E460-R519 IonicContact OE1-NH2 3.38Å; E460-R519 PolarHBondContact OE1-NH2 3.49Å; M462-R519 HydrophobicContact CE-CB 4.37Å; M462-R519 HydrophobicContact CE-CG 3.64Å; M462-R519 WeakPolarHBondContact CE-O 3.45Å; R519-I849 HydrophobicContact CG-CB 4.3Å; R519-I849 HydrophobicContact CG-CD1 3.87Å; R519-P850 PolarHBondContact N-O 3.04Å; R519-R851 HydrophobicContact CB-CB 3.65Å; R519-R851 HydrophobicContact CB-CG 4.29Å; R519-R851 PolarHBondContact O-NH1 2.79Å; R519-R851 PolarHBondContact O-NH2 3.4Å |
| 520 | L | 75.8 | Confident | 75.2 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | trans | -48.2 | 136.1 | 174.9 | -54.8 | 172.9 | 0 | 0 | 0 | 108 | I423 L506 W515 N518 E522 I849 | I423-L520 HydrophobicContact CB-CD1 4.21Å; I423-L520 HydrophobicContact CD1-CD2 4.4Å; I423-L520 HydrophobicContact CG1-CD1 4.06Å; I423-L520 HydrophobicContact CG1-CD2 3.83Å; I423-L520 HydrophobicContact CG2-CD1 4Å; I423-L520 HydrophobicContact CG2-CD2 4.12Å; I423-L520 HydrophobicContact CG2-CG 4.42Å; L506-L520 HydrophobicContact CD1-CD2 3.52Å; W515-L520 HydrophobicContact CB-CD2 4.13Å; N518-L520 WeakPolarHBondContact O-CG 3.45Å; N518-L520 PolarHBondContact O-N 2.97Å; L520-E522 PolarHBondContact O-N 3.18Å; L520-I849 WeakPolarHBondContact O-CD1 3.31Å | ||
| 521 | P | 76.6 | Confident | 76 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | trans | -56.9 | 115.5 | 179.5 | 21.3 | -31.7 | 0 | 0 | 0 | 110.6 | P426 V451 L459 M462 I504 | P426-P521 VanDerWaalsContact CB-O 3.28Å; P426-P521 WeakPolarHBondContact CB-O 3.39Å; P426-P521 HydrophobicContact CG-CB 4.34Å; P426-P521 HydrophobicContact CG-CG 4.03Å; P426-P521 WeakPolarHBondContact CG-O 3.46Å; V451-P521 HydrophobicContact CB-CG 4.23Å; V451-P521 HydrophobicContact CG1-CG 3.74Å; L459-P521 HydrophobicContact CD2-CB 3.51Å; L459-P521 HydrophobicContact CD2-CG 3.72Å; M462-P521 HydrophobicContact CE-CB 4.3Å; M462-P521 HydrophobicContact SD-CB 4.2Å; I504-P521 HydrophobicContact CG2-CG 3.98Å | ||
| 522 | E | 77.7 | Confident | 77.1 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | trans | -81 | -30.4 | -171.7 | -145.5 | 163.5 | -165.8 | 0 | 0 | 110.5 | S427 L520 G848 I849 | S427-E522 WeakPolarHBondContact CB-O 3.28Å; S427-E522 PolarHBondContact N-O 2.92Å; S427-E522 PolarHBondContact OG-O 3.33Å; L520-E522 PolarHBondContact O-N 3.18Å; E522-G848 PolarHBondContact OE1-N 2.9Å; E522-I849 HydrophobicContact CB-CD1 4.04Å; E522-I849 HydrophobicContact CG-CD1 3.92Å; E522-I849 HydrophobicContact CG-CG1 4.46Å | ||
| 523 | A | 83.8 | Confident | 77.8 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -141.5 | 150.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S427 E460 L525 | S427-A523 CarbonylContact O-C 3.59Å; S427-A523 WeakPolarHBondContact OG-CA 3.49Å; S427-A523 WeakPolarHBondContact OG-CB 3.36Å; E460-A523 PolarHBondContact N-O 3.34Å; A523-L525 HydrophobicContact CB-CD2 4.04Å |
| 524 | C | 87.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 93.4 | 164.5 | -70 | 0 | 0 | 0 | 0 | 109.4 | S427 G428 C453 R457 W458 | S427-C524 WeakPolarHBondContact O-CB 3.47Å; S427-C524 PolarHBondContact O-N 2.86Å; G428-C524 WeakPolarHBondContact O-CB 3.49Å; C453-C524 WeakPolarHBondContact CA-SG 3.42Å; C453-C524 HydrophobicContact CB-CB 3.8Å; C453-C524 WeakPolarHBondContact CB-SG 3.41Å; C453-C524 VanDerWaalsContact SG-CA 3.54Å; C453-C524 WeakPolarHBondContact SG-CB 3.37Å; C453-C524 CovalentContact SG-SG 2.04Å; C453-C524 PolarHBondContact SG-SG 3.33Å; R457-C524 HydrophobicContact CB-CB 3.94Å; R457-C524 WeakPolarHBondContact CD-O 3.39Å; R457-C524 HydrophobicContact CG-CB 4.41Å; R457-C524 PolarHBondContact NH1-O 3.2Å; W458-C524 CarbonylContact O-C 3.56Å; W458-C524 WeakPolarHBondContact O-CA 3.49Å |
| 525 | L | 85.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147 | -177 | -56.7 | -179.5 | 0 | 0 | 0 | 112.5 | R457 W458 E460 A523 E529 L530 | R457-L525 CarbonylContact C-O 3.42Å; R457-L525 VanDerWaalsContact CA-O 3.24Å; R457-L525 WeakPolarHBondContact CA-O 3.38Å; R457-L525 WeakPolarHBondContact CB-O 3.18Å; W458-L525 PolarHBondContact N-O 3.36Å; W458-L525 PolarHBondContact O-N 3.45Å; E460-L525 HydrophobicContact CB-CD1 4.36Å; E460-L525 HydrophobicContact CG-CD1 4.33Å; A523-L525 HydrophobicContact CB-CD2 4.04Å; L525-E529 HydrophobicContact CB-CB 4.26Å; L525-E529 HydrophobicContact CD2-CB 4.38Å; L525-L530 HydrophobicContact CB-CB 4.42Å; L525-L530 HydrophobicContact CD1-CD1 4.36Å |
| 526 | T | 86.3 | Confident | 78.9 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -71.4 | 170.2 | 164.7 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | D528 E529 L530 | T526-D528 VanDerWaalsContact C-N 3.25Å; T526-D528 PolarHBondContact O-N 3.24Å; T526-E529 VanDerWaalsContact CB-OE2 3.29Å; T526-E529 WeakPolarHBondContact CB-OE2 3.49Å; T526-E529 WeakPolarHBondContact CG2-OE2 3.28Å; T526-E529 PolarHBondContact N-OE2 3.08Å; T526-E529 VanDerWaalsContact OG1-CD 3.24Å; T526-E529 VanDerWaalsContact OG1-CG 3.31Å; T526-E529 WeakPolarHBondContact OG1-CG 3.41Å; T526-E529 PolarHBondContact OG1-N 3.05Å; T526-E529 PolarHBondContact OG1-OE2 3.37Å; T526-L530 WeakPolarHBondContact O-CB 3.01Å; T526-L530 PolarHBondContact O-N 2.97Å | ||
| 527 | S | 80.5 | Confident | 79.1 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -32.3 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 113.2 | R500 A531 | R500-S527 PolarHBondContact NH1-OG 2.97Å; S527-A531 WeakPolarHBondContact O-CB 3.41Å; S527-A531 PolarHBondContact O-N 2.88Å |
| 528 | D | 82.8 | Confident | 79.5 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 65% | 0.647 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -84.7 | -41.9 | -173.4 | -55.1 | -31.7 | 0 | 0 | 0 | 111.3 | T526 L530 A531 T532 | T526-D528 VanDerWaalsContact C-N 3.25Å; T526-D528 PolarHBondContact O-N 3.24Å; D528-L530 VanDerWaalsContact C-N 3.28Å; D528-L530 PolarHBondContact O-N 2.86Å; D528-A531 PolarHBondContact O-N 3.44Å; D528-T532 PolarHBondContact O-N 3.45Å; D528-T532 PolarHBondContact O-OG1 2.82Å; D528-T532 VanDerWaalsContact O-OG1 3.09Å |
| 529 | E | 83.6 | Confident | 80.2 | Confident | 97 Ų | 97 | 55.8 Ų | 55.8 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56 | -44.5 | 167.7 | -68.8 | 165.2 | 137.2 | 0 | 0 | 110.8 | L525 T526 T532 F533 | L525-E529 HydrophobicContact CB-CB 4.26Å; L525-E529 HydrophobicContact CD2-CB 4.38Å; T526-E529 VanDerWaalsContact CB-OE2 3.29Å; T526-E529 WeakPolarHBondContact CB-OE2 3.49Å; T526-E529 WeakPolarHBondContact CG2-OE2 3.28Å; T526-E529 PolarHBondContact N-OE2 3.08Å; T526-E529 VanDerWaalsContact OG1-CD 3.24Å; T526-E529 VanDerWaalsContact OG1-CG 3.31Å; T526-E529 WeakPolarHBondContact OG1-CG 3.41Å; T526-E529 PolarHBondContact OG1-N 3.05Å; T526-E529 PolarHBondContact OG1-OE2 3.37Å; E529-T532 PolarHBondContact O-N 3.19Å; E529-F533 VanDerWaalsContact O-CB 3.3Å; E529-F533 WeakPolarHBondContact O-CB 3.47Å; E529-F533 PolarHBondContact O-N 3.5Å |
| 530 | L | 82 | Confident | 80.6 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.9 | 179.6 | 65.2 | 0 | 0 | 0 | 112.1 | W458 P461 R500 L525 T526 D528 F533 V534 | W458-L530 HydrophobicContact CB-CD2 3.93Å; W458-L530 HydrophobicContact CG-CD2 3.86Å; P461-L530 HydrophobicContact CG-CD1 3.41Å; P461-L530 VanDerWaalsContact CG-CD1 3.41Å; R500-L530 HydrophobicContact CB-CD2 4.41Å; R500-L530 HydrophobicContact CG-CD2 3.91Å; L525-L530 HydrophobicContact CB-CB 4.42Å; L525-L530 HydrophobicContact CD1-CD1 4.36Å; T526-L530 WeakPolarHBondContact O-CB 3.01Å; T526-L530 PolarHBondContact O-N 2.97Å; D528-L530 VanDerWaalsContact C-N 3.28Å; D528-L530 PolarHBondContact O-N 2.86Å; L530-F533 PolarHBondContact O-N 2.83Å; L530-V534 HydrophobicContact CD1-CG2 4.33Å; L530-V534 WeakPolarHBondContact O-CB 3.38Å; L530-V534 VanDerWaalsContact O-CG2 3.25Å; L530-V534 WeakPolarHBondContact O-CG2 3.32Å; L530-V534 PolarHBondContact O-N 2.87Å |
| 531 | A | 79.1 | Confident | 80.6 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 41% | 0.413 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S527 D528 V534 A535 | S527-A531 WeakPolarHBondContact O-CB 3.41Å; S527-A531 PolarHBondContact O-N 2.88Å; D528-A531 PolarHBondContact O-N 3.44Å; A531-V534 PolarHBondContact O-N 2.91Å; A531-A535 WeakPolarHBondContact O-CB 3.44Å; A531-A535 PolarHBondContact O-N 3.03Å |
| 532 | T | 82.3 | Confident | 80.6 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.7 | -45 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | D528 E529 A535 Q536 | D528-T532 PolarHBondContact O-N 3.45Å; D528-T532 PolarHBondContact O-OG1 2.82Å; D528-T532 VanDerWaalsContact O-OG1 3.09Å; E529-T532 PolarHBondContact O-N 3.19Å; T532-A535 PolarHBondContact O-N 2.84Å; T532-Q536 WeakPolarHBondContact O-CB 3.49Å; T532-Q536 PolarHBondContact O-N 3.25Å |
| 533 | F | 79.1 | Confident | 80.5 | Confident | 58 Ų | 58 | 68.8 Ų | 68.8 | 25% | 0.254 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 178 | -175.1 | -98 | 0 | 0 | 0 | 112.1 | E460 P461 E529 L530 A535 Q536 I537 | E460-F533 HydrophobicContact CG-CZ 4.2Å; P461-F533 HydrophobicContact CB-CD1 4.45Å; P461-F533 HydrophobicContact CB-CE1 4Å; P461-F533 HydrophobicContact CG-CD1 3.93Å; P461-F533 HydrophobicContact CG-CE1 3.92Å; E529-F533 VanDerWaalsContact O-CB 3.3Å; E529-F533 WeakPolarHBondContact O-CB 3.47Å; E529-F533 PolarHBondContact O-N 3.5Å; L530-F533 PolarHBondContact O-N 2.83Å; F533-A535 PolarHBondContact O-N 3.11Å; F533-Q536 PolarHBondContact O-N 3.15Å; F533-I537 HydrophobicContact CD1-CD1 3.77Å; F533-I537 HydrophobicContact CE1-CD1 3.36Å; F533-I537 HydrophobicContact CE1-CG1 4.48Å; F533-I537 HydrophobicContact CZ-CD1 3.84Å; F533-I537 WeakPolarHBondContact O-CG1 3.46Å; F533-I537 PolarHBondContact O-N 3.39Å |
| 534 | V | 77.9 | Confident | 79.9 | Confident | 41 Ų | 41 | 73 Ų | 73 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L498 L530 A531 I537 T538 | L498-V534 HydrophobicContact CD2-CG1 4.46Å; L498-V534 HydrophobicContact CD2-CG2 4.1Å; L530-V534 HydrophobicContact CD1-CG2 4.33Å; L530-V534 WeakPolarHBondContact O-CB 3.38Å; L530-V534 VanDerWaalsContact O-CG2 3.25Å; L530-V534 WeakPolarHBondContact O-CG2 3.32Å; L530-V534 PolarHBondContact O-N 2.87Å; A531-V534 PolarHBondContact O-N 2.91Å; V534-I537 PolarHBondContact O-N 3.2Å; V534-T538 WeakPolarHBondContact O-CB 3.32Å; V534-T538 PolarHBondContact O-N 2.93Å; V534-T538 PolarHBondContact O-OG1 3.5Å |
| 535 | A | 78.2 | Confident | 79.1 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A531 T532 F533 T538 K539 | A531-A535 WeakPolarHBondContact O-CB 3.44Å; A531-A535 PolarHBondContact O-N 3.03Å; T532-A535 PolarHBondContact O-N 2.84Å; F533-A535 PolarHBondContact O-N 3.11Å; A535-T538 PolarHBondContact O-N 3.34Å; A535-K539 WeakPolarHBondContact O-CB 3.39Å; A535-K539 PolarHBondContact O-N 3.14Å |
| 536 | Q | 79.4 | Confident | 78.1 | Confident | 120 Ų | 120 | 83 Ų | 83 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 177.5 | -174.4 | 170.1 | -5.8 | 0 | 0 | 112.2 | T532 F533 K539 N540 | T532-Q536 WeakPolarHBondContact O-CB 3.49Å; T532-Q536 PolarHBondContact O-N 3.25Å; F533-Q536 PolarHBondContact O-N 3.15Å; Q536-K539 PolarHBondContact O-N 2.86Å; Q536-N540 PolarHBondContact O-N 2.53Å; Q536-N540 PolarHBondContact O-ND2 2.75Å |
| 537 | I | 78.3 | Confident | 76.9 | Confident | 32 Ų | 32 | 87.9 Ų | 87.9 | 16% | 0.164 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 172 | -73.7 | 177.9 | 0 | 0 | 0 | 110.8 | W497 F533 V534 K539 N540 L541 | W497-I537 HydrophobicContact CH2-CD1 4.27Å; W497-I537 HydrophobicContact CH2-CG2 3.98Å; W497-I537 HydrophobicContact CZ3-CD1 4.07Å; F533-I537 HydrophobicContact CD1-CD1 3.77Å; F533-I537 HydrophobicContact CE1-CD1 3.36Å; F533-I537 HydrophobicContact CE1-CG1 4.48Å; F533-I537 HydrophobicContact CZ-CD1 3.84Å; F533-I537 WeakPolarHBondContact O-CG1 3.46Å; F533-I537 PolarHBondContact O-N 3.39Å; V534-I537 PolarHBondContact O-N 3.2Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 3.41Å; I537-N540 PolarHBondContact O-N 2.66Å; I537-N540 VanDerWaalsContact O-N 3.1Å; I537-L541 HydrophobicContact CG2-CD1 3.99Å; I537-L541 HydrophobicContact CG2-CG 4.48Å; I537-L541 WeakPolarHBondContact O-CG 3.12Å; I537-L541 PolarHBondContact O-N 2.86Å |
| 538 | T | 77.3 | Confident | 75.6 | Confident | 59 Ų | 59 | 91 Ų | 91 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | -179 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | V534 A535 N540 L541 Q542 | V534-T538 WeakPolarHBondContact O-CB 3.32Å; V534-T538 PolarHBondContact O-N 2.93Å; V534-T538 PolarHBondContact O-OG1 3.5Å; A535-T538 PolarHBondContact O-N 3.34Å; T538-N540 VanDerWaalsContact C-N 3.33Å; T538-N540 PolarHBondContact O-N 3Å; T538-L541 PolarHBondContact O-N 3.03Å; T538-Q542 WeakPolarHBondContact O-CG 3.34Å; T538-Q542 PolarHBondContact O-N 2.79Å |
| 539 | K | 79.9 | Confident | 74.1 | Confident | 151 Ų | 151 | 88.6 Ų | 88.6 | 66% | 0.657 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63 | -36.3 | 174.7 | -174.2 | 175.1 | -177.8 | 175.9 | 0 | 112.7 | A535 Q536 I537 K543 | A535-K539 WeakPolarHBondContact O-CB 3.39Å; A535-K539 PolarHBondContact O-N 3.14Å; Q536-K539 PolarHBondContact O-N 2.86Å; I537-K539 VanDerWaalsContact C-N 3.34Å; I537-K539 PolarHBondContact O-N 3.41Å; K539-K543 VanDerWaalsContact O-CB 3.31Å; K539-K543 WeakPolarHBondContact O-CB 3.4Å; K539-K543 PolarHBondContact O-N 2.92Å; K539-K543 VanDerWaalsContact O-N 3.08Å |
| 540 | N | 78.5 | Confident | 72.1 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 175.7 | -74.8 | -17.8 | 0 | 0 | 0 | 112.2 | Q536 I537 T538 K543 M544 | Q536-N540 PolarHBondContact O-N 2.53Å; Q536-N540 PolarHBondContact O-ND2 2.75Å; I537-N540 PolarHBondContact O-N 2.66Å; I537-N540 VanDerWaalsContact O-N 3.1Å; T538-N540 VanDerWaalsContact C-N 3.33Å; T538-N540 PolarHBondContact O-N 3Å; N540-K543 PolarHBondContact O-N 2.96Å; N540-M544 PolarHBondContact O-N 3.23Å; N540-M544 VanDerWaalsContact O-N 3.11Å |
| 541 | L | 76.5 | Confident | 70.2 | Confident | 93 Ų | 93 | 97.8 Ų | 97.8 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -51 | 174.6 | -69.8 | 167.5 | 0 | 0 | 0 | 111.2 | I537 T538 K543 M544 E545 | I537-L541 HydrophobicContact CG2-CD1 3.99Å; I537-L541 HydrophobicContact CG2-CG 4.48Å; I537-L541 WeakPolarHBondContact O-CG 3.12Å; I537-L541 PolarHBondContact O-N 2.86Å; T538-L541 PolarHBondContact O-N 3.03Å; L541-K543 PolarHBondContact O-N 2.86Å; L541-M544 PolarHBondContact O-N 3.09Å; L541-E545 PolarHBondContact O-N 2.79Å |
| 542 | Q | 76.7 | Confident | 68.3 | Low | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58 | -33.4 | 175 | -71.6 | 175.2 | -15.4 | 0 | 0 | 112.9 | T538 N546 | T538-Q542 WeakPolarHBondContact O-CG 3.34Å; T538-Q542 PolarHBondContact O-N 2.79Å; Q542-N546 VanDerWaalsContact O-CB 3.32Å; Q542-N546 WeakPolarHBondContact O-CB 3.35Å; Q542-N546 PolarHBondContact O-N 3.43Å; Q542-N546 PolarHBondContact O-ND2 3.28Å |
| 543 | K | 75.8 | Confident | 66.4 | Low | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.5 | -26.4 | 177.1 | -170.7 | 177.6 | 179.9 | -175.6 | 0 | 113 | K539 N540 L541 | K539-K543 VanDerWaalsContact O-CB 3.31Å; K539-K543 WeakPolarHBondContact O-CB 3.4Å; K539-K543 PolarHBondContact O-N 2.92Å; K539-K543 VanDerWaalsContact O-N 3.08Å; N540-K543 PolarHBondContact O-N 2.96Å; L541-K543 PolarHBondContact O-N 2.86Å |
| 544 | M | 70.9 | Confident | 64.8 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -80.3 | -42.5 | 171.8 | -64.5 | -149.6 | -69.5 | 0 | 0 | 111.6 | N540 L541 N546 K547 N548 | N540-M544 PolarHBondContact O-N 3.23Å; N540-M544 VanDerWaalsContact O-N 3.11Å; L541-M544 PolarHBondContact O-N 3.09Å; M544-N546 PolarHBondContact O-N 2.89Å; M544-K547 WeakPolarHBondContact O-CB 3.28Å; M544-K547 PolarHBondContact O-N 3.17Å; M544-K547 VanDerWaalsContact O-N 3.12Å; M544-N548 PolarHBondContact O-N 3.31Å |
| 545 | E | 70.1 | Confident | 62.9 | Low | 130 Ų | 130 | 107.5 Ų | 107.5 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.7 | -48.5 | 177.1 | -169.7 | 164 | -140.3 | 0 | 0 | 111.8 | L541 K547 N548 T549 | L541-E545 PolarHBondContact O-N 2.79Å; E545-K547 VanDerWaalsContact C-N 3.25Å; E545-K547 PolarHBondContact O-N 3.16Å; E545-N548 PolarHBondContact O-N 2.9Å; E545-N548 VanDerWaalsContact O-N 3.16Å; E545-T549 PolarHBondContact O-N 3.33Å; E545-T549 VanDerWaalsContact O-N 3.14Å; E545-T549 PolarHBondContact O-OG1 2.88Å |
| 546 | N | 65.6 | Low | 60.9 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -14.9 | 176.5 | -75 | -42 | 0 | 0 | 0 | 115 | Q542 M544 K550 | Q542-N546 VanDerWaalsContact O-CB 3.32Å; Q542-N546 WeakPolarHBondContact O-CB 3.35Å; Q542-N546 PolarHBondContact O-N 3.43Å; Q542-N546 PolarHBondContact O-ND2 3.28Å; M544-N546 PolarHBondContact O-N 2.89Å; N546-K550 WeakPolarHBondContact O-CB 3.23Å |
| 547 | K | 60.8 | Low | 58.9 | Low | 140 Ų | 140 | 114 Ų | 114 | 61% | 0.609 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.1 | -42.5 | 169.6 | -90 | -172.2 | 168.7 | -165.6 | 0 | 111.1 | M544 E545 K550 L551 | M544-K547 WeakPolarHBondContact O-CB 3.28Å; M544-K547 PolarHBondContact O-N 3.17Å; M544-K547 VanDerWaalsContact O-N 3.12Å; E545-K547 VanDerWaalsContact C-N 3.25Å; E545-K547 PolarHBondContact O-N 3.16Å; K547-K550 PolarHBondContact O-N 3.01Å; K547-L551 PolarHBondContact O-N 2.97Å |
| 548 | N | 52.5 | Low | 56.7 | Low | 111 Ų | 111 | 120 Ų | 120 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -42.4 | -175.6 | -67.1 | -11.5 | 0 | 0 | 0 | 111.7 | M544 E545 K550 L551 S552 | M544-N548 PolarHBondContact O-N 3.31Å; E545-N548 PolarHBondContact O-N 2.9Å; E545-N548 VanDerWaalsContact O-N 3.16Å; N548-K550 VanDerWaalsContact C-N 3.31Å; N548-K550 PolarHBondContact O-N 3.27Å; N548-L551 PolarHBondContact O-N 2.71Å; N548-S552 PolarHBondContact O-N 2.93Å; N548-S552 PolarHBondContact O-OG 3.36Å |
| 549 | T | 52 | Low | 54.5 | Low | 70 Ų | 70 | 124.2 Ų | 124.2 | 43% | 0.429 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.7 | -32.6 | 176.7 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | E545 L551 S552 | E545-T549 PolarHBondContact O-N 3.33Å; E545-T549 VanDerWaalsContact O-N 3.14Å; E545-T549 PolarHBondContact O-OG1 2.88Å; T549-L551 VanDerWaalsContact C-N 3.34Å; T549-S552 PolarHBondContact O-OG 3.48Å |
| 550 | K | 41.3 | Very low | 52.5 | Low | 160 Ų | 160 | 124.9 Ų | 124.9 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.2 | -17.5 | 178.7 | -157.3 | 169.9 | -172.8 | 177.2 | 0 | 113.6 | N546 K547 N548 | N546-K550 WeakPolarHBondContact O-CB 3.23Å; K547-K550 PolarHBondContact O-N 3.01Å; N548-K550 VanDerWaalsContact C-N 3.31Å; N548-K550 PolarHBondContact O-N 3.27Å |
| 551 | L | 42 | Very low | 50.4 | Low | 136 Ų | 136 | 127.6 Ų | 127.6 | 71% | 0.712 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -85.2 | -33.5 | 171.3 | -90.9 | 155 | 0 | 0 | 0 | 112.4 | K547 N548 T549 L553 | K547-L551 PolarHBondContact O-N 2.97Å; N548-L551 PolarHBondContact O-N 2.71Å; T549-L551 VanDerWaalsContact C-N 3.34Å; L551-L553 VanDerWaalsContact C-N 3.3Å; L551-L553 PolarHBondContact O-N 2.95Å |
| 552 | S | 38.7 | Very low | 48.4 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -9.1 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 115.4 | N548 T549 | N548-S552 PolarHBondContact O-N 2.93Å; N548-S552 PolarHBondContact O-OG 3.36Å; T549-S552 PolarHBondContact O-OG 3.48Å |
| 553 | L | 43.5 | Very low | 46.4 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -11.4 | -178.4 | -77 | 167.6 | 0 | 0 | 0 | 114.2 | L551 | L551-L553 VanDerWaalsContact C-N 3.3Å; L551-L553 PolarHBondContact O-N 2.95Å |
| 554 | N | 44.6 | Very low | 44.7 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.3 | 4.3 | -175.6 | -78.5 | 16.8 | 0 | 0 | 0 | 114.3 | ||
| 555 | S | 38.7 | Very low | 43 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -96.3 | -7.8 | -174.9 | 58.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 556 | N | 36.8 | Very low | 41.2 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -107.7 | 53.7 | -170.9 | -67.1 | 13.7 | 0 | 0 | 0 | 111.7 | L558 | N556-L558 PolarHBondContact O-N 2.99Š| ||
| 557 | Q | 36.1 | Very low | 39.9 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | -96.3 | 84.7 | 175.2 | -171 | 167.2 | -11.7 | 0 | 0 | 111.4 | ||||
| 558 | L | 33.1 | Very low | 38.5 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | 41.2 | 103.5 | 137.1 | -62.5 | 169.2 | 0 | 0 | 0 | 118.6 | N556 | N556-L558 PolarHBondContact O-N 2.99Š| ||
| 559 | D | 31.4 | Very low | 37.3 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -143 | 165.4 | 138.4 | -130.4 | -32.5 | 0 | 0 | 0 | 108.8 | ||||
| 560 | M | 37.1 | Very low | 36.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | 72.9 | 65.7 | -176.6 | -53.8 | -60.3 | 165.6 | 0 | 0 | 117.6 | ||||
| 561 | N | 34.5 | Very low | 36.2 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | 16.8 | 129.6 | 124.3 | -56.6 | -37.6 | 0 | 0 | 0 | 120.4 | |||||
| 562 | S | 35.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | 59.6 | 144.3 | 137.5 | -128.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 563 | S | 33.4 | Very low | 35.1 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | cis | -167.9 | 146.5 | -28.3 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 564 | D | 39.2 | Very low | 34.8 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | 166.7 | 154.9 | 126.2 | -80.9 | 3.5 | 0 | 0 | 0 | 109.5 | |||||
| 565 | E | 37 | Very low | 34.1 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -125.5 | 174 | -156.2 | -155.1 | -173.8 | 173.5 | 0 | 0 | 112.7 | ||||
| 566 | M | 31.6 | Very low | 33.6 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | trans | 76.9 | 87.1 | 144.9 | -161.8 | -179 | -162.4 | 0 | 0 | 119.5 | L568 | M566-L568 HydrophobicContact CE-CD1 4.1Å; M566-L568 HydrophobicContact CE-CD2 3.96Å; M566-L568 HydrophobicContact CG-CB 4.21Å; M566-L568 HydrophobicContact CG-CD1 4.29Å | ||
| 567 | M | 37.7 | Very low | 33.2 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 66.1 | 143.5 | -96.7 | -58.2 | -77 | 0 | 0 | 108.4 | ||||
| 568 | L | 30.9 | Very low | 33 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 50% | 0.497 | 78% | 0.776 | S | S | . | * | 74 | 104.7 | 66.7 | -162.7 | 85.2 | 0 | 0 | 0 | 114.6 | M566 | M566-L568 HydrophobicContact CE-CD1 4.1Å; M566-L568 HydrophobicContact CE-CD2 3.96Å; M566-L568 HydrophobicContact CG-CB 4.21Å; M566-L568 HydrophobicContact CG-CD1 4.29Å | |||
| 569 | K | 29 | Very low | 33 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 27.9 | 92.8 | 147.7 | -56.4 | 172.7 | 174.7 | 174.1 | 0 | 118.3 | ||||
| 570 | I | 33.6 | Very low | 33 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -135.8 | 151.1 | 149.5 | -52.9 | -178.1 | 0 | 0 | 0 | 108 | ||||
| 571 | L | 34.8 | Very low | 33 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | 68.3 | 64 | 175.8 | -70.2 | 138.7 | 0 | 0 | 0 | 116.7 | ||||
| 572 | T | 30.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -67.7 | 151 | 141.4 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 573 | N | 28.5 | Very low | 32.7 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 64.3 | 123.5 | 164.9 | -54.7 | -2.2 | 0 | 0 | 0 | 117.6 | ||||
| 574 | V | 36 | Very low | 32.5 | Very low | 143 Ų | 143 | 147 Ų | 147 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | -161.3 | 154.2 | 118.7 | 141.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 575 | D | 29.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 177 | -163.5 | -78.5 | -75.6 | 0 | 0 | 0 | 116.6 | ||||
| 576 | Q | 28.6 | Very low | 31.9 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -29.4 | 132 | 156.9 | -53.8 | 167.7 | 7.1 | 0 | 0 | 111.4 | ||||
| 577 | S | 29.4 | Very low | 31.9 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -178.6 | -176.9 | 86 | 56.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 578 | E | 32.3 | Very low | 31.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 83.3 | 148 | 147 | -93.8 | -171.7 | 171.1 | 0 | 0 | 123.6 | ||||
| 579 | F | 32.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | trans | 50.8 | 94.2 | 169.3 | -77.6 | -81.2 | 0 | 0 | 0 | 122.4 | ||||
| 580 | N | 31.4 | Very low | 31.8 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -47.1 | 131 | 134.8 | -60.9 | -64.5 | 0 | 0 | 0 | 111.1 | ||||
| 581 | T | 37.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | -173.9 | 124.6 | 118.8 | 19.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 582 | T | 31.1 | Very low | 32.2 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | 9.4 | 148.1 | 142.2 | 57.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 583 | H | 32.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | 100.3 | 88.6 | 153.6 | -66.1 | -65.1 | 0 | 0 | 0 | 120.7 | ||||
| 584 | T | 29.8 | Very low | 33.3 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 79% | 0.787 | S | S | * | * | 38.7 | 97.1 | 123.9 | 53.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 585 | S | 32.7 | Very low | 33.4 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | -167.9 | 139 | 118.9 | 49.8 | 0 | 0 | 0 | 0 | 111.5 | Y587 | S585-Y587 PolarHBondContact O-N 3.5Š| |||
| 586 | L | 30.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -95.2 | 88.7 | 173.4 | -96.1 | 168.4 | 0 | 0 | 0 | 109.5 | ||||
| 587 | Y | 30.5 | Very low | 34.1 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 109.3 | 166 | -117.3 | -82.5 | 0 | 0 | 0 | 109.6 | S585 K589 | S585-Y587 PolarHBondContact O-N 3.5Å; Y587-K589 PolarHBondContact O-N 2.89Å | ||
| 588 | L | 30.4 | Very low | 35 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 109.5 | 171.1 | -83.4 | 162 | 0 | 0 | 0 | 109.3 | ||||
| 589 | K | 32 | Very low | 35.3 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -112.2 | 103.7 | 166.7 | -169.9 | 168.1 | -175.9 | 175.5 | 0 | 109.5 | Y587 | Y587-K589 PolarHBondContact O-N 2.89Š| ||
| 590 | A | 32.7 | Very low | 36 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -87.2 | 138.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 591 | A | 37.5 | Very low | 37.2 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -168.3 | 105.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 592 | N | 39.3 | Very low | 38.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 169.5 | 103 | 107.2 | -124.4 | 62.9 | 0 | 0 | 0 | 110.9 | |||||
| 593 | D | 40.6 | Very low | 39.8 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | 30.6 | 104.3 | 133.7 | -47.8 | -11.2 | 0 | 0 | 0 | 118.5 | ||||
| 594 | N | 41.2 | Very low | 41.5 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | -172.6 | 149.2 | 96.9 | -88.2 | -31.3 | 0 | 0 | 0 | 113.8 | |||||
| 595 | D | 39.2 | Very low | 43.6 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 60.9 | 117 | 160 | -64.2 | -45.8 | 0 | 0 | 0 | 123.3 | ||
| 596 | Q | 35.1 | Very low | 45.8 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | 59.4 | 60.5 | 147.9 | -55.6 | -166.5 | 25.3 | 0 | 0 | 119.5 | ||||
| 597 | V | 39.1 | Very low | 47.9 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -86.9 | 124 | 156.5 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | H599 | V597-H599 PolarHBondContact O-N 2.98Š| ||
| 598 | T | 46.4 | Very low | 50.2 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | trans | -66.6 | 114.9 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | L600 | T598-L600 VanDerWaalsContact C-N 3.29Å; T598-L600 PolarHBondContact O-N 2.9Å | ||
| 599 | H | 40.3 | Very low | 52.6 | Low | 185 Ų | 185 | 115.7 Ų | 115.7 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -69.5 | 77 | 175.8 | -81.2 | -103.3 | 0 | 0 | 0 | 112.5 | V597 S601 | V597-H599 PolarHBondContact O-N 2.98Å; H599-S601 PolarHBondContact O-N 3.48Å; H599-S601 VanDerWaalsContact O-N 3.13Å | ||
| 600 | L | 46.8 | Very low | 55.1 | Low | 125 Ų | 125 | 107.8 Ų | 107.8 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | trans | -64.7 | 107.5 | 147.6 | -80.5 | 92.9 | 0 | 0 | 0 | 106.6 | T598 | T598-L600 VanDerWaalsContact C-N 3.29Å; T598-L600 PolarHBondContact O-N 2.9Å | ||
| 601 | S | 55.9 | Low | 57.6 | Low | 57 Ų | 57 | 107.8 Ų | 107.8 | 40% | 0.399 | 63% | 0.626 | S | S | . | * | trans | -58.3 | 143 | -172.2 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | H599 V603 A604 L605 | H599-S601 PolarHBondContact O-N 3.48Å; H599-S601 VanDerWaalsContact O-N 3.13Å; S601-V603 PolarHBondContact O-N 2.97Å; S601-V603 VanDerWaalsContact O-N 3.1Å; S601-A604 WeakPolarHBondContact O-CB 3.16Å; S601-A604 PolarHBondContact O-N 3.35Å; S601-A604 PolarHBondContact OG-N 2.83Å; S601-L605 PolarHBondContact O-N 3.23Å; S601-L605 VanDerWaalsContact O-N 3.16Å | ||
| 602 | S | 57.5 | Low | 59.8 | Low | 100 Ų | 100 | 108.4 Ų | 108.4 | 70% | 0.699 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.8 | -23.7 | 172.8 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | G606 | S602-G606 WeakPolarHBondContact O-CA 3.48Å; S602-G606 PolarHBondContact O-N 2.98Å |
| 603 | V | 66.6 | Low | 62 | Low | 111 Ų | 111 | 106.4 Ų | 106.4 | 67% | 0.673 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.9 | -44.8 | 170.6 | -175.5 | 0 | 0 | 0 | 0 | 112 | S601 G606 S607 | S601-V603 PolarHBondContact O-N 2.97Å; S601-V603 VanDerWaalsContact O-N 3.1Å; V603-G606 PolarHBondContact O-N 3.49Å; V603-S607 WeakPolarHBondContact O-CB 3.45Å; V603-S607 PolarHBondContact O-N 3.01Å |
| 604 | A | 67.4 | Low | 64 | Low | 42 Ų | 42 | 107.1 Ų | 107.1 | 35% | 0.347 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S601 S607 I608 | S601-A604 WeakPolarHBondContact O-CB 3.16Å; S601-A604 PolarHBondContact O-N 3.35Å; S601-A604 PolarHBondContact OG-N 2.83Å; A604-S607 PolarHBondContact O-N 3.34Å; A604-I608 VanDerWaalsContact O-CG1 3.31Å; A604-I608 WeakPolarHBondContact O-CG1 3.39Å; A604-I608 PolarHBondContact O-N 2.87Å |
| 605 | L | 74.5 | Confident | 66.1 | Low | 106 Ų | 106 | 104.3 Ų | 104.3 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.1 | -42.5 | 173.5 | -69.3 | 172.8 | 0 | 0 | 0 | 111.7 | S601 I608 L609 | S601-L605 PolarHBondContact O-N 3.23Å; S601-L605 VanDerWaalsContact O-N 3.16Å; L605-I608 PolarHBondContact O-N 3.31Å; L605-L609 WeakPolarHBondContact O-CB 3.22Å; L605-L609 PolarHBondContact O-N 3.45Å |
| 606 | G | 78.3 | Confident | 68.3 | Low | 40 Ų | 40 | 102.5 Ų | 102.5 | 41% | 0.412 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.1 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S602 V603 L609 G610 | S602-G606 WeakPolarHBondContact O-CA 3.48Å; S602-G606 PolarHBondContact O-N 2.98Å; V603-G606 PolarHBondContact O-N 3.49Å; G606-L609 PolarHBondContact O-N 3.21Å; G606-G610 PolarHBondContact O-N 3.46Å |
| 607 | S | 75 | Confident | 70.6 | Confident | 70 Ų | 70 | 96 Ų | 96 | 49% | 0.49 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.8 | -45.2 | 174.6 | -176 | 0 | 0 | 0 | 0 | 111.7 | V603 A604 L609 G610 I611 | V603-S607 WeakPolarHBondContact O-CB 3.45Å; V603-S607 PolarHBondContact O-N 3.01Å; A604-S607 PolarHBondContact O-N 3.34Å; S607-L609 VanDerWaalsContact C-N 3.31Å; S607-L609 PolarHBondContact O-N 2.91Å; S607-G610 PolarHBondContact O-N 3.43Å; S607-I611 WeakPolarHBondContact O-CG1 3.47Å; S607-I611 PolarHBondContact O-N 2.89Å |
| 608 | I | 78 | Confident | 72.8 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 59% | 0.585 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 173.3 | -67.7 | 165.4 | 0 | 0 | 0 | 110.6 | A604 L605 L612 | A604-I608 VanDerWaalsContact O-CG1 3.31Å; A604-I608 WeakPolarHBondContact O-CG1 3.39Å; A604-I608 PolarHBondContact O-N 2.87Å; L605-I608 PolarHBondContact O-N 3.31Å; I608-L612 WeakPolarHBondContact O-CB 3.34Å; I608-L612 PolarHBondContact O-N 3.4Å |
| 609 | L | 81.3 | Confident | 74.5 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.3 | -153.7 | 77.1 | 0 | 0 | 0 | 111.7 | L605 G606 S607 L612 I613 | L605-L609 WeakPolarHBondContact O-CB 3.22Å; L605-L609 PolarHBondContact O-N 3.45Å; G606-L609 PolarHBondContact O-N 3.21Å; S607-L609 VanDerWaalsContact C-N 3.31Å; S607-L609 PolarHBondContact O-N 2.91Å; L609-L612 PolarHBondContact O-N 3.34Å; L609-I613 HydrophobicContact CD2-CD1 4.39Å; L609-I613 HydrophobicContact CG-CD1 4.14Å; L609-I613 WeakPolarHBondContact O-CB 3Å; L609-I613 WeakPolarHBondContact O-CD1 3.3Å; L609-I613 WeakPolarHBondContact O-CG1 3.36Å; L609-I613 PolarHBondContact O-N 2.9Å |
| 610 | G | 85.5 | Confident | 76.6 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 38% | 0.381 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G606 S607 L612 I613 F614 | G606-G610 PolarHBondContact O-N 3.46Å; S607-G610 PolarHBondContact O-N 3.43Å; G610-L612 VanDerWaalsContact C-N 3.34Å; G610-I613 PolarHBondContact O-N 2.83Å; G610-F614 WeakPolarHBondContact O-CB 3.25Å; G610-F614 PolarHBondContact O-N 3.33Å |
| 611 | I | 84.5 | Confident | 78.4 | Confident | 99 Ų | 99 | 88.7 Ų | 88.7 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 174.5 | -66.7 | 165.3 | 0 | 0 | 0 | 110.5 | S607 I613 F614 L615 | S607-I611 WeakPolarHBondContact O-CG1 3.47Å; S607-I611 PolarHBondContact O-N 2.89Å; I611-I613 PolarHBondContact O-N 3.49Å; I611-F614 PolarHBondContact O-N 3.3Å; I611-L615 HydrophobicContact CG2-CD1 4.15Å; I611-L615 WeakPolarHBondContact O-CG 3.38Å; I611-L615 PolarHBondContact O-N 2.68Å |
| 612 | L | 82.6 | Confident | 79.7 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177 | -168.6 | 71.3 | 0 | 0 | 0 | 112.2 | I608 L609 G610 L616 | I608-L612 WeakPolarHBondContact O-CB 3.34Å; I608-L612 PolarHBondContact O-N 3.4Å; L609-L612 PolarHBondContact O-N 3.34Å; G610-L612 VanDerWaalsContact C-N 3.34Å; L612-L616 WeakPolarHBondContact O-CB 3.49Å; L612-L616 PolarHBondContact O-N 2.82Å; L612-L616 VanDerWaalsContact O-N 3.08Å |
| 613 | I | 85.5 | Confident | 80.7 | Confident | 103 Ų | 103 | 88 Ų | 88 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 175 | -71.4 | 163.2 | 0 | 0 | 0 | 110.9 | L609 G610 I611 L616 A617 | L609-I613 HydrophobicContact CD2-CD1 4.39Å; L609-I613 HydrophobicContact CG-CD1 4.14Å; L609-I613 WeakPolarHBondContact O-CB 3Å; L609-I613 WeakPolarHBondContact O-CD1 3.3Å; L609-I613 WeakPolarHBondContact O-CG1 3.36Å; L609-I613 PolarHBondContact O-N 2.9Å; G610-I613 PolarHBondContact O-N 2.83Å; I611-I613 PolarHBondContact O-N 3.49Å; I613-L616 PolarHBondContact O-N 3.32Å; I613-A617 PolarHBondContact O-N 2.78Å |
| 614 | F | 83.5 | Confident | 81.4 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -47.5 | 177.6 | -179.8 | -98.1 | 0 | 0 | 0 | 111.9 | G610 I611 L616 A617 T618 | G610-F614 WeakPolarHBondContact O-CB 3.25Å; G610-F614 PolarHBondContact O-N 3.33Å; I611-F614 PolarHBondContact O-N 3.3Å; F614-L616 VanDerWaalsContact C-N 3.35Å; F614-L616 PolarHBondContact O-N 3.35Å; F614-A617 WeakPolarHBondContact O-CB 3.39Å; F614-A617 PolarHBondContact O-N 2.9Å; F614-A617 VanDerWaalsContact O-N 3.13Å; F614-T618 PolarHBondContact O-N 2.99Å; F614-T618 PolarHBondContact O-OG1 3.19Å |
| 615 | L | 86.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 89 Ų | 89 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 177 | -69.6 | 171.2 | 0 | 0 | 0 | 112.4 | I611 A617 T618 F619 | I611-L615 HydrophobicContact CG2-CD1 4.15Å; I611-L615 WeakPolarHBondContact O-CG 3.38Å; I611-L615 PolarHBondContact O-N 2.68Å; L615-A617 VanDerWaalsContact C-N 3.34Å; L615-T618 PolarHBondContact O-N 3.33Å; L615-T618 PolarHBondContact O-OG1 2.91Å; L615-F619 WeakPolarHBondContact O-CB 3.17Å; L615-F619 PolarHBondContact O-N 2.84Å |
| 616 | L | 84.2 | Confident | 82 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 172.2 | -85.9 | 164.6 | 0 | 0 | 0 | 112 | L612 I613 F614 F619 L620 | L612-L616 WeakPolarHBondContact O-CB 3.49Å; L612-L616 PolarHBondContact O-N 2.82Å; L612-L616 VanDerWaalsContact O-N 3.08Å; I613-L616 PolarHBondContact O-N 3.32Å; F614-L616 VanDerWaalsContact C-N 3.35Å; F614-L616 PolarHBondContact O-N 3.35Å; L616-F619 PolarHBondContact O-N 2.82Å; L616-L620 WeakPolarHBondContact O-CB 3.39Å; L616-L620 VanDerWaalsContact O-CG 3.28Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.28Å |
| 617 | A | 83.5 | Confident | 81.7 | Confident | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I613 F614 L615 F619 L620 V621 | I613-A617 PolarHBondContact O-N 2.78Å; F614-A617 WeakPolarHBondContact O-CB 3.39Å; F614-A617 PolarHBondContact O-N 2.9Å; F614-A617 VanDerWaalsContact O-N 3.13Å; L615-A617 VanDerWaalsContact C-N 3.34Å; A617-F619 PolarHBondContact O-N 2.86Å; A617-L620 PolarHBondContact O-N 3.04Å; A617-V621 WeakPolarHBondContact O-CG2 3.41Å; A617-V621 PolarHBondContact O-N 3.24Å |
| 618 | T | 85 | Confident | 81.5 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.2 | -1.6 | 0 | 0 | 0 | 0 | 111.3 | F614 L615 L620 V621 V622 | F614-T618 PolarHBondContact O-N 2.99Å; F614-T618 PolarHBondContact O-OG1 3.19Å; L615-T618 PolarHBondContact O-N 3.33Å; L615-T618 PolarHBondContact O-OG1 2.91Å; T618-L620 VanDerWaalsContact C-N 3.35Å; T618-L620 PolarHBondContact O-N 3.01Å; T618-V621 PolarHBondContact O-N 2.8Å; T618-V622 WeakPolarHBondContact O-CG2 3.39Å; T618-V622 PolarHBondContact O-N 3.02Å |
| 619 | F | 82.4 | Confident | 81.1 | Confident | 139 Ų | 139 | 98 Ų | 98 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 178.1 | -171.5 | -97.3 | 0 | 0 | 0 | 112.4 | L615 L616 A617 V622 C623 | L615-F619 WeakPolarHBondContact O-CB 3.17Å; L615-F619 PolarHBondContact O-N 2.84Å; L616-F619 PolarHBondContact O-N 2.82Å; A617-F619 PolarHBondContact O-N 2.86Å; F619-V622 PolarHBondContact O-N 3.33Å; F619-C623 VanDerWaalsContact CE1-SG 3.52Å; F619-C623 WeakPolarHBondContact O-CB 3.43Å; F619-C623 PolarHBondContact O-N 3.16Å; F619-C623 PolarHBondContact O-SG 3.48Å |
| 620 | L | 84 | Confident | 80.4 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -37.4 | 175.4 | -74.1 | 169.9 | 0 | 0 | 0 | 112.9 | L616 A617 T618 S624 | L616-L620 WeakPolarHBondContact O-CB 3.39Å; L616-L620 VanDerWaalsContact O-CG 3.28Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.28Å; A617-L620 PolarHBondContact O-N 3.04Å; T618-L620 VanDerWaalsContact C-N 3.35Å; T618-L620 PolarHBondContact O-N 3.01Å; L620-S624 WeakPolarHBondContact O-CB 3.4Å; L620-S624 PolarHBondContact O-N 2.93Å; L620-S624 PolarHBondContact O-OG 3.33Å |
| 621 | V | 85.2 | Confident | 79.3 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.527 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | A617 T618 C623 S624 L625 | A617-V621 WeakPolarHBondContact O-CG2 3.41Å; A617-V621 PolarHBondContact O-N 3.24Å; T618-V621 PolarHBondContact O-N 2.8Å; V621-C623 PolarHBondContact O-N 3.18Å; V621-S624 PolarHBondContact O-N 2.91Å; V621-S624 VanDerWaalsContact O-N 3.15Å; V621-L625 HydrophobicContact CG1-CD1 3.98Å; V621-L625 PolarHBondContact O-N 3.14Å |
| 622 | V | 84.1 | Confident | 77.9 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | T618 F619 S624 L625 R626 | T618-V622 WeakPolarHBondContact O-CG2 3.39Å; T618-V622 PolarHBondContact O-N 3.02Å; F619-V622 PolarHBondContact O-N 3.33Å; V622-S624 VanDerWaalsContact C-N 3.32Å; V622-S624 PolarHBondContact O-N 3.25Å; V622-L625 PolarHBondContact O-N 3.25Å; V622-R626 WeakPolarHBondContact O-CB 3.31Å; V622-R626 PolarHBondContact O-N 2.87Å |
| 623 | C | 78.2 | Confident | 76 | Confident | 55 Ų | 55 | 105.2 Ų | 105.2 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 175 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | F619 V621 H627 | F619-C623 VanDerWaalsContact CE1-SG 3.52Å; F619-C623 WeakPolarHBondContact O-CB 3.43Å; F619-C623 PolarHBondContact O-N 3.16Å; F619-C623 PolarHBondContact O-SG 3.48Å; V621-C623 PolarHBondContact O-N 3.18Å; C623-H627 WeakPolarHBondContact O-CB 3.17Å; C623-H627 PolarHBondContact O-N 3.26Å |
| 624 | S | 79.6 | Confident | 74 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 177.8 | -59.2 | 0 | 0 | 0 | 0 | 112 | L620 V621 V622 K628 | L620-S624 WeakPolarHBondContact O-CB 3.4Å; L620-S624 PolarHBondContact O-N 2.93Å; L620-S624 PolarHBondContact O-OG 3.33Å; V621-S624 PolarHBondContact O-N 2.91Å; V621-S624 VanDerWaalsContact O-N 3.15Å; V622-S624 VanDerWaalsContact C-N 3.32Å; V622-S624 PolarHBondContact O-N 3.25Å; S624-K628 PolarHBondContact O-N 2.88Å |
| 625 | L | 77.7 | Confident | 72.2 | Confident | 99 Ų | 99 | 103.9 Ų | 103.9 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -50 | 169.8 | -83.9 | 160.8 | 0 | 0 | 0 | 110.9 | V621 V622 H627 K628 L629 | V621-L625 HydrophobicContact CG1-CD1 3.98Å; V621-L625 PolarHBondContact O-N 3.14Å; V622-L625 PolarHBondContact O-N 3.25Å; L625-H627 VanDerWaalsContact C-N 3.32Å; L625-H627 PolarHBondContact O-N 3.13Å; L625-K628 PolarHBondContact O-N 3.11Å; L625-K628 VanDerWaalsContact O-N 3.16Å; L625-L629 WeakPolarHBondContact O-CB 3.46Å; L625-L629 PolarHBondContact O-N 2.84Å |
| 626 | R | 77.4 | Confident | 70.2 | Confident | 179 Ų | 179 | 102.9 Ų | 102.9 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -41.9 | 178.2 | -165 | 178.8 | -167.5 | -119.6 | 2.6 | 112 | V622 L629 F630 | V622-R626 WeakPolarHBondContact O-CB 3.31Å; V622-R626 PolarHBondContact O-N 2.87Å; R626-L629 PolarHBondContact O-N 2.8Å; R626-F630 WeakPolarHBondContact O-CB 3.49Å; R626-F630 PolarHBondContact O-N 3.01Å |
| 627 | H | 72.3 | Confident | 68.2 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 34% | 0.338 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 177.2 | -165.9 | -55.7 | 0 | 0 | 0 | 112.6 | C623 L625 E631 | C623-H627 WeakPolarHBondContact O-CB 3.17Å; C623-H627 PolarHBondContact O-N 3.26Å; L625-H627 VanDerWaalsContact C-N 3.32Å; L625-H627 PolarHBondContact O-N 3.13Å; H627-E631 IonicContact CE1-OE1 2.84Å; H627-E631 PolarHBondContact CE1-OE1 3.25Å; H627-E631 VanDerWaalsContact CE1-OE1 3.27Å; H627-E631 IonicContact ND1-OE1 3.69Å; H627-E631 PolarHBondContact ND1-OE1 3.01Å; H627-E631 PolarHBondContact O-N 2.78Å |
| 628 | K | 71 | Confident | 65.9 | Low | 160 Ų | 160 | 104.7 Ų | 104.7 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 173.1 | -84.9 | -169.9 | 170.8 | -172.5 | 0 | 111.9 | S624 L625 E631 H632 | S624-K628 PolarHBondContact O-N 2.88Å; L625-K628 PolarHBondContact O-N 3.11Å; L625-K628 VanDerWaalsContact O-N 3.16Å; K628-E631 PolarHBondContact O-N 2.87Å; K628-H632 WeakPolarHBondContact O-CB 3.37Å; K628-H632 PolarHBondContact O-N 3.22Å |
| 629 | L | 70 | Confident | 63.5 | Low | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -46.8 | 174.5 | -97.9 | 133.1 | 0 | 0 | 0 | 111.3 | L625 R626 E631 H632 Y633 | L625-L629 WeakPolarHBondContact O-CB 3.46Å; L625-L629 PolarHBondContact O-N 2.84Å; R626-L629 PolarHBondContact O-N 2.8Å; L629-E631 PolarHBondContact O-N 2.77Å; L629-H632 CarbonylContact O-C 3.48Å; L629-H632 PolarHBondContact O-N 2.81Å; L629-H632 VanDerWaalsContact O-N 3.07Å; L629-Y633 WeakPolarHBondContact O-CB 3.24Å; L629-Y633 PolarHBondContact O-N 2.82Å |
| 630 | F | 67.1 | Low | 61.1 | Low | 117 Ų | 117 | 104 Ų | 104 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.9 | -130.8 | -97.6 | 0 | 0 | 0 | 112.7 | R626 H632 Y633 H634 | R626-F630 WeakPolarHBondContact O-CB 3.49Å; R626-F630 PolarHBondContact O-N 3.01Å; F630-H632 VanDerWaalsContact C-N 3.31Å; F630-H632 PolarHBondContact O-N 3.41Å; F630-Y633 PolarHBondContact O-N 3.2Å; F630-H634 AromaticContact CD1-CD2 3.68Å; F630-H634 AromaticContact CD1-NE2 3.81Å; F630-H634 AromaticContact CE1-CD2 3.8Å; F630-H634 AromaticContact CE1-NE2 3.41Å; F630-H634 WeakPolarHBondContact CE1-NE2 3.21Å; F630-H634 PolarHBondContact O-CD2 3.45Å; F630-H634 PolarHBondContact O-N 2.94Å |
| 631 | E | 61.5 | Low | 58.7 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 171.3 | -88.5 | -166.7 | -129.3 | 0 | 0 | 112.7 | H627 K628 L629 K635 | H627-E631 IonicContact CE1-OE1 2.84Å; H627-E631 PolarHBondContact CE1-OE1 3.25Å; H627-E631 VanDerWaalsContact CE1-OE1 3.27Å; H627-E631 IonicContact ND1-OE1 3.69Å; H627-E631 PolarHBondContact ND1-OE1 3.01Å; H627-E631 PolarHBondContact O-N 2.78Å; K628-E631 PolarHBondContact O-N 2.87Å; L629-E631 PolarHBondContact O-N 2.77Å; E631-K635 WeakPolarHBondContact O-CB 3.49Å; E631-K635 VanDerWaalsContact O-CD 3.27Å; E631-K635 WeakPolarHBondContact O-CD 3.46Å; E631-K635 WeakPolarHBondContact O-CG 3.37Å; E631-K635 PolarHBondContact O-N 3.19Å; E631-K635 IonicContact OE2-NZ 3.87Å; E631-K635 PolarHBondContact OE2-NZ 2.79Å |
| 632 | H | 54 | Low | 56.3 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 61% | 0.611 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -72.6 | -40.5 | 178.6 | -139.4 | -66.3 | 0 | 0 | 0 | 111.6 | K628 L629 F630 K635 T636 | K628-H632 WeakPolarHBondContact O-CB 3.37Å; K628-H632 PolarHBondContact O-N 3.22Å; L629-H632 CarbonylContact O-C 3.48Å; L629-H632 PolarHBondContact O-N 2.81Å; L629-H632 VanDerWaalsContact O-N 3.07Å; F630-H632 VanDerWaalsContact C-N 3.31Å; F630-H632 PolarHBondContact O-N 3.41Å; H632-K635 CarbonylContact O-C 3.58Å; H632-K635 PolarHBondContact O-N 2.82Å; H632-T636 PolarHBondContact O-N 3.09Å; H632-T636 PolarHBondContact O-OG1 3.41Å |
| 633 | Y | 44.6 | Very low | 53.7 | Low | 154 Ų | 154 | 105.1 Ų | 105.1 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -49.1 | -178.8 | -131.4 | -98.1 | 0 | 0 | 0 | 111.7 | L629 F630 T636 I637 | L629-Y633 WeakPolarHBondContact O-CB 3.24Å; L629-Y633 PolarHBondContact O-N 2.82Å; F630-Y633 PolarHBondContact O-N 3.2Å; Y633-T636 WeakPolarHBondContact CA-OG1 3.34Å; Y633-T636 PolarHBondContact O-N 3.09Å; Y633-T636 PolarHBondContact O-OG1 3.04Å; Y633-I637 HydrophobicContact CD1-CD1 3.76Å; Y633-I637 HydrophobicContact CE1-CD1 4.16Å; Y633-I637 WeakPolarHBondContact O-CG1 3.49Å; Y633-I637 PolarHBondContact O-N 3.37Å |
| 634 | H | 43.2 | Very low | 51.3 | Low | 101 Ų | 101 | 107.4 Ų | 107.4 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 174.6 | -81.9 | -73.4 | 0 | 0 | 0 | 111.9 | F630 T636 I637 D638 | F630-H634 AromaticContact CD1-CD2 3.68Å; F630-H634 AromaticContact CD1-NE2 3.81Å; F630-H634 AromaticContact CE1-CD2 3.8Å; F630-H634 AromaticContact CE1-NE2 3.41Å; F630-H634 WeakPolarHBondContact CE1-NE2 3.21Å; F630-H634 PolarHBondContact O-CD2 3.45Å; F630-H634 PolarHBondContact O-N 2.94Å; H634-T636 VanDerWaalsContact C-N 3.27Å; H634-T636 PolarHBondContact O-N 2.88Å; H634-I637 PolarHBondContact O-N 3.22Å; H634-D638 WeakPolarHBondContact O-CB 3.32Å; H634-D638 PolarHBondContact O-N 3.36Å |
| 635 | K | 44.5 | Very low | 48.8 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.1 | -30.5 | 174.7 | -74 | 168.4 | -169.8 | 157.3 | 0 | 112.8 | E631 H632 L639 | E631-K635 WeakPolarHBondContact O-CB 3.49Å; E631-K635 VanDerWaalsContact O-CD 3.27Å; E631-K635 WeakPolarHBondContact O-CD 3.46Å; E631-K635 WeakPolarHBondContact O-CG 3.37Å; E631-K635 PolarHBondContact O-N 3.19Å; E631-K635 IonicContact OE2-NZ 3.87Å; E631-K635 PolarHBondContact OE2-NZ 2.79Å; H632-K635 CarbonylContact O-C 3.58Å; H632-K635 PolarHBondContact O-N 2.82Å; K635-L639 WeakPolarHBondContact O-CB 3.4Å; K635-L639 WeakPolarHBondContact O-CD1 3.28Å; K635-L639 PolarHBondContact O-N 2.98Å |
| 636 | T | 44.6 | Very low | 46.5 | Very low | 69 Ų | 69 | 110 Ų | 110 | 42% | 0.423 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -80.9 | -33.3 | 175.2 | 44.2 | 0 | 0 | 0 | 0 | 113.6 | H632 Y633 H634 L639 A640 | H632-T636 PolarHBondContact O-N 3.09Å; H632-T636 PolarHBondContact O-OG1 3.41Å; Y633-T636 WeakPolarHBondContact CA-OG1 3.34Å; Y633-T636 PolarHBondContact O-N 3.09Å; Y633-T636 PolarHBondContact O-OG1 3.04Å; H634-T636 VanDerWaalsContact C-N 3.27Å; H634-T636 PolarHBondContact O-N 2.88Å; T636-L639 PolarHBondContact O-N 3.18Å; T636-A640 WeakPolarHBondContact O-CB 3.37Å; T636-A640 PolarHBondContact O-N 2.73Å |
| 637 | I | 41.8 | Very low | 44.2 | Very low | 91 Ų | 91 | 112.5 Ų | 112.5 | 47% | 0.467 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.2 | -45.5 | 175.8 | -69.2 | 168.9 | 0 | 0 | 0 | 110.4 | Y633 H634 L639 A640 A641 | Y633-I637 HydrophobicContact CD1-CD1 3.76Å; Y633-I637 HydrophobicContact CE1-CD1 4.16Å; Y633-I637 WeakPolarHBondContact O-CG1 3.49Å; Y633-I637 PolarHBondContact O-N 3.37Å; H634-I637 PolarHBondContact O-N 3.22Å; I637-L639 VanDerWaalsContact C-N 3.29Å; I637-L639 PolarHBondContact O-N 3.26Å; I637-A640 PolarHBondContact O-N 3.02Å; I637-A640 VanDerWaalsContact O-N 3.17Å; I637-A641 PolarHBondContact O-N 2.94Å |
| 638 | D | 35.5 | Very low | 42.1 | Very low | 96 Ų | 96 | 117 Ų | 117 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.8 | -33.6 | 174.5 | -73.6 | -27.4 | 0 | 0 | 0 | 111.9 | H634 I642 | H634-D638 WeakPolarHBondContact O-CB 3.32Å; H634-D638 PolarHBondContact O-N 3.36Å; D638-I642 WeakPolarHBondContact O-CB 3.37Å; D638-I642 WeakPolarHBondContact O-CD1 3.5Å; D638-I642 WeakPolarHBondContact O-CG1 3.35Å; D638-I642 PolarHBondContact O-N 2.84Å |
| 639 | L | 35.4 | Very low | 40 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.5 | -36.2 | 172.1 | -101.1 | 64 | 0 | 0 | 0 | 112.8 | K635 T636 I637 A641 I642 S643 | K635-L639 WeakPolarHBondContact O-CB 3.4Å; K635-L639 WeakPolarHBondContact O-CD1 3.28Å; K635-L639 PolarHBondContact O-N 2.98Å; T636-L639 PolarHBondContact O-N 3.18Å; I637-L639 VanDerWaalsContact C-N 3.29Å; I637-L639 PolarHBondContact O-N 3.26Å; L639-A641 VanDerWaalsContact C-N 3.35Å; L639-I642 PolarHBondContact O-N 3.28Å; L639-S643 WeakPolarHBondContact O-CB 3.23Å; L639-S643 PolarHBondContact O-N 3.42Å |
| 640 | A | 32.1 | Very low | 37.8 | Very low | 69 Ų | 69 | 113.9 Ų | 113.9 | 57% | 0.57 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T636 I637 I642 | T636-A640 WeakPolarHBondContact O-CB 3.37Å; T636-A640 PolarHBondContact O-N 2.73Å; I637-A640 PolarHBondContact O-N 3.02Å; I637-A640 VanDerWaalsContact O-N 3.17Å; A640-I642 VanDerWaalsContact C-N 3.28Å; A640-I642 PolarHBondContact O-N 3.45Å |
| 641 | A | 32.6 | Very low | 35.9 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.1 | -19.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I637 L639 | I637-A641 PolarHBondContact O-N 2.94Å; L639-A641 VanDerWaalsContact C-N 3.35Å |
| 642 | I | 34.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 66% | 0.662 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -107.2 | -21 | -177.2 | -66.3 | 173.1 | 0 | 0 | 0 | 112.8 | D638 L639 A640 S644 | D638-I642 WeakPolarHBondContact O-CB 3.37Å; D638-I642 WeakPolarHBondContact O-CD1 3.5Å; D638-I642 WeakPolarHBondContact O-CG1 3.35Å; D638-I642 PolarHBondContact O-N 2.84Å; L639-I642 PolarHBondContact O-N 3.28Å; A640-I642 VanDerWaalsContact C-N 3.28Å; A640-I642 PolarHBondContact O-N 3.45Å; I642-S644 VanDerWaalsContact C-N 3.33Å; I642-S644 PolarHBondContact O-N 3.47Å |
| 643 | S | 29.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -5.6 | -177.9 | -166.6 | 0 | 0 | 0 | 0 | 114.4 | L639 S645 | L639-S643 WeakPolarHBondContact O-CB 3.23Å; L639-S643 PolarHBondContact O-N 3.42Å; S643-S645 VanDerWaalsContact C-N 3.35Å; S643-S645 PolarHBondContact O-N 2.89Å |
| 644 | S | 28.6 | Very low | 31.9 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 21.8 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | I642 | I642-S644 VanDerWaalsContact C-N 3.33Å; I642-S644 PolarHBondContact O-N 3.47Å |
| 645 | S | 27.9 | Very low | 31.1 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -143.7 | 134.3 | 176.1 | -152.5 | 0 | 0 | 0 | 0 | 114.6 | S643 | S643-S645 VanDerWaalsContact C-N 3.35Å; S643-S645 PolarHBondContact O-N 2.89Å |
| 646 | N | 28.4 | Very low | 30.3 | Very low | 145 Ų | 145 | 117.5 Ų | 117.5 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | 68.9 | 95.6 | 169.1 | -52.4 | -64.9 | 0 | 0 | 0 | 118.7 | ||||
| 647 | R | 28.6 | Very low | 29.4 | Very low | 231 Ų | 231 | 118.2 Ų | 118.2 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | -171.2 | 128.7 | 115.6 | -104.7 | 171.9 | -177.9 | -147.4 | -1.8 | 114.7 | |||||
| 648 | L | 28.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | 64.8 | 119.1 | 149.4 | -57.7 | 165.1 | 0 | 0 | 0 | 118.9 | ||||
| 649 | G | 26.6 | Very low | 28.4 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 161.1 | 68.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 650 | S | 24.7 | Very low | 28.1 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -76.6 | 125.4 | -174 | -50.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 651 | C | 26 | Very low | 27.9 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -164.2 | 106.4 | 150.7 | -102.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 652 | S | 25.2 | Very low | 27.7 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 35.4 | 120.1 | 142.8 | 59.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 653 | L | 26 | Very low | 27.3 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | 67.9 | 130.8 | 133.4 | -84.3 | 61.5 | 0 | 0 | 0 | 121.7 | ||||
| 654 | G | 25.8 | Very low | 27.1 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 160 | 67.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 655 | T | 26.4 | Very low | 27 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -53.4 | 147.1 | 172.6 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 656 | F | 27.5 | Very low | 26.9 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | -161.7 | 152.7 | 52.9 | -87.1 | -99 | 0 | 0 | 0 | 108.2 | |||||
| 657 | S | 25.9 | Very low | 26.7 | Very low | 84 Ų | 84 | 143 Ų | 143 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | cis | 69 | 103.7 | 30.7 | -158.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 658 | R | 29.2 | Very low | 26.5 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | 156.8 | 147.2 | 95.8 | -145.5 | -179.1 | -173 | -170.4 | 0.7 | 115.9 | |||||
| 659 | S | 27.6 | Very low | 26.5 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 60% | 0.601 | 80% | 0.799 | S | S | * | * | trans | 64.6 | 109 | 145.4 | 52.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 660 | K | 27.9 | Very low | 26.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | trans | -0.1 | 135.9 | 130.8 | -53 | -179.2 | 179.8 | -173.7 | 0 | 118.5 | ||||
| 661 | D | 28.8 | Very low | 26.8 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | -174.3 | 166.4 | 108.3 | -98.9 | -12.4 | 0 | 0 | 0 | 113 | |||||
| 662 | T | 27.8 | Very low | 27 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | 77.5 | 150.4 | 172.1 | 10.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 663 | L | 26.1 | Very low | 27.2 | Very low | 158 Ų | 158 | 153 Ų | 153 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 173.4 | 178.5 | -67.6 | 156.2 | 0 | 0 | 0 | 113.1 | ||||
| 664 | L | 24.7 | Very low | 27.2 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 86.9 | 149.8 | 173.8 | -58.9 | 142.5 | 0 | 0 | 0 | 115.6 | P666 | L664-P666 WeakPolarHBondContact O-CD 3.4Š|
| 665 | F | 27.3 | Very low | 27.3 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -58.2 | 136 | 169.6 | -68.2 | -102.9 | 0 | 0 | 0 | 110.6 | ||||
| 666 | P | 25.5 | Very low | 27.5 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -145.5 | 146.9 | 127.5 | 36.7 | -22.6 | 0 | 0 | 0 | 115.1 | L664 | L664-P666 WeakPolarHBondContact O-CD 3.4Š| |||
| 667 | T | 25.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -64.8 | 137.4 | 159.4 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 668 | C | 24.6 | Very low | 27.6 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -171.5 | 139.4 | 136 | -118.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 669 | K | 28 | Very low | 27.8 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -26 | 138.1 | 160 | -70.1 | 171.8 | 168.3 | -179.9 | 0 | 116.3 | ||||
| 670 | R | 26.7 | Very low | 27.9 | Very low | 250 Ų | 250 | 151.9 Ų | 151.9 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -109.6 | 142.1 | 149.1 | -155.5 | 171.4 | -170 | 163.4 | 1.6 | 108.2 | ||||
| 671 | S | 31.2 | Very low | 28.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -133.7 | 162.1 | 175.7 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 672 | L | 30.6 | Very low | 28.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 163.8 | -170.8 | -115.9 | 69.6 | 0 | 0 | 0 | 114.2 | ||||
| 673 | M | 27.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -128.8 | 133.9 | -172.9 | 171.2 | 174.8 | 161.6 | 0 | 0 | 111.4 | ||||
| 674 | S | 26.7 | Very low | 28.6 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | 71 | 143.4 | 174 | -146.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 675 | F | 28.9 | Very low | 29 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | cis | -155.3 | 144 | 44.5 | -103.1 | -86.2 | 0 | 0 | 0 | 114.9 | ||||
| 676 | H | 29.4 | Very low | 29.1 | Very low | 154 Ų | 154 | 141 Ų | 141 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 60.4 | 154.4 | 144 | -91.1 | 25.2 | 0 | 0 | 0 | 120.5 | ||||
| 677 | N | 28.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | cis | -149.8 | 173.9 | -9.8 | -150.4 | -14.5 | 0 | 0 | 0 | 111.3 | ||||
| 678 | N | 28.1 | Very low | 29.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | -46.4 | 149.4 | 172.3 | -58.7 | -66 | 0 | 0 | 0 | 113.8 | ||||
| 679 | N | 31.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | -170.4 | 163.2 | 66.2 | -93.6 | -66.8 | 0 | 0 | 0 | 114.4 | |||||
| 680 | N | 31.4 | Very low | 29.5 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | 20.9 | 148.3 | 140.8 | -58.9 | -17.9 | 0 | 0 | 0 | 122 | ||||
| 681 | S | 30.4 | Very low | 29.6 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | cis | 179.7 | 162.8 | -14.4 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 682 | N | 31.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | 73.6 | 114.8 | 146.4 | -65.9 | -5.7 | 0 | 0 | 0 | 121.4 | ||||
| 683 | N | 32.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 101 | 123.9 | 130.2 | -60.9 | -3.3 | 0 | 0 | 0 | 121.5 | ||||
| 684 | N | 28.8 | Very low | 29 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | 52.4 | 113 | 142.8 | -46.7 | -1.2 | 0 | 0 | 0 | 117.8 | ||||
| 685 | H | 35.1 | Very low | 28.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | -163.2 | 142.1 | 57.2 | -97.8 | -85.5 | 0 | 0 | 0 | 113.8 | |||||
| 686 | D | 29.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | trans | 51.4 | 157.2 | 137 | -52.9 | -22.6 | 0 | 0 | 0 | 125.1 | ||||
| 687 | H | 30.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | 65.4 | 73.5 | 165.7 | -68.7 | -66 | 0 | 0 | 0 | 119.3 | V689 | H687-V689 PolarHBondContact O-N 2.8Š| ||
| 688 | I | 27.6 | Very low | 28.5 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 87% | 0.867 | 72% | 0.715 | S | S | * | * | 2.6 | 86.2 | 120.9 | -48.3 | 173.7 | 0 | 0 | 0 | 114.6 | |||||
| 689 | V | 27.4 | Very low | 28.3 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | -144.2 | 107.1 | 168.7 | 174.9 | 0 | 0 | 0 | 0 | 105.2 | H687 | H687-V689 PolarHBondContact O-N 2.8Š| ||
| 690 | S | 24.6 | Very low | 28.2 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | 69 | 93.5 | 71.3 | -58.7 | 0 | 0 | 0 | 0 | 113.8 | N692 | S690-N692 PolarHBondContact O-N 3.34Š| |||
| 691 | T | 28.5 | Very low | 27.9 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 39.8 | 68.5 | 139.6 | 57.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 692 | N | 24.7 | Very low | 27.8 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | -167.6 | 166 | 152.9 | -98.3 | -38.1 | 0 | 0 | 0 | 108.9 | S690 | S690-N692 PolarHBondContact O-N 3.34Š| ||
| 693 | G | 27.8 | Very low | 27.6 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | 88.3 | 85.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 694 | N | 25 | Very low | 27.2 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | cis | 64.4 | 115.7 | 26.1 | -149.7 | 35.1 | 0 | 0 | 0 | 113 | ||||
| 695 | L | 23.5 | Very low | 27.3 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 63% | 0.628 | 71% | 0.707 | S | S | * | * | trans | 61.1 | 124.4 | 169.4 | -84.8 | 81.5 | 0 | 0 | 0 | 117.6 | ||||
| 696 | F | 27.6 | Very low | 27 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | 58.5 | 123.2 | 94.3 | -58.1 | -167.3 | 0 | 0 | 0 | 114.7 | |||||
| 697 | K | 22.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | -153 | 130.9 | 108.7 | -100.4 | 150.9 | 172.2 | -160.7 | 0 | 108.5 | Y699 | K697-Y699 HydrophobicContact CB-CD2 3.97Å; K697-Y699 HydrophobicContact CB-CE2 3.89Å; K697-Y699 HydrophobicContact CD-CE2 3.68Å; K697-Y699 HydrophobicContact CG-CD2 4.29Å; K697-Y699 HydrophobicContact CG-CE2 3.86Å; K697-Y699 PolarHBondContact NZ-OH 2.87Å; K697-Y699 VanDerWaalsContact NZ-OH 3.08Å | |||
| 698 | S | 28.2 | Very low | 27.1 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | cis | 69.4 | 82.8 | 25.5 | 93.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 699 | Y | 24.6 | Very low | 27.4 | Very low | 178 Ų | 178 | 130 Ų | 130 | 70% | 0.698 | 70% | 0.7 | S | S | * | * | trans | -154.7 | 146.1 | 168.3 | -84.7 | -66.4 | 0 | 0 | 0 | 109.1 | K697 | K697-Y699 HydrophobicContact CB-CD2 3.97Å; K697-Y699 HydrophobicContact CB-CE2 3.89Å; K697-Y699 HydrophobicContact CD-CE2 3.68Å; K697-Y699 HydrophobicContact CG-CD2 4.29Å; K697-Y699 HydrophobicContact CG-CE2 3.86Å; K697-Y699 PolarHBondContact NZ-OH 2.87Å; K697-Y699 VanDerWaalsContact NZ-OH 3.08Å | ||
| 700 | P | 28.9 | Very low | 27.5 | Very low | 81 Ų | 81 | 127 Ų | 127 | 53% | 0.526 | 69% | 0.694 | S | S | . | * | cis | -130.4 | -177.1 | -35.3 | 15.7 | 8.1 | 0 | 0 | 0 | 113.4 | ||||
| 701 | Y | 27 | Very low | 27.7 | Very low | 204 Ų | 204 | 128.6 Ų | 128.6 | 80% | 0.8 | 71% | 0.705 | S | S | * | * | trans | 83.4 | 123.3 | 161.1 | -50 | -52.1 | 0 | 0 | 0 | 116.6 | ||||
| 702 | L | 26.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | cis | -141.7 | 155.5 | -6.9 | -105.7 | 173.1 | 0 | 0 | 0 | 111.1 | ||||
| 703 | L | 27.3 | Very low | 28 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | 19.1 | 108.2 | 150.7 | -100.2 | 55.8 | 0 | 0 | 0 | 116.9 | ||||
| 704 | S | 25.6 | Very low | 28 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 57% | 0.573 | 69% | 0.69 | S | S | * | * | 87.7 | 161.9 | 85 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 705 | H | 30.5 | Very low | 28.1 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | cis | -143.1 | 143.1 | 18.8 | -110 | -49 | 0 | 0 | 0 | 110.4 | ||||
| 706 | N | 28.1 | Very low | 28.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 67% | 0.674 | 69% | 0.693 | S | S | * | * | 51 | 139.4 | 124.5 | -65.6 | 24.2 | 0 | 0 | 0 | 120 | |||||
| 707 | T | 31 | Very low | 28.2 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 64% | 0.638 | 70% | 0.695 | S | S | * | * | cis | -170.8 | 165.4 | 10.5 | 10.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 708 | I | 32.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | trans | 73.5 | 110.5 | 140.7 | -76 | 160.5 | 0 | 0 | 0 | 118.1 | ||||
| 709 | N | 32.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | trans | 64.2 | 138.4 | 143.7 | -55.5 | 2.4 | 0 | 0 | 0 | 119.8 | ||||
| 710 | G | 30.2 | Very low | 28.7 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 70% | 0.703 | S | S | * | * | cis | 149.8 | 161.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 711 | S | 28.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | 68.5 | 128.6 | 179.6 | -2.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 712 | F | 26.6 | Very low | 29 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | cis | 57.6 | 144.1 | 40.8 | -90.3 | -123.5 | 0 | 0 | 0 | 113.4 | ||||
| 713 | P | 33.6 | Very low | 29.2 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 58% | 0.584 | 71% | 0.71 | S | S | * | * | cis | -147 | -156 | -17.1 | 35.3 | -11.2 | 0 | 0 | 0 | 114.6 | ||||
| 714 | D | 27.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | 75.9 | 123.3 | 152.4 | -61.2 | -17.3 | 0 | 0 | 0 | 119 | ||||
| 715 | F | 26.7 | Very low | 29.7 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 82% | 0.82 | 71% | 0.712 | S | S | * | * | 62.6 | 121.2 | 58.4 | -78.9 | -76.5 | 0 | 0 | 0 | 113.4 | |||||
| 716 | S | 27.1 | Very low | 29.5 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | 168.6 | 130 | 108.5 | -79.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 717 | N | 26.7 | Very low | 29.5 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | 59.4 | 158.1 | 132.4 | -57.7 | -16.9 | 0 | 0 | 0 | 118.9 | ||||
| 718 | T | 29 | Very low | 29.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | cis | -151.7 | 127.3 | -6.1 | 7.4 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 719 | A | 27.2 | Very low | 29 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | 71.3 | 159.9 | 81.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 720 | Q | 29 | Very low | 28.7 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 83.6 | 119.6 | 168.4 | -58.7 | -160.9 | 4.6 | 0 | 0 | 120 | ||||
| 721 | Q | 29.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | trans | 66.7 | 109.5 | 133.3 | -62 | 173 | 29.4 | 0 | 0 | 120.5 | ||||
| 722 | Q | 34.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | -159.9 | 122.1 | 100 | -100.2 | 146 | 75.7 | 0 | 0 | 108.9 | |||||
| 723 | Q | 31.1 | Very low | 28.2 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | 83.5 | 154.1 | 80.5 | -82.6 | -172.7 | 15.7 | 0 | 0 | 113.5 | |||||
| 724 | P | 31.5 | Very low | 27.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | cis | -139.3 | -169.4 | -17 | 35.1 | -14.1 | 0 | 0 | 0 | 114.8 | ||||
| 725 | T | 32.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | 70.1 | 119.4 | 155.4 | 40.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 726 | F | 26.2 | Very low | 27.8 | Very low | 186 Ų | 186 | 125.4 Ų | 125.4 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | cis | 71.4 | 148.6 | 47.7 | -63.4 | -59.2 | 0 | 0 | 0 | 113.4 | ||||
| 727 | L | 27.9 | Very low | 27.8 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 71% | 0.707 | 72% | 0.723 | S | S | * | * | cis | -131.4 | 143.9 | -3.8 | -91.5 | 111.5 | 0 | 0 | 0 | 107.8 | ||||
| 728 | L | 25.5 | Very low | 28.1 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | 68.5 | 144.6 | 77.7 | -111.9 | 170.2 | 0 | 0 | 0 | 115.1 | |||||
| 729 | H | 27.2 | Very low | 27.9 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 73% | 0.731 | 73% | 0.727 | S | S | * | * | trans | 78 | 147.3 | -179.4 | -52 | 158.2 | 0 | 0 | 0 | 116.2 | ||||
| 730 | S | 26.2 | Very low | 28.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | cis | -155.6 | 172 | -13.2 | -113.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 731 | S | 23.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -71.6 | 156.8 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 732 | T | 24.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 67.6 | 142.6 | 141.6 | 48 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 733 | V | 25.8 | Very low | 28 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | 82.6 | 118 | 139.9 | 163.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 734 | S | 25.3 | Very low | 27.7 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 48.7 | 88.1 | 139.8 | -171.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 735 | G | 26 | Very low | 27.8 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | 65.9 | -178.2 | 105.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 736 | V | 28 | Very low | 27.6 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 78% | 0.782 | 72% | 0.72 | S | S | * | * | trans | 58.1 | 145.8 | 177.6 | -77.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 737 | N | 27.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | cis | -160.8 | 168.6 | 11.1 | -137.6 | -39.4 | 0 | 0 | 0 | 113.3 | ||||
| 738 | K | 31.8 | Very low | 27.8 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | 71.7 | 122.9 | 160.8 | -62.7 | 155.9 | -173.9 | 177.2 | 0 | 116.3 | ||||
| 739 | K | 26.6 | Very low | 27.9 | Very low | 182 Ų | 182 | 124.2 Ų | 124.2 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | 73.8 | 149.5 | 70.6 | -89.8 | -158.2 | 174.4 | -167.1 | 0 | 113.5 | |||||
| 740 | P | 30.5 | Very low | 28.1 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | cis | -107.5 | -168.9 | 9.9 | 43.9 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 741 | S | 31.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -148.4 | 167.5 | 5.6 | -27.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 742 | N | 26.5 | Very low | 28.4 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | trans | -44 | 159.4 | 158.3 | -47.4 | 12.1 | 0 | 0 | 0 | 111.4 | ||||
| 743 | I | 32.4 | Very low | 28.8 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | -144.5 | 130.5 | 51.7 | -71.4 | 167.2 | 0 | 0 | 0 | 111.3 | |||||
| 744 | D | 26 | Very low | 28.8 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 54% | 0.54 | 72% | 0.716 | S | S | . | * | trans | 13.3 | 138.7 | 133.3 | -37.6 | -67.1 | 0 | 0 | 0 | 117 | I746 | D744-I746 HydrophobicContact CB-CD1 4.29Š| ||
| 745 | F | 32.1 | Very low | 28.8 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 80% | 0.803 | 72% | 0.716 | S | S | * | * | cis | -133.3 | 145.5 | 48.1 | -83.3 | -105.1 | 0 | 0 | 0 | 110.1 | ||||
| 746 | I | 28.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 137 Ų | 137 | 61% | 0.605 | 72% | 0.719 | S | S | * | * | 61.1 | 117.8 | 61.7 | -55.5 | 165.7 | 0 | 0 | 0 | 109 | D744 | D744-I746 HydrophobicContact CB-CD1 4.29Š| |||
| 747 | T | 32.3 | Very low | 28.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | cis | -147.7 | 164.2 | 23.8 | -4.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 748 | D | 26.2 | Very low | 28.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -34.1 | 163.4 | 148.3 | -46 | -90.8 | 0 | 0 | 0 | 116.5 | ||||
| 749 | G | 28.7 | Very low | 28.7 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 147.9 | 76.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 750 | H | 29.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | 46.3 | 111.1 | 79.8 | -68.6 | -61.8 | 0 | 0 | 0 | 115 | |||||
| 751 | L | 26.5 | Very low | 28.9 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | 53.7 | 146.2 | 116.8 | -64.2 | 172.2 | 0 | 0 | 0 | 120.6 | |||||
| 752 | P | 31.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -121.6 | -89 | -44.9 | 17.5 | 3.6 | 0 | 0 | 0 | 116.5 | ||||
| 753 | P | 31.6 | Very low | 29 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | trans | -118.3 | -145.1 | -140.4 | 43.1 | -27.3 | 0 | 0 | 0 | 113.2 | ||||
| 754 | W | 26.8 | Very low | 28.8 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | 76.9 | 149 | -178.6 | -52.6 | 85.2 | 0 | 0 | 0 | 114.8 | ||||
| 755 | R | 24.5 | Very low | 28.8 | Very low | 187 Ų | 187 | 149 Ų | 149 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -176.7 | 144.8 | -41.1 | -120.9 | -173.9 | -178.6 | -165.1 | 1.4 | 107.2 | ||||
| 756 | N | 27.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 160 | 152.7 | -58.3 | -1.4 | 0 | 0 | 0 | 120.1 | ||||
| 757 | S | 26.8 | Very low | 28.7 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 60.4 | 100 | 173 | -157.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 758 | S | 26.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 64.7 | 130.1 | 64.5 | 98.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 759 | M | 30.6 | Very low | 28.5 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | -157 | 153 | 76.1 | -166.7 | 168.8 | -176.9 | 0 | 0 | 113.9 | |||||
| 760 | K | 28.7 | Very low | 28.2 | Very low | 179 Ų | 179 | 148 Ų | 148 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | -63.2 | 149.5 | -175.3 | -55.1 | 166.7 | -178.9 | 173 | 0 | 114.4 | ||||
| 761 | R | 32.9 | Very low | 28 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | -150.1 | 139.4 | 124.7 | -136.8 | 166.1 | -69.8 | -174.2 | 0.9 | 112.3 | |||||
| 762 | N | 27.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -88.3 | 148.3 | -163.7 | -35.1 | -50.1 | 0 | 0 | 0 | 112.7 | ||||
| 763 | Q | 32.4 | Very low | 27.6 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -158.1 | 164.9 | 132.6 | -107.2 | 158.3 | 52.3 | 0 | 0 | 111 | ||||
| 764 | K | 28.5 | Very low | 27.4 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -93.8 | 149.7 | -157 | -67.9 | 178.6 | 174 | -179.6 | 0 | 114.6 | ||||
| 765 | P | 26.7 | Very low | 27.7 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 152.5 | 152.7 | 35.7 | -32.8 | 0 | 0 | 0 | 111.5 | ||||
| 766 | P | 32.4 | Very low | 28.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -96.9 | 113.3 | 170.1 | 33.7 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 767 | T | 25.3 | Very low | 28.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -106.6 | 120.7 | 167.8 | -49.7 | 0 | 0 | 0 | 0 | 109.6 | I769 | T767-I769 HydrophobicContact CG2-CD1 4.33Š| ||
| 768 | A | 27.7 | Very low | 28.4 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -165.7 | 131.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 769 | I | 25.6 | Very low | 28.6 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | cis | 73.1 | 130.6 | 18.8 | -46.4 | -179.3 | 0 | 0 | 0 | 114.5 | T767 | T767-I769 HydrophobicContact CG2-CD1 4.33Š| ||
| 770 | S | 23.1 | Very low | 28.5 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -47 | 155.7 | -171.5 | -45.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 771 | A | 24.4 | Very low | 28.4 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 79.4 | 118.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 772 | L | 24.1 | Very low | 28.2 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 61.2 | 143 | 133.7 | -73.8 | 166.1 | 0 | 0 | 0 | 123.8 | ||||
| 773 | T | 26.5 | Very low | 28.3 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | 77 | 99.6 | 148.1 | 41.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 774 | L | 28.1 | Very low | 28.2 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | 55.7 | 120.9 | 115.2 | -90 | 158.8 | 0 | 0 | 0 | 122.9 | |||||
| 775 | V | 32 | Very low | 28.1 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -146.5 | 136 | 145.8 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 776 | P | 33.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -114.9 | 172.5 | -176.9 | 41.9 | -35.1 | 0 | 0 | 0 | 116.4 | ||||
| 777 | N | 31.1 | Very low | 27.8 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -170 | 163.3 | 159.3 | -94.8 | -57.4 | 0 | 0 | 0 | 107.5 | ||||
| 778 | T | 30.1 | Very low | 27.9 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | cis | -149.1 | 175 | 0.3 | 5.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 779 | P | 30.5 | Very low | 27.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | trans | -122.3 | -163.8 | -148.1 | 46 | -37.6 | 0 | 0 | 0 | 118.1 | ||||
| 780 | S | 26.9 | Very low | 28.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | 83.9 | 155.6 | 176.3 | 85.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 781 | S | 27.8 | Very low | 29 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | cis | -165.6 | 155.5 | -4.2 | 116.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 782 | D | 28.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | cis | -169.3 | 169.9 | -5.9 | 178.5 | 23.7 | 0 | 0 | 0 | 107.3 | ||||
| 783 | R | 28.3 | Very low | 29.7 | Very low | 173 Ų | 173 | 129.2 Ų | 129.2 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | trans | 75.4 | 120 | 155.6 | -78.5 | 155.5 | -171.2 | -131.9 | -5 | 124.4 | ||||
| 784 | R | 30.6 | Very low | 29.8 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | 84.3 | 142.1 | 122.8 | -71.1 | 176.8 | -169.5 | -101.5 | 9.7 | 120.2 | |||||
| 785 | Q | 27 | Very low | 30 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | cis | -169.5 | 165.6 | -20.3 | -132.2 | 168.3 | -13 | 0 | 0 | 110.3 | ||||
| 786 | I | 29.3 | Very low | 29.7 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | trans | 73.3 | 110.8 | 161.7 | -63.9 | 153.9 | 0 | 0 | 0 | 114 | ||||
| 787 | M | 24.4 | Very low | 29.3 | Very low | 159 Ų | 159 | 129 Ų | 129 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | 58.8 | 144.2 | 76.8 | -72.2 | -177.1 | 174.9 | 0 | 0 | 113.3 | |||||
| 788 | N | 27.5 | Very low | 29.2 | Very low | 55 Ų | 55 | 126.6 Ų | 126.6 | 29% | 0.294 | 67% | 0.669 | S | S | . | * | cis | -179.6 | 127.4 | -5.7 | -109.7 | -12.2 | 0 | 0 | 0 | 105.3 | T804 N805 | N788-T804 HydrophobicContact CB-CG2 3.82Å; N788-N805 WeakPolarHBondContact CB-OD1 3.31Å; N788-N805 PolarHBondContact ND2-N 2.77Å; N788-N805 VanDerWaalsContact ND2-N 3.14Å; N788-N805 PolarHBondContact ND2-OD1 2.84Å | ||
| 789 | S | 27.4 | Very low | 29 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | trans | 178.2 | 114.7 | 156.4 | -82.5 | 0 | 0 | 0 | 0 | 116.7 | S803 | S789-S803 CarbonylContact C-O 3.17Å; S789-S803 WeakPolarHBondContact CA-O 3.44Å; S789-S803 PolarHBondContact N-O 2.89Å; S789-S803 PolarHBondContact N-OG 3.35Å; S789-S803 VanDerWaalsContact N-OG 3.1Å | ||
| 790 | L | 33.2 | Very low | 28.8 | Very low | 99 Ų | 99 | 124 Ų | 124 | 52% | 0.518 | 65% | 0.649 | S | S | . | * | trans | -42.1 | 178.8 | 143.1 | -80.2 | 178.1 | 0 | 0 | 0 | 114.8 | S802 S803 T804 | L790-S802 VanDerWaalsContact CD2-O 3.22Å; L790-S802 WeakPolarHBondContact CD2-O 3.37Å; L790-S803 PolarHBondContact N-O 3.06Å; L790-T804 WeakPolarHBondContact CB-OG1 3.43Å; L790-T804 WeakPolarHBondContact CD1-OG1 3.49Å; L790-T804 WeakPolarHBondContact CG-OG1 3.34Å | ||
| 791 | P | 37.5 | Very low | 28.8 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | cis | -150.2 | 176.9 | -22.9 | 29.6 | -4.4 | 0 | 0 | 0 | 119.3 | ||||
| 792 | W | 32.3 | Very low | 28.7 | Very low | 192 Ų | 192 | 123.3 Ų | 123.3 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | 91.5 | 125.2 | 151.6 | -57 | 99.6 | 0 | 0 | 0 | 124.4 | ||||
| 793 | L | 30.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 79% | 0.785 | 61% | 0.613 | S | S | * | * | trans | 100.1 | 131.7 | 144 | -64.2 | 138.9 | 0 | 0 | 0 | 120.8 | ||||
| 794 | R | 28.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 114.2 Ų | 114.2 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | cis | 171.1 | 152.5 | -32.6 | -98.3 | -126.9 | 164.5 | 74.9 | 9.6 | 106.9 | ||||
| 795 | T | 31.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 111.7 Ų | 111.7 | 58% | 0.577 | 60% | 0.6 | S | S | * | * | cis | -170.6 | 172.9 | -15 | 23.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 796 | N | 26.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 109 Ų | 109 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | S | Bend | cis | -130.8 | 101.8 | 6.5 | -126.6 | -12.1 | 0 | 0 | 0 | 109.6 | ||
| 797 | S | 25 | Very low | 28.2 | Very low | 97 Ų | 97 | 106.9 Ų | 106.9 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | trans | -146.8 | 179 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 798 | T | 29.5 | Very low | 29.2 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | trans | 61.1 | 126.1 | 155.3 | 45.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 799 | S | 25.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 107.8 Ų | 107.8 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | trans | -55.7 | 130.8 | 148.3 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 800 | H | 26.8 | Very low | 29.5 | Very low | 88 Ų | 88 | 107.5 Ų | 107.5 | 41% | 0.407 | 64% | 0.637 | S | S | . | * | trans | -168.5 | 126 | 153.5 | -81.6 | -52 | 0 | 0 | 0 | 107.1 | L1328 | H800-L1328 WeakPolarHBondContact NE2-CD2 3.38Š| ||
| 801 | I | 26.6 | Very low | 29.2 | Very low | 150 Ų | 150 | 111.4 Ų | 111.4 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | 82 | 128.7 | 70.3 | -70.1 | 179.1 | 0 | 0 | 0 | 114.6 | |||||
| 802 | S | 25.7 | Very low | 28.8 | Very low | 72 Ų | 72 | 112.5 Ų | 112.5 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | trans | 70.9 | 154.7 | 163.9 | -170.1 | 0 | 0 | 0 | 0 | 119.2 | L790 | L790-S802 VanDerWaalsContact CD2-O 3.22Å; L790-S802 WeakPolarHBondContact CD2-O 3.37Å | ||
| 803 | S | 29.1 | Very low | 28.7 | Very low | 38 Ų | 38 | 109.7 Ų | 109.7 | 27% | 0.266 | 65% | 0.646 | S | S | . | * | -176.7 | 133.9 | -51.3 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | S789 L790 | S789-S803 CarbonylContact C-O 3.17Å; S789-S803 WeakPolarHBondContact CA-O 3.44Å; S789-S803 PolarHBondContact N-O 2.89Å; S789-S803 PolarHBondContact N-OG 3.35Å; S789-S803 VanDerWaalsContact N-OG 3.1Å; L790-S803 PolarHBondContact N-O 3.06Å | |||
| 804 | T | 25.1 | Very low | 28.6 | Very low | 63 Ų | 63 | 108.6 Ų | 108.6 | 39% | 0.387 | 64% | 0.641 | S | S | . | * | trans | -170.6 | 138.7 | 153 | 4.8 | 0 | 0 | 0 | 0 | 117.9 | N788 L790 | N788-T804 HydrophobicContact CB-CG2 3.82Å; L790-T804 WeakPolarHBondContact CB-OG1 3.43Å; L790-T804 WeakPolarHBondContact CD1-OG1 3.49Å; L790-T804 WeakPolarHBondContact CG-OG1 3.34Å | ||
| 805 | N | 25.8 | Very low | 28.7 | Very low | 124 Ų | 124 | 105.5 Ų | 105.5 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | trans | 39.9 | 121 | 140.2 | -62.3 | -5 | 0 | 0 | 0 | 122.4 | N788 | N788-N805 WeakPolarHBondContact CB-OD1 3.31Å; N788-N805 PolarHBondContact ND2-N 2.77Å; N788-N805 VanDerWaalsContact ND2-N 3.14Å; N788-N805 PolarHBondContact ND2-OD1 2.84Å | ||
| 806 | G | 27 | Very low | 28.5 | Very low | 82 Ų | 82 | 107 Ų | 107 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | trans | -177.3 | 116.2 | 160 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 807 | A | 27.3 | Very low | 28.7 | Very low | 97 Ų | 97 | 107.8 Ų | 107.8 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | trans | -88.5 | 158.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 808 | P | 44.3 | Very low | 28.9 | Very low | 113 Ų | 113 | 108 Ų | 108 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | trans | -84.4 | 168.3 | -177.6 | 36.8 | -37.8 | 0 | 0 | 0 | 113.2 | ||||
| 809 | P | 33.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 110.3 Ų | 110.3 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | -113 | 140.3 | 106.1 | -10.3 | 29.3 | 0 | 0 | 0 | 110.6 | |||||
| 810 | A | 28.2 | Very low | 28.9 | Very low | 79 Ų | 79 | 110.5 Ų | 110.5 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | 60.2 | 117.1 | 57.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 811 | F | 27.8 | Very low | 28.9 | Very low | 181 Ų | 181 | 111.7 Ų | 111.7 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | -177.1 | 136.8 | 118.4 | -115.3 | -115.8 | 0 | 0 | 0 | 110.5 | |||||
| 812 | N | 28.7 | Very low | 29.1 | Very low | 110 Ų | 110 | 110.2 Ų | 110.2 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | trans | 46.3 | 149.1 | 140.7 | -67.5 | 5.6 | 0 | 0 | 0 | 121.7 | ||||
| 813 | H | 29.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.616 | 67% | 0.672 | S | S | * | * | cis | -160.7 | 151.7 | 1.1 | -122.3 | -49.4 | 0 | 0 | 0 | 108.3 | ||||
| 814 | N | 28.6 | Very low | 29.2 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | trans | 65.2 | 151.7 | 145.3 | -63 | -4.8 | 0 | 0 | 0 | 118.3 | ||||
| 815 | T | 30.6 | Very low | 29.3 | Very low | 102 Ų | 102 | 120 Ų | 120 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | cis | -156.9 | 145.9 | -12.3 | 13.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 816 | N | 28 | Very low | 29.4 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | trans | 44.7 | 142.3 | 138 | -54.1 | -4.1 | 0 | 0 | 0 | 122.5 | ||||
| 817 | H | 30.1 | Very low | 29.5 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | 69 | 143.2 | 145.3 | -69.3 | -45.2 | 0 | 0 | 0 | 119.4 | ||||
| 818 | T | 29.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | cis | -163 | 150.5 | -35.9 | 0.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 819 | N | 28.3 | Very low | 28.6 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | trans | 56.4 | 133.5 | 149.6 | -58.8 | -8.8 | 0 | 0 | 0 | 121.4 | ||||
| 820 | S | 26.1 | Very low | 28.3 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | trans | 92.2 | 114.6 | 138 | -147.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 821 | T | 28.6 | Very low | 28.2 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | 69.8 | 125.6 | 136 | 47.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 822 | T | 29.1 | Very low | 28.1 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | trans | 79.9 | 122.8 | 141 | 45.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 823 | T | 30.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | trans | 71.8 | 111.2 | 144.7 | 49.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 824 | N | 27.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 77.6 | 126 | 136.1 | -62.7 | 6.2 | 0 | 0 | 0 | 120.5 | ||||
| 825 | N | 27.5 | Very low | 27.4 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 56.2 | 113.1 | 132.2 | -55.6 | 3.1 | 0 | 0 | 0 | 116.6 | ||||
| 826 | N | 28.4 | Very low | 27.1 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | -172.5 | 162 | 50.9 | -104.7 | -27.1 | 0 | 0 | 0 | 114.5 | |||||
| 827 | N | 28.3 | Very low | 27 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | 73.3 | 129.3 | 142.2 | -73.1 | -9.2 | 0 | 0 | 0 | 123.9 | ||||
| 828 | H | 28.2 | Very low | 26.7 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 64.8 | 91 | 139.1 | -54.9 | -28 | 0 | 0 | 0 | 120.1 | ||||
| 829 | S | 25.3 | Very low | 26.6 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 173.5 | 171 | 98.1 | 60.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 830 | R | 26.9 | Very low | 26.6 | Very low | 217 Ų | 217 | 132.1 Ų | 132.1 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | cis | -157.9 | 150.4 | 8.1 | -146.6 | 159.4 | -177 | -169.5 | 1.8 | 108.2 | ||||
| 831 | F | 24.2 | Very low | 26.8 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | trans | 28.8 | 118.7 | 149.8 | -77 | -120.5 | 0 | 0 | 0 | 119.7 | ||||
| 832 | G | 26.6 | Very low | 26.7 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | -176 | 127.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 833 | A | 23.7 | Very low | 26.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -133.3 | 157 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 834 | S | 23.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 60.7 | 132.9 | 171.7 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 835 | S | 25 | Very low | 27.1 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | cis | -165.8 | 176.6 | 43.9 | -78 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 836 | E | 24.3 | Very low | 27.3 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -50.1 | 148.9 | 173.4 | -53.8 | 154.7 | 134.1 | 0 | 0 | 114.8 | ||||
| 837 | T | 25.4 | Very low | 27.4 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 176.4 | 151.1 | 112 | 29.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 838 | I | 24.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 84.6 | 121.5 | 136.9 | -79.8 | 167.4 | 0 | 0 | 0 | 122.9 | ||||
| 839 | L | 26.7 | Very low | 28 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | 80.8 | 127 | 147.3 | -78.4 | 170.5 | 0 | 0 | 0 | 125.3 | ||||
| 840 | F | 28.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 121 Ų | 121 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | trans | -81.5 | 166.1 | 152 | -60.5 | -103 | 0 | 0 | 0 | 110.6 | ||||
| 841 | P | 29.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | -144.9 | -167.8 | 94.2 | 43.5 | -27.2 | 0 | 0 | 0 | 111.7 | |||||
| 842 | S | 27.4 | Very low | 29.5 | Very low | 85 Ų | 85 | 105.6 Ų | 105.6 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | cis | -165.3 | 160.1 | 15.1 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 843 | L | 27.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 105.4 Ų | 105.4 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | trans | 69.1 | 142.7 | 155.6 | -58.9 | 165 | 0 | 0 | 0 | 119.7 | ||||
| 844 | N | 30.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 102 Ų | 102 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | cis | -160.3 | 158.7 | -34.5 | -121.1 | 14.8 | 0 | 0 | 0 | 112 | ||||
| 845 | P | 37 | Very low | 31.5 | Very low | 75 Ų | 75 | 101 Ų | 101 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | trans | -90.1 | -173 | -175.6 | 44 | -43.3 | 0 | 0 | 0 | 113 | ||||
| 846 | P | 31.3 | Very low | 32.3 | Very low | 104 Ų | 104 | 98.7 Ų | 98.7 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | -155.7 | -179.2 | 90.6 | 43.9 | -25.6 | 0 | 0 | 0 | 117.5 | |||||
| 847 | N | 30.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 92.3 Ų | 92.3 | 79% | 0.786 | 53% | 0.527 | S | S | * | . | trans | 73 | 117 | 152.7 | -60.6 | -15.5 | 0 | 0 | 0 | 122.7 | ||||
| 848 | G | 34.6 | Very low | 33.9 | Very low | 66 Ų | 66 | 92.5 Ų | 92.5 | 68% | 0.68 | 51% | 0.513 | S | S | * | . | 145.5 | 89.3 | 124.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | E522 | E522-G848 PolarHBondContact OE1-N 2.9Š| |||
| 849 | I | 35 | Very low | 35.2 | Very low | 67 Ų | 67 | 95.2 Ų | 95.2 | 34% | 0.344 | 52% | 0.515 | S | S | . | . | trans | -151.6 | 159.4 | -179.5 | -3.2 | 166 | 0 | 0 | 0 | 112.2 | R519 L520 E522 | R519-I849 HydrophobicContact CG-CB 4.3Å; R519-I849 HydrophobicContact CG-CD1 3.87Å; L520-I849 WeakPolarHBondContact O-CD1 3.31Å; E522-I849 HydrophobicContact CB-CD1 4.04Å; E522-I849 HydrophobicContact CG-CD1 3.92Å; E522-I849 HydrophobicContact CG-CG1 4.46Å | ||
| 850 | P | 34.6 | Very low | 36.3 | Very low | 69 Ų | 69 | 91 Ų | 91 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | -149.1 | -125 | 102.1 | 42.3 | -23.3 | 0 | 0 | 0 | 116.8 | D467 R519 | D467-P850 HydrophobicContact CB-CG 4.33Å; D467-P850 VanDerWaalsContact CG-CB 3.5Å; D467-P850 WeakPolarHBondContact OD1-CB 3.35Å; D467-P850 WeakPolarHBondContact OD1-CG 3.26Å; D467-P850 WeakPolarHBondContact OD2-CB 3.39Å; D467-P850 WeakPolarHBondContact OD2-CG 3.19Å; R519-P850 PolarHBondContact N-O 3.04Å | |||
| 851 | R | 32.7 | Very low | 37.1 | Very low | 25 Ų | 25 | 84.5 Ų | 84.5 | 9% | 0.094 | 47% | 0.468 | C | S | . | . | trans | -144.5 | 4 | -144.9 | 178.2 | 162.3 | -95.2 | 171.6 | -0.4 | 124.6 | M462 D467 P517 N518 R519 | M462-R851 PolarHBondContact SD-NH1 3.41Å; D467-R851 VanDerWaalsContact OD2-CA 3.28Å; D467-R851 WeakPolarHBondContact OD2-CA 3.47Å; D467-R851 PolarHBondContact OD2-N 2.82Å; P517-R851 PolarHBondContact O-NH2 3.08Å; N518-R851 HydrophobicContact CB-CB 3.78Å; N518-R851 HydrophobicContact CB-CG 3.91Å; N518-R851 VanDerWaalsContact N-NE 3.11Å; N518-R851 VanDerWaalsContact ND2-C 3.33Å; N518-R851 PolarHBondContact ND2-O 3.1Å; R519-R851 HydrophobicContact CB-CB 3.65Å; R519-R851 HydrophobicContact CB-CG 4.29Å; R519-R851 PolarHBondContact O-NH1 2.79Å; R519-R851 PolarHBondContact O-NH2 3.4Å | ||
| 852 | S | 39.2 | Very low | 38.3 | Very low | 74 Ų | 74 | 86.3 Ų | 86.3 | 52% | 0.517 | 46% | 0.46 | S | S | . | . | trans | -68.3 | -39.3 | -159.7 | 59.5 | 0 | 0 | 0 | 0 | 122.9 | D467 W854 | D467-S852 PolarHBondContact OD2-N 3.06Å; S852-W854 PolarHBondContact O-N 2.86Å | ||
| 853 | W | 32.7 | Very low | 39.8 | Very low | 78 Ų | 78 | 89.4 Ų | 89.4 | 30% | 0.295 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.9 | -136.6 | 64.3 | -82.7 | 0 | 0 | 0 | 120.6 | E512 K514 N518 | E512-W853 HydrophobicContact CB-CH2 3.25Å; E512-W853 HydrophobicContact CB-CZ2 4.27Å; E512-W853 HydrophobicContact CB-CZ3 3.55Å; E512-W853 VanDerWaalsContact CD-CZ3 3.45Å; E512-W853 HydrophobicContact CG-CH2 4.03Å; E512-W853 HydrophobicContact CG-CZ3 3.98Å; E512-W853 WeakPolarHBondContact OE2-CH2 3.43Å; E512-W853 WeakPolarHBondContact OE2-CZ3 3.46Å; K514-W853 HydrophobicContact CB-CZ2 3.61Å; K514-W853 HydrophobicContact CD-CD2 4.14Å; K514-W853 HydrophobicContact CD-CH2 4.31Å; K514-W853 HydrophobicContact CD-CZ2 3.44Å; K514-W853 VanDerWaalsContact CD-CZ2 3.44Å; K514-W853 HydrophobicContact CG-CZ2 4.17Å; N518-W853 VanDerWaalsContact CG-NE1 3.34Å; N518-W853 PolarHBondContact ND2-NE1 2.8Å; N518-W853 PolarHBondContact OD1-NE1 3.49Å |
| 854 | W | 36.4 | Very low | 41 | Very low | 20 Ų | 20 | 84.3 Ų | 84.3 | 8% | 0.076 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 16.8 | -179.5 | 63.1 | 50.2 | 0 | 0 | 0 | 116.2 | W515 I516 P517 N518 S852 P856 W857 | W515-W854 WeakPolarHBondContact O-CH2 3.15Å; I516-W854 VanDerWaalsContact CA-CH2 3.42Å; I516-W854 HydrophobicContact CB-CD2 4.41Å; I516-W854 HydrophobicContact CB-CE3 4.2Å; I516-W854 HydrophobicContact CB-CH2 4.1Å; I516-W854 HydrophobicContact CB-CZ2 4.39Å; I516-W854 HydrophobicContact CB-CZ3 4.03Å; I516-W854 HydrophobicContact CD1-CD2 3.91Å; I516-W854 HydrophobicContact CD1-CE3 3.61Å; I516-W854 HydrophobicContact CD1-CG 4.32Å; I516-W854 HydrophobicContact CD1-CZ3 4.19Å; I516-W854 HydrophobicContact CG1-CD2 4.01Å; I516-W854 HydrophobicContact CG1-CE3 3.47Å; I516-W854 VanDerWaalsContact CG1-CE3 3.47Å; I516-W854 HydrophobicContact CG1-CH2 4.11Å; I516-W854 HydrophobicContact CG1-CZ3 3.51Å; I516-W854 HydrophobicContact CG2-CD2 3.98Å; I516-W854 HydrophobicContact CG2-CE3 4.28Å; I516-W854 HydrophobicContact CG2-CH2 4.25Å; I516-W854 HydrophobicContact CG2-CZ2 4.03Å; I516-W854 HydrophobicContact CG2-CZ3 4.4Å; P517-W854 HydrophobicContact CB-CZ2 4.05Å; N518-W854 VanDerWaalsContact CA-CH2 3.49Å; N518-W854 HydrophobicContact CB-CH2 3.4Å; N518-W854 HydrophobicContact CB-CZ2 3.89Å; N518-W854 HydrophobicContact CB-CZ3 4.25Å; N518-W854 WeakPolarHBondContact ND2-CH2 3.49Å; N518-W854 VanDerWaalsContact ND2-CZ2 3.31Å; N518-W854 WeakPolarHBondContact ND2-CZ2 3.43Å; N518-W854 VanDerWaalsContact ND2-CZ3 3.27Å; N518-W854 WeakPolarHBondContact ND2-CZ3 2.93Å; N518-W854 WeakPolarHBondContact OD1-CH2 3.42Å; N518-W854 WeakPolarHBondContact OD1-CZ3 3.49Å; S852-W854 PolarHBondContact O-N 2.86Å; W854-P856 CarbonylContact O-C 3.51Å; W854-W857 HydrophobicContact CB-CB 3.72Å; W854-W857 CarbonylContact O-C 3.56Å; W854-W857 VanDerWaalsContact O-CA 3.26Å; W854-W857 WeakPolarHBondContact O-CA 3Å; W854-W857 VanDerWaalsContact O-CB 3.31Å; W854-W857 WeakPolarHBondContact O-CB 3.47Å; W854-W857 PolarHBondContact O-N 2.7Å |
| 855 | L | 47.1 | Very low | 42.2 | Very low | 94 Ų | 94 | 80.3 Ų | 80.3 | 49% | 0.492 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -53.5 | -23.3 | 175 | -84.4 | 160.8 | 0 | 0 | 0 | 114.7 | ||
| 856 | P | 42.6 | Very low | 43.3 | Very low | 60 Ų | 60 | 85.7 Ų | 85.7 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -58.2 | -52.9 | 160.1 | -26.6 | 37.2 | 0 | 0 | 0 | 113.7 | W854 R858 R859 E1508 | W854-P856 CarbonylContact O-C 3.51Å; P856-R858 PolarHBondContact O-N 3.14Å; P856-R859 PolarHBondContact O-N 2.97Å; P856-E1508 VanDerWaalsContact O-OE1 3.12Å |
| 857 | W | 37.6 | Very low | 44.9 | Very low | 33 Ų | 33 | 85.2 Ų | 85.2 | 13% | 0.125 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -61.5 | 23.2 | 175.5 | -140.5 | 94.9 | 0 | 0 | 0 | 115.1 | D509 I516 W854 M861 E1508 | D509-W857 HydrophobicContact CB-CH2 4.3Å; D509-W857 HydrophobicContact CB-CZ2 4.15Å; D509-W857 WeakPolarHBondContact OD2-CZ2 3.4Å; D509-W857 PolarHBondContact OD2-NE1 3.34Å; I516-W857 HydrophobicContact CD1-CD2 4.22Å; I516-W857 HydrophobicContact CD1-CE3 3.43Å; I516-W857 VanDerWaalsContact CD1-CE3 3.43Å; I516-W857 HydrophobicContact CD1-CH2 4.11Å; I516-W857 HydrophobicContact CD1-CZ3 3.35Å; W854-W857 HydrophobicContact CB-CB 3.72Å; W854-W857 CarbonylContact O-C 3.56Å; W854-W857 VanDerWaalsContact O-CA 3.26Å; W854-W857 WeakPolarHBondContact O-CA 3Å; W854-W857 VanDerWaalsContact O-CB 3.31Å; W854-W857 WeakPolarHBondContact O-CB 3.47Å; W854-W857 PolarHBondContact O-N 2.7Å; W857-M861 HydrophobicContact CD2-CE 4.1Å; W857-M861 HydrophobicContact CD2-SD 4.07Å; W857-M861 HydrophobicContact CE3-CE 3.34Å; W857-M861 HydrophobicContact CE3-CG 4.36Å; W857-M861 HydrophobicContact CE3-SD 3.86Å; W857-M861 HydrophobicContact CH2-CE 3.48Å; W857-M861 VanDerWaalsContact CH2-CE 3.48Å; W857-M861 HydrophobicContact CH2-SD 4.4Å; W857-M861 HydrophobicContact CZ2-CE 4.18Å; W857-M861 HydrophobicContact CZ3-CE 3Å; W857-M861 HydrophobicContact CZ3-SD 4.05Å; W857-M861 WeakPolarHBondContact O-CG 3.32Å; W857-E1508 WeakPolarHBondContact CA-OE1 3.45Å; W857-E1508 WeakPolarHBondContact CA-OE2 3.39Å; W857-E1508 HydrophobicContact CD2-CB 4.17Å; W857-E1508 HydrophobicContact CG-CB 4Å; W857-E1508 WeakPolarHBondContact CZ2-O 3.49Å |
| 858 | R | 46.5 | Very low | 45.8 | Very low | 126 Ų | 126 | 82 Ų | 82 | 48% | 0.475 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -127.1 | -5.1 | 170.9 | -130.6 | 179.1 | -171.7 | -166.4 | 4.2 | 112.1 | P856 Y1506 E1508 | P856-R858 PolarHBondContact O-N 3.14Å; R858-Y1506 HydrophobicContact CG-CE2 4.48Å; R858-E1508 PolarHBondContact N-OE1 3.49Å |
| 859 | R | 50.3 | Low | 47.3 | Very low | 201 Ų | 201 | 82.4 Ų | 82.4 | 76% | 0.758 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -47.6 | -172 | -71 | -169.4 | 174.3 | -147.1 | 1.2 | 112.6 | P856 M861 R862 K863 E1508 | P856-R859 PolarHBondContact O-N 2.97Å; R859-M861 PolarHBondContact O-N 2.85Å; R859-R862 WeakPolarHBondContact O-CB 3.37Å; R859-R862 PolarHBondContact O-N 2.63Å; R859-K863 PolarHBondContact O-N 2.83Å; R859-E1508 PolarHBondContact N-OE1 2.57Å |
| 860 | S | 51.2 | Low | 48.8 | Very low | 42 Ų | 42 | 85.1 Ų | 85.1 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.3 | -20.3 | 168.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | R862 K863 K864 E1508 | S860-R862 VanDerWaalsContact C-N 3.26Å; S860-R862 PolarHBondContact O-N 2.85Å; S860-K863 CarbonylContact O-C 3.55Å; S860-K863 WeakPolarHBondContact O-CA 3.29Å; S860-K863 WeakPolarHBondContact O-CB 3.25Å; S860-K863 PolarHBondContact O-N 2.04Å; S860-K864 PolarHBondContact O-N 2.9Å; S860-E1508 VanDerWaalsContact CA-CD 3.47Å; S860-E1508 WeakPolarHBondContact CA-OE1 3.32Å; S860-E1508 VanDerWaalsContact CB-OE2 3.23Å; S860-E1508 WeakPolarHBondContact CB-OE2 3.49Å; S860-E1508 VanDerWaalsContact N-CD 3.27Å; S860-E1508 PolarHBondContact N-OE1 2.76Å; S860-E1508 PolarHBondContact N-OE2 3.1Å |
| 861 | M | 43.9 | Very low | 50.4 | Low | 16 Ų | 16 | 85 Ų | 85 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.5 | -35.7 | 174.8 | -64.4 | -64.8 | -112.5 | 0 | 0 | 109.4 | W857 R859 R865 Y1506 D1507 E1508 | W857-M861 HydrophobicContact CD2-CE 4.1Å; W857-M861 HydrophobicContact CD2-SD 4.07Å; W857-M861 HydrophobicContact CE3-CE 3.34Å; W857-M861 HydrophobicContact CE3-CG 4.36Å; W857-M861 HydrophobicContact CE3-SD 3.86Å; W857-M861 HydrophobicContact CH2-CE 3.48Å; W857-M861 VanDerWaalsContact CH2-CE 3.48Å; W857-M861 HydrophobicContact CH2-SD 4.4Å; W857-M861 HydrophobicContact CZ2-CE 4.18Å; W857-M861 HydrophobicContact CZ3-CE 3Å; W857-M861 HydrophobicContact CZ3-SD 4.05Å; W857-M861 WeakPolarHBondContact O-CG 3.32Å; R859-M861 PolarHBondContact O-N 2.85Å; M861-R865 VanDerWaalsContact O-CB 3.26Å; M861-R865 WeakPolarHBondContact O-CB 3.48Å; M861-R865 WeakPolarHBondContact O-CG 3.35Å; M861-R865 PolarHBondContact O-N 2.74Å; M861-Y1506 HydrophobicContact CB-CD1 3.2Å; M861-Y1506 HydrophobicContact CB-CE1 3.92Å; M861-Y1506 HydrophobicContact CB-CG 3.65Å; M861-Y1506 VanDerWaalsContact CE-C 3.45Å; M861-Y1506 VanDerWaalsContact CE-CB 3.43Å; M861-Y1506 WeakPolarHBondContact CE-O 3.3Å; M861-Y1506 HydrophobicContact CG-CD1 4.14Å; M861-Y1506 HydrophobicContact CG-CG 4.11Å; M861-D1507 VanDerWaalsContact CA-O 3.28Å; M861-D1507 WeakPolarHBondContact CA-O 3.22Å; M861-D1507 WeakPolarHBondContact SD-CA 3.43Å; M861-D1507 PolarHBondContact SD-N 2.75Å; M861-E1508 HydrophobicContact CB-CG 3.98Å; M861-E1508 HydrophobicContact CG-CB 4.03Å; M861-E1508 HydrophobicContact CG-CG 3.54Å; M861-E1508 VanDerWaalsContact CG-OE1 3.25Å; M861-E1508 WeakPolarHBondContact CG-OE1 3.34Å; M861-E1508 PolarHBondContact N-OE1 2.71Å; M861-E1508 HydrophobicContact SD-CB 3.48Å; M861-E1508 WeakPolarHBondContact SD-CB 3.5Å; M861-E1508 HydrophobicContact SD-CG 3.63Å; M861-E1508 PolarHBondContact SD-N 3.36Å |
| 862 | R | 54.2 | Low | 52.3 | Low | 152 Ų | 152 | 87.4 Ų | 87.4 | 57% | 0.574 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72.6 | -27.6 | 171 | -107.8 | 141.6 | -167.6 | -144.2 | 0.2 | 112.3 | R859 S860 R866 Y1506 | R859-R862 WeakPolarHBondContact O-CB 3.37Å; R859-R862 PolarHBondContact O-N 2.63Å; S860-R862 VanDerWaalsContact C-N 3.26Å; S860-R862 PolarHBondContact O-N 2.85Å; R862-R866 WeakPolarHBondContact O-CG 3.24Å; R862-R866 PolarHBondContact O-N 2.78Å; R862-Y1506 HydrophobicContact CG-CE1 3.97Å; R862-Y1506 PolarHBondContact NE-OH 3.49Å; R862-Y1506 VanDerWaalsContact NE-OH 3.11Å |
| 863 | K | 59.3 | Low | 53.6 | Low | 149 Ų | 149 | 91.8 Ų | 91.8 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -84.5 | -49.3 | -174.5 | -147.6 | 177.1 | -175.6 | -172.9 | 0 | 111.1 | R859 S860 R866 L867 | R859-K863 PolarHBondContact O-N 2.83Å; S860-K863 CarbonylContact O-C 3.55Å; S860-K863 WeakPolarHBondContact O-CA 3.29Å; S860-K863 WeakPolarHBondContact O-CB 3.25Å; S860-K863 PolarHBondContact O-N 2.04Å; K863-R866 PolarHBondContact O-N 3.4Å; K863-L867 PolarHBondContact O-N 2.81Å; K863-L867 VanDerWaalsContact O-N 3.1Å |
| 864 | K | 53.9 | Low | 55.3 | Low | 43 Ų | 43 | 95.7 Ų | 95.7 | 19% | 0.187 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 172.4 | -67.8 | -158.7 | -90.5 | 137.4 | 0 | 112.6 | S860 R866 L867 Y868 D1507 I1509 | S860-K864 PolarHBondContact O-N 2.9Å; K864-R866 VanDerWaalsContact C-N 3.29Å; K864-R866 PolarHBondContact O-N 3.41Å; K864-L867 CarbonylContact O-C 3.52Å; K864-L867 WeakPolarHBondContact O-CB 3.31Å; K864-L867 PolarHBondContact O-N 2.83Å; K864-L867 VanDerWaalsContact O-N 3.15Å; K864-Y868 WeakPolarHBondContact O-CB 3.46Å; K864-Y868 PolarHBondContact O-N 3.33Å; K864-D1507 HydrophobicContact CB-CB 3.9Å; K864-D1507 WeakPolarHBondContact CB-O 2.98Å; K864-D1507 WeakPolarHBondContact CB-OD2 3.34Å; K864-D1507 WeakPolarHBondContact CE-O 3.5Å; K864-D1507 VanDerWaalsContact NZ-CG 3.32Å; K864-D1507 PolarHBondContact NZ-O 2.99Å; K864-D1507 IonicContact NZ-OD1 2.66Å; K864-D1507 PolarHBondContact NZ-OD1 2.84Å; K864-D1507 IonicContact NZ-OD2 3.17Å; K864-I1509 VanDerWaalsContact NZ-CD1 3.29Å; K864-I1509 VanDerWaalsContact NZ-CG1 3.33Å |
| 865 | R | 55.5 | Low | 56.3 | Low | 45 Ų | 45 | 101 Ų | 101 | 17% | 0.17 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -46.6 | -50.7 | 164.5 | -93.4 | -179.7 | -178.8 | 173.2 | 8.4 | 113.2 | M861 Y868 T869 V1504 T1505 Y1506 | M861-R865 VanDerWaalsContact O-CB 3.26Å; M861-R865 WeakPolarHBondContact O-CB 3.48Å; M861-R865 WeakPolarHBondContact O-CG 3.35Å; M861-R865 PolarHBondContact O-N 2.74Å; R865-Y868 PolarHBondContact O-N 3.12Å; R865-T869 WeakPolarHBondContact O-CG2 3.44Å; R865-T869 PolarHBondContact O-N 3.28Å; R865-T869 PolarHBondContact O-OG1 3.49Å; R865-V1504 VanDerWaalsContact CZ-CB 3.42Å; R865-V1504 PolarHBondContact NH2-O 3.03Å; R865-T1505 WeakPolarHBondContact CD-O 3.46Å; R865-T1505 WeakPolarHBondContact CG-O 3.35Å; R865-T1505 PolarHBondContact NE-O 2.79Å; R865-Y1506 VanDerWaalsContact NE-CD1 3.31Å; R865-Y1506 VanDerWaalsContact NH1-CD1 3.26Å; R865-Y1506 VanDerWaalsContact NH2-N 3.17Å |
| 866 | R | 59.2 | Low | 57.3 | Low | 188 Ų | 188 | 100.7 Ų | 100.7 | 71% | 0.709 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -42.2 | -177.9 | -77.4 | 174.3 | 173.6 | -172.2 | -3.1 | 111.3 | R862 K863 K864 T869 Q870 | R862-R866 WeakPolarHBondContact O-CG 3.24Å; R862-R866 PolarHBondContact O-N 2.78Å; K863-R866 PolarHBondContact O-N 3.4Å; K864-R866 VanDerWaalsContact C-N 3.29Å; K864-R866 PolarHBondContact O-N 3.41Å; R866-T869 WeakPolarHBondContact CA-OG1 3.39Å; R866-T869 PolarHBondContact O-N 3.38Å; R866-T869 PolarHBondContact O-OG1 3.04Å; R866-Q870 WeakPolarHBondContact O-CG 3.06Å; R866-Q870 PolarHBondContact O-N 2.04Å |
| 867 | L | 65.8 | Low | 58.2 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 49% | 0.492 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 171.3 | -91.2 | 154.4 | 0 | 0 | 0 | 112.1 | K863 K864 T869 Q870 L871 | K863-L867 PolarHBondContact O-N 2.81Å; K863-L867 VanDerWaalsContact O-N 3.1Å; K864-L867 CarbonylContact O-C 3.52Å; K864-L867 WeakPolarHBondContact O-CB 3.31Å; K864-L867 PolarHBondContact O-N 2.83Å; K864-L867 VanDerWaalsContact O-N 3.15Å; L867-T869 PolarHBondContact O-N 2.86Å; L867-Q870 CarbonylContact O-C 3.46Å; L867-Q870 PolarHBondContact O-N 2.95Å; L867-L871 PolarHBondContact O-N 2.99Å |
| 868 | Y | 50 | Low | 59.2 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 31% | 0.314 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 177.9 | -152.5 | -76 | 0 | 0 | 0 | 111.4 | Q441 T442 K864 R865 Q870 L871 Q872 | Q441-Y868 HydrophobicContact CB-CE1 4.39Å; Q441-Y868 HydrophobicContact CG-CE1 4.44Å; Q441-Y868 PolarHBondContact O-OH 2.75Å; T442-Y868 HydrophobicContact CG2-CE2 4.41Å; K864-Y868 WeakPolarHBondContact O-CB 3.46Å; K864-Y868 PolarHBondContact O-N 3.33Å; R865-Y868 PolarHBondContact O-N 3.12Å; Y868-Q870 VanDerWaalsContact C-N 3.28Å; Y868-Q870 PolarHBondContact O-N 3.45Å; Y868-L871 PolarHBondContact O-N 3.16Å; Y868-Q872 WeakPolarHBondContact O-CB 3.49Å; Y868-Q872 PolarHBondContact O-N 2.84Å |
| 869 | T | 65.6 | Low | 59.2 | Low | 74 Ų | 74 | 104.7 Ų | 104.7 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -22 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | R865 R866 L867 R873 | R865-T869 WeakPolarHBondContact O-CG2 3.44Å; R865-T869 PolarHBondContact O-N 3.28Å; R865-T869 PolarHBondContact O-OG1 3.49Å; R866-T869 WeakPolarHBondContact CA-OG1 3.39Å; R866-T869 PolarHBondContact O-N 3.38Å; R866-T869 PolarHBondContact O-OG1 3.04Å; L867-T869 PolarHBondContact O-N 2.86Å; T869-R873 WeakPolarHBondContact O-CB 3.48Å; T869-R873 WeakPolarHBondContact O-CD 3.44Å; T869-R873 WeakPolarHBondContact O-CG 3.04Å; T869-R873 PolarHBondContact O-N 2.61Å |
| 870 | Q | 66.4 | Low | 59.3 | Low | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -84.2 | -36.9 | 172.7 | -77.1 | -170.6 | -12 | 0 | 0 | 112.2 | R866 L867 Y868 R874 | R866-Q870 WeakPolarHBondContact O-CG 3.06Å; R866-Q870 PolarHBondContact O-N 2.04Å; L867-Q870 CarbonylContact O-C 3.46Å; L867-Q870 PolarHBondContact O-N 2.95Å; Y868-Q870 VanDerWaalsContact C-N 3.28Å; Y868-Q870 PolarHBondContact O-N 3.45Å; Q870-R874 WeakPolarHBondContact O-CB 3.34Å; Q870-R874 WeakPolarHBondContact O-CG 3.33Å; Q870-R874 PolarHBondContact O-N 3.32Å |
| 871 | L | 68.1 | Low | 59.2 | Low | 67 Ų | 67 | 101.4 Ų | 101.4 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 173.5 | -76.9 | 166.1 | 0 | 0 | 0 | 111.1 | L867 Y868 R873 R874 Q875 | L867-L871 PolarHBondContact O-N 2.99Å; Y868-L871 PolarHBondContact O-N 3.16Å; L871-R873 PolarHBondContact O-N 3.16Å; L871-R874 WeakPolarHBondContact O-CA 3.48Å; L871-R874 WeakPolarHBondContact O-CB 3.29Å; L871-R874 PolarHBondContact O-N 3.12Å; L871-Q875 PolarHBondContact O-N 3.3Å |
| 872 | Q | 72.2 | Confident | 59.1 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 177 | -173.9 | 169.9 | -26 | 0 | 0 | 111.6 | Y868 R874 Q875 E876 | Y868-Q872 WeakPolarHBondContact O-CB 3.49Å; Y868-Q872 PolarHBondContact O-N 2.84Å; Q872-R874 VanDerWaalsContact C-N 3.29Å; Q872-R874 PolarHBondContact O-N 3.23Å; Q872-Q875 PolarHBondContact O-N 2.78Å; Q872-E876 HydrophobicContact CG-CG 4.47Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.42Å; Q872-E876 PolarHBondContact NE2-OE1 2.88Å; Q872-E876 WeakPolarHBondContact O-CB 3.2Å; Q872-E876 WeakPolarHBondContact O-CG 3.47Å; Q872-E876 PolarHBondContact O-N 3.5Å |
| 873 | R | 67.6 | Low | 58.5 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -33.6 | 171.6 | -76.2 | 175.6 | -169.9 | -168.6 | 3.3 | 113.2 | T869 L871 I877 | T869-R873 WeakPolarHBondContact O-CB 3.48Å; T869-R873 WeakPolarHBondContact O-CD 3.44Å; T869-R873 WeakPolarHBondContact O-CG 3.04Å; T869-R873 PolarHBondContact O-N 2.61Å; L871-R873 PolarHBondContact O-N 3.16Å; R873-I877 VanDerWaalsContact O-CB 3.31Å; R873-I877 WeakPolarHBondContact O-CB 3.47Å; R873-I877 WeakPolarHBondContact O-CD1 3.15Å; R873-I877 WeakPolarHBondContact O-CG1 3.25Å; R873-I877 PolarHBondContact O-N 3.39Å |
| 874 | R | 67 | Low | 57.5 | Low | 160 Ų | 160 | 108.3 Ų | 108.3 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.8 | -39.3 | 174.9 | -79.4 | 179.5 | 174.1 | -162.1 | -2.1 | 112.1 | Q870 L871 Q872 I877 Q878 | Q870-R874 WeakPolarHBondContact O-CB 3.34Å; Q870-R874 WeakPolarHBondContact O-CG 3.33Å; Q870-R874 PolarHBondContact O-N 3.32Å; L871-R874 WeakPolarHBondContact O-CA 3.48Å; L871-R874 WeakPolarHBondContact O-CB 3.29Å; L871-R874 PolarHBondContact O-N 3.12Å; Q872-R874 VanDerWaalsContact C-N 3.29Å; Q872-R874 PolarHBondContact O-N 3.23Å; R874-I877 PolarHBondContact O-N 2.95Å; R874-Q878 WeakPolarHBondContact O-CB 3.37Å; R874-Q878 WeakPolarHBondContact O-CG 3.46Å; R874-Q878 PolarHBondContact O-N 3.21Å |
| 875 | Q | 58.1 | Low | 56.4 | Low | 131 Ų | 131 | 113.1 Ų | 113.1 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 173.1 | -72.1 | 177.8 | -25.1 | 0 | 0 | 111.6 | L871 Q872 Q878 S879 | L871-Q875 PolarHBondContact O-N 3.3Å; Q872-Q875 PolarHBondContact O-N 2.78Å; Q875-Q878 PolarHBondContact O-N 2.96Å; Q875-S879 WeakPolarHBondContact O-CB 3.29Å; Q875-S879 PolarHBondContact O-N 2.62Å; Q875-S879 PolarHBondContact O-OG 2.72Å |
| 876 | E | 67.8 | Low | 55.3 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 41% | 0.407 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.8 | -47.8 | 172.5 | -74.4 | 165.1 | -173.9 | 0 | 0 | 110.9 | Q872 Q878 S879 L880 | Q872-E876 HydrophobicContact CG-CG 4.47Å; Q872-E876 WeakPolarHBondContact CG-OE1 3.42Å; Q872-E876 PolarHBondContact NE2-OE1 2.88Å; Q872-E876 WeakPolarHBondContact O-CB 3.2Å; Q872-E876 WeakPolarHBondContact O-CG 3.47Å; Q872-E876 PolarHBondContact O-N 3.5Å; E876-Q878 PolarHBondContact O-N 2.91Å; E876-S879 PolarHBondContact O-N 2.96Å; E876-S879 PolarHBondContact O-OG 2.65Å; E876-L880 WeakPolarHBondContact O-CB 3.23Å; E876-L880 WeakPolarHBondContact O-CG 3.24Å; E876-L880 PolarHBondContact O-N 3.45Å |
| 877 | I | 62.9 | Low | 53.9 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 57% | 0.569 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.9 | -37.9 | 176.5 | -71.7 | 166.1 | 0 | 0 | 0 | 112.2 | R873 R874 L880 S881 | R873-I877 VanDerWaalsContact O-CB 3.31Å; R873-I877 WeakPolarHBondContact O-CB 3.47Å; R873-I877 WeakPolarHBondContact O-CD1 3.15Å; R873-I877 WeakPolarHBondContact O-CG1 3.25Å; R873-I877 PolarHBondContact O-N 3.39Å; R874-I877 PolarHBondContact O-N 2.95Å; I877-L880 PolarHBondContact O-N 3.49Å; I877-S881 PolarHBondContact O-N 3.07Å; I877-S881 PolarHBondContact O-OG 3.32Å |
| 878 | Q | 58 | Low | 52.1 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.7 | -38.2 | 173.9 | -78.4 | 177.9 | -28.1 | 0 | 0 | 112.3 | R874 Q875 E876 L880 S881 Q882 | R874-Q878 WeakPolarHBondContact O-CB 3.37Å; R874-Q878 WeakPolarHBondContact O-CG 3.46Å; R874-Q878 PolarHBondContact O-N 3.21Å; Q875-Q878 PolarHBondContact O-N 2.96Å; E876-Q878 PolarHBondContact O-N 2.91Å; Q878-L880 VanDerWaalsContact C-N 3.28Å; Q878-L880 PolarHBondContact O-N 2.76Å; Q878-S881 WeakPolarHBondContact CA-OG 3.13Å; Q878-S881 PolarHBondContact O-N 3.09Å; Q878-S881 PolarHBondContact O-OG 3.18Å; Q878-Q882 PolarHBondContact O-N 3.48Å |
| 879 | S | 46.3 | Very low | 51 | Low | 68 Ų | 68 | 122.4 Ų | 122.4 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.1 | -28.3 | 174.3 | 79.5 | 0 | 0 | 0 | 0 | 112.7 | Q875 E876 R883 | Q875-S879 WeakPolarHBondContact O-CB 3.29Å; Q875-S879 PolarHBondContact O-N 2.62Å; Q875-S879 PolarHBondContact O-OG 2.72Å; E876-S879 PolarHBondContact O-N 2.96Å; E876-S879 PolarHBondContact O-OG 2.65Å; S879-R883 PolarHBondContact O-N 3.25Å |
| 880 | L | 53 | Low | 49.3 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.6 | -40.1 | 171.2 | -81.1 | 159.4 | 0 | 0 | 0 | 111.8 | E876 I877 Q878 Q882 R883 G884 | E876-L880 WeakPolarHBondContact O-CB 3.23Å; E876-L880 WeakPolarHBondContact O-CG 3.24Å; E876-L880 PolarHBondContact O-N 3.45Å; I877-L880 PolarHBondContact O-N 3.49Å; Q878-L880 VanDerWaalsContact C-N 3.28Å; Q878-L880 PolarHBondContact O-N 2.76Å; L880-Q882 PolarHBondContact O-N 3.41Å; L880-R883 CarbonylContact O-C 2.94Å; L880-R883 VanDerWaalsContact O-C 3.3Å; L880-R883 WeakPolarHBondContact O-CA 3.5Å; L880-R883 PolarHBondContact O-N 2.94Å; L880-G884 PolarHBondContact O-N 3.37Å |
| 881 | S | 47.8 | Very low | 47.3 | Very low | 55 Ų | 55 | 121.5 Ų | 121.5 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.2 | -34.2 | 177.1 | 64 | 0 | 0 | 0 | 0 | 112.4 | I877 Q878 R883 G884 L885 | I877-S881 PolarHBondContact O-N 3.07Å; I877-S881 PolarHBondContact O-OG 3.32Å; Q878-S881 WeakPolarHBondContact CA-OG 3.13Å; Q878-S881 PolarHBondContact O-N 3.09Å; Q878-S881 PolarHBondContact O-OG 3.18Å; S881-R883 PolarHBondContact O-N 3.13Å; S881-G884 PolarHBondContact O-N 3.17Å; S881-L885 PolarHBondContact O-N 3.43Å |
| 882 | Q | 43.1 | Very low | 45.4 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -4.4 | 170.2 | -72 | -173.1 | -20.2 | 0 | 0 | 114 | Q878 L880 | Q878-Q882 PolarHBondContact O-N 3.48Å; L880-Q882 PolarHBondContact O-N 3.41Å |
| 883 | R | 41 | Very low | 43.3 | Very low | 232 Ų | 232 | 131.1 Ų | 131.1 | 88% | 0.875 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 10.3 | 170 | -74.7 | -177.9 | 166.7 | 177.3 | -3 | 113.4 | S879 L880 S881 | S879-R883 PolarHBondContact O-N 3.25Å; L880-R883 CarbonylContact O-C 2.94Å; L880-R883 VanDerWaalsContact O-C 3.3Å; L880-R883 WeakPolarHBondContact O-CA 3.5Å; L880-R883 PolarHBondContact O-N 2.94Å; S881-R883 PolarHBondContact O-N 3.13Å |
| 884 | G | 37.5 | Very low | 41.4 | Very low | 57 Ų | 57 | 126.8 Ų | 126.8 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 4.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | L880 S881 | L880-G884 PolarHBondContact O-N 3.37Å; S881-G884 PolarHBondContact O-N 3.17Å |
| 885 | L | 31.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -132 | 59.4 | -177.4 | -77 | 171.7 | 0 | 0 | 0 | 112.6 | S881 | S881-L885 PolarHBondContact O-N 3.43Š|
| 886 | L | 31.7 | Very low | 38.2 | Very low | 171 Ų | 171 | 125 Ų | 125 | 90% | 0.895 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -165 | 40.2 | 146.8 | -113.5 | 175.2 | 0 | 0 | 0 | 114 | ||
| 887 | E | 31.3 | Very low | 36.4 | Very low | 200 Ų | 200 | 127.2 Ų | 127.2 | 94% | 0.935 | 72% | 0.723 | S | S | * | * | trans | -147.7 | 74.5 | 170.4 | -149 | 167.9 | -124.3 | 0 | 0 | 111.2 | ||||
| 888 | S | 26.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -139.6 | 53.4 | -173.2 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 889 | S | 27.4 | Very low | 33.6 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -164.8 | 123.4 | 169.8 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||
| 890 | G | 29.5 | Very low | 32.9 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 68.8 | 95.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 891 | S | 25.5 | Very low | 32 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | 51.6 | 73 | 41.7 | 86.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 892 | F | 27.2 | Very low | 31.2 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | -172.6 | 159.1 | 115.3 | -113.6 | -131.8 | 0 | 0 | 0 | 114.7 | |||||
| 893 | L | 28.4 | Very low | 30.5 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -34.7 | 156.2 | -175.4 | -70.1 | 77.9 | 0 | 0 | 0 | 119.3 | ||||
| 894 | G | 28.5 | Very low | 30 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 178.5 | 39.3 | 156 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 895 | K | 30 | Very low | 29.7 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 16.6 | 114.4 | 154.2 | -75.7 | -178.2 | 174.7 | 179.8 | 0 | 120 | L1352 | K895-L1352 PolarHBondContact NZ-O 3.19Š| ||
| 896 | S | 27.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 53.6 | 144.9 | 125.6 | 67.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 897 | T | 30.9 | Very low | 29.5 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | cis | -165.5 | 166.6 | 6.6 | 7.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 898 | P | 31.4 | Very low | 29.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | -107.9 | 158.5 | -168.4 | 39.9 | -33.6 | 0 | 0 | 0 | 116.7 | ||||
| 899 | Q | 30.4 | Very low | 29.8 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -142.3 | 123.5 | 153.1 | -70.5 | -164.4 | 8.6 | 0 | 0 | 106.9 | ||||
| 900 | L | 30.5 | Very low | 30.1 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | 71.7 | 138 | 76.1 | -78.8 | 161.3 | 0 | 0 | 0 | 113.5 | |||||
| 901 | P | 34.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | -134.4 | -165.8 | -61.5 | 38.1 | -21.3 | 0 | 0 | 0 | 113.1 | |||||
| 902 | N | 30.7 | Very low | 30.9 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 82.1 | 114.1 | 161.7 | -70.3 | -18 | 0 | 0 | 0 | 120.7 | ||||
| 903 | N | 28.4 | Very low | 31.2 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 78.3 | 136.1 | 131.8 | -70.2 | -25.8 | 0 | 0 | 0 | 122.4 | ||||
| 904 | R | 31 | Very low | 31.5 | Very low | 212 Ų | 212 | 129.7 Ų | 129.7 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 82.6 | 136 | 148.6 | -80.7 | 178.8 | -175.1 | -174.8 | 0.6 | 120.3 | ||||
| 905 | H | 30.6 | Very low | 31.7 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | trans | 61.7 | 109.1 | 152 | -60.6 | -45.2 | 0 | 0 | 0 | 116.1 | ||||
| 906 | L | 30.7 | Very low | 32 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | 96.4 | 143.1 | 83.4 | -88.5 | 169.2 | 0 | 0 | 0 | 111.8 | |||||
| 907 | M | 29.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 64% | 0.635 | 75% | 0.749 | S | S | * | * | trans | -24.9 | 140.2 | 172.6 | -70.6 | 175.6 | 165.5 | 0 | 0 | 118.8 | I1600 | M907-I1600 HydrophobicContact CE-CD1 3.76Š| ||
| 908 | T | 32.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 62.7 | 107.3 | 136.3 | 60.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 909 | S | 30.8 | Very low | 32.9 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | 59 | 119.1 | 127.5 | 65.1 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 910 | S | 33.6 | Very low | 33.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | 82.9 | 118.3 | 126.1 | 69.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 911 | N | 35.9 | Very low | 33.4 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | 106.4 | 109.7 | 138.6 | -60.3 | -14.6 | 0 | 0 | 0 | 119.8 | ||||
| 912 | N | 35.3 | Very low | 33.2 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 84.8 | 99.1 | 139 | -58 | -7.7 | 0 | 0 | 0 | 120.4 | ||||
| 913 | S | 34.1 | Very low | 33.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | 54.9 | 116.6 | 132.1 | 61 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 914 | G | 33.5 | Very low | 33.2 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 173.9 | 52.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 915 | L | 33.1 | Very low | 33.3 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | 39.8 | 104 | 142.8 | -158.5 | 75.4 | 0 | 0 | 0 | 121.6 | ||||
| 916 | L | 36.3 | Very low | 33.3 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 73.8 | 129.4 | 139.7 | -63.5 | 175.6 | 0 | 0 | 0 | 124.5 | ||||
| 917 | T | 37.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 80.6 | 106.1 | 134.3 | 52 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 918 | N | 35.2 | Very low | 33.2 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | 84.1 | 122.3 | 117.7 | -73.2 | 49.4 | 0 | 0 | 0 | 123.9 | |||||
| 919 | D | 37.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | 85.3 | 102.5 | 121.9 | -64.7 | -7.9 | 0 | 0 | 0 | 123.8 | |||||
| 920 | N | 36 | Very low | 33.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 103.8 | 140.4 | 107.5 | -85.1 | -39.6 | 0 | 0 | 0 | 123.8 | |||||
| 921 | V | 35 | Very low | 33.2 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | 78.3 | 100.6 | 144.8 | 171.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 922 | S | 29.3 | Very low | 33.2 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | 34.7 | 139.8 | 121 | -41.3 | 0 | 0 | 0 | 0 | 122 | |||||
| 923 | R | 32.9 | Very low | 33.5 | Very low | 232 Ų | 232 | 122 Ų | 122 | 88% | 0.875 | 72% | 0.716 | S | S | * | * | 162.7 | 145.8 | 96.9 | -159.8 | 173.2 | -138.6 | -174.2 | 4.7 | 113.3 | |||||
| 924 | F | 28.1 | Very low | 33.5 | Very low | 208 Ų | 208 | 123 Ų | 123 | 91% | 0.912 | 71% | 0.709 | S | S | * | * | trans | -13.1 | 142.1 | 168.9 | -68.6 | -106.7 | 0 | 0 | 0 | 121.1 | ||||
| 925 | G | 33 | Very low | 33.6 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -171 | 153.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 926 | T | 29.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 83% | 0.828 | 70% | 0.696 | S | S | * | * | trans | -134.3 | 172 | -173.5 | 57.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 927 | T | 29 | Very low | 33.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | trans | 89.9 | 150.1 | 157.4 | -10.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 928 | A | 29.7 | Very low | 33.6 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -90.5 | -176.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 929 | E | 30.2 | Very low | 34 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | cis | -162.3 | -175 | 39.2 | -102.1 | -141 | 114.6 | 0 | 0 | 113.4 | ||||
| 930 | P | 39.5 | Very low | 34.3 | Very low | 51 Ų | 51 | 122.8 Ų | 122.8 | 33% | 0.331 | 72% | 0.716 | S | S | . | * | trans | -130.4 | 173.9 | -166.2 | 17.4 | 10.3 | 0 | 0 | 0 | 118.6 | S1622 | P930-S1622 WeakPolarHBondContact CD-OG 3.05Å; P930-S1622 WeakPolarHBondContact CG-OG 3.39Å | ||
| 931 | S | 28.8 | Very low | 34.5 | Very low | 57 Ų | 57 | 121.7 Ų | 121.7 | 40% | 0.399 | 72% | 0.716 | S | S | . | * | trans | -154.7 | 108.8 | 174 | -49.8 | 0 | 0 | 0 | 0 | 120.2 | K1621 H1623 | S931-K1621 WeakPolarHBondContact O-CB 3.31Å; S931-K1621 WeakPolarHBondContact O-CD 3.44Å; S931-K1621 WeakPolarHBondContact O-CE 3.08Å; S931-K1621 WeakPolarHBondContact O-CG 3.5Å; S931-K1621 PolarHBondContact O-NZ 3.04Å; S931-H1623 PolarHBondContact OG-NE2 2.69Å | ||
| 932 | L | 34.5 | Very low | 34.7 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 41% | 0.408 | 72% | 0.717 | S | S | . | * | trans | -50.6 | -127.5 | -166 | -93.1 | 174.8 | 0 | 0 | 0 | 120.6 | K1621 S1622 | L932-K1621 WeakPolarHBondContact CD2-O 3.32Å; L932-K1621 PolarHBondContact O-NZ 3.26Å; L932-S1622 WeakPolarHBondContact CA-O 3.35Å; L932-S1622 WeakPolarHBondContact CB-O 3.36Å; L932-S1622 WeakPolarHBondContact CD1-O 2.87Å; L932-S1622 WeakPolarHBondContact CG-O 2.91Å; L932-S1622 PolarHBondContact N-O 2.73Å | ||
| 933 | P | 41.3 | Very low | 35.1 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 67% | 0.669 | 71% | 0.713 | S | S | * | * | -110.9 | -145.9 | -71.1 | 22 | -2.2 | 0 | 0 | 0 | 113.9 | |||||
| 934 | M | 34.7 | Very low | 35.7 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | cis | -173.5 | 149.8 | 14.1 | -144 | 170 | 46.9 | 0 | 0 | 115.3 | ||||
| 935 | I | 35.1 | Very low | 36.4 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | 76.1 | 163 | 136.5 | -104.6 | 178.6 | 0 | 0 | 0 | 121.6 | ||||
| 936 | P | 38 | Very low | 36.9 | Very low | 98 Ų | 98 | 112 Ų | 112 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | cis | -152.5 | -178.5 | -18 | 46.3 | -27.4 | 0 | 0 | 0 | 121.8 | ||||
| 937 | I | 36.5 | Very low | 37.7 | Very low | 154 Ų | 154 | 113.5 Ų | 113.5 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | 70.3 | 127.8 | 150.5 | 34 | 165.6 | 0 | 0 | 0 | 130.2 | ||||
| 938 | S | 33.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | trans | 77.4 | 148.9 | 135.6 | 74.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 939 | S | 43.7 | Very low | 38.9 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | cis | -149.1 | -176.1 | 15.3 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 940 | S | 41.9 | Very low | 39.5 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -155.3 | 164.9 | 179.2 | -45.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 941 | P | 42.2 | Very low | 39.6 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | -165.6 | 177.2 | 93.2 | 41.9 | -20.5 | 0 | 0 | 0 | 119.9 | |||||
| 942 | S | 38.7 | Very low | 39.7 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | 67.7 | 150.6 | 145 | 63.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 943 | S | 38.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | cis | -169.4 | 178.6 | -13.2 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 944 | T | 43.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 121 Ų | 121 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | 75.3 | 140.7 | 171.3 | 70.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 945 | S | 43.5 | Very low | 38.2 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | cis | -167.2 | 142.1 | -19.3 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 946 | S | 43.3 | Very low | 38 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | 66.1 | 145 | 156.5 | 77.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 947 | L | 45.1 | Very low | 37.4 | Very low | 166 Ų | 166 | 120.9 Ų | 120.9 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | cis | -151.1 | 158 | -8.9 | -91.9 | 138.2 | 0 | 0 | 0 | 104.8 | ||||
| 948 | S | 43.7 | Very low | 37.6 | Very low | 86 Ų | 86 | 117.5 Ų | 117.5 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | cis | -157.1 | 141.2 | 3.3 | 150.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 949 | N | 40.7 | Very low | 38.1 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 83% | 0.834 | 68% | 0.676 | S | S | * | * | trans | 18.3 | 127 | 149.9 | -44.7 | -16 | 0 | 0 | 0 | 117.8 | ||||
| 950 | K | 42.8 | Very low | 37.8 | Very low | 180 Ų | 180 | 119.2 Ų | 119.2 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | cis | -139.2 | 146.7 | 32.6 | -170.5 | -169 | 175.6 | -168 | 0 | 111.3 | ||||
| 951 | E | 42.1 | Very low | 37.6 | Very low | 161 Ų | 161 | 118.5 Ų | 118.5 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -80.9 | -176.4 | 175.7 | -65.1 | 176.3 | 108.4 | 0 | 0 | 113.2 | ||||
| 952 | E | 31 | Very low | 37 | Very low | 64 Ų | 64 | 119.3 Ų | 119.3 | 30% | 0.299 | 65% | 0.647 | S | S | . | * | trans | 86.3 | 124.2 | 158.3 | -49.9 | -175.7 | 113 | 0 | 0 | 118.4 | H955 W1630 S1631 N1632 | E952-H955 PolarHBondContact O-CD2 2.98Å; E952-W1630 HydrophobicContact CB-CB 4.3Å; E952-W1630 HydrophobicContact CG-CB 3.83Å; E952-W1630 VanDerWaalsContact OE1-CB 3.31Å; E952-W1630 WeakPolarHBondContact OE1-CB 3.48Å; E952-S1631 WeakPolarHBondContact CB-O 3.42Å; E952-S1631 VanDerWaalsContact CD-C 3.48Å; E952-S1631 WeakPolarHBondContact OE1-CA 3.18Å; E952-S1631 WeakPolarHBondContact OE1-CB 3.22Å; E952-S1631 PolarHBondContact OE1-N 3.09Å; E952-S1631 PolarHBondContact OE1-OG 3.23Å; E952-S1631 PolarHBondContact OE2-OG 3.12Å; E952-N1632 WeakPolarHBondContact OE2-CB 3.4Å; E952-N1632 PolarHBondContact OE2-N 3.41Å | ||
| 953 | L | 27.5 | Very low | 36.9 | Very low | 65 Ų | 65 | 119 Ų | 119 | 34% | 0.34 | 64% | 0.64 | S | S | . | * | S | Bend | trans | 55 | 140.5 | 167.9 | -141 | 72.8 | 0 | 0 | 0 | 118.1 | H955 L1629 W1630 | L953-H955 WeakPolarHBondContact O-CB 3.29Å; L953-H955 PolarHBondContact O-CD2 3.35Å; L953-H955 PolarHBondContact O-N 2.87Å; L953-H955 VanDerWaalsContact O-N 3.11Å; L953-L1629 VanDerWaalsContact CD1-N 3.35Å; L953-W1630 WeakPolarHBondContact CB-O 3.2Å; L953-W1630 VanDerWaalsContact CD1-O 3.3Å; L953-W1630 WeakPolarHBondContact CD1-O 3.2Å |
| 954 | N | 26.8 | Very low | 36.6 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | trans | 45 | -110.6 | 165.5 | -60.8 | -50 | 0 | 0 | 0 | 114.1 | ||||
| 955 | H | 23.9 | Very low | 36.2 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 57% | 0.569 | 64% | 0.643 | S | S | * | * | cis | -126.1 | 51.2 | -3.7 | -104.5 | -52.2 | 0 | 0 | 0 | 111.6 | E952 L953 | E952-H955 PolarHBondContact O-CD2 2.98Å; L953-H955 WeakPolarHBondContact O-CB 3.29Å; L953-H955 PolarHBondContact O-CD2 3.35Å; L953-H955 PolarHBondContact O-N 2.87Å; L953-H955 VanDerWaalsContact O-N 3.11Å | ||
| 956 | Q | 31 | Very low | 35.6 | Very low | 131 Ų | 131 | 130 Ų | 130 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | trans | 61.3 | 93.5 | 142.5 | -157.7 | 168.2 | 25.6 | 0 | 0 | 117.4 | S1104 | Q956-S1104 PolarHBondContact O-OG 2.97Š| ||
| 957 | H | 25.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 129 Ų | 129 | 57% | 0.569 | 65% | 0.646 | S | S | * | * | trans | -165.1 | 139.1 | -150.3 | -113.4 | 23.6 | 0 | 0 | 0 | 111.6 | L1103 | H957-L1103 HydrophobicContact CB-CB 3.77Å; H957-L1103 HydrophobicContact CB-CD2 3.46Å; H957-L1103 VanDerWaalsContact CB-CD2 3.46Å; H957-L1103 HydrophobicContact CB-CG 4.15Å; H957-L1103 WeakPolarHBondContact ND1-CB 3.18Å | ||
| 958 | P | 41.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | trans | -133.2 | 125 | 161.7 | 34.9 | -19.7 | 0 | 0 | 0 | 115.4 | L1103 | P958-L1103 VanDerWaalsContact C-CG 3.41Å; P958-L1103 WeakPolarHBondContact O-CA 3.12Å; P958-L1103 WeakPolarHBondContact O-CG 3.22Å | ||
| 959 | Y | 44.9 | Very low | 33.5 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 69% | 0.69 | 65% | 0.647 | S | S | * | * | trans | 129.7 | 92.1 | 174.5 | -87.1 | -68.4 | 0 | 0 | 0 | 112.5 | Y1101 L1103 | Y959-Y1101 WeakPolarHBondContact O-CA 3.38Å; Y959-L1103 VanDerWaalsContact N-CD2 3.26Å; Y959-L1103 WeakPolarHBondContact O-CD1 3Å; Y959-L1103 WeakPolarHBondContact O-CD2 3.32Å; Y959-L1103 WeakPolarHBondContact O-CG 3.43Å | ||
| 960 | S | 36 | Very low | 33 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | trans | -164.4 | 145.5 | 173.7 | -164 | 0 | 0 | 0 | 0 | 115.4 | Y1101 | S960-Y1101 WeakPolarHBondContact OG-CD1 3.45Å; S960-Y1101 VanDerWaalsContact OG-CE1 3.29Å; S960-Y1101 WeakPolarHBondContact OG-CE1 3.33Å | ||
| 961 | N | 38.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 127 Ų | 127 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | trans | -77.4 | 166.5 | 154.5 | -59.2 | -9.3 | 0 | 0 | 0 | 111.1 | Y1101 | N961-Y1101 HydrophobicContact CB-CE1 4.32Å; N961-Y1101 WeakPolarHBondContact CB-OH 3.34Å; N961-Y1101 VanDerWaalsContact N-CE1 3.35Å; N961-Y1101 PolarHBondContact ND2-OH 3.49Å | ||
| 962 | H | 29 | Very low | 32.3 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | -179.1 | 140.4 | 100.8 | -95.1 | -81.8 | 0 | 0 | 0 | 108.2 | Y1101 | H962-Y1101 PolarHBondContact NE2-OH 2.8Š| |||
| 963 | V | 37.4 | Very low | 32.6 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 62% | 0.618 | 67% | 0.666 | S | S | * | * | 53.7 | 122.7 | 75.2 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 964 | F | 31.9 | Very low | 32.9 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 74% | 0.737 | 69% | 0.686 | S | S | * | * | -169.4 | 168.6 | 84.4 | -87.8 | -81.4 | 0 | 0 | 0 | 109.1 | |||||
| 965 | L | 34 | Very low | 33.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -129.1 | 167.1 | 9.2 | -56 | 152.5 | 0 | 0 | 0 | 107.9 | ||
| 966 | R | 31.4 | Very low | 33.6 | Very low | 237 Ų | 237 | 136.6 Ų | 136.6 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | cis | -135.2 | 168.8 | 7.6 | -84.3 | 179.5 | 166.7 | 148.3 | -6 | 106.7 | ||||
| 967 | S | 25.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | cis | 159.1 | 146.6 | -14.4 | -173.1 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 968 | E | 31.8 | Very low | 34 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 70.8 | 142.3 | 168.7 | -72.2 | -171.5 | -107.1 | 0 | 0 | 118.4 | ||||
| 969 | R | 30.8 | Very low | 33.4 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | cis | -169 | 139.6 | -8.7 | 179 | 156.8 | 177.1 | 173.9 | -0.2 | 114.3 | ||||
| 970 | S | 30.7 | Very low | 32.4 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 64.8 | 130.6 | 145.9 | -172.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 971 | G | 33.2 | Very low | 31.9 | Very low | 70 Ų | 70 | 144.8 Ų | 144.8 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 84.5 | 104.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 972 | S | 37 | Very low | 31.2 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | cis | 79.2 | 77.3 | 35.8 | -169.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 973 | E | 36 | Very low | 31.1 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | -155.1 | 146.9 | 150.4 | -116.3 | -171.6 | -136.4 | 0 | 0 | 111.8 | ||||
| 974 | R | 33.3 | Very low | 30.8 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | trans | 36.8 | 90.7 | 155.7 | -64 | 167.4 | 168.9 | 132.3 | -5.2 | 116.8 | ||||
| 975 | T | 38.3 | Very low | 30.6 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | cis | 65.2 | 132.7 | 48 | 77.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 976 | Q | 27.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | 63 | 111.6 | -141.7 | -63.4 | -162.4 | 11.8 | 0 | 0 | 112.1 | ||||
| 977 | Q | 38.4 | Very low | 30.1 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | 67 | 132.1 | 101.3 | -70.4 | -167.3 | -5.1 | 0 | 0 | 116.4 | |||||
| 978 | S | 27.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | 77.5 | 116.4 | 151.6 | -154.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 979 | T | 29.5 | Very low | 29.9 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 73.4 | 158.6 | 141.3 | -50.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 980 | R | 23.9 | Very low | 29.8 | Very low | 234 Ų | 234 | 131.1 Ų | 131.1 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | 79.8 | 136 | 178.5 | -49.8 | -178.1 | 177.1 | 165.8 | -0.2 | 112.9 | ||||
| 981 | T | 24.3 | Very low | 29.6 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | S | Bend | cis | -127.8 | 137.7 | 18.9 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 982 | L | 24.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | S | Bend | -157.8 | 131.7 | 61.2 | -176.9 | 73.4 | 0 | 0 | 0 | 111.5 | |||
| 983 | I | 27.1 | Very low | 29 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 57.4 | 126.8 | 161 | -66.8 | 169.5 | 0 | 0 | 0 | 116.9 | ||||
| 984 | T | 29.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | cis | -158.4 | 174.1 | -7.7 | -95.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 985 | A | 28.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 125 Ų | 125 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | -34.7 | 151.6 | 161 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 986 | T | 26.8 | Very low | 27.5 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | cis | -171.6 | 170.5 | 8.4 | 4.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 987 | N | 27.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | trans | 62.4 | 128.2 | 143.2 | -66.7 | -7.9 | 0 | 0 | 0 | 121 | ||||
| 988 | N | 28.6 | Very low | 26.6 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | 65.6 | 144.3 | 130.8 | -58.7 | -6.7 | 0 | 0 | 0 | 119.5 | ||||
| 989 | S | 26.1 | Very low | 26.5 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | cis | -169.8 | -173 | -15.6 | 59.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 990 | S | 27.2 | Very low | 26.4 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | 62.1 | 103.6 | 148.5 | -55.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 991 | N | 26.9 | Very low | 26.5 | Very low | 149 Ų | 149 | 116.5 Ų | 116.5 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | 84.4 | 138.1 | 72.2 | -76 | -27.3 | 0 | 0 | 0 | 115 | |||||
| 992 | S | 26.3 | Very low | 26.7 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | 63.6 | -162 | 148.9 | 80.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 993 | G | 30.6 | Very low | 26.8 | Very low | 39 Ų | 39 | 115 Ų | 115 | 40% | 0.402 | 68% | 0.682 | S | S | . | * | trans | 63.6 | 69.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1071 | G993-R1071 PolarHBondContact O-NH1 3.11Å; G993-R1071 PolarHBondContact O-NH2 3.12Å | ||
| 994 | I | 26.1 | Very low | 26.8 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 68% | 0.677 | 68% | 0.682 | S | S | * | * | 58.6 | 160.6 | 72.4 | -51.6 | 166.9 | 0 | 0 | 0 | 111.6 | R1071 | I994-R1071 PolarHBondContact O-NH1 3.14Š| |||
| 995 | V | 26.2 | Very low | 26.7 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 56% | 0.564 | 68% | 0.675 | S | S | * | * | trans | 76.1 | 119.3 | -175.2 | -162.1 | 0 | 0 | 0 | 0 | 109.8 | R1071 | V995-R1071 PolarHBondContact O-NH1 3.09Š| ||
| 996 | S | 25 | Very low | 26.8 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | 67.9 | 141.1 | 61.2 | -45.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 997 | A | 23.6 | Very low | 26.7 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | cis | 65.1 | 143.7 | 42.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 998 | L | 23.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | 75.6 | 111.2 | -166.6 | -50.6 | 177.1 | 0 | 0 | 0 | 111.6 | ||||
| 999 | Y | 24.9 | Very low | 26.6 | Very low | 206 Ų | 206 | 114.5 Ų | 114.5 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | 95.7 | 120 | 89 | -93.4 | -141.7 | 0 | 0 | 0 | 109.7 | |||||
| 1000 | A | 27.2 | Very low | 26.6 | Very low | 75 Ų | 75 | 120 Ų | 120 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | 80 | -175.1 | 89.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1001 | N | 25.4 | Very low | 26.7 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | 67.5 | 143.7 | 177.8 | -69.6 | 51.7 | 0 | 0 | 0 | 114.1 | ||||
| 1002 | D | 28 | Very low | 26.7 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | cis | -153.4 | 162.5 | -3.8 | -99.6 | -27.2 | 0 | 0 | 0 | 109.6 | ||||
| 1003 | D | 28.2 | Very low | 26.7 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | 61.8 | 154 | 144.3 | -70.4 | -23.2 | 0 | 0 | 0 | 120.9 | ||||
| 1004 | Q | 26.8 | Very low | 26.7 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | cis | -154 | 162 | -16.7 | -126.4 | 163.2 | 52.2 | 0 | 0 | 111.8 | ||||
| 1005 | A | 26.9 | Very low | 26.7 | Very low | 71 Ų | 71 | 130.1 Ų | 130.1 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | trans | -14 | 133.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1006 | N | 30.3 | Very low | 27 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | 175.9 | 149.7 | 92.6 | -89.3 | -60 | 0 | 0 | 0 | 113.8 | |||||
| 1007 | S | 24.2 | Very low | 27.2 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 147 | 172.1 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1008 | P | 29.8 | Very low | 27.5 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | -120.7 | 144.2 | 90.4 | -1.2 | 22.3 | 0 | 0 | 0 | 112.2 | |||||
| 1009 | I | 26.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | cis | 83.9 | 114.8 | 48.8 | -64.8 | 165.5 | 0 | 0 | 0 | 113 | ||||
| 1010 | Y | 25.8 | Very low | 27.8 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 82% | 0.82 | 71% | 0.706 | S | S | * | * | trans | 71.4 | 152.4 | 163.7 | -72.2 | -160.7 | 0 | 0 | 0 | 116.4 | ||||
| 1011 | T | 28.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.693 | 71% | 0.708 | S | S | * | * | cis | -156.2 | 151 | -4.6 | 20.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1012 | K | 27.4 | Very low | 28.4 | Very low | 174 Ų | 174 | 132 Ų | 132 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | cis | 113.5 | 91.9 | 18.2 | -172.7 | -172.8 | 179.9 | 179.5 | 0 | 112.6 | ||||
| 1013 | Y | 26.5 | Very low | 28.4 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | 68 | 161 | 160.8 | -67 | -111 | 0 | 0 | 0 | 115.2 | M1015 | Y1013-M1015 HydrophobicContact CD1-CG 4.31Š| ||
| 1014 | P | 30.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | cis | -88.4 | 157.5 | 35.8 | -7 | 28.4 | 0 | 0 | 0 | 114.6 | ||||
| 1015 | M | 26.6 | Very low | 28.7 | Very low | 142 Ų | 142 | 132 Ų | 132 | 70% | 0.7 | 70% | 0.703 | S | S | * | * | 67 | 132.5 | 54.7 | -51.9 | -174 | -59.9 | 0 | 0 | 113.5 | Y1013 | Y1013-M1015 HydrophobicContact CD1-CG 4.31Š| |||
| 1016 | N | 31.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | cis | -127.1 | 164.6 | 10.4 | -57.1 | -86.2 | 0 | 0 | 0 | 109.7 | ||||
| 1017 | L | 28.6 | Very low | 28.8 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | cis | 61.5 | 151.5 | 40.9 | -118.7 | 78 | 0 | 0 | 0 | 113.8 | ||||
| 1018 | P | 29.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 70% | 0.7 | S | S | * | * | cis | -103.5 | -158 | -19.7 | 35.1 | -16 | 0 | 0 | 0 | 109.3 | ||||
| 1019 | S | 26.6 | Very low | 28.7 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | cis | -165.5 | 159.2 | 20.8 | -153.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1020 | N | 27.9 | Very low | 28.7 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | trans | 16.6 | 135.8 | 138.5 | -62.4 | 8.3 | 0 | 0 | 0 | 118.1 | ||||
| 1021 | N | 30.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | cis | -170.7 | 164.2 | 14.2 | -100.4 | -9.5 | 0 | 0 | 0 | 106.4 | ||||
| 1022 | N | 35.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 71% | 0.708 | S | S | * | * | cis | -148.2 | 168.4 | 5.5 | -132.5 | -20.3 | 0 | 0 | 0 | 110.7 | ||||
| 1023 | S | 28.5 | Very low | 28.5 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | trans | -44.3 | 145.7 | 153.3 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1024 | N | 30.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | -174.9 | 171.2 | 66.6 | -108.2 | -45 | 0 | 0 | 0 | 110.6 | |||||
| 1025 | R | 29.4 | Very low | 28.7 | Very low | 199 Ų | 199 | 130.6 Ų | 130.6 | 75% | 0.751 | 71% | 0.71 | S | S | * | * | trans | 38.7 | 143.3 | 133.7 | -61.5 | -175.3 | 154.2 | 142.3 | -3 | 120.7 | ||||
| 1026 | D | 30.9 | Very low | 29 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | cis | -167.6 | 175.6 | -2.9 | -106.5 | -19.9 | 0 | 0 | 0 | 108.1 | ||||
| 1027 | N | 27.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | trans | 25.5 | 120 | 138.3 | -55.4 | -35 | 0 | 0 | 0 | 120.6 | ||||
| 1028 | I | 28 | Very low | 29.1 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | 62.5 | 95.8 | 118 | -57.6 | 163.7 | 0 | 0 | 0 | 117 | |||||
| 1029 | S | 25.3 | Very low | 29.2 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | 65.1 | 174.1 | 122.7 | -50.8 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1030 | S | 25.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | 79.1 | 101.1 | 151.3 | -57.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1031 | A | 24.5 | Very low | 29.4 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | trans | 77.6 | 164.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1032 | I | 29.1 | Very low | 29.3 | Very low | 164 Ų | 164 | 127 Ų | 127 | 84% | 0.841 | 70% | 0.695 | S | S | * | * | cis | -136 | 149.8 | 30.3 | -69.4 | 165.8 | 0 | 0 | 0 | 112.9 | ||||
| 1033 | Y | 25.2 | Very low | 29.1 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -61.2 | 159.9 | 175.4 | -82 | -88.1 | 0 | 0 | 0 | 113.5 | ||||
| 1034 | P | 32.7 | Very low | 29 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | -115 | 146.4 | 87.7 | 37.7 | -37.3 | 0 | 0 | 0 | 111 | |||||
| 1035 | K | 28.4 | Very low | 28.8 | Very low | 171 Ų | 171 | 131 Ų | 131 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | 60.5 | 131 | 54.1 | -79.9 | -169.5 | 172.3 | -178.3 | 0 | 111.9 | |||||
| 1036 | T | 31.6 | Very low | 28.7 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | cis | -157.6 | 150.2 | 10.1 | 15.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1037 | N | 30.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | 53.4 | 144.3 | 140.6 | -49.6 | 6.6 | 0 | 0 | 0 | 119.1 | ||||
| 1038 | S | 32.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | cis | -114.9 | 136.9 | 17.5 | 49.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1039 | N | 31.8 | Very low | 28.7 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | 48.4 | 123.5 | 95.9 | -48.2 | 12.6 | 0 | 0 | 0 | 112.8 | |||||
| 1040 | I | 30.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 128 Ų | 128 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | cis | -137.5 | 141.3 | 9.4 | -60.5 | 177.1 | 0 | 0 | 0 | 107.5 | ||||
| 1041 | Q | 29.3 | Very low | 29 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | cis | 81.4 | 72.7 | 1.5 | -47.2 | -175.4 | -106.2 | 0 | 0 | 117.6 | I1043 | Q1041-I1043 HydrophobicContact CB-CD1 4.49Š| ||
| 1042 | S | 27.6 | Very low | 29.3 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | -137.3 | 139.1 | 95.8 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1043 | I | 31.9 | Very low | 29.5 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 53% | 0.533 | 69% | 0.693 | S | S | . | * | cis | 67.6 | 103.9 | 49.4 | -59 | 165.5 | 0 | 0 | 0 | 107.6 | Q1041 W1045 | Q1041-I1043 HydrophobicContact CB-CD1 4.49Å; I1043-W1045 HydrophobicContact CG2-CB 4.43Å; I1043-W1045 HydrophobicContact CG2-CG 4.28Å | ||
| 1044 | S | 27.1 | Very low | 29.7 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | cis | 56 | 179.5 | 30.9 | 80.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1045 | W | 26.4 | Very low | 29.6 | Very low | 210 Ų | 210 | 133.8 Ų | 133.8 | 80% | 0.795 | 70% | 0.698 | S | S | * | * | trans | 62.6 | 170 | -171.8 | -41.9 | 61.6 | 0 | 0 | 0 | 111.2 | I1043 | I1043-W1045 HydrophobicContact CG2-CB 4.43Å; I1043-W1045 HydrophobicContact CG2-CG 4.28Å | ||
| 1046 | I | 27.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | cis | -118.1 | 124.1 | -10.9 | -75.2 | 87.8 | 0 | 0 | 0 | 103.5 | V1048 | I1046-V1048 HydrophobicContact CG2-CG2 3.88Š| ||
| 1047 | N | 27.6 | Very low | 29.2 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | 64.3 | 174.8 | 65.1 | -161.2 | 19.2 | 0 | 0 | 0 | 113.4 | |||||
| 1048 | V | 30 | Very low | 29.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | trans | 80.5 | 94.3 | -177 | -169.9 | 0 | 0 | 0 | 0 | 113.9 | I1046 | I1046-V1048 HydrophobicContact CG2-CG2 3.88Š| ||
| 1049 | N | 27.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | 41.1 | 138.6 | 116.1 | -69 | 60.8 | 0 | 0 | 0 | 119.3 | |||||
| 1050 | D | 29.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | cis | -153 | 165.6 | 23.5 | -104.7 | -32.6 | 0 | 0 | 0 | 113 | ||||
| 1051 | N | 28.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | trans | 30.8 | 100.6 | 148.9 | -49.6 | -37 | 0 | 0 | 0 | 118.8 | ||||
| 1052 | D | 31.3 | Very low | 28.4 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | 173.6 | 154.5 | 91.5 | -99.8 | -25.1 | 0 | 0 | 0 | 114.7 | |||||
| 1053 | L | 32.4 | Very low | 28.3 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | 66.1 | 154.2 | 164.5 | -65.7 | 160.7 | 0 | 0 | 0 | 118.3 | ||||
| 1054 | P | 29.2 | Very low | 28.1 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 62% | 0.617 | 72% | 0.723 | S | S | * | * | trans | -121.7 | 141.9 | -152.8 | 37.7 | -22.7 | 0 | 0 | 0 | 115.6 | K1056 | P1054-K1056 VanDerWaalsContact C-N 3.34Å; P1054-K1056 HydrophobicContact CB-CB 4.32Å | ||
| 1055 | W | 29.7 | Very low | 28.1 | Very low | 273 Ų | 273 | 144.5 Ų | 144.5 | 100% | 1.034 | 73% | 0.732 | S | S | * | * | trans | -103.9 | 38 | 161.1 | -60.5 | 66.1 | 0 | 0 | 0 | 110.2 | ||||
| 1056 | K | 25 | Very low | 28.1 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -93.1 | 123 | 172.6 | -103.4 | -168.9 | 173.1 | -179.2 | 0 | 110.3 | P1054 T1058 | P1054-K1056 VanDerWaalsContact C-N 3.34Å; P1054-K1056 HydrophobicContact CB-CB 4.32Å; K1056-T1058 WeakPolarHBondContact CG-OG1 3.23Å | ||
| 1057 | F | 27.1 | Very low | 28.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -149.1 | 91.7 | 147.2 | -84.9 | -77.9 | 0 | 0 | 0 | 106.5 | P1060 | F1057-P1060 HydrophobicContact CE1-CG 4.34Š| ||
| 1058 | T | 30.4 | Very low | 28.3 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 53% | 0.528 | 73% | 0.728 | S | S | . | * | cis | 45.1 | 95 | 38.3 | -41 | 0 | 0 | 0 | 0 | 111.6 | K1056 P1060 | K1056-T1058 WeakPolarHBondContact CG-OG1 3.23Å; T1058-P1060 WeakPolarHBondContact O-CD 3.48Å | ||
| 1059 | P | 25.2 | Very low | 28.3 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -77 | 129.9 | -173.7 | 29.9 | -34 | 0 | 0 | 0 | 112.2 | S1061 | P1059-S1061 PolarHBondContact O-N 3.26Š| ||
| 1060 | P | 29.3 | Very low | 28.6 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | -74.1 | 109.7 | 151.6 | -3 | 22 | 0 | 0 | 0 | 106.8 | F1057 T1058 | F1057-P1060 HydrophobicContact CE1-CG 4.34Å; T1058-P1060 WeakPolarHBondContact O-CD 3.48Å | ||
| 1061 | S | 26.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | 54.2 | 99 | 84.1 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | P1059 | P1059-S1061 PolarHBondContact O-N 3.26Š| |||
| 1062 | R | 26.1 | Very low | 28.9 | Very low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | 31 | 132.8 | 124.5 | -83.9 | -175.6 | 172 | -172.9 | -2.6 | 118.9 | |||||
| 1063 | N | 25.8 | Very low | 28.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | 97.9 | 157.9 | 149.9 | -54 | -19.3 | 0 | 0 | 0 | 118.4 | ||||
| 1064 | S | 28.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | 70.3 | 96.3 | 168.3 | -56 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1065 | F | 26.2 | Very low | 28.7 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | 68.6 | 100.4 | 75.7 | -86.3 | -93.9 | 0 | 0 | 0 | 116.3 | |||||
| 1066 | S | 25.9 | Very low | 28.9 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | 72.3 | 148.2 | 128.3 | 73.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1067 | N | 29.2 | Very low | 29.1 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | trans | 79.2 | 149.7 | 156.6 | -55.3 | -36 | 0 | 0 | 0 | 119.3 | ||||
| 1068 | G | 30.6 | Very low | 29.2 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | trans | 83.9 | 68.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1069 | I | 30.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | cis | 68.1 | 127.5 | 43.7 | -66.8 | 178.4 | 0 | 0 | 0 | 114.5 | ||||
| 1070 | R | 33.4 | Very low | 29.3 | Very low | 180 Ų | 180 | 138 Ų | 138 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | trans | 100.2 | 115.6 | 158.7 | -80.5 | 153.5 | -154.3 | -109 | -1.5 | 121 | ||||
| 1071 | R | 32.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 44% | 0.438 | 73% | 0.725 | S | S | . | * | trans | 78.7 | 144.3 | 134.5 | -66.8 | 165 | 179.8 | 174.5 | -11.8 | 116.8 | G993 I994 V995 | G993-R1071 PolarHBondContact O-NH1 3.11Å; G993-R1071 PolarHBondContact O-NH2 3.12Å; I994-R1071 PolarHBondContact O-NH1 3.14Å; V995-R1071 PolarHBondContact O-NH1 3.09Å | ||
| 1072 | L | 32.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | cis | -119 | 135.4 | 4.2 | -65.3 | 164.2 | 0 | 0 | 0 | 108.5 | ||||
| 1073 | S | 28.8 | Very low | 29.9 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | 50.9 | 131.2 | 61.6 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1074 | S | 27.7 | Very low | 30.3 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | cis | -166.4 | 171.8 | 1.3 | 36.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1075 | F | 32.3 | Very low | 30.4 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 77% | 0.768 | 73% | 0.73 | S | S | * | * | -166.9 | 118.5 | 96.1 | -112.8 | -126.8 | 0 | 0 | 0 | 109.4 | |||||
| 1076 | F | 33.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | trans | 53.5 | 115.8 | 161.1 | -58.3 | -84.5 | 0 | 0 | 0 | 118.7 | ||||
| 1077 | R | 28 | Very low | 30.8 | Very low | 223 Ų | 223 | 137 Ų | 137 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | 54.4 | 118.4 | 59.6 | -57.6 | -176.4 | 168.9 | -150.3 | -2.3 | 112 | |||||
| 1078 | S | 30.1 | Very low | 30.9 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | -175.4 | 140.3 | 83.8 | -83.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1079 | F | 30 | Very low | 30.6 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 40.3 | 118.7 | 148.7 | -65 | -96.9 | 0 | 0 | 0 | 120.1 | ||||
| 1080 | N | 28.9 | Very low | 30.3 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | 62.3 | 104.7 | 68.2 | -70.8 | -17.1 | 0 | 0 | 0 | 115.5 | |||||
| 1081 | Q | 32.6 | Very low | 29.9 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | 167.8 | 114.9 | 119.7 | -90 | 170.5 | 21.1 | 0 | 0 | 115.2 | |||||
| 1082 | S | 31.1 | Very low | 29.9 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | 49 | 126.5 | 140.5 | 61.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1083 | N | 31.1 | Very low | 29.7 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | 76.6 | 125.9 | 137.6 | -56.8 | -6.2 | 0 | 0 | 0 | 122.1 | ||||
| 1084 | G | 33 | Very low | 29.7 | Very low | 81 Ų | 81 | 146.7 Ų | 146.7 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 150.9 | 156.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1085 | S | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -150 | 166.3 | -173.7 | 64.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1086 | F | 30.1 | Very low | 30 | Very low | 185 Ų | 185 | 148 Ų | 148 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 140.5 | 167.2 | -84.1 | -76.9 | 0 | 0 | 0 | 122.1 | ||||
| 1087 | T | 30.9 | Very low | 30.1 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 54.2 | 143.3 | 175.5 | 60.1 | 0 | 0 | 0 | 0 | 117 | P1089 | T1087-P1089 WeakPolarHBondContact O-CD 3.36Å; T1087-P1089 WeakPolarHBondContact O-CG 3.32Å; T1087-P1089 VanDerWaalsContact O-N 3.11Å |
| 1088 | P | 31.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -67 | 111.1 | -164.3 | 25.5 | -35.1 | 0 | 0 | 0 | 112.7 | ||||
| 1089 | P | 24.6 | Very low | 30.3 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -85.4 | 168.2 | 169.4 | 1.7 | 21.6 | 0 | 0 | 0 | 108.9 | T1087 | T1087-P1089 WeakPolarHBondContact O-CD 3.36Å; T1087-P1089 WeakPolarHBondContact O-CG 3.32Å; T1087-P1089 VanDerWaalsContact O-N 3.11Å | ||
| 1090 | R | 24.9 | Very low | 30.2 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -63.6 | 163 | 165.6 | -59.9 | 163.4 | -174.2 | 153.1 | 3.9 | 109.6 | Q1092 | R1090-Q1092 HydrophobicContact CB-CB 4.28Å; R1090-Q1092 HydrophobicContact CB-CG 4Å; R1090-Q1092 PolarHBondContact O-N 3.3Å | ||
| 1091 | Y | 24.9 | Very low | 30 | Very low | 249 Ų | 249 | 137.1 Ų | 137.1 | 98% | 0.976 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -64.6 | 82.6 | 147.6 | -110.9 | -82 | 0 | 0 | 0 | 109 | ||
| 1092 | Q | 31.1 | Very low | 29.9 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | trans | -138.5 | 138.5 | 165.4 | -74.3 | -166.2 | -64.8 | 0 | 0 | 108.6 | R1090 | R1090-Q1092 HydrophobicContact CB-CB 4.28Å; R1090-Q1092 HydrophobicContact CB-CG 4Å; R1090-Q1092 PolarHBondContact O-N 3.3Å | ||
| 1093 | S | 28.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -65.4 | 150.5 | -165 | -177.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1094 | N | 28.5 | Very low | 29.4 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | -29.1 | 131 | 166.9 | -57.3 | -14.4 | 0 | 0 | 0 | 116.5 | ||||
| 1095 | N | 32.4 | Very low | 29 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -164.8 | 103.3 | 130.3 | -101.5 | -24.4 | 0 | 0 | 0 | 107.5 | ||||
| 1096 | H | 35.1 | Very low | 28.8 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | 78.4 | 112.7 | 88.5 | -95 | -36.1 | 0 | 0 | 0 | 115.6 | |||||
| 1097 | N | 34.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | trans | 85 | 105.4 | 135.5 | -54.5 | -12.7 | 0 | 0 | 0 | 121.4 | ||||
| 1098 | N | 29.8 | Very low | 28.3 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | 80.6 | 154.2 | 128 | -57.7 | -12.3 | 0 | 0 | 0 | 121.2 | |||||
| 1099 | N | 32.2 | Very low | 27.9 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | 71.5 | 111.5 | -179.7 | -49.5 | -29.9 | 0 | 0 | 0 | 113.1 | ||||
| 1100 | S | 27.7 | Very low | 28 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | cis | 76.5 | 142.9 | 46 | -157.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1101 | Y | 26.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 131 Ų | 131 | 38% | 0.38 | 67% | 0.666 | S | S | . | * | trans | 61.9 | 152.1 | -165.3 | -39 | -79.2 | 0 | 0 | 0 | 113.7 | Y959 S960 N961 H962 | Y959-Y1101 WeakPolarHBondContact O-CA 3.38Å; S960-Y1101 WeakPolarHBondContact OG-CD1 3.45Å; S960-Y1101 VanDerWaalsContact OG-CE1 3.29Å; S960-Y1101 WeakPolarHBondContact OG-CE1 3.33Å; N961-Y1101 HydrophobicContact CB-CE1 4.32Å; N961-Y1101 WeakPolarHBondContact CB-OH 3.34Å; N961-Y1101 VanDerWaalsContact N-CE1 3.35Å; N961-Y1101 PolarHBondContact ND2-OH 3.49Å; H962-Y1101 PolarHBondContact NE2-OH 2.8Å | ||
| 1102 | G | 29.7 | Very low | 27.8 | Very low | 53 Ų | 53 | 123.1 Ų | 123.1 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | trans | 155.6 | 36.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1103 | L | 24.9 | Very low | 27.5 | Very low | 45 Ų | 45 | 121.3 Ų | 121.3 | 24% | 0.236 | 65% | 0.65 | C | S | . | * | trans | -75.4 | 130.3 | -168.4 | -43.7 | 94.7 | 0 | 0 | 0 | 111.6 | H957 P958 Y959 | H957-L1103 HydrophobicContact CB-CB 3.77Å; H957-L1103 HydrophobicContact CB-CD2 3.46Å; H957-L1103 VanDerWaalsContact CB-CD2 3.46Å; H957-L1103 HydrophobicContact CB-CG 4.15Å; H957-L1103 WeakPolarHBondContact ND1-CB 3.18Å; P958-L1103 VanDerWaalsContact C-CG 3.41Å; P958-L1103 WeakPolarHBondContact O-CA 3.12Å; P958-L1103 WeakPolarHBondContact O-CG 3.22Å; Y959-L1103 VanDerWaalsContact N-CD2 3.26Å; Y959-L1103 WeakPolarHBondContact O-CD1 3Å; Y959-L1103 WeakPolarHBondContact O-CD2 3.32Å; Y959-L1103 WeakPolarHBondContact O-CG 3.43Å | ||
| 1104 | S | 25.9 | Very low | 27.2 | Very low | 48 Ų | 48 | 120 Ų | 120 | 34% | 0.336 | 64% | 0.641 | S | S | . | * | trans | 82.5 | 142.6 | 158.8 | -77.4 | 0 | 0 | 0 | 0 | 122.3 | Q956 | Q956-S1104 PolarHBondContact O-OG 2.97Š| ||
| 1105 | Y | 24.8 | Very low | 27 | Very low | 168 Ų | 168 | 122 Ų | 122 | 66% | 0.659 | 64% | 0.643 | S | S | * | * | trans | 32.8 | 117.2 | 154.3 | -49.4 | -59.6 | 0 | 0 | 0 | 121.1 | ||||
| 1106 | K | 25.5 | Very low | 26.7 | Very low | 205 Ų | 205 | 121.1 Ų | 121.1 | 89% | 0.891 | 64% | 0.639 | S | S | * | * | -154.8 | 125.5 | 92.2 | -108.4 | 164.2 | -172.8 | 171.2 | 0 | 114.9 | |||||
| 1107 | K | 28.3 | Very low | 26.3 | Very low | 191 Ų | 191 | 119.5 Ų | 119.5 | 83% | 0.83 | 64% | 0.639 | S | S | * | * | trans | -64.8 | 160.9 | 156.1 | 176.6 | -178.7 | 179.1 | -178.2 | 0 | 108.9 | ||||
| 1108 | S | 22.3 | Very low | 26.1 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | trans | 73.9 | 160.1 | 175.5 | 89.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1109 | S | 23.7 | Very low | 26.1 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | cis | -150.7 | 156.4 | 4.5 | 83.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1110 | L | 25.5 | Very low | 26 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | trans | 56.8 | -149.5 | 156.2 | -59.1 | 172.6 | 0 | 0 | 0 | 110.8 | ||||
| 1111 | R | 24.4 | Very low | 26.3 | Very low | 206 Ų | 206 | 124.9 Ų | 124.9 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | -119 | 114.8 | -58.1 | -123.7 | 155.2 | 177.9 | 168.6 | -3 | 102.9 | |||||
| 1112 | S | 23 | Very low | 26.8 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | 75.7 | 158.1 | 92.5 | 77.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1113 | S | 23.1 | Very low | 26.6 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | trans | 61 | -175 | 145.1 | 66.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1114 | S | 23.3 | Very low | 26.8 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | trans | 60.2 | 77.4 | 159.8 | 28.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1115 | F | 25 | Very low | 27.1 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | 66.6 | 142.5 | 79.6 | -85.4 | -73.5 | 0 | 0 | 0 | 113.2 | |||||
| 1116 | N | 25.8 | Very low | 27.1 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 71.1 | 154 | 145.6 | -69.6 | -18.8 | 0 | 0 | 0 | 115.6 | ||||
| 1117 | T | 27.1 | Very low | 27.5 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | cis | -146.4 | 160.3 | 8.2 | -19.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1118 | S | 29.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | trans | 82 | 140.1 | 134.5 | 72.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1119 | R | 29.7 | Very low | 27.8 | Very low | 210 Ų | 210 | 130.6 Ų | 130.6 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | cis | -154.9 | 149 | -4.6 | -128.4 | 175.2 | 163.5 | 155.4 | -8 | 111.7 | ||||
| 1120 | T | 29.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | trans | 26 | 133.7 | 141 | 53.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1121 | E | 33.9 | Very low | 28.2 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | -142.5 | 141.8 | 64.9 | -91.2 | 168.2 | -167.6 | 0 | 0 | 117.5 | |||||
| 1122 | I | 37 | Very low | 28.4 | Very low | 143 Ų | 143 | 129 Ų | 129 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 66.1 | 104.7 | 146.6 | -58.2 | 163.4 | 0 | 0 | 0 | 118 | ||||
| 1123 | M | 25.5 | Very low | 28.7 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -77.1 | 158.6 | 149.2 | -58.7 | 173.8 | 71.9 | 0 | 0 | 109.4 | ||||
| 1124 | P | 30.9 | Very low | 29.1 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | -143.4 | 159.6 | 100.5 | 39.4 | -27.6 | 0 | 0 | 0 | 116 | |||||
| 1125 | S | 30.8 | Very low | 29.3 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 48.4 | 122.6 | 148.8 | 58.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1126 | M | 24.3 | Very low | 29.5 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 140.3 | 149.8 | -71.2 | 157.4 | 54.1 | 0 | 0 | 111.7 | V1128 | M1126-V1128 HydrophobicContact CE-CG2 3.96Š|
| 1127 | P | 35.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 128.1 | 143 | 32.7 | -26.5 | 0 | 0 | 0 | 110.1 | ||
| 1128 | V | 29.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 163.6 | 169 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | M1126 | M1126-V1128 HydrophobicContact CE-CG2 3.96Š|
| 1129 | L | 27.9 | Very low | 29.5 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | trans | -33.5 | 141 | -179 | -77.3 | 66.9 | 0 | 0 | 0 | 116.4 | T1131 | L1129-T1131 PolarHBondContact O-N 2.9Š| ||
| 1130 | P | 30.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -83.5 | 88.5 | 145.5 | 33.6 | -28.7 | 0 | 0 | 0 | 110.1 | F1132 | P1130-F1132 PolarHBondContact O-N 3.14Š| ||
| 1131 | T | 26.7 | Very low | 29.5 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 59% | 0.589 | 71% | 0.714 | S | S | * | * | trans | -65.4 | 122 | 171.4 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | L1129 | L1129-T1131 PolarHBondContact O-N 2.9Š| ||
| 1132 | F | 28.7 | Very low | 29.2 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | trans | -106.6 | 91.4 | 171.5 | -91.6 | -78.3 | 0 | 0 | 0 | 111.7 | P1130 | P1130-F1132 PolarHBondContact O-N 3.14Š| ||
| 1133 | N | 30 | Very low | 28.8 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -75 | 137.9 | 167 | -76.2 | -25 | 0 | 0 | 0 | 111.1 | ||||
| 1134 | Y | 30.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 125.9 Ų | 125.9 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -135.5 | 100.6 | 137.1 | -91 | -86.8 | 0 | 0 | 0 | 106.5 | ||||
| 1135 | L | 28.5 | Very low | 28.6 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | 71.3 | 91.6 | 73.8 | -79.7 | 158.3 | 0 | 0 | 0 | 114.3 | |||||
| 1136 | A | 28.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | -143.3 | 85.3 | 130.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1137 | T | 27.7 | Very low | 28.5 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | 59.1 | 94.4 | 107.7 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1138 | S | 27.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | 90.7 | 156.2 | 94.3 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1139 | N | 27.9 | Very low | 28.3 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | cis | -155.5 | 166.9 | 12.7 | -153.9 | 5.9 | 0 | 0 | 0 | 112.1 | ||||
| 1140 | N | 29.3 | Very low | 28.5 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | 61.3 | 131.6 | 150.3 | -77.5 | -9.2 | 0 | 0 | 0 | 122.3 | ||||
| 1141 | N | 28.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | 74.5 | 111.6 | 132.9 | -62.6 | -7.6 | 0 | 0 | 0 | 121.4 | ||||
| 1142 | N | 28.1 | Very low | 28.4 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | 64.4 | 134.6 | 116.8 | -56.1 | -11.7 | 0 | 0 | 0 | 121.1 | |||||
| 1143 | N | 28.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | 74.9 | 132.4 | 150.1 | -57.8 | -16 | 0 | 0 | 0 | 118.2 | ||||
| 1144 | N | 28 | Very low | 28.5 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | 41 | 121.6 | 128.6 | -51.6 | -11.4 | 0 | 0 | 0 | 119.6 | |||||
| 1145 | S | 25.1 | Very low | 28.3 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 64.4 | 120.4 | 131.3 | 66.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1146 | S | 26.2 | Very low | 28.6 | Very low | 87 Ų | 87 | 127 Ų | 127 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | 67.5 | 115.2 | 132.9 | 63.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1147 | N | 26.2 | Very low | 28.6 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | 72.9 | 178.5 | 141.2 | -54 | -19.3 | 0 | 0 | 0 | 117.3 | ||||
| 1148 | I | 32.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 80% | 0.795 | 72% | 0.72 | S | S | * | * | trans | 73.1 | 104 | 175.1 | -48.9 | 170 | 0 | 0 | 0 | 112.8 | ||||
| 1149 | V | 27.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | cis | 64.1 | 126.6 | 8.6 | -169.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1150 | P | 33.2 | Very low | 29 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | -135.8 | -139.4 | 4.4 | 27.7 | 0.4 | 0 | 0 | 0 | 113.1 | ||||
| 1151 | L | 27.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 76.3 | 104.5 | 168.9 | -82.5 | 71.2 | 0 | 0 | 0 | 116.9 | ||||
| 1152 | T | 26.7 | Very low | 29 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | 84.4 | 120.7 | 60.6 | 62.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 1153 | S | 28 | Very low | 29.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | -174.6 | 122.7 | 129.3 | 30.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1154 | H | 32.5 | Very low | 29.2 | Very low | 190 Ų | 190 | 132 Ų | 132 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | 77.4 | 123.9 | 139.6 | -56.5 | -14.2 | 0 | 0 | 0 | 123.5 | ||||
| 1155 | Y | 26.8 | Very low | 29.4 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | trans | -71 | 163 | 153.5 | -82.4 | -86 | 0 | 0 | 0 | 111.3 | V1157 | Y1155-V1157 HydrophobicContact CD1-CG2 3.69Å; Y1155-V1157 HydrophobicContact CE1-CG2 4.18Å; Y1155-V1157 HydrophobicContact CG-CG2 4.17Å | ||
| 1156 | P | 34.5 | Very low | 29.6 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | -120 | 161.4 | 81.1 | 0.3 | 22.1 | 0 | 0 | 0 | 112 | |||||
| 1157 | V | 29 | Very low | 29.9 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | cis | 61.8 | 86.1 | 16.1 | -171.8 | 0 | 0 | 0 | 0 | 115.3 | Y1155 | Y1155-V1157 HydrophobicContact CD1-CG2 3.69Å; Y1155-V1157 HydrophobicContact CE1-CG2 4.18Å; Y1155-V1157 HydrophobicContact CG-CG2 4.17Å | ||
| 1158 | D | 31.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | trans | 173.4 | 155.3 | 147.2 | -99.6 | 13.2 | 0 | 0 | 0 | 110.4 | ||||
| 1159 | K | 28.2 | Very low | 30 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | cis | -170.8 | 157 | -21.4 | -127.6 | -175.9 | -157.7 | 83.4 | 0 | 107.6 | ||||
| 1160 | Q | 30.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | trans | 64.8 | 163.4 | 154 | -61.3 | 169.3 | -30.3 | 0 | 0 | 116.8 | ||||
| 1161 | H | 27.8 | Very low | 29.9 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | cis | -158.3 | 170.4 | -31.1 | -116.2 | -54.7 | 0 | 0 | 0 | 108.6 | ||||
| 1162 | F | 31 | Very low | 30 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | trans | 70.1 | 134.7 | 164.7 | -46.7 | -56.5 | 0 | 0 | 0 | 116.8 | ||||
| 1163 | D | 31.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | cis | -152.9 | 164 | -13.1 | -133 | -37.7 | 0 | 0 | 0 | 114.8 | ||||
| 1164 | S | 28.8 | Very low | 30 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 50% | 0.503 | 75% | 0.752 | S | S | . | * | trans | -13.7 | 146.1 | 157.8 | -51.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1165 | F | 31.9 | Very low | 30 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | cis | -142.1 | 146 | 31.5 | -77.4 | -91.6 | 0 | 0 | 0 | 110.5 | ||||
| 1166 | R | 28.1 | Very low | 30 | Very low | 208 Ų | 208 | 144.1 Ų | 144.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | 54.3 | 132.7 | 74 | -74.4 | -173.6 | 174.3 | -164.9 | 0.8 | 113 | |||||
| 1167 | L | 33.4 | Very low | 29.9 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | cis | -157 | 150.6 | 10.1 | -105.2 | 154.4 | 0 | 0 | 0 | 112.4 | ||||
| 1168 | S | 31.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 30.8 | 116.4 | 145.4 | -56.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1169 | G | 29.3 | Very low | 29.8 | Very low | 77 Ų | 77 | 149.8 Ų | 149.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | 110.5 | 144.6 | 109.7 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 1170 | R | 31.4 | Very low | 29.9 | Very low | 251 Ų | 251 | 148.1 Ų | 148.1 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | trans | 61.1 | 101.1 | 171.2 | -69.1 | -175.4 | 172.4 | 179.1 | -3 | 117.6 | ||||
| 1171 | H | 27.4 | Very low | 29.6 | Very low | 192 Ų | 192 | 149 Ų | 149 | 89% | 0.889 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 175.3 | 151.1 | -78.3 | -101.2 | 0 | 0 | 0 | 111.4 | ||||
| 1172 | V | 28.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 83.7 | 91.8 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1173 | T | 29.4 | Very low | 29.4 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | -179 | 162.5 | 127.6 | 21.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1174 | H | 25.8 | Very low | 29.3 | Very low | 175 Ų | 175 | 148 Ų | 148 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -71.1 | 157.1 | 176.8 | -70.5 | -101.2 | 0 | 0 | 0 | 112.8 | ||||
| 1175 | P | 32.2 | Very low | 29.3 | Very low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -116.4 | 114.1 | 134.6 | 33.1 | -27.4 | 0 | 0 | 0 | 111.7 | ||||
| 1176 | L | 26.9 | Very low | 29.2 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 127.7 | 156.2 | -79.2 | 158.7 | 0 | 0 | 0 | 108.4 | ||||
| 1177 | I | 32.4 | Very low | 29.2 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -132.8 | 146.1 | 156.3 | -64.6 | -172.2 | 0 | 0 | 0 | 108.7 | ||||
| 1178 | Q | 27.7 | Very low | 29.1 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -102.4 | 175.1 | -161.6 | -98.3 | -174.4 | -73.2 | 0 | 0 | 114 | ||||
| 1179 | P | 32.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -98.1 | 163.8 | -157.3 | 38.5 | -37.9 | 0 | 0 | 0 | 116 | ||||
| 1180 | S | 29.1 | Very low | 29.5 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -156.3 | 153.2 | 158.8 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1181 | L | 25.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | cis | 63.2 | 53.9 | 0.9 | -95.3 | 179.5 | 0 | 0 | 0 | 117.2 | ||||
| 1182 | Q | 28.8 | Very low | 29.9 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -145.7 | 155.8 | 141.9 | -143 | 87.2 | 41.6 | 0 | 0 | 109.4 | ||||
| 1183 | S | 25.5 | Very low | 30 | Very low | 99 Ų | 99 | 150 Ų | 150 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -102 | -176.2 | 179.8 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1184 | V | 28.6 | Very low | 30.1 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 78.1 | 136 | 177.3 | -169.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1185 | S | 29.9 | Very low | 30.3 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | cis | -141.4 | 152.6 | 12.9 | 12 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1186 | E | 28.2 | Very low | 30.2 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | 16.4 | 145.5 | 119.9 | -56 | 176.5 | 147.6 | 0 | 0 | 118.6 | |||||
| 1187 | S | 29.6 | Very low | 30.4 | Very low | 93 Ų | 93 | 154.8 Ų | 154.8 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | cis | -163.1 | 161.9 | 28 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1188 | N | 31.5 | Very low | 30.3 | Very low | 146 Ų | 146 | 154.1 Ų | 154.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 149.7 | 157.1 | -52.9 | -20.1 | 0 | 0 | 0 | 117.5 | ||||
| 1189 | D | 33.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -152.6 | 175.8 | 15.4 | -146.7 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 1190 | L | 34.7 | Very low | 30.3 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 73.3 | 70.2 | 156.4 | -68.2 | 165.4 | 0 | 0 | 0 | 120.7 | ||||
| 1191 | H | 35.6 | Very low | 30.4 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 20.4 | 118.4 | 131.4 | -64.8 | -72.7 | 0 | 0 | 0 | 121.3 | ||||
| 1192 | R | 31.5 | Very low | 30.6 | Very low | 248 Ų | 248 | 152.3 Ų | 152.3 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | -160.4 | 132.6 | 118.4 | -118.4 | -178.8 | -177.9 | -151 | 2.1 | 114.8 | |||||
| 1193 | K | 31.4 | Very low | 30.6 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -19.7 | 124.8 | 170.9 | -52.5 | 174.1 | 174.7 | -173.9 | 0 | 117.6 | ||||
| 1194 | H | 32 | Very low | 30.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | -177.7 | 172.4 | 98.5 | -104 | -87.3 | 0 | 0 | 0 | 111.1 | |||||
| 1195 | H | 29.2 | Very low | 30.9 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -62.5 | 141.1 | 177.6 | -79.5 | -116.5 | 0 | 0 | 0 | 112.4 | ||||
| 1196 | Y | 30 | Very low | 30.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | -152.4 | 142.5 | 139.2 | -109.3 | -79 | 0 | 0 | 0 | 110.9 | ||||
| 1197 | I | 31.5 | Very low | 30.7 | Very low | 148 Ų | 148 | 150 Ų | 150 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | -119.5 | 109.8 | 160.1 | -64.6 | 174.5 | 0 | 0 | 0 | 104.7 | ||||
| 1198 | E | 30.5 | Very low | 30.8 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -90 | 132.2 | 176.7 | -55.6 | 177.2 | 142.1 | 0 | 0 | 109.3 | ||||
| 1199 | N | 29.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | cis | 53.9 | 81.4 | -18.6 | -78.9 | 8.1 | 0 | 0 | 0 | 120.2 | ||||
| 1200 | M | 30.3 | Very low | 30.4 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 67% | 0.665 | 74% | 0.74 | S | S | * | * | trans | -133.6 | 117.8 | 131.5 | -71.2 | -177.3 | -83.2 | 0 | 0 | 106.1 | ||||
| 1201 | W | 31 | Very low | 30.2 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | 72.3 | 122.5 | 51.4 | -63.3 | 44.6 | 0 | 0 | 0 | 111 | |||||
| 1202 | S | 30.5 | Very low | 30 | Very low | 87 Ų | 87 | 150.6 Ų | 150.6 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | cis | 91.9 | 123.8 | 25.9 | 80.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1203 | T | 28.6 | Very low | 30 | Very low | 61 Ų | 61 | 145.1 Ų | 145.1 | 37% | 0.374 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -124.9 | 94.6 | 169.1 | 43.6 | 0 | 0 | 0 | 0 | 111.4 | N203 D205 | N203-T1203 PolarHBondContact ND2-O 3.13Å; D205-T1203 WeakPolarHBondContact O-CG2 3.24Å |
| 1204 | Q | 29 | Very low | 29.8 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 58% | 0.584 | 72% | 0.716 | S | S | * | * | trans | 51.2 | 125.7 | 151.2 | -53 | -179.8 | 25 | 0 | 0 | 118.6 | ||||
| 1205 | T | 30.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | cis | 56.5 | 113.8 | 7.5 | 68.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1206 | V | 28.8 | Very low | 29.7 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -124.8 | 104.2 | 143.7 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1207 | K | 25.8 | Very low | 29.7 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -165.3 | 86 | 166.4 | -158 | 179.4 | -170.8 | -177.1 | 0 | 112.2 | ||||
| 1208 | P | 30.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | -77.5 | 136.1 | 162.6 | 32.3 | -30.8 | 0 | 0 | 0 | 109.2 | ||||
| 1209 | S | 29.6 | Very low | 29.9 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | cis | 91.5 | 112.7 | 26.4 | 81.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1210 | L | 27.8 | Very low | 30.2 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -122.7 | 127.8 | -179.3 | 170.4 | 155.7 | 0 | 0 | 0 | 108.2 | ||||
| 1211 | F | 29.7 | Very low | 30.4 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | trans | -162.8 | 134.3 | 174.3 | -102.3 | -66.8 | 0 | 0 | 0 | 114.2 | ||||
| 1212 | H | 32.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | 61.6 | 162.6 | 152.5 | -66.7 | -44 | 0 | 0 | 0 | 121.6 | ||||
| 1213 | Q | 30.1 | Very low | 30.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 62% | 0.621 | 70% | 0.7 | S | S | * | * | cis | -175.4 | 144.1 | -37.6 | -176.2 | 140.5 | -13.7 | 0 | 0 | 109.7 | ||||
| 1214 | D | 26.7 | Very low | 31 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 45 | 117.7 | 160.8 | -59.4 | -23.6 | 0 | 0 | 0 | 120.5 | ||||
| 1215 | A | 30.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | 173.9 | 123.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1216 | Y | 30 | Very low | 31.3 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | trans | 60.1 | 104.6 | 136.4 | -78.8 | -100.7 | 0 | 0 | 0 | 123.7 | ||||
| 1217 | Q | 30.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | 87.2 | 146 | 117.8 | -96.4 | -178 | -3.5 | 0 | 0 | 124.7 | |||||
| 1218 | H | 33.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 59% | 0.593 | 71% | 0.713 | S | S | * | * | trans | 77.4 | 104.3 | 151.6 | -85.1 | -74 | 0 | 0 | 0 | 123.3 | ||||
| 1219 | H | 32.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | 70.1 | 158.2 | 129.7 | -71.2 | 12 | 0 | 0 | 0 | 119.4 | |||||
| 1220 | Q | 36.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | cis | -162.9 | 144.9 | -21.9 | -112.4 | 172.7 | -5.9 | 0 | 0 | 110.2 | ||||
| 1221 | N | 33.3 | Very low | 32.9 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | 55.1 | 125.3 | 140.3 | -68.7 | -0.2 | 0 | 0 | 0 | 125 | ||||
| 1222 | H | 34.4 | Very low | 33.2 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | 99.3 | 144.4 | 120.9 | -74.8 | -23.8 | 0 | 0 | 0 | 124.7 | |||||
| 1223 | H | 34.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | 65.6 | 127.7 | 160.7 | -56.6 | -48.6 | 0 | 0 | 0 | 119.7 | ||||
| 1224 | T | 35 | Very low | 33.4 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | cis | 93.8 | 113.1 | 23.6 | 68.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1225 | M | 31.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | 156.4 | 151.7 | 114.2 | -80 | -155 | -67.1 | 0 | 0 | 116.5 | |||||
| 1226 | Y | 33.6 | Very low | 34 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | trans | 65 | 157.5 | 158.3 | -60.4 | -50.8 | 0 | 0 | 0 | 121.5 | ||||
| 1227 | S | 33.9 | Very low | 34.3 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | cis | -174.4 | 148.6 | -33.9 | -159.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1228 | S | 33.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | 53.6 | 137.9 | 145.2 | -174.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1229 | G | 36.5 | Very low | 34.5 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 160.9 | 127 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1230 | D | 35.8 | Very low | 34.5 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -127.2 | 168.2 | -161.4 | -73.5 | -71.1 | 0 | 0 | 0 | 116 | ||||
| 1231 | E | 36.5 | Very low | 34.4 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 77.9 | 118.2 | 152 | -79 | 178.5 | -154.4 | 0 | 0 | 124.6 | ||||
| 1232 | H | 35.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | 85.3 | 140.1 | 125.2 | -73.4 | -35.6 | 0 | 0 | 0 | 126.5 | |||||
| 1233 | T | 35.2 | Very low | 34.5 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | 86.1 | 127.5 | 148.5 | 41.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1234 | T | 33 | Very low | 34.5 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | -60.4 | 160.7 | 172.5 | 50.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1235 | I | 34.8 | Very low | 34.3 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | -177.5 | 130.1 | 121.3 | -95.7 | 157.2 | 0 | 0 | 0 | 113.9 | |||||
| 1236 | N | 34.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 137 Ų | 137 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | 44.1 | 148.5 | 148.4 | -64.7 | 22.6 | 0 | 0 | 0 | 127.5 | ||||
| 1237 | D | 37.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 70.6 | 144.9 | 143.3 | -67.5 | -34.3 | 0 | 0 | 0 | 119.9 | ||||
| 1238 | M | 32.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | cis | -156.8 | 163.5 | 6.8 | -131.8 | 164.5 | 61.7 | 0 | 0 | 113.2 | ||||
| 1239 | L | 34.5 | Very low | 34 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 65.8 | 96.4 | 159.4 | -64.9 | 166.7 | 0 | 0 | 0 | 119.6 | ||||
| 1240 | S | 32.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | 87.2 | 137.1 | 101.3 | 73.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1241 | R | 34.1 | Very low | 33.2 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | cis | -161.6 | 142.4 | 8.1 | -118 | 165.2 | -167 | 164.2 | 3.6 | 110.9 | ||||
| 1242 | N | 36.1 | Very low | 32.9 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | 50.4 | 145.2 | 142.6 | -67.3 | 26.8 | 0 | 0 | 0 | 123.5 | ||||
| 1243 | T | 34.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | cis | -174.3 | 141.2 | -22.7 | 27.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1244 | T | 33.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 115.6 | 142.1 | 59.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1245 | K | 31.8 | Very low | 32 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 103.8 | 160.9 | 89.1 | -82.6 | -175.9 | 177.8 | -179.2 | 0 | 112 | |||||
| 1246 | T | 34.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | cis | -164 | 152.2 | 1 | 12.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1247 | S | 29.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | cis | 69.6 | 120.4 | 23.4 | 76.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1248 | L | 33.1 | Very low | 31.2 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | cis | -131.5 | 177.1 | 11.2 | -73.5 | 106 | 0 | 0 | 0 | 110 | ||||
| 1249 | Q | 29.3 | Very low | 30.9 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | cis | 83.3 | 129.5 | 24.6 | -178.8 | -177.4 | -0.3 | 0 | 0 | 116.6 | ||||
| 1250 | G | 30.1 | Very low | 30.8 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 108.3 | 125.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1251 | S | 25.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | cis | 83.9 | 77.6 | 5.7 | -155 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1252 | S | 30.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | -168.3 | 144.2 | 141.4 | 63.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1253 | R | 27.2 | Very low | 30.7 | Very low | 233 Ų | 233 | 132 Ų | 132 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | 56 | 138.6 | 55.3 | -68.2 | -171.4 | 172 | -172.2 | -2.2 | 111.5 | |||||
| 1254 | I | 28.7 | Very low | 30.6 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | cis | -133.6 | -157.6 | 19 | -48.8 | 159.6 | 0 | 0 | 0 | 109.8 | ||||
| 1255 | D | 28.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 82.8 | 134.6 | 166.9 | -52.5 | -25.9 | 0 | 0 | 0 | 117 | ||||
| 1256 | S | 29 | Very low | 30.4 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | -146.3 | 143 | 7.2 | -108.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1257 | L | 30.2 | Very low | 30.3 | Very low | 140 Ų | 140 | 131 Ų | 131 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | 60 | 129.9 | 84.9 | -61.3 | 179.3 | 0 | 0 | 0 | 113.3 | |||||
| 1258 | L | 29 | Very low | 30.5 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | cis | -150.7 | 144.3 | 12.9 | -84.6 | 116.6 | 0 | 0 | 0 | 113 | ||||
| 1259 | S | 27.1 | Very low | 30.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | 63.3 | 173.3 | 125.4 | -49.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1260 | T | 31.6 | Very low | 30.9 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | cis | -156.6 | 159 | 22.6 | -8.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1261 | E | 34.7 | Very low | 31 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | 76.4 | 145.4 | 147.8 | -67.3 | 169.2 | -154.3 | 0 | 0 | 120.4 | ||||
| 1262 | F | 31.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 127 Ų | 127 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | cis | -163 | 147.6 | -6.3 | -115.6 | -26 | 0 | 0 | 0 | 114.1 | ||||
| 1263 | I | 34.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 61% | 0.605 | 72% | 0.719 | S | S | * | * | trans | 53 | 152.5 | 134.1 | -75.7 | 170.7 | 0 | 0 | 0 | 120.4 | ||||
| 1264 | D | 32.6 | Very low | 31.6 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | cis | -118.5 | 152.7 | 6 | -92.1 | -65.1 | 0 | 0 | 0 | 109.9 | ||||
| 1265 | L | 31.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | 69.1 | 142.8 | 55.8 | -60.2 | 161.7 | 0 | 0 | 0 | 113.2 | |||||
| 1266 | C | 30.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | cis | -164.4 | 155.2 | 8.8 | -138.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1267 | N | 31.5 | Very low | 32 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | 59.5 | 152.2 | 146.1 | -68 | -14.1 | 0 | 0 | 0 | 120.4 | ||||
| 1268 | N | 34 | Very low | 32 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | cis | -158.1 | -170.9 | -4 | -125.5 | -27.3 | 0 | 0 | 0 | 108.4 | ||||
| 1269 | N | 35.7 | Very low | 32.1 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | cis | -157.7 | -176.6 | 12.9 | -143.7 | -21.2 | 0 | 0 | 0 | 113 | ||||
| 1270 | N | 34.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -44 | 157.5 | 165.7 | -50.4 | -37.7 | 0 | 0 | 0 | 115.5 | ||||
| 1271 | G | 31.5 | Very low | 32.3 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | cis | 114.1 | 150.6 | 21.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1272 | G | 31.7 | Very low | 32.3 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | cis | 166.6 | 170.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1273 | S | 31.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | 74.4 | 151.6 | 172.2 | -158.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1274 | S | 32.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | cis | -170.9 | -173.5 | -32.4 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1275 | T | 33.9 | Very low | 32.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 71 | 130.8 | 176.3 | 68.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1276 | I | 30.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | 99.1 | 105.9 | 25.5 | -63.3 | 165.8 | 0 | 0 | 0 | 113.7 | ||||
| 1277 | N | 31.7 | Very low | 32.5 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 158 | 116.2 | 142.7 | -84.5 | -49.4 | 0 | 0 | 0 | 108.5 | ||||
| 1278 | H | 29 | Very low | 32.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | 70.4 | 143.4 | 78.5 | -109.9 | -82.6 | 0 | 0 | 0 | 116 | |||||
| 1279 | I | 32.3 | Very low | 32.2 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 75.8 | 139 | 165.6 | -69.8 | 153.1 | 0 | 0 | 0 | 116.8 | ||||
| 1280 | V | 29.7 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -173 | 175.2 | -29.7 | 96.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1281 | K | 32 | Very low | 31.4 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 70.5 | 148.5 | 168.6 | -83.1 | 159 | -171.3 | 175.8 | 0 | 116.9 | ||||
| 1282 | N | 35.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | cis | -145.5 | 154.6 | 6.6 | -71.2 | -62.4 | 0 | 0 | 0 | 111.5 | ||||
| 1283 | D | 33.4 | Very low | 31 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -87.2 | 160 | 153 | -82 | -51.1 | 0 | 0 | 0 | 111.1 | ||||
| 1284 | P | 39.7 | Very low | 30.7 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | -132.9 | 137.5 | 103.9 | 37.5 | -28.9 | 0 | 0 | 0 | 112.4 | |||||
| 1285 | L | 26.2 | Very low | 30.4 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | 59.4 | 145.2 | 65.5 | -85.2 | 171.2 | 0 | 0 | 0 | 115.6 | |||||
| 1286 | V | 35 | Very low | 30.1 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 93.9 | 135.3 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1287 | K | 29.5 | Very low | 29.9 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | cis | -174.9 | 169.1 | -25.8 | -155 | 169.2 | -173.6 | 175.5 | 0 | 108.6 | ||||
| 1288 | L | 33 | Very low | 29.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 73 | 114.4 | 168.5 | -49.5 | 167.5 | 0 | 0 | 0 | 113.6 | ||||
| 1289 | N | 28.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 72.5 | 140.8 | 52.2 | -72.1 | 1.2 | 0 | 0 | 0 | 115.5 | |||||
| 1290 | S | 26.5 | Very low | 29.4 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 70.3 | 148.4 | 148.5 | 67.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1291 | T | 27.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | cis | -171 | 145.7 | -24 | 28 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1292 | T | 24.5 | Very low | 29 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | 61.3 | 175.5 | 165.7 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1293 | V | 30.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | cis | -142.5 | 141.2 | 32.4 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1294 | T | 25.5 | Very low | 28 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -69.2 | 121.1 | 167.7 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1295 | S | 25.6 | Very low | 27.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -156.5 | 105.6 | 162.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1296 | V | 26.9 | Very low | 27.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | 88.8 | 131.3 | 59.9 | 167.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1297 | K | 26.2 | Very low | 27.1 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | 72.1 | 147.5 | 179.4 | -67.2 | 156.2 | -172.6 | 174.1 | 0 | 115.2 | ||||
| 1298 | Q | 30.1 | Very low | 27 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | cis | -140.7 | 125.6 | -1.4 | -115.5 | 144.3 | -53.1 | 0 | 0 | 107.7 | ||||
| 1299 | T | 24.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | 39.2 | 109.3 | 80.5 | 41.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 1300 | I | 28.4 | Very low | 26.7 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | 47 | 117.3 | 124.9 | -59.3 | 171.8 | 0 | 0 | 0 | 115.4 | |||||
| 1301 | P | 28.1 | Very low | 26.6 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | -149.5 | 148.5 | 74.3 | 39.8 | -21.5 | 0 | 0 | 0 | 119.5 | |||||
| 1302 | N | 24.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 26.4 | 140.7 | 127.2 | -50.8 | -12.3 | 0 | 0 | 0 | 122.1 | |||||
| 1303 | S | 24.6 | Very low | 26.9 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | trans | 93.8 | 138.4 | 131.9 | 77.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1304 | M | 24.7 | Very low | 26.8 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 50.7 | 102.8 | 150 | -65.2 | 178.8 | -71.9 | 0 | 0 | 118.2 | ||||
| 1305 | Y | 29.7 | Very low | 26.8 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 92% | 0.918 | 71% | 0.714 | S | S | * | * | -136.9 | 108.5 | 107 | -112.8 | -80 | 0 | 0 | 0 | 111.1 | |||||
| 1306 | N | 25.4 | Very low | 27 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | -78.3 | 156.7 | 163.1 | -92.6 | -34.8 | 0 | 0 | 0 | 109.2 | ||||
| 1307 | S | 25.4 | Very low | 27.4 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | trans | 62 | 145.4 | 169.3 | 56 | 0 | 0 | 0 | 0 | 115 | ||||
| 1308 | F | 27.1 | Very low | 27.4 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.772 | 71% | 0.712 | S | S | * | * | cis | -154.8 | 152.4 | 44.7 | -96.6 | -88.2 | 0 | 0 | 0 | 112.7 | ||||
| 1309 | L | 29.2 | Very low | 27.4 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 63.4 | 118.8 | 158.1 | -57.4 | 164.4 | 0 | 0 | 0 | 116.7 | ||||
| 1310 | N | 25.4 | Very low | 27.6 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | cis | 76.7 | 139.8 | 39.4 | -159.5 | 15.7 | 0 | 0 | 0 | 113.8 | ||||
| 1311 | Y | 25.1 | Very low | 27.5 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 68.6 | 135.5 | -172.1 | -51.5 | -77.7 | 0 | 0 | 0 | 114.4 | ||||
| 1312 | N | 32.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -126.8 | 146.3 | 7.5 | -84.6 | -53.1 | 0 | 0 | 0 | 113.8 | ||||
| 1313 | K | 24.8 | Very low | 27.6 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | trans | -68 | 125.7 | 153.8 | 175.5 | -177.1 | -170 | -92.6 | 0 | 108.1 | D1315 | K1313-D1315 WeakPolarHBondContact CE-OD1 3.14Å; K1313-D1315 IonicContact NZ-OD1 3.91Å; K1313-D1315 PolarHBondContact NZ-OD1 2.91Å; K1313-D1315 IonicContact NZ-OD2 2.72Å; K1313-D1315 PolarHBondContact NZ-OD2 3.06Å | ||
| 1314 | L | 29.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 152 Ų | 152 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | -132.5 | 98 | 166.4 | -79.1 | 175.2 | 0 | 0 | 0 | 109 | Y1316 | L1314-Y1316 HydrophobicContact CB-CD2 4.14Å; L1314-Y1316 HydrophobicContact CB-CE2 4.19Å; L1314-Y1316 HydrophobicContact CD1-CE2 4.4Å; L1314-Y1316 HydrophobicContact CD2-CE2 4.42Å | ||
| 1315 | D | 25.2 | Very low | 28 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -62.1 | 133.2 | 163.1 | -40.9 | -91.6 | 0 | 0 | 0 | 108 | K1313 | K1313-D1315 WeakPolarHBondContact CE-OD1 3.14Å; K1313-D1315 IonicContact NZ-OD1 3.91Å; K1313-D1315 PolarHBondContact NZ-OD1 2.91Å; K1313-D1315 IonicContact NZ-OD2 2.72Å; K1313-D1315 PolarHBondContact NZ-OD2 3.06Å | ||
| 1316 | Y | 29.2 | Very low | 28.1 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -123 | 83.7 | 175.2 | -104.5 | -87.2 | 0 | 0 | 0 | 113.1 | L1314 | L1314-Y1316 HydrophobicContact CB-CD2 4.14Å; L1314-Y1316 HydrophobicContact CB-CE2 4.19Å; L1314-Y1316 HydrophobicContact CD1-CE2 4.4Å; L1314-Y1316 HydrophobicContact CD2-CE2 4.42Å | ||
| 1317 | I | 35 | Very low | 28.2 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 56% | 0.559 | 72% | 0.724 | S | S | * | * | trans | 70.5 | 71 | 145.8 | -50 | 180 | 0 | 0 | 0 | 114.5 | K1319 | I1317-K1319 HydrophobicContact CG2-CB 3.75Å; I1317-K1319 HydrophobicContact CG2-CD 3.86Å; I1317-K1319 HydrophobicContact CG2-CG 3.64Å | ||
| 1318 | E | 26.2 | Very low | 28.4 | Very low | 183 Ų | 183 | 150.4 Ų | 150.4 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | -41.4 | 129.9 | 122.2 | 178.2 | 172.2 | -123.1 | 0 | 0 | 109.5 | |||||
| 1319 | K | 31.3 | Very low | 28.5 | Very low | 188 Ų | 188 | 147 Ų | 147 | 82% | 0.817 | 72% | 0.717 | S | S | * | * | trans | -130.7 | 48.4 | -171.1 | -144 | 176.6 | -174.3 | -178.1 | 0 | 113.9 | I1317 | I1317-K1319 HydrophobicContact CG2-CB 3.75Å; I1317-K1319 HydrophobicContact CG2-CD 3.86Å; I1317-K1319 HydrophobicContact CG2-CG 3.64Å | ||
| 1320 | D | 27.1 | Very low | 28.5 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 170.5 | 155 | -89.6 | -49.4 | 0 | 0 | 0 | 111 | ||||
| 1321 | E | 27.1 | Very low | 28.6 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | 58.4 | 87.7 | -178.7 | -59.3 | -162.4 | -175.5 | 0 | 0 | 116.5 | ||||
| 1322 | L | 28.1 | Very low | 29.1 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | -156.8 | 141.1 | 95.7 | -135.8 | 69.5 | 0 | 0 | 0 | 114.2 | |||||
| 1323 | N | 27.3 | Very low | 28.9 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | trans | -48.7 | 134.3 | 178.1 | -51.9 | -68.2 | 0 | 0 | 0 | 114.2 | ||||
| 1324 | H | 30 | Very low | 29.2 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 176.2 | 99.7 | 101.1 | -88.1 | -65.7 | 0 | 0 | 0 | 114 | |||||
| 1325 | L | 27 | Very low | 29.2 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | 72 | 146.5 | 147.1 | -65.9 | 165.5 | 0 | 0 | 0 | 119.5 | ||||
| 1326 | P | 31.8 | Very low | 29.5 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | -149.1 | 178.6 | -121.1 | 44.9 | -25.9 | 0 | 0 | 0 | 119.2 | |||||
| 1327 | Y | 28.1 | Very low | 29.5 | Very low | 216 Ų | 216 | 145.9 Ų | 145.9 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | trans | 68.2 | 159.2 | 155.6 | -72.2 | -55.4 | 0 | 0 | 0 | 118.1 | ||||
| 1328 | L | 28.2 | Very low | 29.1 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 59% | 0.592 | 75% | 0.75 | S | S | * | * | cis | -147.7 | 178.8 | 11.9 | -133.3 | 161.4 | 0 | 0 | 0 | 111.4 | H800 | H800-L1328 WeakPolarHBondContact NE2-CD2 3.38Š| ||
| 1329 | T | 29.3 | Very low | 29.2 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -133 | 174.7 | -175.5 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1330 | T | 29 | Very low | 29.1 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 56% | 0.564 | 73% | 0.733 | S | S | * | * | trans | 70.9 | 157.2 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1331 | D | 29.1 | Very low | 29.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | cis | -153.8 | 174.5 | 6 | -131.7 | 8.6 | 0 | 0 | 0 | 110.9 | ||||
| 1332 | P | 34.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | trans | -105.1 | 145.1 | -177.4 | 37.7 | -31.2 | 0 | 0 | 0 | 115.4 | ||||
| 1333 | Y | 28.5 | Very low | 29.8 | Very low | 226 Ų | 226 | 135.3 Ų | 135.3 | 89% | 0.886 | 69% | 0.688 | S | S | * | * | trans | 174 | 171.7 | 145.3 | -112.8 | -78.1 | 0 | 0 | 0 | 112.6 | ||||
| 1334 | L | 30.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | trans | 89.4 | 158 | 157.7 | -77.4 | 162.5 | 0 | 0 | 0 | 122.6 | ||||
| 1335 | E | 29.5 | Very low | 30.4 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | -85.7 | 169.4 | -153.6 | -70.9 | 176 | 118 | 0 | 0 | 117.6 | ||||
| 1336 | P | 33 | Very low | 30.7 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | trans | -86.2 | 132.1 | 174.7 | 34 | -34.3 | 0 | 0 | 0 | 114.1 | ||||
| 1337 | V | 29.5 | Very low | 30.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | trans | -136.1 | 154.8 | 170 | -176 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1338 | S | 25.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -119.7 | -168 | -169.9 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1339 | L | 28.1 | Very low | 31 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | trans | 88.4 | 132.9 | 176.9 | -67.4 | 105.8 | 0 | 0 | 0 | 117.2 | ||||
| 1340 | K | 30.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 60% | 0.6 | 69% | 0.691 | S | S | * | * | 78.5 | 135.4 | 53.1 | -66.4 | 170.3 | -172.1 | 171.4 | 0 | 112.3 | |||||
| 1341 | R | 30.8 | Very low | 31.3 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 39% | 0.392 | 70% | 0.7 | S | S | . | * | cis | -171.6 | 122.8 | 5 | -103.4 | 173.9 | 169.5 | -178 | -0.1 | 113.4 | S253 A255 F256 S258 | S253-R1341 PolarHBondContact O-NH2 2.9Å; A255-R1341 WeakPolarHBondContact O-CG 3.45Å; A255-R1341 PolarHBondContact O-NE 3.41Å; F256-R1341 HydrophobicContact CB-CB 3.93Å; F256-R1341 HydrophobicContact CB-CG 3.8Å; F256-R1341 HydrophobicContact CD2-CB 4.06Å; F256-R1341 HydrophobicContact CD2-CG 3.77Å; F256-R1341 HydrophobicContact CG-CB 4.44Å; F256-R1341 HydrophobicContact CG-CG 4.28Å; F256-R1341 WeakPolarHBondContact O-CG 3.31Å; S258-R1341 CarbonylContact O-C 3.41Å; S258-R1341 WeakPolarHBondContact O-CA 3.44Å; S258-R1341 PolarHBondContact O-N 3.48Å | ||
| 1342 | R | 31.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 53% | 0.532 | 69% | 0.694 | S | S | . | * | trans | 154.4 | 153 | 147.6 | -86.6 | -79.8 | -179.4 | 98.8 | 13.2 | 114 | F256 A257 S258 | F256-R1342 VanDerWaalsContact CB-N 3.25Å; A257-R1342 CarbonylContact O-C 3.58Å; A257-R1342 PolarHBondContact O-N 2.88Å; S258-R1342 PolarHBondContact O-N 2.87Å | ||
| 1343 | Q | 34.5 | Very low | 31.3 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 54% | 0.537 | 69% | 0.694 | S | S | . | * | cis | -142.7 | -102.4 | -8.7 | -165.5 | 164.5 | -27.6 | 0 | 0 | 115.8 | F256 | F256-Q1343 HydrophobicContact CE1-CG 4.16Š| ||
| 1344 | Q | 34.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | -157.6 | 157.3 | -162.2 | -68.8 | 162.4 | -80.9 | 0 | 0 | 115.1 | ||||
| 1345 | Q | 35.2 | Very low | 31.2 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -161.3 | 179.5 | 142.7 | -113.1 | 178.1 | 5.2 | 0 | 0 | 111.3 | ||||
| 1346 | E | 32.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | -176.2 | 122.2 | -99.4 | 164 | -103.6 | 150.9 | 0 | 0 | 112.1 | |||||
| 1347 | K | 33.7 | Very low | 31 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | trans | 165 | 134.5 | 142.9 | -93.5 | 162.5 | -173.6 | 72.9 | 0 | 116.9 | ||||
| 1348 | R | 29.2 | Very low | 31 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 83% | 0.83 | 68% | 0.679 | S | S | * | * | trans | 63.3 | 157.3 | 140.6 | -70.4 | 178.1 | 155.8 | 176.7 | -5.1 | 118.9 | ||||
| 1349 | L | 33 | Very low | 31 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | cis | -148.6 | 139 | 5 | -156.4 | 56.9 | 0 | 0 | 0 | 111.3 | ||||
| 1350 | D | 33.9 | Very low | 31 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | 36.1 | 159.2 | 140.2 | -55.4 | -3.3 | 0 | 0 | 0 | 123.6 | ||||
| 1351 | H | 29.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | cis | -172.5 | -163.5 | -28 | -163.5 | -102.9 | 0 | 0 | 0 | 107.6 | ||||
| 1352 | L | 30.6 | Very low | 30.8 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | trans | 71.8 | 128.5 | 164.5 | -86.5 | 84.6 | 0 | 0 | 0 | 120.8 | K895 | K895-L1352 PolarHBondContact NZ-O 3.19Š| ||
| 1353 | I | 34.1 | Very low | 30.6 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | 56.1 | 149.1 | 126.5 | -62.6 | -176.8 | 0 | 0 | 0 | 120.3 | |||||
| 1354 | T | 29.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | cis | 152.5 | 123.4 | -37 | -79.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1355 | A | 28 | Very low | 30.2 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | 72.3 | 146.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1356 | K | 29.4 | Very low | 30 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | 70.8 | 127.3 | 163.8 | -69.6 | 172.6 | -178.5 | 173.6 | 0 | 116 | ||||
| 1357 | K | 28.2 | Very low | 29.9 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | cis | 81.5 | 143.5 | 46.8 | -171.3 | -158.1 | 174.9 | -175.4 | 0 | 110.4 | ||||
| 1358 | I | 28.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | trans | 90.2 | 101.7 | -180 | -55.4 | 176.5 | 0 | 0 | 0 | 108.6 | ||||
| 1359 | H | 27.1 | Very low | 29.9 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | 79.5 | 145.5 | 77.6 | -128.4 | -110 | 0 | 0 | 0 | 110.9 | |||||
| 1360 | H | 27.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | trans | 65.7 | 161 | 160.2 | -72.8 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 1361 | I | 28.5 | Very low | 29.7 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 60% | 0.6 | 69% | 0.691 | S | S | * | * | cis | -160.9 | 170.1 | -23.2 | -117.4 | 168.1 | 0 | 0 | 0 | 105.1 | ||||
| 1362 | D | 27.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | trans | 69.1 | 132.1 | 166.4 | -73.3 | -17.5 | 0 | 0 | 0 | 115.3 | ||||
| 1363 | H | 28.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | 65.1 | 132.7 | 67.6 | -71.8 | 111 | 0 | 0 | 0 | 111.8 | |||||
| 1364 | D | 29.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | trans | 69.3 | 147.6 | 144.1 | -59.8 | -13.5 | 0 | 0 | 0 | 117.2 | ||||
| 1365 | H | 30 | Very low | 29.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | cis | -154.8 | -176.2 | -13 | -130.1 | 51.6 | 0 | 0 | 0 | 107.5 | ||||
| 1366 | D | 30.9 | Very low | 30.3 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | trans | 70.8 | 135.8 | 149.8 | -63.6 | -16.5 | 0 | 0 | 0 | 118 | ||||
| 1367 | M | 31.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | 56.1 | 133.9 | 65.7 | -48.7 | -165.5 | -67.3 | 0 | 0 | 109.9 | |||||
| 1368 | E | 31.8 | Very low | 31 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | cis | -153.6 | 165.9 | 41.8 | -78.4 | -176.2 | 137.3 | 0 | 0 | 108.8 | ||||
| 1369 | C | 30.7 | Very low | 31.3 | Very low | 81 Ų | 81 | 130 Ų | 130 | 55% | 0.547 | 67% | 0.667 | S | S | . | * | cis | -160.7 | 171.8 | -1.9 | -128.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1370 | D | 31.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | 58.5 | 147.6 | 140.7 | -62.2 | -22.9 | 0 | 0 | 0 | 121.3 | ||||
| 1371 | T | 30 | Very low | 31.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | cis | -153.9 | 123.8 | -8.2 | 16 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1372 | V | 29.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | 101.5 | 140.7 | 76.6 | 155.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1373 | E | 31.6 | Very low | 32.3 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | trans | 68.4 | 143.4 | 174.3 | -77.6 | -172.9 | -126.3 | 0 | 0 | 116.2 | K1375 | E1373-K1375 IonicContact OE1-NZ 3.9Å; E1373-K1375 IonicContact OE2-NZ 3.82Å; E1373-K1375 PolarHBondContact OE2-NZ 3.47Å | ||
| 1374 | N | 32.5 | Very low | 32.4 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | cis | -156.9 | 159.2 | 12.3 | -101.6 | -26.3 | 0 | 0 | 0 | 110.8 | ||||
| 1375 | K | 35.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | cis | -171.9 | 163.9 | -21.1 | -130.8 | -178.5 | -161.6 | 86.1 | 0 | 108.5 | E1373 | E1373-K1375 IonicContact OE1-NZ 3.9Å; E1373-K1375 IonicContact OE2-NZ 3.82Å; E1373-K1375 PolarHBondContact OE2-NZ 3.47Å | ||
| 1376 | N | 34.9 | Very low | 32.6 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | 67.9 | 145.5 | 159.4 | -64.3 | 41.4 | 0 | 0 | 0 | 119.7 | ||||
| 1377 | D | 35.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 65% | 0.652 | 68% | 0.68 | S | S | * | * | cis | -158.9 | 162.7 | -9.9 | -97.2 | -19.6 | 0 | 0 | 0 | 112.1 | ||||
| 1378 | D | 37.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | 63.3 | 145.5 | 154 | -69.3 | 0.9 | 0 | 0 | 0 | 122.4 | ||||
| 1379 | L | 34.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | cis | -162.9 | 161.9 | -14.6 | -110.2 | 169.5 | 0 | 0 | 0 | 111 | ||||
| 1380 | I | 36.2 | Very low | 32.4 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | trans | 72.2 | 91.4 | 147.6 | -70.3 | 164.1 | 0 | 0 | 0 | 119.4 | ||||
| 1381 | K | 30.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | 75 | 135.6 | 111.4 | -82.3 | 177.4 | 171.8 | 175.2 | 0 | 123.9 | |||||
| 1382 | L | 34.5 | Very low | 32 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | trans | 92.2 | 100.8 | 130.9 | -76.3 | 168 | 0 | 0 | 0 | 121.7 | ||||
| 1383 | N | 31.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | 74.1 | 120.3 | 121.3 | -91.1 | -1 | 0 | 0 | 0 | 121.9 | |||||
| 1384 | K | 31.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | 73.1 | 148.1 | 129.9 | -69.1 | -172.5 | 171.2 | -167.6 | 0 | 117.6 | |||||
| 1385 | T | 32.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | cis | -153.1 | 145.5 | 5.1 | 0.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1386 | D | 31 | Very low | 30.9 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | 40.3 | 143 | 121 | -61.9 | 33.6 | 0 | 0 | 0 | 120.3 | |||||
| 1387 | Q | 32.6 | Very low | 30.5 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -147.5 | 151.8 | 6.4 | -100.1 | 139.4 | 36.2 | 0 | 0 | 107.4 | ||||
| 1388 | Q | 30.1 | Very low | 30.1 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | 40.5 | 152.2 | 86.4 | -71.5 | -169.2 | -5.6 | 0 | 0 | 116.9 | |||||
| 1389 | P | 31 | Very low | 29.6 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | cis | -107.3 | 165.1 | -19.2 | 12 | 12.2 | 0 | 0 | 0 | 110.7 | ||||
| 1390 | A | 25.9 | Very low | 29.2 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | cis | 82.4 | 145.5 | 35.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1391 | V | 25.4 | Very low | 28.7 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | trans | 83.5 | 145.6 | 148.4 | 161.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1392 | H | 27.4 | Very low | 28.7 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | 59.9 | 117.7 | 176 | -62.6 | -45.4 | 0 | 0 | 0 | 118.2 | ||||
| 1393 | S | 25.3 | Very low | 28.4 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | cis | 85.5 | 105.5 | 38 | 82.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1394 | G | 29 | Very low | 28.3 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | trans | -169.6 | 117 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1395 | T | 26.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | 50.1 | 86.8 | 82.7 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1396 | S | 25.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | 88.2 | 158.1 | 88.9 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1397 | S | 27 | Very low | 28.7 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 71.3 | 153.5 | 178.9 | 83.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1398 | A | 28.1 | Very low | 28.6 | Very low | 74 Ų | 74 | 121.7 Ų | 121.7 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | cis | -171.8 | -170.4 | -28.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1399 | I | 26.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 68.5 | 99.1 | 155.9 | -61.7 | 149.2 | 0 | 0 | 0 | 113.3 | ||||
| 1400 | S | 24.7 | Very low | 28.7 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | 68.2 | 134 | 66 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1401 | S | 26.6 | Very low | 28.8 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 143.9 | 173.9 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1402 | L | 31 | Very low | 28.9 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | cis | -131.5 | 153.1 | 36.8 | -94.1 | 85.4 | 0 | 0 | 0 | 111.8 | ||||
| 1403 | V | 28.8 | Very low | 29.2 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 58% | 0.582 | 75% | 0.75 | S | S | * | * | cis | 103.9 | 95.3 | 32.6 | 159.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1404 | F | 28.8 | Very low | 29.3 | Very low | 201 Ų | 201 | 123.5 Ų | 123.5 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | trans | 57.4 | 161.4 | 164.1 | -51 | -89.5 | 0 | 0 | 0 | 117.7 | ||||
| 1405 | A | 34.5 | Very low | 29.2 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -146 | 160.6 | 12.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1406 | D | 30.1 | Very low | 29.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -71.7 | 153 | 151.6 | -60.1 | -74 | 0 | 0 | 0 | 109.8 | ||||
| 1407 | D | 37.2 | Very low | 29.5 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -156.2 | 147.6 | 147.3 | -117 | -29.9 | 0 | 0 | 0 | 110.1 | ||||
| 1408 | S | 31.2 | Very low | 29.9 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | -117.3 | 172.9 | -170.3 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1409 | D | 29.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | 70.1 | 176.6 | 162.8 | -72 | -39.3 | 0 | 0 | 0 | 119 | ||||
| 1410 | L | 33.8 | Very low | 30.2 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | 74.6 | 72 | -169.4 | -56 | 167.7 | 0 | 0 | 0 | 113.8 | ||||
| 1411 | S | 28.1 | Very low | 30.5 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | 64.9 | 117.7 | 54.8 | 107.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1412 | K | 27.7 | Very low | 30.6 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | 53.4 | 126.5 | 161.4 | -58.5 | 175.5 | -178.9 | 175.4 | 0 | 116.2 | ||||
| 1413 | V | 32.9 | Very low | 30.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | -170.1 | 117.9 | 83.4 | 148.5 | 0 | 0 | 0 | 0 | 104.7 | |||||
| 1414 | S | 27.2 | Very low | 30.6 | Very low | 83 Ų | 83 | 135 Ų | 135 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | 63.4 | 103.9 | 65.3 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1415 | E | 28 | Very low | 30.5 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 70.6 | 163.6 | 165.4 | -47.9 | 170.6 | 150.6 | 0 | 0 | 113.7 | ||||
| 1416 | H | 30.2 | Very low | 30.1 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | cis | -153.4 | 115.8 | 12.3 | -136 | -44.5 | 0 | 0 | 0 | 112.3 | ||||
| 1417 | S | 28.1 | Very low | 29.9 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | trans | 53.9 | -166.2 | 139.4 | 66.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1418 | I | 33.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | 70.4 | 90.3 | 169.3 | -62 | 162.2 | 0 | 0 | 0 | 112.7 | ||||
| 1419 | N | 32.7 | Very low | 29 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | 71.5 | 141.3 | 93.2 | -66.7 | -21.4 | 0 | 0 | 0 | 112.8 | |||||
| 1420 | S | 28.3 | Very low | 28.9 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | cis | 179.9 | -163.8 | -7.6 | 55.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1421 | Q | 32.6 | Very low | 28.7 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | 72.2 | 121.8 | 169.8 | -68.7 | 177.4 | 27 | 0 | 0 | 112.8 | ||||
| 1422 | K | 28.3 | Very low | 28.7 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | 67.2 | 140.8 | 70.6 | -80.5 | -163.3 | 172.1 | -167.8 | 0 | 112.3 | |||||
| 1423 | S | 28.1 | Very low | 28.9 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 52% | 0.517 | 70% | 0.697 | S | S | . | * | cis | -169.5 | 173.8 | -15.4 | 44.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1424 | D | 31 | Very low | 28.9 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | trans | 69.3 | 156.8 | 161.1 | -53.4 | -56.5 | 0 | 0 | 0 | 114.1 | ||||
| 1425 | Q | 27.4 | Very low | 29 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | cis | -157.1 | -168.9 | -18.4 | -117.1 | 163.4 | 42.3 | 0 | 0 | 107.7 | ||||
| 1426 | Y | 26.1 | Very low | 29.3 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 76% | 0.757 | 70% | 0.7 | S | S | * | * | trans | 9.8 | 138.6 | 145.2 | -54.9 | -50.7 | 0 | 0 | 0 | 119 | ||||
| 1427 | S | 25.7 | Very low | 29.4 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | cis | 176.6 | 155.4 | 7.1 | -103.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1428 | S | 24.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | 63.9 | 162.1 | 152.3 | -54.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1429 | L | 25.1 | Very low | 29.3 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | trans | 66.5 | 153.6 | 157.1 | -67.7 | 159.5 | 0 | 0 | 0 | 115.8 | ||||
| 1430 | H | 26.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | cis | -165.5 | -167 | -21.3 | -165.6 | -128.1 | 0 | 0 | 0 | 107.3 | ||||
| 1431 | L | 30.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 64.5 | 110 | 175.9 | -90 | 53.4 | 0 | 0 | 0 | 114.5 | ||||
| 1432 | I | 27.6 | Very low | 29.1 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | cis | 70.5 | 106.3 | 40.3 | -44.2 | 163.7 | 0 | 0 | 0 | 113.3 | ||||
| 1433 | T | 31.9 | Very low | 29.2 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | 167.3 | 142.7 | 124.6 | 32.2 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1434 | S | 33.7 | Very low | 29.1 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | cis | -141.8 | 138.4 | -3.4 | -80.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1435 | Q | 30 | Very low | 29 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | 53.2 | 138.6 | 97.4 | -52.1 | -173.8 | -4.3 | 0 | 0 | 114.8 | |||||
| 1436 | T | 33 | Very low | 29.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | cis | -146.7 | 136.8 | 35.3 | 25.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1437 | V | 33.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | 61 | 135 | 125.8 | 176.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1438 | S | 29.7 | Very low | 29.5 | Very low | 86 Ų | 86 | 128 Ų | 128 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | cis | -172.2 | 167 | -19.2 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1439 | S | 29.4 | Very low | 29.8 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | 60 | 143.6 | 138.8 | 63.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1440 | N | 31.3 | Very low | 30 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 70% | 0.702 | S | S | * | * | cis | -164.3 | 157.9 | -3.1 | -112.6 | 10 | 0 | 0 | 0 | 110.5 | ||||
| 1441 | E | 30.1 | Very low | 30 | Very low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -81 | -171.3 | 156 | -69.6 | -173.4 | 113.2 | 0 | 0 | 111.4 | ||||
| 1442 | I | 29.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | trans | 99.8 | 138.3 | 155.8 | -54 | 156.4 | 0 | 0 | 0 | 115.8 | ||||
| 1443 | N | 29.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 78.4 | 139.3 | 172.1 | -70.6 | -35.2 | 0 | 0 | 0 | 118.3 | ||||
| 1444 | S | 26.2 | Very low | 29.6 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | cis | -167.5 | 174.8 | -20.1 | -152 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1445 | M | 28.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | 69 | 107.4 | 154.8 | -75.2 | 178.4 | -77.5 | 0 | 0 | 120.3 | ||||
| 1446 | N | 28.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | 80.1 | 119.6 | 116.6 | -69.6 | -9.4 | 0 | 0 | 0 | 120.9 | |||||
| 1447 | N | 31.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 66% | 0.658 | 70% | 0.696 | S | S | * | * | 70.5 | 148.2 | 122.1 | -58.4 | -10.8 | 0 | 0 | 0 | 119 | |||||
| 1448 | N | 29.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | cis | -168.2 | 157.7 | -20.2 | -108.2 | -19.6 | 0 | 0 | 0 | 107.4 | ||||
| 1449 | N | 30.9 | Very low | 28.9 | Very low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 70% | 0.695 | S | S | * | * | trans | 64.5 | 137.8 | 150.6 | -63.2 | -15.6 | 0 | 0 | 0 | 119 | ||||
| 1450 | N | 28.7 | Very low | 29 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | 38.4 | 132.9 | 119.4 | -42.7 | -17.4 | 0 | 0 | 0 | 118.3 | |||||
| 1451 | S | 26.7 | Very low | 28.9 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | cis | 163.8 | -176.5 | 8.7 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1452 | I | 26.4 | Very low | 28.9 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | trans | 74.3 | 112.2 | 135.7 | -87.3 | 165.7 | 0 | 0 | 0 | 118.5 | ||||
| 1453 | I | 27.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 67% | 0.667 | 70% | 0.7 | S | S | * | * | 82.6 | 126.7 | 124.6 | -71.6 | -174.6 | 0 | 0 | 0 | 120.9 | |||||
| 1454 | N | 26.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | 70.1 | 158 | 149.8 | -72.3 | -1.5 | 0 | 0 | 0 | 120 | ||||
| 1455 | V | 28.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 129 Ų | 129 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | cis | -147.1 | 134.6 | -9.3 | 115 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1456 | T | 28.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | trans | 13.1 | 156.3 | 135.7 | -23.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1457 | K | 30.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | 76.3 | 147.9 | 159.1 | -83.8 | 161.6 | 176.5 | 175.2 | 0 | 114.5 | I1459 | K1457-I1459 HydrophobicContact CG-CD1 4.27Š| ||
| 1458 | V | 29.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | cis | -141.5 | 125.1 | 33.9 | 163.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1459 | I | 29.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 62% | 0.621 | 72% | 0.717 | S | S | * | * | 64.2 | 130.5 | 88 | -75 | 164.5 | 0 | 0 | 0 | 112.1 | K1457 | K1457-I1459 HydrophobicContact CG-CD1 4.27Š| |||
| 1460 | T | 29.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | cis | -172.5 | 160.5 | 2.2 | 25.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1461 | N | 30.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | 61.7 | 150.9 | 149.3 | -56.4 | -12.2 | 0 | 0 | 0 | 119.4 | ||||
| 1462 | G | 30.5 | Very low | 29.4 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | 160.9 | 151.1 | -14.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1463 | F | 25.9 | Very low | 29.5 | Very low | 207 Ų | 207 | 129.8 Ų | 129.8 | 91% | 0.908 | 74% | 0.735 | S | S | * | * | trans | 73 | 162.3 | 146.1 | -118.2 | -111.5 | 0 | 0 | 0 | 121.5 | ||||
| 1464 | I | 32.9 | Very low | 29.5 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | trans | 71.5 | 120.3 | 169.1 | -6.4 | -171.7 | 0 | 0 | 0 | 120.8 | ||||
| 1465 | T | 30.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -77.5 | -161.1 | 158.7 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1466 | P | 35.8 | Very low | 29.8 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -136.1 | -158.9 | -7.6 | 40.4 | -19.5 | 0 | 0 | 0 | 114.1 | ||||
| 1467 | T | 29.4 | Very low | 30 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 69.1 | 155.7 | 156.8 | 44.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1468 | T | 28.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | cis | 155.8 | 172.8 | -18.8 | -77.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1469 | I | 31 | Very low | 29.6 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 81.9 | 108.6 | 176.5 | -49.5 | 174.3 | 0 | 0 | 0 | 112.1 | ||||
| 1470 | T | 26.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | cis | 100.6 | 131.6 | 30.8 | 64.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1471 | T | 27.6 | Very low | 29.5 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | 67.7 | 159.2 | 169 | 65.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1472 | T | 31.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -136.1 | 166.9 | 17.7 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1473 | N | 27.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 159.9 | 168.6 | -35.1 | -67.3 | 0 | 0 | 0 | 112.7 | ||||
| 1474 | L | 28.4 | Very low | 29.3 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | -169.4 | 143.1 | 121.8 | -132.9 | 69.7 | 0 | 0 | 0 | 117 | |||||
| 1475 | S | 28.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 61.2 | 140.5 | 144.1 | 55.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1476 | I | 32.2 | Very low | 29.1 | Very low | 149 Ų | 149 | 124 Ų | 124 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -108.3 | 146.8 | 175.4 | -48.7 | 162.7 | 0 | 0 | 0 | 109 | ||||
| 1477 | P | 31.4 | Very low | 28.7 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | -133.1 | 139.7 | 125 | 35.9 | -26.6 | 0 | 0 | 0 | 110.9 | |||||
| 1478 | T | 27.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | 84.6 | 118.1 | 30.1 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1479 | A | 26 | Very low | 28.8 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | 69.8 | 156.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1480 | T | 32.6 | Very low | 28.9 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | cis | -130.6 | 162.2 | 14.7 | 45.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1481 | S | 24 | Very low | 29.2 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -84.9 | 151.2 | 173.9 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1482 | I | 30.7 | Very low | 29.2 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -170.6 | 127 | 141.7 | -88.7 | 138.2 | 0 | 0 | 0 | 105 | ||||
| 1483 | V | 27.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | 108 | 119.5 | 21.4 | 172.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1484 | S | 26.2 | Very low | 29.3 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | 84.6 | 126.2 | 159.4 | -74.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1485 | N | 30 | Very low | 29.3 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 149.2 | 143.5 | -57.1 | 2.4 | 0 | 0 | 0 | 118.9 | ||||
| 1486 | A | 29 | Very low | 29.4 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -162.2 | 177.4 | -21.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1487 | D | 28 | Very low | 29.3 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -37.7 | 143.7 | 179.9 | -45.1 | -74.9 | 0 | 0 | 0 | 115.7 | ||||
| 1488 | D | 31.7 | Very low | 29.3 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | -162.9 | 132.7 | 88.7 | -117.2 | -27.5 | 0 | 0 | 0 | 117.1 | |||||
| 1489 | I | 27.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 15.8 | 116.7 | 146.4 | -53 | 167.8 | 0 | 0 | 0 | 120.3 | ||||
| 1490 | V | 32.5 | Very low | 29.3 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 137.7 | 156.9 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1491 | P | 32.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 161.7 | -157.3 | 35.6 | -38.1 | 0 | 0 | 0 | 117.9 | ||
| 1492 | L | 26.9 | Very low | 29.2 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 139.3 | -178.6 | -78 | 68.6 | 0 | 0 | 0 | 114.9 | ||
| 1493 | P | 32.7 | Very low | 29.1 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.1 | 150.1 | 32.8 | -31 | 0 | 0 | 0 | 111.1 | V1495 | P1493-V1495 PolarHBondContact O-N 2.86Š|
| 1494 | R | 29.2 | Very low | 29.2 | Very low | 246 Ų | 246 | 140.6 Ų | 140.6 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 118 | -174.2 | -69.1 | 175 | 174.5 | 148.2 | -3.2 | 113.2 | ||
| 1495 | V | 29.4 | Very low | 29.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 131.2 | 162.4 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | P1493 | P1493-V1495 PolarHBondContact O-N 2.86Š|
| 1496 | K | 30.8 | Very low | 29.3 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 124.2 | 169 | -73.6 | -178.9 | 177 | 177.2 | 0 | 110 | ||
| 1497 | H | 28.9 | Very low | 29.2 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 157.1 | 156.6 | -65 | -77.2 | 0 | 0 | 0 | 109.9 | ||
| 1498 | P | 32.3 | Very low | 29.4 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | -134.3 | 162.4 | 103 | 38.4 | -30.4 | 0 | 0 | 0 | 114.2 | |||||
| 1499 | T | 26.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -90 | 118.6 | 178.2 | 48 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1500 | T | 26.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | trans | -143.5 | 131.1 | 165.1 | -44.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1501 | I | 27.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 76% | 0.759 | 64% | 0.643 | S | S | * | * | trans | -103.3 | 97.2 | 169.2 | -60.7 | 178.3 | 0 | 0 | 0 | 107.4 | Y1503 | I1501-Y1503 HydrophobicContact CG2-CD2 4.41Å; I1501-Y1503 HydrophobicContact CG2-CE2 4.24Å; I1501-Y1503 PolarHBondContact O-N 3.16Å | ||
| 1502 | D | 26.5 | Very low | 29.1 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | trans | -69.2 | 97.1 | -179.4 | -82.4 | -16.7 | 0 | 0 | 0 | 111.4 | V1504 | D1502-V1504 VanDerWaalsContact C-N 3.26Å; D1502-V1504 WeakPolarHBondContact O-CG2 3.39Å; D1502-V1504 PolarHBondContact O-N 2.61Å | ||
| 1503 | Y | 28.4 | Very low | 29.4 | Very low | 169 Ų | 169 | 127 Ų | 127 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | trans | -69.5 | 85.6 | 165 | -87.5 | -84.4 | 0 | 0 | 0 | 110.2 | I1501 T1505 | I1501-Y1503 HydrophobicContact CG2-CD2 4.41Å; I1501-Y1503 HydrophobicContact CG2-CE2 4.24Å; I1501-Y1503 PolarHBondContact O-N 3.16Å; Y1503-T1505 PolarHBondContact O-N 2.92Å; Y1503-T1505 VanDerWaalsContact O-N 3.16Å | ||
| 1504 | V | 29.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | trans | -62.4 | 116.5 | 174.8 | -133.4 | 0 | 0 | 0 | 0 | 109.4 | R865 D1502 | R865-V1504 VanDerWaalsContact CZ-CB 3.42Å; R865-V1504 PolarHBondContact NH2-O 3.03Å; D1502-V1504 VanDerWaalsContact C-N 3.26Å; D1502-V1504 WeakPolarHBondContact O-CG2 3.39Å; D1502-V1504 PolarHBondContact O-N 2.61Å | ||
| 1505 | T | 29 | Very low | 29.4 | Very low | 56 Ų | 56 | 127 Ų | 127 | 34% | 0.344 | 63% | 0.629 | S | S | . | * | trans | -95.6 | 114.1 | -179.7 | 37.3 | 0 | 0 | 0 | 0 | 110.3 | Q441 R865 Y1503 | Q441-T1505 PolarHBondContact OE1-OG1 3Å; R865-T1505 WeakPolarHBondContact CD-O 3.46Å; R865-T1505 WeakPolarHBondContact CG-O 3.35Å; R865-T1505 PolarHBondContact NE-O 2.79Å; Y1503-T1505 PolarHBondContact O-N 2.92Å; Y1503-T1505 VanDerWaalsContact O-N 3.16Å | ||
| 1506 | Y | 29.2 | Very low | 29.4 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 31% | 0.314 | 63% | 0.626 | S | S | . | * | trans | -83.6 | 146 | -177 | -95.4 | -43.5 | 0 | 0 | 0 | 109.5 | R858 M861 R862 R865 | R858-Y1506 HydrophobicContact CG-CE2 4.48Å; M861-Y1506 HydrophobicContact CB-CD1 3.2Å; M861-Y1506 HydrophobicContact CB-CE1 3.92Å; M861-Y1506 HydrophobicContact CB-CG 3.65Å; M861-Y1506 VanDerWaalsContact CE-C 3.45Å; M861-Y1506 VanDerWaalsContact CE-CB 3.43Å; M861-Y1506 WeakPolarHBondContact CE-O 3.3Å; M861-Y1506 HydrophobicContact CG-CD1 4.14Å; M861-Y1506 HydrophobicContact CG-CG 4.11Å; R862-Y1506 HydrophobicContact CG-CE1 3.97Å; R862-Y1506 PolarHBondContact NE-OH 3.49Å; R862-Y1506 VanDerWaalsContact NE-OH 3.11Å; R865-Y1506 VanDerWaalsContact NE-CD1 3.31Å; R865-Y1506 VanDerWaalsContact NH1-CD1 3.26Å; R865-Y1506 VanDerWaalsContact NH2-N 3.17Å | ||
| 1507 | D | 26.4 | Very low | 29.3 | Very low | 48 Ų | 48 | 125.6 Ų | 125.6 | 26% | 0.257 | 63% | 0.626 | S | S | . | * | trans | -143.3 | 104 | -167 | -177 | 16.6 | 0 | 0 | 0 | 116.8 | M861 K864 | M861-D1507 VanDerWaalsContact CA-O 3.28Å; M861-D1507 WeakPolarHBondContact CA-O 3.22Å; M861-D1507 WeakPolarHBondContact SD-CA 3.43Å; M861-D1507 PolarHBondContact SD-N 2.75Å; K864-D1507 HydrophobicContact CB-CB 3.9Å; K864-D1507 WeakPolarHBondContact CB-O 2.98Å; K864-D1507 WeakPolarHBondContact CB-OD2 3.34Å; K864-D1507 WeakPolarHBondContact CE-O 3.5Å; K864-D1507 VanDerWaalsContact NZ-CG 3.32Å; K864-D1507 PolarHBondContact NZ-O 2.99Å; K864-D1507 IonicContact NZ-OD1 2.66Å; K864-D1507 PolarHBondContact NZ-OD1 2.84Å; K864-D1507 IonicContact NZ-OD2 3.17Å | ||
| 1508 | E | 32.9 | Very low | 29.2 | Very low | 19 Ų | 19 | 127.7 Ų | 127.7 | 9% | 0.089 | 63% | 0.627 | C | S | . | * | trans | -156.9 | 151.3 | 179.9 | -67.6 | -170.8 | -125.3 | 0 | 0 | 106.9 | P856 W857 R858 R859 S860 M861 | P856-E1508 VanDerWaalsContact O-OE1 3.12Å; W857-E1508 WeakPolarHBondContact CA-OE1 3.45Å; W857-E1508 WeakPolarHBondContact CA-OE2 3.39Å; W857-E1508 HydrophobicContact CD2-CB 4.17Å; W857-E1508 HydrophobicContact CG-CB 4Å; W857-E1508 WeakPolarHBondContact CZ2-O 3.49Å; R858-E1508 PolarHBondContact N-OE1 3.49Å; R859-E1508 PolarHBondContact N-OE1 2.57Å; S860-E1508 VanDerWaalsContact CA-CD 3.47Å; S860-E1508 WeakPolarHBondContact CA-OE1 3.32Å; S860-E1508 VanDerWaalsContact CB-OE2 3.23Å; S860-E1508 WeakPolarHBondContact CB-OE2 3.49Å; S860-E1508 VanDerWaalsContact N-CD 3.27Å; S860-E1508 PolarHBondContact N-OE1 2.76Å; S860-E1508 PolarHBondContact N-OE2 3.1Å; M861-E1508 HydrophobicContact CB-CG 3.98Å; M861-E1508 HydrophobicContact CG-CB 4.03Å; M861-E1508 HydrophobicContact CG-CG 3.54Å; M861-E1508 VanDerWaalsContact CG-OE1 3.25Å; M861-E1508 WeakPolarHBondContact CG-OE1 3.34Å; M861-E1508 PolarHBondContact N-OE1 2.71Å; M861-E1508 HydrophobicContact SD-CB 3.48Å; M861-E1508 WeakPolarHBondContact SD-CB 3.5Å; M861-E1508 HydrophobicContact SD-CG 3.63Å; M861-E1508 PolarHBondContact SD-N 3.36Å | ||
| 1509 | I | 29.1 | Very low | 29 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | cis | 69.9 | 87 | -2.5 | -45.4 | -174.7 | 0 | 0 | 0 | 118.3 | K864 | K864-I1509 VanDerWaalsContact NZ-CD1 3.29Å; K864-I1509 VanDerWaalsContact NZ-CG1 3.33Å | ||
| 1510 | R | 29.9 | Very low | 29 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | trans | 58.2 | 116.1 | 142.1 | -59.1 | -176.4 | -176.1 | -168.2 | 1.6 | 119.7 | ||||
| 1511 | S | 29.4 | Very low | 29 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | trans | -157 | 112.5 | 131.1 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1512 | Y | 29.9 | Very low | 28.9 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 75% | 0.753 | 63% | 0.627 | S | S | * | * | trans | -73.6 | 165.3 | 161.4 | -104.8 | -101 | 0 | 0 | 0 | 111.4 | ||||
| 1513 | D | 32.4 | Very low | 28.9 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | trans | 28.1 | 133.5 | 162.4 | -89.6 | -60.9 | 0 | 0 | 0 | 122.4 | ||||
| 1514 | K | 31.7 | Very low | 28.8 | Very low | 206 Ų | 206 | 125.6 Ų | 125.6 | 90% | 0.896 | 63% | 0.629 | S | S | * | * | trans | -142.4 | 85.7 | 152 | -163.6 | 173.9 | -172.7 | 178.4 | 0 | 111.9 | ||||
| 1515 | K | 31.8 | Very low | 28.7 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | trans | -64.9 | 144 | 166.4 | -75.5 | 172.5 | -179.4 | 162.3 | 0 | 110.9 | ||||
| 1516 | N | 28.6 | Very low | 28.8 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | trans | 39.8 | 109.2 | 150.2 | -55.6 | 3.7 | 0 | 0 | 0 | 118.5 | ||||
| 1517 | N | 29.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | 176.7 | 130.5 | 103.9 | -88 | -19.6 | 0 | 0 | 0 | 110.9 | |||||
| 1518 | R | 26.4 | Very low | 28.9 | Very low | 213 Ų | 213 | 141 Ų | 141 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -115.4 | 130.5 | 157.7 | -161 | 177.7 | -171 | -176 | 0.4 | 108.5 | ||||
| 1519 | F | 27.6 | Very low | 28.9 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | -48.2 | 135.1 | 167.2 | -78.7 | -114.9 | 0 | 0 | 0 | 109.5 | ||||
| 1520 | S | 26.6 | Very low | 28.9 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 60.6 | 105.9 | 64.6 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1521 | S | 26.1 | Very low | 28.9 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | trans | -155.1 | 103.1 | 161.7 | 61 | 0 | 0 | 0 | 0 | 112 | ||||
| 1522 | N | 25.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 70 | 155.4 | 150.9 | -45.6 | -22.1 | 0 | 0 | 0 | 116 | ||||
| 1523 | T | 26.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | cis | -152.1 | 167 | 16.9 | -29.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1524 | T | 27.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | 70.9 | 123.2 | 153 | 35.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1525 | T | 27.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | 71.7 | 116.9 | 137.8 | 54.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1526 | G | 29.6 | Very low | 28.6 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 94.9 | 143.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1527 | Q | 31.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 94% | 0.939 | 75% | 0.747 | S | S | * | * | cis | -158.2 | 166.7 | -15.9 | -132.8 | 167.3 | 0.1 | 0 | 0 | 110.4 | ||||
| 1528 | R | 27.8 | Very low | 29.2 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | -75.8 | 168.2 | 176.2 | -92.3 | 172.8 | 169.7 | -171 | -3.3 | 112.1 | Y1530 | R1528-Y1530 HydrophobicContact CG-CE2 4.49Å; R1528-Y1530 PolarHBondContact NH1-OH 2.82Å; R1528-Y1530 PolarHBondContact NH2-OH 3.01Å; R1528-Y1530 VanDerWaalsContact NH2-OH 3.16Å | ||
| 1529 | P | 33.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -136.6 | 162.7 | 39.4 | 22.1 | 5.2 | 0 | 0 | 0 | 116.8 | ||||
| 1530 | Y | 28.5 | Very low | 29.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | 51.9 | 147.9 | 91.2 | -57.6 | -74.7 | 0 | 0 | 0 | 116.4 | R1528 I1532 | R1528-Y1530 HydrophobicContact CG-CE2 4.49Å; R1528-Y1530 PolarHBondContact NH1-OH 2.82Å; R1528-Y1530 PolarHBondContact NH2-OH 3.01Å; R1528-Y1530 VanDerWaalsContact NH2-OH 3.16Å; Y1530-I1532 HydrophobicContact CD1-CD1 4.09Å | |||
| 1531 | S | 30 | Very low | 29.8 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -156.1 | 155.4 | 30 | -22.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1532 | I | 30.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | 61.9 | 132.4 | 72.9 | -52.4 | 169.3 | 0 | 0 | 0 | 111.9 | Y1530 | Y1530-I1532 HydrophobicContact CD1-CD1 4.09Š| |||
| 1533 | D | 29.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -146.9 | 154 | 0 | -112 | -18.3 | 0 | 0 | 0 | 107.8 | ||||
| 1534 | S | 30 | Very low | 30.1 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | 81.3 | 135.5 | 59.3 | -49.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1535 | N | 31.1 | Very low | 30.1 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 98.4 | 138.8 | 137.2 | -80.4 | -24 | 0 | 0 | 0 | 124.9 | ||||
| 1536 | C | 28.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 72% | 0.716 | 74% | 0.74 | S | S | * | * | trans | 78.9 | 150.5 | 145.1 | -72 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1537 | I | 31.6 | Very low | 30 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | cis | -170 | 156.5 | -39.4 | -118.9 | 167.8 | 0 | 0 | 0 | 107.4 | ||||
| 1538 | P | 37.2 | Very low | 30 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -98.8 | 170.8 | -161.1 | 39.2 | -38.1 | 0 | 0 | 0 | 115.4 | ||||
| 1539 | L | 29.4 | Very low | 29.9 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -148.5 | 155 | 153.2 | -84 | 153.4 | 0 | 0 | 0 | 106.5 | ||||
| 1540 | N | 30.7 | Very low | 29.5 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | 166.4 | 175.7 | -16.7 | 179.3 | 17.6 | 0 | 0 | 0 | 105 | ||||
| 1541 | S | 33.6 | Very low | 29.6 | Very low | 93 Ų | 93 | 126.3 Ų | 126.3 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 67.3 | 83.9 | 161.8 | 54.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1542 | N | 27.5 | Very low | 29.3 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | 20.3 | 110.4 | 113.8 | -55.3 | -12.1 | 0 | 0 | 0 | 118 | |||||
| 1543 | N | 32 | Very low | 29.1 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | -168.5 | 133.4 | 126.1 | -91.2 | -48.1 | 0 | 0 | 0 | 106.8 | |||||
| 1544 | R | 26.3 | Very low | 28.8 | Very low | 213 Ų | 213 | 124 Ų | 124 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 73.4 | 134.8 | 54.6 | -163.6 | -166.5 | 176.1 | -169.1 | -0.4 | 111.7 | |||||
| 1545 | L | 25.9 | Very low | 28.7 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | trans | 75.3 | 122.5 | -169.2 | -67.5 | 107.1 | 0 | 0 | 0 | 112.3 | ||||
| 1546 | V | 27.4 | Very low | 28.4 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | cis | 95.8 | 137.6 | 46.9 | 162.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1547 | A | 28.4 | Very low | 28.3 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | 63.5 | 130.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1548 | G | 30.7 | Very low | 28.2 | Very low | 57 Ų | 57 | 125.3 Ų | 125.3 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | cis | -160.7 | 149.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1549 | T | 26 | Very low | 27.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | 50.9 | 121.6 | 63.2 | 68.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 1550 | S | 25.5 | Very low | 27.7 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 66.4 | 131.8 | -176.3 | -71 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1551 | T | 29.7 | Very low | 27.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | cis | -130.5 | 133.8 | 6 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1552 | V | 24.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | cis | 62.5 | 155.1 | 35.8 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1553 | V | 24.8 | Very low | 27.8 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | 63.5 | 72.5 | -178.5 | -160.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1554 | S | 24.2 | Very low | 27.6 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | 60.2 | 163.1 | 52.6 | -40.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1555 | S | 27.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | trans | 42.7 | 100.9 | 144.6 | 61.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 1556 | M | 26.2 | Very low | 27.8 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 94% | 0.941 | 71% | 0.712 | S | S | * | * | S | Bend | -128.9 | 96.7 | 127.3 | -64.2 | -170.8 | 179.8 | 0 | 0 | 104.8 | |||
| 1557 | L | 25.8 | Very low | 27.9 | Very low | 163 Ų | 163 | 125.4 Ų | 125.4 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | S | Bend | cis | -130.9 | 161.5 | 42.2 | -68.9 | 117.3 | 0 | 0 | 0 | 112.8 | ||
| 1558 | S | 29.1 | Very low | 28.1 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | cis | -162.9 | 155.3 | -23.3 | -162.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1559 | S | 28 | Very low | 28 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 57% | 0.573 | 70% | 0.699 | S | S | * | * | trans | 9.9 | 144.6 | 147 | 61.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1560 | D | 29 | Very low | 28.2 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | cis | -173.3 | 166.6 | -8.8 | -100 | -40.9 | 0 | 0 | 0 | 108.9 | ||||
| 1561 | H | 33.3 | Very low | 28.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | 61.4 | 163.5 | 165.4 | -66.4 | -68.1 | 0 | 0 | 0 | 118.4 | ||||
| 1562 | E | 30 | Very low | 28.5 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | cis | -168 | 173.2 | -49.5 | -132.7 | -170.8 | 122.6 | 0 | 0 | 108.7 | ||||
| 1563 | V | 29.2 | Very low | 28.7 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | trans | 51.8 | 93.8 | 149.7 | 172.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1564 | Q | 28.8 | Very low | 29 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | 93.8 | 149.7 | 64.8 | 168.2 | -179.1 | 112.9 | 0 | 0 | 114.1 | |||||
| 1565 | R | 27.1 | Very low | 29.3 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | 74.2 | 142.4 | 168.8 | -82.5 | 164.5 | -136.1 | -149.8 | 6.8 | 115.8 | ||||
| 1566 | R | 28.9 | Very low | 29.6 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | cis | -172.6 | 178.6 | -18.1 | -131.9 | -173.5 | -157.8 | -179.1 | 2 | 108.7 | ||||
| 1567 | I | 29.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 139 Ų | 139 | 62% | 0.621 | 73% | 0.726 | S | S | * | * | trans | 76 | 106.3 | 143.4 | -80.7 | 163.6 | 0 | 0 | 0 | 117.5 | ||||
| 1568 | N | 31.6 | Very low | 30.4 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | 72.4 | 155.2 | 128.3 | -61.4 | 13.1 | 0 | 0 | 0 | 121 | |||||
| 1569 | A | 29.3 | Very low | 30.4 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 58% | 0.579 | 73% | 0.727 | S | S | * | * | cis | -175.7 | 175.3 | -26.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1570 | M | 30.6 | Very low | 30.5 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 90% | 0.897 | 73% | 0.726 | S | S | * | * | trans | 71.7 | 161.3 | 159.7 | -59.3 | -173.4 | -161.6 | 0 | 0 | 117.2 | ||||
| 1571 | K | 28.7 | Very low | 30.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | cis | -175 | 157.8 | -31.6 | 177.6 | 169.8 | 175.1 | -175.6 | 0 | 107 | D1573 | K1571-D1573 WeakPolarHBondContact CE-OD2 3.32Å; K1571-D1573 WeakPolarHBondContact CG-OD2 3.49Å; K1571-D1573 IonicContact NZ-OD2 3.94Å | ||
| 1572 | G | 31.9 | Very low | 30.4 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | 119.9 | 98.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1573 | D | 29.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | cis | 64.4 | 107.5 | 45 | -45.3 | -45.8 | 0 | 0 | 0 | 112.6 | K1571 | K1571-D1573 WeakPolarHBondContact CE-OD2 3.32Å; K1571-D1573 WeakPolarHBondContact CG-OD2 3.49Å; K1571-D1573 IonicContact NZ-OD2 3.94Å | ||
| 1574 | S | 31.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 171.4 | 107.2 | 133.3 | -71.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1575 | D | 30 | Very low | 30.6 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | 25.2 | 143.6 | 128.3 | -43.7 | -42.8 | 0 | 0 | 0 | 119.5 | |||||
| 1576 | S | 32.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | cis | -152.9 | 164.1 | 35 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1577 | R | 29.3 | Very low | 30.8 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | trans | -98.2 | 174.8 | -178.7 | -117 | -161.7 | 160 | -149.8 | -1.9 | 112.3 | ||||
| 1578 | P | 40.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -103.5 | 179.6 | -169.6 | 42.1 | -38.2 | 0 | 0 | 0 | 115 | ||||
| 1579 | L | 29.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -132.3 | 139.7 | 149.1 | -69.6 | 93.5 | 0 | 0 | 0 | 106.9 | ||||
| 1580 | S | 29.7 | Very low | 30.9 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 57% | 0.566 | 77% | 0.769 | S | S | * | * | cis | 97 | 139.2 | 23.7 | 86.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1581 | D | 30 | Very low | 31.1 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 156.5 | 160.6 | -39.2 | -50.1 | 0 | 0 | 0 | 117.8 | ||||
| 1582 | A | 30.3 | Very low | 31.1 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | cis | -137.9 | 149.5 | -10.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1583 | M | 31 | Very low | 31.2 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | 63.5 | 165.2 | 74 | -120.8 | -171.5 | -170.8 | 0 | 0 | 115.8 | |||||
| 1584 | I | 32.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | 77.4 | 133.9 | -179.7 | -52.3 | 172 | 0 | 0 | 0 | 115 | ||||
| 1585 | S | 28.7 | Very low | 31.3 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | cis | -162.8 | 177.3 | -23.7 | 63.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1586 | N | 28.2 | Very low | 31.3 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -66.9 | 145.1 | 170.5 | -53.4 | -70.6 | 0 | 0 | 0 | 112 | ||||
| 1587 | H | 33.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 154.2 Ų | 154.2 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -155.3 | 142.9 | 141.1 | -101.2 | -66.9 | 0 | 0 | 0 | 114.3 | ||||
| 1588 | Y | 29.5 | Very low | 31.1 | Very low | 189 Ų | 189 | 150 Ų | 150 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -42.3 | 151.6 | 169.5 | -74.9 | -112.7 | 0 | 0 | 0 | 114.1 | ||||
| 1589 | Y | 30.9 | Very low | 30.5 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | -166.9 | 161.5 | 68.2 | -100 | -76.1 | 0 | 0 | 0 | 114.7 | |||||
| 1590 | D | 31.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -57.5 | 145.7 | 163.1 | -71.5 | -77.3 | 0 | 0 | 0 | 112.9 | ||||
| 1591 | L | 35 | Very low | 30.2 | Very low | 156 Ų | 156 | 153 Ų | 153 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -153.8 | 106.4 | 142.6 | -121.2 | 165.6 | 0 | 0 | 0 | 113.1 | R1593 | L1591-R1593 PolarHBondContact O-N 2.92Š| ||
| 1592 | N | 29.2 | Very low | 30.1 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -64.9 | 112.7 | 173.2 | -148.4 | -15.8 | 0 | 0 | 0 | 109.7 | ||||
| 1593 | R | 32.3 | Very low | 30.2 | Very low | 202 Ų | 202 | 157.5 Ų | 157.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -129.8 | 82.8 | 174 | -107.6 | -171.4 | 177.7 | -163.3 | 0.2 | 112.7 | L1591 I1595 | L1591-R1593 PolarHBondContact O-N 2.92Å; R1593-I1595 PolarHBondContact O-N 3.14Å; R1593-I1595 VanDerWaalsContact O-N 3.12Å | ||
| 1594 | N | 30 | Very low | 30.1 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -57.6 | 108.3 | 154.5 | -101.8 | -28.5 | 0 | 0 | 0 | 109.4 | ||||
| 1595 | I | 33.6 | Very low | 30 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 59% | 0.59 | 76% | 0.758 | S | S | * | * | trans | -129.6 | 91.7 | 161.1 | -56.2 | -177 | 0 | 0 | 0 | 107.9 | R1593 Y1597 | R1593-I1595 PolarHBondContact O-N 3.14Å; R1593-I1595 VanDerWaalsContact O-N 3.12Å; I1595-Y1597 HydrophobicContact CG2-CD2 4.08Å | ||
| 1596 | N | 29.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -78.7 | 112.8 | 165.2 | 169.7 | 38.9 | 0 | 0 | 0 | 108.5 | ||||
| 1597 | Y | 30.4 | Very low | 30.4 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -143.3 | 146.9 | 163.4 | -99.5 | -75.1 | 0 | 0 | 0 | 111.8 | I1595 | I1595-Y1597 HydrophobicContact CG2-CD2 4.08Š| ||
| 1598 | Q | 28.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -85.1 | 178 | 179.1 | -67.2 | 162.7 | -113.4 | 0 | 0 | 111.5 | ||||
| 1599 | E | 25.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 0.5 | 122.7 | 155.5 | -60.3 | 167.8 | 108.7 | 0 | 0 | 117.6 | ||||
| 1600 | I | 29.1 | Very low | 30.5 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | -153.1 | 138.4 | 134.4 | -101.1 | 145 | 0 | 0 | 0 | 108.4 | M907 | M907-I1600 HydrophobicContact CE-CD1 3.76Š| ||
| 1601 | S | 25.5 | Very low | 30.6 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | -102.2 | 156 | 170.7 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1602 | M | 27.2 | Very low | 30.6 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 77% | 0.768 | 73% | 0.729 | S | S | * | * | trans | 67.8 | 154.3 | 174.1 | -66.4 | 126.2 | 171.9 | 0 | 0 | 114.7 | ||||
| 1603 | E | 31.8 | Very low | 30.6 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 77% | 0.771 | 73% | 0.729 | S | S | * | * | cis | -177.9 | -169.1 | -15.2 | 179 | 155.6 | -148.8 | 0 | 0 | 106.3 | ||||
| 1604 | S | 29.2 | Very low | 30.8 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | 75.1 | 146.8 | 169.6 | 83.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1605 | S | 31.3 | Very low | 30.9 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | cis | -166.4 | 162.8 | -16.7 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1606 | L | 34.9 | Very low | 30.7 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | -167.9 | 120.1 | 132.6 | -104 | 176.3 | 0 | 0 | 0 | 110.3 | ||||
| 1607 | Q | 30.3 | Very low | 30.6 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | trans | 60 | 146.6 | 161.9 | -68.8 | 164.8 | -77.8 | 0 | 0 | 117.4 | ||||
| 1608 | E | 32.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | cis | -151 | 150.4 | 6.5 | -146.8 | 134.9 | -123.8 | 0 | 0 | 110.3 | ||||
| 1609 | E | 31.5 | Very low | 30.3 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | 48.9 | 143.9 | 153.3 | -70.1 | -164.4 | 152.7 | 0 | 0 | 122.6 | ||||
| 1610 | E | 30.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 56% | 0.561 | 71% | 0.707 | S | S | * | * | cis | -158.3 | 160.7 | -10 | -135.4 | -162.1 | 167.8 | 0 | 0 | 114.4 | ||||
| 1611 | K | 34 | Very low | 30 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | trans | 53.1 | 118.2 | 150.9 | -80.9 | 173.8 | -168.9 | 127.4 | 0 | 121.8 | ||||
| 1612 | R | 34.3 | Very low | 29.9 | Very low | 215 Ų | 215 | 133.9 Ų | 133.9 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | trans | 83.8 | 108.9 | 137.9 | -63.6 | 170 | -176.9 | 176.1 | 0.1 | 117 | ||||
| 1613 | N | 31 | Very low | 29.9 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | cis | 69.8 | 137.8 | 34.9 | -155.8 | 43.6 | 0 | 0 | 0 | 113.5 | ||||
| 1614 | P | 36.2 | Very low | 30.6 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | -126.9 | -172.6 | -59.7 | 38.7 | -24.2 | 0 | 0 | 0 | 110.4 | |||||
| 1615 | N | 32.4 | Very low | 30.7 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | -176.8 | 135.3 | 125.3 | -96.4 | -28.7 | 0 | 0 | 0 | 114.3 | |||||
| 1616 | H | 28.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 133 Ų | 133 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | 23.3 | 114.2 | 129.7 | -71.3 | -90.4 | 0 | 0 | 0 | 118.3 | |||||
| 1617 | Q | 26.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | 90.3 | 162.5 | 67.4 | -87.8 | -174.4 | -5.6 | 0 | 0 | 113.5 | |||||
| 1618 | I | 27.7 | Very low | 31 | Very low | 136 Ų | 136 | 128 Ų | 128 | 70% | 0.697 | 66% | 0.664 | S | S | * | * | trans | 86.8 | 128.7 | 148.4 | -83.9 | 154.8 | 0 | 0 | 0 | 118.9 | ||||
| 1619 | L | 24.9 | Very low | 30.8 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 72% | 0.723 | 66% | 0.658 | S | S | * | * | trans | 66.8 | 87.8 | 157.4 | -96.2 | 45.7 | 0 | 0 | 0 | 122 | ||||
| 1620 | C | 24.4 | Very low | 30.6 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 72% | 0.723 | 66% | 0.655 | S | S | * | * | 70.8 | 176.6 | 128.7 | -56.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1621 | K | 24.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | trans | 76.8 | 127.8 | 154.5 | -62.2 | 166.5 | 128.2 | -98.4 | 0 | 117.6 | S931 L932 | S931-K1621 WeakPolarHBondContact O-CB 3.31Å; S931-K1621 WeakPolarHBondContact O-CD 3.44Å; S931-K1621 WeakPolarHBondContact O-CE 3.08Å; S931-K1621 WeakPolarHBondContact O-CG 3.5Å; S931-K1621 PolarHBondContact O-NZ 3.04Å; L932-K1621 WeakPolarHBondContact CD2-O 3.32Å; L932-K1621 PolarHBondContact O-NZ 3.26Å | ||
| 1622 | S | 24.5 | Very low | 30 | Very low | 43 Ų | 43 | 122 Ų | 122 | 30% | 0.301 | 64% | 0.641 | S | S | . | * | cis | 132.2 | 168.7 | -17.2 | 166.6 | 0 | 0 | 0 | 0 | 115 | P930 L932 | P930-S1622 WeakPolarHBondContact CD-OG 3.05Å; P930-S1622 WeakPolarHBondContact CG-OG 3.39Å; L932-S1622 WeakPolarHBondContact CA-O 3.35Å; L932-S1622 WeakPolarHBondContact CB-O 3.36Å; L932-S1622 WeakPolarHBondContact CD1-O 2.87Å; L932-S1622 WeakPolarHBondContact CG-O 2.91Å; L932-S1622 PolarHBondContact N-O 2.73Å | ||
| 1623 | H | 26.8 | Very low | 29.8 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 61% | 0.606 | 63% | 0.632 | S | S | * | * | trans | 62.7 | 151.2 | -164.5 | -67.4 | -52.4 | 0 | 0 | 0 | 116.3 | S931 | S931-H1623 PolarHBondContact OG-NE2 2.69Š| ||
| 1624 | P | 46.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | trans | -93.9 | 165.1 | -172.5 | 42.1 | -39.5 | 0 | 0 | 0 | 112.7 | ||||
| 1625 | P | 31 | Very low | 30 | Very low | 116 Ų | 116 | 118 Ų | 118 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | -149.2 | 167.1 | 84.1 | 40.1 | -21.7 | 0 | 0 | 0 | 118 | |||||
| 1626 | L | 34.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 117.3 Ų | 117.3 | 81% | 0.812 | 63% | 0.626 | S | S | * | * | trans | -25.2 | 169 | 141.3 | -67.4 | 165.2 | 0 | 0 | 0 | 116.9 | ||||
| 1627 | P | 40 | Very low | 30.6 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 47% | 0.474 | 63% | 0.627 | S | S | . | * | cis | -145.4 | -152.5 | -33.1 | 41.2 | -21 | 0 | 0 | 0 | 111.9 | L1629 | P1627-L1629 HydrophobicContact CG-CB 3.64Å; P1627-L1629 HydrophobicContact CG-CD1 3.56Å; P1627-L1629 HydrophobicContact CG-CG 3.45Å; P1627-L1629 VanDerWaalsContact CG-CG 3.45Å | ||
| 1628 | P | 28 | Very low | 31.1 | Very low | 114 Ų | 114 | 114.8 Ų | 114.8 | 74% | 0.74 | 63% | 0.626 | S | S | * | * | -117.7 | 136.4 | 107.5 | 32.6 | -32.5 | 0 | 0 | 0 | 111.5 | |||||
| 1629 | L | 29.1 | Very low | 31.2 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 55% | 0.55 | 63% | 0.625 | S | S | . | * | cis | 39.3 | 121.6 | 24.7 | -62 | 175.4 | 0 | 0 | 0 | 114 | L953 P1627 | L953-L1629 VanDerWaalsContact CD1-N 3.35Å; P1627-L1629 HydrophobicContact CG-CB 3.64Å; P1627-L1629 HydrophobicContact CG-CD1 3.56Å; P1627-L1629 HydrophobicContact CG-CG 3.45Å; P1627-L1629 VanDerWaalsContact CG-CG 3.45Å | ||
| 1630 | W | 25.7 | Very low | 31.6 | Very low | 188 Ų | 188 | 115 Ų | 115 | 71% | 0.712 | 62% | 0.622 | S | S | * | * | cis | -109 | -167.6 | 46.1 | -65.2 | -57.7 | 0 | 0 | 0 | 116.7 | E952 L953 | E952-W1630 HydrophobicContact CB-CB 4.3Å; E952-W1630 HydrophobicContact CG-CB 3.83Å; E952-W1630 VanDerWaalsContact OE1-CB 3.31Å; E952-W1630 WeakPolarHBondContact OE1-CB 3.48Å; L953-W1630 WeakPolarHBondContact CB-O 3.2Å; L953-W1630 VanDerWaalsContact CD1-O 3.3Å; L953-W1630 WeakPolarHBondContact CD1-O 3.2Å | ||
| 1631 | S | 25.9 | Very low | 31.8 | Very low | 47 Ų | 47 | 116.1 Ų | 116.1 | 33% | 0.329 | 62% | 0.616 | S | S | . | * | trans | -97.8 | -146.6 | -147.8 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | E952 | E952-S1631 WeakPolarHBondContact CB-O 3.42Å; E952-S1631 VanDerWaalsContact CD-C 3.48Å; E952-S1631 WeakPolarHBondContact OE1-CA 3.18Å; E952-S1631 WeakPolarHBondContact OE1-CB 3.22Å; E952-S1631 PolarHBondContact OE1-N 3.09Å; E952-S1631 PolarHBondContact OE1-OG 3.23Å; E952-S1631 PolarHBondContact OE2-OG 3.12Å | ||
| 1632 | N | 28.1 | Very low | 32 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 51% | 0.508 | 63% | 0.625 | S | S | . | * | cis | -149.5 | 140.4 | 2.1 | -140 | -12.9 | 0 | 0 | 0 | 115.3 | E952 | E952-N1632 WeakPolarHBondContact OE2-CB 3.4Å; E952-N1632 PolarHBondContact OE2-N 3.41Å | ||
| 1633 | N | 29.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | trans | 70.1 | 134.1 | 142.3 | -85.5 | -22 | 0 | 0 | 0 | 124 | ||||
| 1634 | N | 37 | Very low | 32.5 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 69% | 0.69 | 64% | 0.644 | S | S | * | * | trans | 93.1 | 125.9 | 145.4 | -61.7 | -22.1 | 0 | 0 | 0 | 120.4 | ||||
| 1635 | N | 34.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | cis | -164.9 | 166 | -22.1 | -135.4 | -17.4 | 0 | 0 | 0 | 113.8 | ||||
| 1636 | I | 37.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | 72.3 | 105.2 | 145.5 | -76.6 | 161.8 | 0 | 0 | 0 | 119.8 | ||||
| 1637 | N | 36.3 | Very low | 31.2 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | 75.4 | 116.2 | 127.3 | -62 | 9.4 | 0 | 0 | 0 | 119.6 | |||||
| 1638 | T | 35 | Very low | 30.7 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | 73.9 | 159.4 | 68.6 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1639 | M | 31.7 | Very low | 30.8 | Very low | 135 Ų | 135 | 127 Ų | 127 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | cis | -151.7 | 127.8 | 10.5 | -135.4 | 130.9 | 173.2 | 0 | 0 | 106.8 | ||||
| 1640 | E | 32.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | 95.7 | 149.3 | 91.2 | -90.4 | -175.2 | -170.2 | 0 | 0 | 117.4 | |||||
| 1641 | H | 29.5 | Very low | 31 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 61% | 0.611 | 65% | 0.65 | S | S | * | * | trans | 88.2 | 97.8 | 139.3 | -88.4 | -127.5 | 0 | 0 | 0 | 124.7 | ||||
| 1642 | F | 29.4 | Very low | 31.4 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | 78.3 | 110.8 | 109.3 | -95 | -119.2 | 0 | 0 | 0 | 122.2 | |||||
| 1643 | N | 31.2 | Very low | 31.5 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | 104.9 | 145.9 | 109.4 | -147.6 | 10.7 | 0 | 0 | 0 | 121.6 | |||||
| 1644 | K | 28.8 | Very low | 31.6 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 67% | 0.674 | 68% | 0.678 | S | S | * | * | trans | 63 | 110.9 | 151.2 | -93 | 167.6 | -175.4 | -179.2 | 0 | 122.8 | ||||
| 1645 | N | 26.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | 63.4 | 155.6 | 118.3 | -63 | 16 | 0 | 0 | 0 | 122.1 | |||||
| 1646 | H | 30.5 | Very low | 31.3 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | trans | 72.4 | 151.4 | 172.1 | -62.6 | -88.2 | 0 | 0 | 0 | 116.6 | ||||
| 1647 | A | 28.6 | Very low | 31.1 | Very low | 68 Ų | 68 | 127.1 Ų | 127.1 | 56% | 0.562 | 68% | 0.682 | S | S | * | * | cis | -171.3 | 157.2 | -27.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1648 | I | 29.9 | Very low | 30.8 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | 64.3 | 131.7 | 136.7 | -75.4 | 168.9 | 0 | 0 | 0 | 119.5 | ||||
| 1649 | N | 30.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 70.2 | 153.5 | 157.2 | -69.8 | 2.3 | 0 | 0 | 0 | 119.8 | ||||
| 1650 | T | 28.8 | Very low | 30.6 | Very low | 99 Ų | 99 | 134 Ų | 134 | 61% | 0.607 | 70% | 0.699 | S | S | * | * | cis | -163.7 | 136.7 | -20.5 | 23.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1651 | T | 30.9 | Very low | 30.5 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | 51.5 | 178.1 | 143.8 | 76.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1652 | D | 33.6 | Very low | 30.6 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | cis | -151.3 | 136.9 | 6.2 | -125.8 | -46.9 | 0 | 0 | 0 | 111.8 | ||||
| 1653 | S | 30.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | trans | 64 | 168.7 | 146.7 | 92.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1654 | N | 31.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | cis | -159.6 | 153.3 | -29.1 | -118.2 | -19.8 | 0 | 0 | 0 | 110.8 | ||||
| 1655 | N | 31 | Very low | 30.5 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 58.1 | 131.4 | 142.1 | -62.1 | -24.7 | 0 | 0 | 0 | 123.3 | ||||
| 1656 | N | 34.1 | Very low | 30.5 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | 113.3 | 115.8 | 129.3 | -74.9 | -18.4 | 0 | 0 | 0 | 122.1 | |||||
| 1657 | S | 33.2 | Very low | 30.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | 80.9 | 95.8 | 130 | -170.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1658 | N | 29.5 | Very low | 30.2 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | 35.4 | 121.8 | 113.9 | -50 | -28.4 | 0 | 0 | 0 | 118.8 | |||||
| 1659 | R | 32.1 | Very low | 30.1 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | -178 | 114.6 | 102.6 | -93.1 | 157.2 | -160.4 | -149.5 | 3.9 | 114.3 | |||||
| 1660 | N | 31.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 10.7 | 126.2 | 150.7 | -58 | -2.3 | 0 | 0 | 0 | 122 | ||||
| 1661 | F | 30.3 | Very low | 30 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 91% | 0.908 | 75% | 0.754 | S | S | * | * | 36.1 | 126.5 | 123.5 | -62.5 | -79.7 | 0 | 0 | 0 | 121.6 | |||||
| 1662 | G | 30.6 | Very low | 30 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -151.3 | 131.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1663 | S | 28.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -95.1 | 153.2 | -178.2 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1664 | M | 32.2 | Very low | 30.1 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | -139.2 | 138.8 | 161.3 | -92.1 | -66.4 | 123.5 | 0 | 0 | 110.2 | ||||
| 1665 | D | 27.7 | Very low | 29.9 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -91.5 | 161.1 | 178.4 | -74.5 | -72 | 0 | 0 | 0 | 112.3 | ||||
| 1666 | S | 26.7 | Very low | 29.9 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 129.7 | 148.9 | 72.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1667 | L | 26.9 | Very low | 30 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 56.7 | 133.1 | 132.7 | -65.5 | 169.1 | 0 | 0 | 0 | 121.5 | ||||
| 1668 | Y | 25.6 | Very low | 29.7 | Very low | 205 Ų | 205 | 149 Ų | 149 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 66.1 | 158.1 | 171.7 | -54.5 | -75.9 | 0 | 0 | 0 | 114.4 | ||||
| 1669 | E | 26.5 | Very low | 29.9 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | cis | -142.4 | -178.9 | -6.9 | -141.2 | 163 | 135.4 | 0 | 0 | 111.7 | ||||
| 1670 | T | 27.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -57.7 | 132.2 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1671 | V | 29.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | -138.6 | 110.6 | 157.7 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1672 | D | 31.1 | Very low | 29.6 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | 47.3 | 119.3 | 150.4 | -58 | -19.1 | 0 | 0 | 0 | 123.7 | ||||
| 1673 | L | 29.2 | Very low | 29.4 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -63.8 | 138.8 | 142.6 | -82 | 69.2 | 0 | 0 | 0 | 110.9 | ||||
| 1674 | P | 37.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | -84.6 | 126.5 | 123.9 | 33.2 | -29.9 | 0 | 0 | 0 | 108 | |||||
| 1675 | R | 26.8 | Very low | 29.4 | Very low | 221 Ų | 221 | 136.4 Ų | 136.4 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | 50.7 | 119.8 | 62.1 | -66.4 | 179.6 | 158.9 | 163.6 | -5.5 | 109.7 | |||||
| 1676 | T | 31 | Very low | 29.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | cis | -159.5 | 170.6 | 38.7 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1677 | N | 37.3 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 65.8 | 107.4 | 154.7 | -56.5 | -15.5 | 0 | 0 | 0 | 116.3 | ||||
| 1678 | L | 27.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | cis | 60.5 | 146.3 | 29.2 | -112.7 | 76.6 | 0 | 0 | 0 | 112.3 | ||||
| 1679 | P | 32.1 | Very low | 29.6 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | cis | -146.5 | -171.3 | -43 | 29.6 | -6.9 | 0 | 0 | 0 | 114.9 | ||||
| 1680 | T | 29.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | trans | 76.1 | 168.4 | 146.7 | 19.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1681 | P | 32.4 | Very low | 29.9 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | -128.5 | -96.4 | -126.5 | 37.1 | -13.6 | 0 | 0 | 0 | 113.6 | |||||
| 1682 | M | 27 | Very low | 29.9 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | 73.8 | 112.1 | -169.7 | -51.8 | -158.9 | 71.6 | 0 | 0 | 112.9 | ||||
| 1683 | I | 25.7 | Very low | 30 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | 75.5 | 89.8 | 52.7 | -58.1 | 162.3 | 0 | 0 | 0 | 110.5 | |||||
| 1684 | T | 33.4 | Very low | 29.9 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | 64.8 | -172.5 | 156 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1685 | P | 28.1 | Very low | 29.5 | Very low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | cis | -137 | 172.9 | 1 | 41.7 | -22.8 | 0 | 0 | 0 | 117.7 | ||||
| 1686 | T | 25.6 | Very low | 29.6 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | 43 | 127.9 | 142.9 | 53 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1687 | T | 26.3 | Very low | 29.6 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | trans | 70.7 | 156.1 | 142.5 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1688 | M | 28.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | -138.3 | 154.3 | 24.4 | -82.5 | -174.7 | 174.9 | 0 | 0 | 113 | ||||
| 1689 | I | 29.9 | Very low | 29.3 | Very low | 130 Ų | 130 | 133 Ų | 133 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | 42.2 | 124.2 | 124 | -47.9 | 169.4 | 0 | 0 | 0 | 115.6 | |||||
| 1690 | Q | 31.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | -166.8 | 162.1 | 55.9 | -146.3 | 154.5 | -64.2 | 0 | 0 | 113.9 | |||||
| 1691 | Q | 29.7 | Very low | 29.2 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | trans | 56.2 | 109.5 | 150.7 | -82.8 | 157.3 | -26.7 | 0 | 0 | 119.5 | ||||
| 1692 | Q | 28.9 | Very low | 29.2 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | 90.4 | 138.7 | 96.5 | -82.5 | 179.1 | -25.6 | 0 | 0 | 112.7 | |||||
| 1693 | Q | 31.9 | Very low | 29.3 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | cis | -158.9 | 142.2 | 4.9 | -140.6 | 156.3 | -6.8 | 0 | 0 | 111.2 | ||||
| 1694 | H | 28.6 | Very low | 29.4 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | 65.9 | 150.5 | 153.6 | -86.5 | -137.4 | 0 | 0 | 0 | 118.6 | ||||
| 1695 | L | 28.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | cis | -166.9 | 124.6 | -9.4 | 175.7 | 68.7 | 0 | 0 | 0 | 110.5 | ||||
| 1696 | M | 28.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | trans | 56.7 | 167.8 | 162.6 | -60.8 | -47.6 | -166.9 | 0 | 0 | 117.5 | ||||
| 1697 | D | 31.4 | Very low | 30 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | cis | -143.7 | 130.4 | -17.9 | -116.5 | -22.8 | 0 | 0 | 0 | 106.9 | ||||
| 1698 | F | 28.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 68% | 0.675 | 67% | 0.673 | S | S | * | * | 65 | 130.8 | 97.5 | -90 | -120.2 | 0 | 0 | 0 | 117.8 | |||||
| 1699 | R | 29.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | trans | 74.4 | 155.6 | 146.6 | -70.3 | -178.3 | 166.8 | 144.6 | -3.6 | 117.9 | ||||
| 1700 | N | 29.4 | Very low | 30.5 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | cis | -142.6 | 125.4 | 1.2 | -126.6 | 13.4 | 0 | 0 | 0 | 109 | ||||
| 1701 | T | 30.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 62% | 0.62 | 69% | 0.687 | S | S | * | * | 70 | 119.8 | 101.9 | 63.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 1702 | V | 30.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | 104.8 | 139.9 | 100.4 | 151.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1703 | N | 29.4 | Very low | 30.3 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | cis | -146.6 | 150.5 | -17.9 | -105.8 | -6.9 | 0 | 0 | 0 | 106.6 | ||||
| 1704 | N | 28.9 | Very low | 30.3 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | 72.1 | 153.7 | 59.4 | -157 | 16.6 | 0 | 0 | 0 | 113.1 | |||||
| 1705 | E | 29.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | 74.9 | 136.8 | -175.8 | -50.1 | -171.3 | 161.8 | 0 | 0 | 115 | ||||
| 1706 | H | 34 | Very low | 30.8 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 63% | 0.634 | 71% | 0.712 | S | S | * | * | cis | -148.1 | 146.9 | -7.7 | -102.4 | -1.8 | 0 | 0 | 0 | 107.6 | ||||
| 1707 | I | 34.6 | Very low | 31 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | 63.2 | 131 | 65.6 | -67.6 | 179.5 | 0 | 0 | 0 | 112 | |||||
| 1708 | P | 34.7 | Very low | 31.1 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -140 | 173 | -8.8 | 39 | -19.9 | 0 | 0 | 0 | 118.1 | ||||
| 1709 | R | 29.5 | Very low | 31.3 | Very low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | trans | -5.8 | 140 | 141.2 | -51.9 | 165.4 | 175.2 | 166.4 | -4.4 | 118.8 | ||||
| 1710 | R | 31.5 | Very low | 31.2 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | -155.1 | 132.6 | 113.9 | -96.6 | 170.7 | -176.2 | -162.1 | -0 | 107.2 | |||||
| 1711 | S | 27.3 | Very low | 31 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | cis | 99.3 | 138.5 | 31.2 | -68 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1712 | S | 29.5 | Very low | 31 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 74.2 | 155.2 | 164.7 | 85.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1713 | M | 30 | Very low | 30.8 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 86% | 0.862 | 73% | 0.733 | S | S | * | * | cis | -164.3 | 177.6 | -17.9 | -116.9 | -175.7 | -79.6 | 0 | 0 | 110.1 | ||||
| 1714 | A | 30.7 | Very low | 31 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | 70.1 | 104.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1715 | L | 28.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | 66.4 | 146 | 118.3 | -65.7 | 162.5 | 0 | 0 | 0 | 121.7 | |||||
| 1716 | P | 40.4 | Very low | 31 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -88.8 | 177 | 176.8 | 41.1 | -38.4 | 0 | 0 | 0 | 112.1 | ||||
| 1717 | P | 31.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | -148.5 | 155.9 | 96.4 | 40.3 | -25 | 0 | 0 | 0 | 116.2 | |||||
| 1718 | T | 34.9 | Very low | 30.6 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -80.6 | 151.9 | 145.7 | 41.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1719 | P | 32.7 | Very low | 30.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | -157.9 | -163 | 59.6 | 39.2 | -14 | 0 | 0 | 0 | 116.9 | |||||
| 1720 | S | 27.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | 68.6 | 99.8 | 141 | 64.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1721 | S | 26.2 | Very low | 30.1 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 93.3 | 156.5 | 107.4 | 80 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1722 | I | 28.5 | Very low | 30.4 | Very low | 142 Ų | 142 | 135 Ų | 135 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | 77 | 104.3 | 151.5 | -73.5 | 163.8 | 0 | 0 | 0 | 118.1 | ||||
| 1723 | L | 27.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | 44.3 | 117.5 | 137.2 | -69.4 | 150 | 0 | 0 | 0 | 119.5 | ||||
| 1724 | N | 33.3 | Very low | 30.6 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | -172.6 | 155.8 | 90.3 | -96.3 | -56.6 | 0 | 0 | 0 | 113.8 | |||||
| 1725 | L | 27.2 | Very low | 30.7 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -84.6 | 137.6 | 172.7 | -70 | 74.2 | 0 | 0 | 0 | 111 | ||||
| 1726 | K | 30.7 | Very low | 31 | Very low | 211 Ų | 211 | 135.5 Ų | 135.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -155.9 | 141.7 | 142.2 | -137.8 | 72.2 | 178.4 | -177.9 | 0 | 111.4 | ||||
| 1727 | A | 28.7 | Very low | 30.7 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 56% | 0.562 | 76% | 0.761 | S | S | * | * | trans | -90.5 | 163.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I1729 | A1727-I1729 PolarHBondContact O-N 2.74Š| ||
| 1728 | P | 31.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -75.9 | 62.8 | 165 | 34.9 | -36.2 | 0 | 0 | 0 | 111.3 | ||||
| 1729 | I | 26.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -90.6 | 114.6 | 152.1 | -63.5 | 178.4 | 0 | 0 | 0 | 105.7 | A1727 | A1727-I1729 PolarHBondContact O-N 2.74Š| ||
| 1730 | R | 32.6 | Very low | 30.8 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -123.4 | 74.4 | 173.4 | -119.9 | -171.8 | -178.2 | -161.3 | -0.7 | 110.3 | ||||
| 1731 | S | 26.4 | Very low | 31.1 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -78.1 | 137 | 150.7 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1732 | I | 32.6 | Very low | 31.2 | Very low | 169 Ų | 169 | 146 Ų | 146 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | 163.7 | 127.3 | 172.3 | -88.7 | 147 | 0 | 0 | 0 | 103.4 | ||||
| 1733 | G | 31.6 | Very low | 31.3 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | cis | -139.2 | -166.6 | -19.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1734 | E | 33.2 | Very low | 31.5 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | -153.1 | -174.1 | -0.9 | -108.1 | 167.1 | 126.6 | 0 | 0 | 106.6 | ||||
| 1735 | M | 32.1 | Very low | 31.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 14.7 | 136.5 | 154.9 | -81.1 | 66.9 | 156.4 | 0 | 0 | 120.3 | ||||
| 1736 | D | 34.8 | Very low | 31.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -145.7 | 176.6 | 26.1 | -88.4 | -46.4 | 0 | 0 | 0 | 113.6 | ||||
| 1737 | D | 33.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -57.1 | 160.7 | 171.1 | -68.2 | -63.9 | 0 | 0 | 0 | 114.1 | ||||
| 1738 | W | 35.8 | Very low | 31.9 | Very low | 236 Ų | 236 | 144.6 Ų | 144.6 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | 177 | 120.5 | 118.3 | -91.5 | 106.3 | 0 | 0 | 0 | 111.8 | |||||
| 1739 | N | 35 | Very low | 31.9 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -27.2 | 139 | -180 | -60.6 | -72.6 | 0 | 0 | 0 | 121.1 | ||||
| 1740 | L | 30.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | 1 | 145.3 | 128.7 | -75.2 | 167.3 | 0 | 0 | 0 | 117.6 | |||||
| 1741 | P | 33 | Very low | 32.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -147.9 | -173.8 | 54.6 | 42.8 | -23.4 | 0 | 0 | 0 | 118.2 | |||||
| 1742 | S | 29 | Very low | 32.5 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 146.9 | 178.7 | 52.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1743 | C | 31.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 177.8 | 124.6 | 128.4 | -93.6 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 1744 | S | 29.9 | Very low | 32.6 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | 78.8 | 133.4 | 48.5 | 85.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1745 | D | 34.4 | Very low | 32.5 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 140.6 | 155.8 | -43.9 | -48.6 | 0 | 0 | 0 | 121.1 | ||||
| 1746 | D | 34.3 | Very low | 32.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 72.3 | 83.3 | 157.4 | -60.9 | -29.4 | 0 | 0 | 0 | 124.3 | ||||
| 1747 | S | 30.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 52.9 | 115.8 | 104 | -50.6 | 0 | 0 | 0 | 0 | 122 | |||||
| 1748 | E | 30.6 | Very low | 32.2 | Very low | 236 Ų | 236 | 143.7 Ų | 143.7 | 100% | 1.103 | 79% | 0.791 | S | S | * | * | -143.9 | 0 | 128.3 | -161.4 | 167.9 | -129.5 | 0 | 0 | 110.1 |
Retrieved 1,748 of 1,748 residues in 1065.2 ms
(Link to these results)