| 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 | 55.3 | Low | 57.3 | Low | 219 Ų | 219 | 121.4 Ų | 121.4 | 100% | 1.079 | 62% | 0.619 | S | S | * | * | 0 | -47 | 0 | -68.9 | -169.1 | -109 | 0 | 0 | 112.6 | L3 K4 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.9Å; M1-L3 VanDerWaalsContact O-N 3.16Å; M1-K4 PolarHBondContact O-N 2.89Å; M1-K4 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 52.2 | Low | 58.5 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -48.5 | -41.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K4 V5 L6 | A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.69Å; A2-V5 WeakPolarHBondContact O-CB 3.37Å; A2-V5 PolarHBondContact O-N 3.38Å; A2-L6 PolarHBondContact O-N 3.28Å |
| 3 | L | 51.5 | Low | 59.5 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 78% | 0.78 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.1 | -33.4 | -178.1 | -158.8 | 81.2 | 0 | 0 | 0 | 113.8 | M1 V5 L7 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.9Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-V5 VanDerWaalsContact C-N 3.35Å; L3-L7 PolarHBondContact O-N 3.4Å |
| 4 | K | 52.8 | Low | 60.4 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 74% | 0.739 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.7 | -34.4 | 175.2 | -88.3 | -171.5 | 171.9 | -174.9 | 0 | 111.9 | M1 A2 L7 E8 | M1-K4 PolarHBondContact O-N 2.89Å; M1-K4 VanDerWaalsContact O-N 3.15Å; A2-K4 VanDerWaalsContact C-N 3.3Å; A2-K4 PolarHBondContact O-N 2.69Å; K4-L7 PolarHBondContact O-N 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.27Å; K4-E8 PolarHBondContact O-N 3.37Å |
| 5 | V | 55.1 | Low | 61.7 | Low | 100 Ų | 100 | 118.1 Ų | 118.1 | 61% | 0.606 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.3 | -42.4 | -179.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | A2 L3 E8 Q9 | A2-V5 WeakPolarHBondContact O-CB 3.37Å; A2-V5 PolarHBondContact O-N 3.38Å; L3-V5 VanDerWaalsContact C-N 3.35Å; V5-E8 PolarHBondContact O-N 3.18Å; V5-Q9 WeakPolarHBondContact O-CB 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å |
| 6 | L | 54.5 | Low | 62.6 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.2 | -44.1 | 173.6 | -88.5 | 162.3 | 0 | 0 | 0 | 112.5 | A2 E8 Q9 E10 | A2-L6 PolarHBondContact O-N 3.28Å; L6-E8 PolarHBondContact O-N 2.85Å; L6-Q9 WeakPolarHBondContact O-CB 3.02Å; L6-Q9 PolarHBondContact O-N 3.42Å; L6-E10 WeakPolarHBondContact O-CB 3.48Å; L6-E10 PolarHBondContact O-N 3.43Å |
| 7 | L | 57 | Low | 63.3 | Low | 89 Ų | 89 | 115.1 Ų | 115.1 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.3 | -37.7 | 179.7 | -159.7 | 91 | 0 | 0 | 0 | 112.7 | L3 K4 K11 | L3-L7 PolarHBondContact O-N 3.4Å; K4-L7 PolarHBondContact O-N 3.29Å; L7-K11 VanDerWaalsContact O-CG 3.29Å; L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.34Å |
| 8 | E | 59.9 | Low | 64.1 | Low | 97 Ų | 97 | 114.3 Ų | 114.3 | 45% | 0.453 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.8 | -32.2 | 174.4 | -66 | -54.4 | 130.4 | 0 | 0 | 112.2 | K4 V5 L6 K11 T12 | K4-E8 WeakPolarHBondContact O-CG 3.27Å; K4-E8 PolarHBondContact O-N 3.37Å; V5-E8 PolarHBondContact O-N 3.18Å; L6-E8 PolarHBondContact O-N 2.85Å; E8-K11 IonicContact OE1-NZ 2.68Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; E8-K11 IonicContact OE2-NZ 2.77Å; E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3.22Å |
| 9 | Q | 57.4 | Low | 64.6 | Low | 120 Ų | 120 | 113 Ų | 113 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -42.8 | 171.3 | -172 | -173.6 | -0.3 | 0 | 0 | 111.5 | V5 L6 T12 F13 | V5-Q9 WeakPolarHBondContact O-CB 3.46Å; V5-Q9 PolarHBondContact O-N 3.16Å; L6-Q9 WeakPolarHBondContact O-CB 3.02Å; L6-Q9 PolarHBondContact O-N 3.42Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.5Å; Q9-T12 PolarHBondContact O-N 3.22Å; Q9-T12 PolarHBondContact O-OG1 2.79Å; Q9-T12 VanDerWaalsContact O-OG1 3.09Å; Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.11Å |
| 10 | E | 64.1 | Low | 64.9 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.6 | -46.3 | 176.2 | -174.5 | -179.3 | 177.4 | 0 | 0 | 111.2 | L6 F13 F14 | L6-E10 WeakPolarHBondContact O-CB 3.48Å; L6-E10 PolarHBondContact O-N 3.43Å; E10-F13 PolarHBondContact O-N 3.48Å; E10-F14 HydrophobicContact CG-CD2 4.12Å; E10-F14 HydrophobicContact CG-CE2 4.33Å; E10-F14 PolarHBondContact O-N 2.95Å |
| 11 | K | 70.2 | Confident | 65.2 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.3 | -46.2 | 174.3 | -72 | 171.1 | -170.7 | 174.1 | 0 | 112.8 | L7 E8 F13 F14 I15 | L7-K11 VanDerWaalsContact O-CG 3.29Å; L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.34Å; E8-K11 IonicContact OE1-NZ 2.68Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; E8-K11 IonicContact OE2-NZ 2.77Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 2.75Å; K11-F14 PolarHBondContact O-N 3.14Å; K11-I15 WeakPolarHBondContact O-CB 3.47Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 VanDerWaalsContact O-CG1 3.23Å; K11-I15 WeakPolarHBondContact O-CG1 3.31Å; K11-I15 PolarHBondContact O-N 2.83Å |
| 12 | T | 72.6 | Confident | 65.8 | Low | 84 Ų | 84 | 105.2 Ų | 105.2 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -35 | 178.7 | 39.8 | 0 | 0 | 0 | 0 | 111.7 | E8 Q9 I15 L16 | E8-T12 PolarHBondContact O-N 2.91Å; E8-T12 PolarHBondContact O-OG1 3.22Å; Q9-T12 WeakPolarHBondContact CA-OG1 3.5Å; Q9-T12 PolarHBondContact O-N 3.22Å; Q9-T12 PolarHBondContact O-OG1 2.79Å; Q9-T12 VanDerWaalsContact O-OG1 3.09Å; T12-I15 PolarHBondContact O-N 2.76Å; T12-L16 VanDerWaalsContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CB 3.07Å; T12-L16 PolarHBondContact O-N 2.8Å |
| 13 | F | 71.4 | Confident | 66.3 | Low | 125 Ų | 125 | 106.4 Ų | 106.4 | 55% | 0.548 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 172.4 | -168.8 | -106.7 | 0 | 0 | 0 | 112.3 | Q9 E10 K11 L16 L17 | Q9-F13 WeakPolarHBondContact O-CB 3.43Å; Q9-F13 PolarHBondContact O-N 3.11Å; E10-F13 PolarHBondContact O-N 3.48Å; K11-F13 VanDerWaalsContact C-N 3.31Å; K11-F13 PolarHBondContact O-N 2.75Å; F13-L16 PolarHBondContact O-N 2.72Å; F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CD1-CG 4.35Å; F13-L17 HydrophobicContact CE1-CD1 3.51Å; F13-L17 HydrophobicContact CE1-CG 4.14Å; F13-L17 HydrophobicContact CZ-CD1 4.19Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CB 3.05Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.48Å |
| 14 | F | 72.1 | Confident | 66.6 | Low | 126 Ų | 126 | 102.4 Ų | 102.4 | 55% | 0.553 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 173 | -99.5 | -81.3 | 0 | 0 | 0 | 112.6 | E10 K11 L16 L17 V18 | E10-F14 HydrophobicContact CG-CD2 4.12Å; E10-F14 HydrophobicContact CG-CE2 4.33Å; E10-F14 PolarHBondContact O-N 2.95Å; K11-F14 PolarHBondContact O-N 3.14Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 2.83Å; F14-L17 PolarHBondContact O-N 2.78Å; F14-V18 WeakPolarHBondContact O-CB 3.18Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 2.91Å |
| 15 | I | 79.1 | Confident | 66.8 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.7 | -71.5 | 164.2 | 0 | 0 | 0 | 110.4 | K11 T12 V18 L19 | K11-I15 WeakPolarHBondContact O-CB 3.47Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 VanDerWaalsContact O-CG1 3.23Å; K11-I15 WeakPolarHBondContact O-CG1 3.31Å; K11-I15 PolarHBondContact O-N 2.83Å; T12-I15 PolarHBondContact O-N 2.76Å; I15-V18 PolarHBondContact O-N 2.04Å; I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 2.03Å |
| 16 | L | 75.8 | Confident | 66.8 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.8 | -167.7 | 75.8 | 0 | 0 | 0 | 111.6 | T12 F13 F14 L19 L20 | T12-L16 VanDerWaalsContact O-CB 3.24Å; T12-L16 WeakPolarHBondContact O-CB 3.07Å; T12-L16 PolarHBondContact O-N 2.8Å; F13-L16 PolarHBondContact O-N 2.72Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CD1 3.24Å; L16-L20 WeakPolarHBondContact O-CD1 3.31Å; L16-L20 PolarHBondContact O-N 3.03Å |
| 17 | L | 75.2 | Confident | 66.5 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.8 | -76.2 | 176.1 | 0 | 0 | 0 | 112.6 | F13 F14 G21 | F13-L17 HydrophobicContact CD1-CD1 3.8Å; F13-L17 HydrophobicContact CD1-CG 4.35Å; F13-L17 HydrophobicContact CE1-CD1 3.51Å; F13-L17 HydrophobicContact CE1-CG 4.14Å; F13-L17 HydrophobicContact CZ-CD1 4.19Å; F13-L17 HydrophobicContact CZ-CG 4.41Å; F13-L17 WeakPolarHBondContact O-CB 3.05Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 3.48Å; F14-L17 PolarHBondContact O-N 2.78Å; L17-G21 PolarHBondContact O-N 2.98Å |
| 18 | V | 77.5 | Confident | 65.9 | Low | 101 Ų | 101 | 101.5 Ų | 101.5 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.2 | -37.9 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | F14 I15 G21 Y22 | F14-V18 WeakPolarHBondContact O-CB 3.18Å; F14-V18 VanDerWaalsContact O-CG2 3.31Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 2.91Å; I15-V18 PolarHBondContact O-N 2.04Å; V18-G21 PolarHBondContact O-N 2.86Å; V18-Y22 VanDerWaalsContact O-CB 3.25Å; V18-Y22 WeakPolarHBondContact O-CB 3.07Å; V18-Y22 PolarHBondContact O-N 2.84Å |
| 19 | L | 73.8 | Confident | 65.3 | Low | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 173 | -88.2 | 158.3 | 0 | 0 | 0 | 112.3 | I15 L16 G21 Y22 L23 | I15-L19 HydrophobicContact CG2-CD1 3.88Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 2.03Å; L16-L19 PolarHBondContact O-N 3.25Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-Y22 PolarHBondContact O-N 2.71Å; L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 2.93Å; L19-L23 WeakPolarHBondContact O-CD1 3.26Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 2.96Å; L19-L23 PolarHBondContact O-N 2.88Å |
| 20 | L | 70.3 | Confident | 65 | Low | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 173.3 | -98 | 93.8 | 0 | 0 | 0 | 111.3 | L16 S24 | L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CG-CD1 3.84Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CD1 3.24Å; L16-L20 WeakPolarHBondContact O-CD1 3.31Å; L16-L20 PolarHBondContact O-N 3.03Å; L20-S24 WeakPolarHBondContact O-CB 3.23Å; L20-S24 PolarHBondContact O-N 3.1Å; L20-S24 PolarHBondContact O-OG 3.34Å |
| 21 | G | 71.4 | Confident | 64.6 | Low | 33 Ų | 33 | 102.1 Ų | 102.1 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 V18 L19 S24 C25 | L17-G21 PolarHBondContact O-N 2.98Å; V18-G21 PolarHBondContact O-N 2.86Å; L19-G21 VanDerWaalsContact C-N 3.33Å; G21-S24 PolarHBondContact O-N 3.16Å; G21-C25 WeakPolarHBondContact O-CB 3.26Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.82Å |
| 22 | Y | 68.6 | Low | 64.3 | Low | 153 Ų | 153 | 99.8 Ų | 99.8 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 176.8 | -178.4 | -100.5 | 0 | 0 | 0 | 112.9 | V18 L19 S24 C25 K26 | V18-Y22 VanDerWaalsContact O-CB 3.25Å; V18-Y22 WeakPolarHBondContact O-CB 3.07Å; V18-Y22 PolarHBondContact O-N 2.84Å; L19-Y22 PolarHBondContact O-N 2.71Å; Y22-S24 VanDerWaalsContact C-N 3.35Å; Y22-C25 PolarHBondContact O-N 2.71Å; Y22-K26 WeakPolarHBondContact O-CB 3.36Å; Y22-K26 PolarHBondContact O-N 3.04Å |
| 23 | L | 61.3 | Low | 64.8 | Low | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -40.6 | 172.7 | -78.3 | 161.1 | 0 | 0 | 0 | 111.1 | L19 K26 V27 | L19-L23 VanDerWaalsContact O-CB 3.27Å; L19-L23 WeakPolarHBondContact O-CB 2.93Å; L19-L23 WeakPolarHBondContact O-CD1 3.26Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 2.96Å; L19-L23 PolarHBondContact O-N 2.88Å; L23-K26 PolarHBondContact O-N 2.95Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 3.17Å |
| 24 | S | 58.7 | Low | 65.7 | Low | 65 Ų | 65 | 97.1 Ų | 97.1 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 111 | L20 G21 Y22 K26 V27 T28 | L20-S24 WeakPolarHBondContact O-CB 3.23Å; L20-S24 PolarHBondContact O-N 3.1Å; L20-S24 PolarHBondContact O-OG 3.34Å; G21-S24 PolarHBondContact O-N 3.16Å; Y22-S24 VanDerWaalsContact C-N 3.35Å; S24-K26 PolarHBondContact O-N 2.76Å; S24-V27 PolarHBondContact O-N 3.32Å; S24-V27 VanDerWaalsContact O-N 3.15Å; S24-T28 PolarHBondContact O-N 2.83Å; S24-T28 PolarHBondContact O-OG1 3.41Å; S24-T28 VanDerWaalsContact O-OG1 3.04Å |
| 25 | C | 56.4 | Low | 66.5 | Low | 87 Ų | 87 | 99.7 Ų | 99.7 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -25.1 | 173.1 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | G21 Y22 T28 C29 | G21-C25 WeakPolarHBondContact O-CB 3.26Å; G21-C25 PolarHBondContact O-N 3.2Å; G21-C25 PolarHBondContact O-SG 2.82Å; Y22-C25 PolarHBondContact O-N 2.71Å; C25-T28 WeakPolarHBondContact CA-OG1 3.24Å; C25-T28 CarbonylContact O-C 3.41Å; C25-T28 VanDerWaalsContact O-O 3.12Å; C25-C29 PolarHBondContact O-N 2.04Å |
| 26 | K | 55.2 | Low | 67.1 | Low | 135 Ų | 135 | 101.1 Ų | 101.1 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -86.8 | -22.6 | 175.9 | -164.6 | 169.4 | -175.6 | 171.8 | 0 | 113.3 | Y22 L23 S24 C29 | Y22-K26 WeakPolarHBondContact O-CB 3.36Å; Y22-K26 PolarHBondContact O-N 3.04Å; L23-K26 PolarHBondContact O-N 2.95Å; S24-K26 PolarHBondContact O-N 2.76Å; K26-C29 PolarHBondContact O-SG 2.93Å; K26-C29 VanDerWaalsContact O-SG 3.39Å |
| 27 | V | 49.3 | Very low | 67.8 | Low | 128 Ų | 128 | 101.7 Ų | 101.7 | 78% | 0.776 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -83.5 | -38.4 | 169.6 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | L23 S24 C29 | L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 3.17Å; S24-V27 PolarHBondContact O-N 3.32Å; S24-V27 VanDerWaalsContact O-N 3.15Å; V27-C29 PolarHBondContact O-N 2.87Å |
| 28 | T | 44.3 | Very low | 68.7 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -84.7 | 48.6 | 161.6 | 72.8 | 0 | 0 | 0 | 0 | 110.4 | S24 C25 E30 | S24-T28 PolarHBondContact O-N 2.83Å; S24-T28 PolarHBondContact O-OG1 3.41Å; S24-T28 VanDerWaalsContact O-OG1 3.04Å; C25-T28 WeakPolarHBondContact CA-OG1 3.24Å; C25-T28 CarbonylContact O-C 3.41Å; C25-T28 VanDerWaalsContact O-O 3.12Å; T28-E30 PolarHBondContact O-N 3.33Å; T28-E30 VanDerWaalsContact O-N 3.13Å |
| 29 | C | 46.6 | Very low | 69.4 | Low | 80 Ų | 80 | 95.7 Ų | 95.7 | 54% | 0.541 | 51% | 0.51 | S | S | . | . | trans | -53.1 | 124.1 | 149.8 | -84 | 0 | 0 | 0 | 0 | 106.2 | C25 K26 V27 T31 | C25-C29 PolarHBondContact O-N 2.04Å; K26-C29 PolarHBondContact O-SG 2.93Å; K26-C29 VanDerWaalsContact O-SG 3.39Å; V27-C29 PolarHBondContact O-N 2.87Å; C29-T31 PolarHBondContact O-N 2.85Å | ||
| 30 | E | 51 | Low | 70.3 | Confident | 190 Ų | 190 | 95.2 Ų | 95.2 | 89% | 0.888 | 50% | 0.502 | S | S | * | . | trans | -55.5 | 89.7 | 159.2 | -69.4 | 176.1 | 116.2 | 0 | 0 | 107.4 | T28 G32 | T28-E30 PolarHBondContact O-N 3.33Å; T28-E30 VanDerWaalsContact O-N 3.13Å; E30-G32 PolarHBondContact O-N 3.41Å | ||
| 31 | T | 56.2 | Low | 71.3 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | trans | -77 | 72.8 | 145.7 | 40.8 | 0 | 0 | 0 | 0 | 105.3 | C29 R40 | C29-T31 PolarHBondContact O-N 2.85Å; T31-R40 PolarHBondContact O-NH2 3.31Å; T31-R40 PolarHBondContact OG1-NH1 2.85Å | ||
| 32 | G | 63.8 | Low | 72.2 | Confident | 46 Ų | 46 | 101.2 Ų | 101.2 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -48.9 | 146.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E30 C34 | E30-G32 PolarHBondContact O-N 3.41Å; G32-C34 PolarHBondContact O-N 2.98Å; G32-C34 VanDerWaalsContact O-N 3.11Å |
| 33 | D | 82.7 | Confident | 73.2 | Confident | 150 Ų | 150 | 98.5 Ų | 98.5 | 80% | 0.802 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 124.3 | -171.5 | -79.7 | -38 | 0 | 0 | 0 | 110.7 | ||
| 34 | C | 89.7 | Confident | 74.4 | Confident | 3 Ų | 3 | 94.9 Ų | 94.9 | 2% | 0.02 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 147.6 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 108.7 | G32 E38 C46 F64 | G32-C34 PolarHBondContact O-N 2.98Å; G32-C34 VanDerWaalsContact O-N 3.11Å; C34-E38 HydrophobicContact CB-CB 3.92Å; C34-C46 WeakPolarHBondContact CA-SG 3.44Å; C34-C46 HydrophobicContact CB-CB 3.67Å; C34-C46 WeakPolarHBondContact CB-SG 3.32Å; C34-C46 VanDerWaalsContact SG-CA 3.56Å; C34-C46 WeakPolarHBondContact SG-CB 3.44Å; C34-C46 CovalentContact SG-SG 2.04Å; C34-C46 PolarHBondContact SG-SG 2.82Å; C34-F64 WeakPolarHBondContact O-CA 3.01Å |
| 35 | R | 90.1 | Very high | 76 | Confident | 180 Ų | 180 | 96.2 Ų | 96.2 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 168.4 | -174.6 | -60.1 | 178.9 | 179.9 | 163.6 | -4.9 | 111.5 | Q37 E38 F64 | R35-Q37 PolarHBondContact O-N 2.87Å; R35-E38 HydrophobicContact CB-CB 4.45Å; R35-E38 HydrophobicContact CB-CG 4.16Å; R35-E38 WeakPolarHBondContact CB-OE2 3.34Å; R35-E38 WeakPolarHBondContact CD-OE1 3.12Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.86Å; R35-E38 IonicContact NH1-OE1 3.65Å; R35-E38 PolarHBondContact O-N 3.43Å; R35-F64 PolarHBondContact O-N 3.06Å |
| 36 | Q | 90.8 | Very high | 77.7 | Confident | 132 Ų | 132 | 94.6 Ų | 94.6 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.7 | 179.8 | 180 | 166.3 | 15.3 | 0 | 0 | 114.6 | G63 F64 | Q36-G63 WeakPolarHBondContact O-CA 3.23Å; Q36-F64 HydrophobicContact CB-CE1 3.83Å; Q36-F64 HydrophobicContact CB-CE2 3.96Å; Q36-F64 HydrophobicContact CB-CZ 3.51Å; Q36-F64 HydrophobicContact CG-CE1 4.37Å; Q36-F64 HydrophobicContact CG-CE2 3.62Å; Q36-F64 HydrophobicContact CG-CZ 3.54Å |
| 37 | Q | 91.6 | Very high | 79.5 | Confident | 108 Ų | 108 | 90.4 Ų | 90.4 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 25 | 178.5 | -62.2 | 175.4 | 12.4 | 0 | 0 | 112.1 | R35 C49 F86 | R35-Q37 PolarHBondContact O-N 2.87Å; Q37-C49 WeakPolarHBondContact O-CB 3.34Å; Q37-C49 PolarHBondContact O-N 3.33Å; Q37-C49 PolarHBondContact O-SG 2.99Å; Q37-C49 VanDerWaalsContact O-SG 3.39Å; Q37-F86 HydrophobicContact CB-CZ 4.44Å; Q37-F86 HydrophobicContact CG-CE2 4.39Å; Q37-F86 VanDerWaalsContact OE1-CE2 3.25Å |
| 38 | E | 93.1 | Very high | 81.6 | Confident | 42 Ų | 42 | 88.7 Ų | 88.7 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.1 | 178.2 | -68 | 163.5 | -173.3 | 0 | 0 | 110.4 | C34 R35 C46 V47 G63 F64 G65 | C34-E38 HydrophobicContact CB-CB 3.92Å; R35-E38 HydrophobicContact CB-CB 4.45Å; R35-E38 HydrophobicContact CB-CG 4.16Å; R35-E38 WeakPolarHBondContact CB-OE2 3.34Å; R35-E38 WeakPolarHBondContact CD-OE1 3.12Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.86Å; R35-E38 IonicContact NH1-OE1 3.65Å; R35-E38 PolarHBondContact O-N 3.43Å; E38-C46 HydrophobicContact CB-CB 4.25Å; E38-V47 CarbonylContact C-O 3.48Å; E38-V47 WeakPolarHBondContact CA-O 3.26Å; E38-G63 CarbonylContact O-C 3.55Å; E38-G63 VanDerWaalsContact O-C 3.27Å; E38-G63 WeakPolarHBondContact O-CA 3.3Å; E38-F64 PolarHBondContact O-N 3.21Å; E38-F64 VanDerWaalsContact O-N 3.12Å; E38-G65 PolarHBondContact O-N 3.27Å |
| 39 | F | 92.7 | Very high | 83.9 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 10% | 0.096 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 167.3 | 168.5 | 69 | -92.8 | 0 | 0 | 0 | 110.3 | D41 C46 V47 P48 Y66 E68 | F39-D41 HydrophobicContact CE2-CB 4.41Å; F39-C46 CarbonylContact O-C 3.19Å; F39-C46 WeakPolarHBondContact O-CA 3.43Å; F39-V47 HydrophobicContact CD1-CB 4.43Å; F39-V47 WeakPolarHBondContact CD1-O 3.27Å; F39-V47 HydrophobicContact CD2-CB 4.38Å; F39-V47 HydrophobicContact CE1-CB 3.96Å; F39-V47 HydrophobicContact CE1-CG1 3.77Å; F39-V47 HydrophobicContact CE2-CB 3.88Å; F39-V47 HydrophobicContact CE2-CG1 4.19Å; F39-V47 HydrophobicContact CE2-CG2 4.46Å; F39-V47 HydrophobicContact CZ-CB 3.67Å; F39-V47 HydrophobicContact CZ-CG1 3.5Å; F39-V47 PolarHBondContact N-O 2.01Å; F39-V47 PolarHBondContact O-N 2.88Å; F39-P48 WeakPolarHBondContact CE1-O 3.45Å; F39-Y66 WeakPolarHBondContact CB-O 3.31Å; F39-E68 HydrophobicContact CD2-CB 3.82Å; F39-E68 HydrophobicContact CD2-CG 4.22Å; F39-E68 HydrophobicContact CE2-CB 4.04Å; F39-E68 HydrophobicContact CE2-CG 3.94Å |
| 40 | R | 92.3 | Very high | 86 | Confident | 80 Ų | 80 | 84.8 Ų | 84.8 | 30% | 0.302 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.1 | 176.3 | -172.3 | 178.7 | -69.8 | -124.6 | 1 | 110.1 | T31 N45 G65 | T31-R40 PolarHBondContact O-NH2 3.31Å; T31-R40 PolarHBondContact OG1-NH1 2.85Å; R40-N45 CarbonylContact C-O 3.59Å; R40-N45 WeakPolarHBondContact CA-O 3.37Å; R40-G65 WeakPolarHBondContact CB-O 3.07Å; R40-G65 PolarHBondContact N-O 3.5Å |
| 41 | D | 91.3 | Very high | 88.1 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 19% | 0.193 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 167.7 | 175 | 77.2 | 3 | 0 | 0 | 0 | 112 | F39 S43 G44 N45 V47 | F39-D41 HydrophobicContact CE2-CB 4.41Å; D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 VanDerWaalsContact OD1-C 3.26Å; D41-S43 VanDerWaalsContact OD1-CA 3.23Å; D41-S43 WeakPolarHBondContact OD1-CA 3.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.42Å; D41-S43 PolarHBondContact OD1-N 2.74Å; D41-S43 PolarHBondContact OD2-OG 2.03Å; D41-G44 PolarHBondContact O-N 2.76Å; D41-G44 PolarHBondContact OD1-N 3.25Å; D41-N45 PolarHBondContact N-O 2.84Å; D41-N45 PolarHBondContact OD1-N 3.49Å; D41-N45 PolarHBondContact OD2-ND2 2.78Å; D41-V47 HydrophobicContact CB-CG2 4Å |
| 42 | R | 89.7 | Confident | 89.9 | Confident | 218 Ų | 218 | 77.4 Ų | 77.4 | 82% | 0.823 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -20 | 170.8 | -80 | 147.7 | -163.4 | -113.4 | 1.9 | 115.3 | E68 | R42-E68 VanDerWaalsContact CD-OE1 3.27Å; R42-E68 WeakPolarHBondContact CD-OE1 3.04Å; R42-E68 WeakPolarHBondContact CG-OE1 3.3Å; R42-E68 IonicContact CZ-OE2 3.35Å; R42-E68 PolarHBondContact N-OE1 3.49Å; R42-E68 IonicContact NE-OE1 3.59Å; R42-E68 PolarHBondContact NE-OE1 3.4Å; R42-E68 IonicContact NE-OE2 3.95Å; R42-E68 PolarHBondContact NE-OE2 2.89Å; R42-E68 IonicContact NH2-OE2 2.6Å |
| 43 | S | 89.7 | Confident | 91.4 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 67% | 0.671 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.1 | 178.4 | -41.3 | 0 | 0 | 0 | 0 | 112.2 | D41 N45 | D41-S43 PolarHBondContact O-N 2.99Å; D41-S43 VanDerWaalsContact OD1-C 3.26Å; D41-S43 VanDerWaalsContact OD1-CA 3.23Å; D41-S43 WeakPolarHBondContact OD1-CA 3.04Å; D41-S43 WeakPolarHBondContact OD1-CB 3.42Å; D41-S43 PolarHBondContact OD1-N 2.74Å; D41-S43 PolarHBondContact OD2-OG 2.03Å; S43-N45 WeakPolarHBondContact CB-ND2 3.35Å |
| 44 | G | 87.4 | Confident | 92.1 | Very high | 24 Ų | 24 | 71 Ų | 71 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 90.3 | 4.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | D41 | D41-G44 PolarHBondContact O-N 2.76Å; D41-G44 PolarHBondContact OD1-N 3.25Å |
| 45 | N | 91.3 | Very high | 92.4 | Very high | 93 Ų | 93 | 71.1 Ų | 71.1 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -82.7 | 148.5 | 178.5 | -52.2 | -59.7 | 0 | 0 | 0 | 111.4 | R40 D41 S43 V47 | R40-N45 CarbonylContact C-O 3.59Å; R40-N45 WeakPolarHBondContact CA-O 3.37Å; D41-N45 PolarHBondContact N-O 2.84Å; D41-N45 PolarHBondContact OD1-N 3.49Å; D41-N45 PolarHBondContact OD2-ND2 2.78Å; S43-N45 WeakPolarHBondContact CB-ND2 3.35Å; N45-V47 HydrophobicContact CB-CG2 4.47Å | ||
| 46 | C | 92.5 | Very high | 92.7 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.5 | 168 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | C34 E38 F39 | C34-C46 WeakPolarHBondContact CA-SG 3.44Å; C34-C46 HydrophobicContact CB-CB 3.67Å; C34-C46 WeakPolarHBondContact CB-SG 3.32Å; C34-C46 VanDerWaalsContact SG-CA 3.56Å; C34-C46 WeakPolarHBondContact SG-CB 3.44Å; C34-C46 CovalentContact SG-SG 2.04Å; C34-C46 PolarHBondContact SG-SG 2.82Å; E38-C46 HydrophobicContact CB-CB 4.25Å; F39-C46 CarbonylContact O-C 3.19Å; F39-C46 WeakPolarHBondContact O-CA 3.43Å |
| 47 | V | 93.2 | Very high | 92.9 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.7 | -175.5 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | E38 F39 D41 N45 | E38-V47 CarbonylContact C-O 3.48Å; E38-V47 WeakPolarHBondContact CA-O 3.26Å; F39-V47 HydrophobicContact CD1-CB 4.43Å; F39-V47 WeakPolarHBondContact CD1-O 3.27Å; F39-V47 HydrophobicContact CD2-CB 4.38Å; F39-V47 HydrophobicContact CE1-CB 3.96Å; F39-V47 HydrophobicContact CE1-CG1 3.77Å; F39-V47 HydrophobicContact CE2-CB 3.88Å; F39-V47 HydrophobicContact CE2-CG1 4.19Å; F39-V47 HydrophobicContact CE2-CG2 4.46Å; F39-V47 HydrophobicContact CZ-CB 3.67Å; F39-V47 HydrophobicContact CZ-CG1 3.5Å; F39-V47 PolarHBondContact N-O 2.01Å; F39-V47 PolarHBondContact O-N 2.88Å; D41-V47 HydrophobicContact CB-CG2 4Å; N45-V47 HydrophobicContact CB-CG2 4.47Å |
| 48 | P | 93.3 | Very high | 93.1 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 60% | 0.597 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 141.2 | -179.3 | 26 | -35.8 | 0 | 0 | 0 | 112.1 | F39 | F39-P48 WeakPolarHBondContact CE1-O 3.45Å |
| 49 | C | 92.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 150.6 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | Q37 C62 F86 | Q37-C49 WeakPolarHBondContact O-CB 3.34Å; Q37-C49 PolarHBondContact O-N 3.33Å; Q37-C49 PolarHBondContact O-SG 2.99Å; Q37-C49 VanDerWaalsContact O-SG 3.39Å; C49-C62 VanDerWaalsContact CA-SG 3.52Å; C49-C62 HydrophobicContact CB-CB 3.8Å; C49-C62 WeakPolarHBondContact CB-SG 3.45Å; C49-C62 WeakPolarHBondContact SG-CB 3.04Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.05Å; C49-F86 HydrophobicContact CB-CD1 4.03Å; C49-F86 HydrophobicContact CB-CE1 3.7Å; C49-F86 WeakPolarHBondContact O-CE1 3.49Å |
| 50 | N | 91.6 | Very high | 93 | Very high | 87 Ų | 87 | 60.7 Ų | 60.7 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 139.3 | 172.8 | -69.2 | -42.9 | 0 | 0 | 0 | 110.9 | L58 A70 | N50-L58 HydrophobicContact CB-CD2 4.05Å; N50-A70 PolarHBondContact ND2-O 2.8Å |
| 51 | Q | 93.3 | Very high | 93 | Very high | 107 Ų | 107 | 62.7 Ų | 62.7 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 127.1 | 170.2 | -69.1 | -178.6 | 63.3 | 0 | 0 | 109.4 | F86 | Q51-F86 HydrophobicContact CG-CD1 3.78Å; Q51-F86 HydrophobicContact CG-CD2 4.14Å; Q51-F86 HydrophobicContact CG-CE1 3.33Å; Q51-F86 HydrophobicContact CG-CE2 3.72Å; Q51-F86 HydrophobicContact CG-CG 4.17Å; Q51-F86 HydrophobicContact CG-CZ 3.31Å |
| 52 | C | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -91.7 | 149.7 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | M56 C72 K81 W84 G85 | C52-M56 HydrophobicContact CB-CB 3.83Å; C52-M56 VanDerWaalsContact CB-O 3.27Å; C52-M56 WeakPolarHBondContact CB-O 3.26Å; C52-C72 WeakPolarHBondContact CA-SG 3.44Å; C52-C72 HydrophobicContact CB-CB 3.87Å; C52-C72 WeakPolarHBondContact CB-SG 3.33Å; C52-C72 WeakPolarHBondContact SG-CA 3.46Å; C52-C72 WeakPolarHBondContact SG-CB 3.27Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.87Å; C52-K81 PolarHBondContact O-NZ 2.9Å; C52-W84 WeakPolarHBondContact O-CA 3.34Å; C52-G85 PolarHBondContact N-O 2.74Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 3.22Å |
| 53 | G | 96 | Very high | 93.2 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | trans | -79.3 | -171.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | M56 K81 W84 | G53-M56 PolarHBondContact O-N 2.83Å; G53-K81 PolarHBondContact O-NZ 3.4Å; G53-W84 VanDerWaalsContact CA-CD2 3.47Å | ||
| 54 | P | 96.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 53 Ų | 53 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.4 | 172.8 | -20.3 | 32 | 0 | 0 | 0 | 110.6 | M56 K81 E82 T109 | P54-M56 PolarHBondContact O-N 2.04Å; P54-K81 CarbonylContact C-O 3.27Å; P54-K81 VanDerWaalsContact CA-O 3.24Å; P54-K81 WeakPolarHBondContact CA-O 3.19Å; P54-E82 WeakPolarHBondContact CB-O 3.45Å; P54-E82 VanDerWaalsContact CG-O 3.26Å; P54-E82 WeakPolarHBondContact CG-O 3.18Å; P54-T109 HydrophobicContact CB-CG2 3.99Å |
| 55 | G | 96 | Very high | 93.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | T74 C75 K81 A108 | G55-T74 CarbonylContact O-C 3.36Å; G55-T74 WeakPolarHBondContact O-CA 3.46Å; G55-C75 PolarHBondContact O-N 3.5Å; G55-C75 PolarHBondContact O-SG 3.35Å; G55-K81 PolarHBondContact N-O 2.89Å; G55-A108 WeakPolarHBondContact CA-O 3.09Å |
| 56 | M | 96.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135 | -176.4 | -60.4 | -74.3 | -175 | 0 | 0 | 112.1 | C52 G53 P54 C72 V73 T74 K81 | C52-M56 HydrophobicContact CB-CB 3.83Å; C52-M56 VanDerWaalsContact CB-O 3.27Å; C52-M56 WeakPolarHBondContact CB-O 3.26Å; G53-M56 PolarHBondContact O-N 2.83Å; P54-M56 PolarHBondContact O-N 2.04Å; M56-C72 HydrophobicContact CB-CB 4.32Å; M56-V73 CarbonylContact C-O 3.5Å; M56-V73 VanDerWaalsContact CA-O 3.26Å; M56-V73 WeakPolarHBondContact CA-O 3.06Å; M56-T74 HydrophobicContact CE-CG2 3.76Å; M56-T74 VanDerWaalsContact SD-CA 3.59Å; M56-T74 HydrophobicContact SD-CG2 3.76Å; M56-T74 PolarHBondContact SD-N 3.42Å; M56-T74 VanDerWaalsContact SD-N 3.43Å; M56-K81 WeakPolarHBondContact O-CD 3.2Å; M56-K81 PolarHBondContact O-NZ 2.78Å |
| 57 | E | 95.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 161 | 168.9 | 58 | -174.3 | 177.2 | 0 | 0 | 111.2 | C72 V73 R79 C89 | E57-C72 WeakPolarHBondContact O-CA 3.46Å; E57-V73 HydrophobicContact CG-CG2 4.47Å; E57-V73 PolarHBondContact N-O 2.93Å; E57-V73 WeakPolarHBondContact O-CG2 3.42Å; E57-V73 PolarHBondContact O-N 2.03Å; E57-R79 IonicContact OE2-NH1 2.61Å; E57-R79 PolarHBondContact OE2-NH1 2.89Å; E57-C89 VanDerWaalsContact CB-SG 3.54Å; E57-C89 HydrophobicContact CG-CB 4.45Å; E57-C89 VanDerWaalsContact CG-SG 3.58Å; E57-C89 WeakPolarHBondContact OE2-CB 3.35Å; E57-C89 PolarHBondContact OE2-N 3.03Å |
| 58 | L | 94.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.8 | 172.2 | -73.6 | 168.8 | 0 | 0 | 0 | 110.2 | N50 K60 C62 A70 Q71 | N50-L58 HydrophobicContact CB-CD2 4.05Å; L58-K60 VanDerWaalsContact CB-O 3.23Å; L58-K60 WeakPolarHBondContact CB-O 3.42Å; L58-K60 PolarHBondContact O-N 3.32Å; L58-K60 VanDerWaalsContact O-N 3.17Å; L58-C62 HydrophobicContact CD1-CB 3.86Å; L58-A70 HydrophobicContact CD2-CB 3.97Å; L58-Q71 CarbonylContact C-O 3.45Å |
| 59 | S | 93.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -60.9 | -23 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | Q71 | S59-Q71 WeakPolarHBondContact CB-O 3.07Å; S59-Q71 PolarHBondContact N-O 3.17Å; S59-Q71 PolarHBondContact OG-N 3.04Å; S59-Q71 PolarHBondContact OG-O 2.84Å |
| 60 | K | 91.4 | Very high | 93.1 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -142.8 | 156.6 | 177 | -60.4 | -176.4 | -171.5 | 175.7 | 0 | 109.5 | L58 D69 A70 | L58-K60 VanDerWaalsContact CB-O 3.23Å; L58-K60 WeakPolarHBondContact CB-O 3.42Å; L58-K60 PolarHBondContact O-N 3.32Å; L58-K60 VanDerWaalsContact O-N 3.17Å; K60-D69 WeakPolarHBondContact CD-OD1 3.44Å; K60-D69 WeakPolarHBondContact CE-OD1 3.45Å; K60-D69 IonicContact NZ-OD1 2.89Å; K60-D69 PolarHBondContact NZ-OD1 3.16Å; K60-D69 IonicContact NZ-OD2 3.51Å; K60-D69 PolarHBondContact NZ-OD2 3.45Å; K60-A70 HydrophobicContact CB-CB 4.41Å |
| 61 | E | 90.8 | Very high | 93.3 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | trans | -59.8 | 141.3 | 168.7 | -159.6 | 77.5 | -103 | 0 | 0 | 110 | K88 | E61-K88 WeakPolarHBondContact OE1-CE 3.44Å; E61-K88 IonicContact OE1-NZ 3.71Å; E61-K88 WeakPolarHBondContact OE2-CE 3.34Å; E61-K88 IonicContact OE2-NZ 3.82Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å | ||
| 62 | C | 92.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | trans | -126.8 | 131.5 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | C49 L58 Y66 A70 | C49-C62 VanDerWaalsContact CA-SG 3.52Å; C49-C62 HydrophobicContact CB-CB 3.8Å; C49-C62 WeakPolarHBondContact CB-SG 3.45Å; C49-C62 WeakPolarHBondContact SG-CB 3.04Å; C49-C62 CovalentContact SG-SG 2.03Å; C49-C62 PolarHBondContact SG-SG 3.05Å; L58-C62 HydrophobicContact CD1-CB 3.86Å; C62-Y66 CarbonylContact C-O 3.49Å; C62-Y66 WeakPolarHBondContact CA-O 3.48Å; C62-A70 HydrophobicContact CB-CB 4.42Å | ||
| 63 | G | 92.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | 147.4 | 161.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q36 E38 G65 Y66 | Q36-G63 WeakPolarHBondContact O-CA 3.23Å; E38-G63 CarbonylContact O-C 3.55Å; E38-G63 VanDerWaalsContact O-C 3.27Å; E38-G63 WeakPolarHBondContact O-CA 3.3Å; G63-G65 PolarHBondContact O-N 3.49Å; G63-G65 VanDerWaalsContact O-N 3.13Å; G63-Y66 PolarHBondContact N-O 2.81Å; G63-Y66 PolarHBondContact O-N 3.16Å |
| 64 | F | 92.4 | Very high | 93.4 | Very high | 122 Ų | 122 | 62.5 Ų | 62.5 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33 | 177.9 | -54.8 | -76.5 | 0 | 0 | 0 | 113.9 | C34 R35 Q36 E38 Y66 | C34-F64 WeakPolarHBondContact O-CA 3.01Å; R35-F64 PolarHBondContact O-N 3.06Å; Q36-F64 HydrophobicContact CB-CE1 3.83Å; Q36-F64 HydrophobicContact CB-CE2 3.96Å; Q36-F64 HydrophobicContact CB-CZ 3.51Å; Q36-F64 HydrophobicContact CG-CE1 4.37Å; Q36-F64 HydrophobicContact CG-CE2 3.62Å; Q36-F64 HydrophobicContact CG-CZ 3.54Å; E38-F64 PolarHBondContact O-N 3.21Å; E38-F64 VanDerWaalsContact O-N 3.12Å; F64-Y66 WeakPolarHBondContact O-CD2 3.06Å; F64-Y66 WeakPolarHBondContact O-CE2 3.35Å |
| 65 | G | 91.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 60.6 Ų | 60.6 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | 91 | -6.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E38 R40 G63 | E38-G65 PolarHBondContact O-N 3.27Å; R40-G65 WeakPolarHBondContact CB-O 3.07Å; R40-G65 PolarHBondContact N-O 3.5Å; G63-G65 PolarHBondContact O-N 3.49Å; G63-G65 VanDerWaalsContact O-N 3.13Å |
| 66 | Y | 90.7 | Very high | 93.3 | Very high | 180 Ų | 180 | 69.6 Ų | 69.6 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -100.3 | 149.2 | 177.9 | -57.8 | -87.1 | 0 | 0 | 0 | 111.4 | F39 C62 G63 F64 | F39-Y66 WeakPolarHBondContact CB-O 3.31Å; C62-Y66 CarbonylContact C-O 3.49Å; C62-Y66 WeakPolarHBondContact CA-O 3.48Å; G63-Y66 PolarHBondContact N-O 2.81Å; G63-Y66 PolarHBondContact O-N 3.16Å; F64-Y66 WeakPolarHBondContact O-CD2 3.06Å; F64-Y66 WeakPolarHBondContact O-CE2 3.35Å |
| 67 | G | 90.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | trans | 113.8 | 18 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | D69 A70 | G67-D69 VanDerWaalsContact C-N 3.25Å; G67-D69 PolarHBondContact O-N 2.83Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.41Å | ||
| 68 | E | 90.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 80.3 Ų | 80.3 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -41 | 179.3 | -175.1 | -171.6 | -135.3 | 0 | 0 | 113.6 | F39 R42 | F39-E68 HydrophobicContact CD2-CB 3.82Å; F39-E68 HydrophobicContact CD2-CG 4.22Å; F39-E68 HydrophobicContact CE2-CB 4.04Å; F39-E68 HydrophobicContact CE2-CG 3.94Å; R42-E68 VanDerWaalsContact CD-OE1 3.27Å; R42-E68 WeakPolarHBondContact CD-OE1 3.04Å; R42-E68 WeakPolarHBondContact CG-OE1 3.3Å; R42-E68 IonicContact CZ-OE2 3.35Å; R42-E68 PolarHBondContact N-OE1 3.49Å; R42-E68 IonicContact NE-OE1 3.59Å; R42-E68 PolarHBondContact NE-OE1 3.4Å; R42-E68 IonicContact NE-OE2 3.95Å; R42-E68 PolarHBondContact NE-OE2 2.89Å; R42-E68 IonicContact NH2-OE2 2.6Å |
| 69 | D | 90.4 | Very high | 93.2 | Very high | 86 Ų | 86 | 83.7 Ų | 83.7 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 19.6 | -178.5 | 71.7 | -25.9 | 0 | 0 | 0 | 113.6 | K60 G67 Q71 | K60-D69 WeakPolarHBondContact CD-OD1 3.44Å; K60-D69 WeakPolarHBondContact CE-OD1 3.45Å; K60-D69 IonicContact NZ-OD1 2.89Å; K60-D69 PolarHBondContact NZ-OD1 3.16Å; K60-D69 IonicContact NZ-OD2 3.51Å; K60-D69 PolarHBondContact NZ-OD2 3.45Å; G67-D69 VanDerWaalsContact C-N 3.25Å; G67-D69 PolarHBondContact O-N 2.83Å; D69-Q71 PolarHBondContact O-N 3.4Å |
| 70 | A | 92.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 81.6 Ų | 81.6 | 3% | 0.033 | 40% | 0.396 | C | S | . | . | trans | -73.1 | 119.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N50 L58 K60 C62 G67 | N50-A70 PolarHBondContact ND2-O 2.8Å; L58-A70 HydrophobicContact CD2-CB 3.97Å; K60-A70 HydrophobicContact CB-CB 4.41Å; C62-A70 HydrophobicContact CB-CB 4.42Å; G67-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 PolarHBondContact O-N 3.41Å | ||
| 71 | Q | 94.2 | Very high | 93.6 | Very high | 137 Ų | 137 | 77.4 Ų | 77.4 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | trans | -117.2 | 148.2 | -178.7 | -63.3 | 177.5 | 26.7 | 0 | 0 | 109.8 | L58 S59 D69 V73 | L58-Q71 CarbonylContact C-O 3.45Å; S59-Q71 WeakPolarHBondContact CB-O 3.07Å; S59-Q71 PolarHBondContact N-O 3.17Å; S59-Q71 PolarHBondContact OG-N 3.04Å; S59-Q71 PolarHBondContact OG-O 2.84Å; D69-Q71 PolarHBondContact O-N 3.4Å; Q71-V73 PolarHBondContact O-N 3.39Å | ||
| 72 | C | 95.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120 | 173.1 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | C52 M56 E57 | C52-C72 WeakPolarHBondContact CA-SG 3.44Å; C52-C72 HydrophobicContact CB-CB 3.87Å; C52-C72 WeakPolarHBondContact CB-SG 3.33Å; C52-C72 WeakPolarHBondContact SG-CA 3.46Å; C52-C72 WeakPolarHBondContact SG-CB 3.27Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.87Å; M56-C72 HydrophobicContact CB-CB 4.32Å; E57-C72 WeakPolarHBondContact O-CA 3.46Å |
| 73 | V | 95.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 81 Ų | 81 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.5 | 178.3 | -65 | 0 | 0 | 0 | 0 | 109.7 | M56 E57 Q71 | M56-V73 CarbonylContact C-O 3.5Å; M56-V73 VanDerWaalsContact CA-O 3.26Å; M56-V73 WeakPolarHBondContact CA-O 3.06Å; E57-V73 HydrophobicContact CG-CG2 4.47Å; E57-V73 PolarHBondContact N-O 2.93Å; E57-V73 WeakPolarHBondContact O-CG2 3.42Å; E57-V73 PolarHBondContact O-N 2.03Å; Q71-V73 PolarHBondContact O-N 3.39Å |
| 74 | T | 96.4 | Very high | 94 | Very high | 94 Ų | 94 | 89.4 Ų | 89.4 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 140.4 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | G55 M56 R76 | G55-T74 CarbonylContact O-C 3.36Å; G55-T74 WeakPolarHBondContact O-CA 3.46Å; M56-T74 HydrophobicContact CE-CG2 3.76Å; M56-T74 VanDerWaalsContact SD-CA 3.59Å; M56-T74 HydrophobicContact SD-CG2 3.76Å; M56-T74 PolarHBondContact SD-N 3.42Å; M56-T74 VanDerWaalsContact SD-N 3.43Å; T74-R76 PolarHBondContact O-N 2.97Å |
| 75 | C | 96.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 84 Ų | 84 | 8% | 0.081 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 137.8 | 170.3 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | G55 R79 C89 A108 | G55-C75 PolarHBondContact O-N 3.5Å; G55-C75 PolarHBondContact O-SG 3.35Å; C75-R79 HydrophobicContact CB-CB 4.35Å; C75-R79 WeakPolarHBondContact CB-O 3.18Å; C75-C89 WeakPolarHBondContact CA-SG 3.11Å; C75-C89 HydrophobicContact CB-CB 3.72Å; C75-C89 WeakPolarHBondContact CB-SG 3.42Å; C75-C89 WeakPolarHBondContact SG-CB 3.44Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 2.95Å; C75-A108 HydrophobicContact CB-CB 4.15Å |
| 76 | R | 94.9 | Very high | 93.8 | Very high | 194 Ų | 194 | 86.3 Ų | 86.3 | 73% | 0.732 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 161.2 | 172.6 | -60.2 | -175.2 | -176.5 | -172.7 | 0.3 | 110.9 | T74 R79 | T74-R76 PolarHBondContact O-N 2.97Å; R76-R79 WeakPolarHBondContact O-CB 3.39Å; R76-R79 PolarHBondContact O-N 2.97Å |
| 77 | L | 93.7 | Very high | 93.8 | Very high | 157 Ų | 157 | 84.7 Ų | 84.7 | 82% | 0.822 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 141.4 | 169.6 | -75.3 | 151.4 | 0 | 0 | 0 | 111 | R79 | L77-R79 PolarHBondContact O-N 3.3Š|
| 78 | H | 93.5 | Very high | 93.8 | Very high | 154 Ų | 154 | 88.8 Ų | 88.8 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.7 | -174.5 | -46.2 | -81.3 | 0 | 0 | 0 | 115 | C92 | H78-C92 PolarHBondContact O-N 2.88Å; H78-C92 PolarHBondContact O-SG 2.96Å; H78-C92 VanDerWaalsContact O-SG 3.33Å |
| 79 | R | 96.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 85.5 Ų | 85.5 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150 | 167.4 | -67.3 | -175.9 | 153.8 | -144.3 | -8.6 | 112.8 | E57 C75 R76 L77 C89 K90 C92 | E57-R79 IonicContact OE2-NH1 2.61Å; E57-R79 PolarHBondContact OE2-NH1 2.89Å; C75-R79 HydrophobicContact CB-CB 4.35Å; C75-R79 WeakPolarHBondContact CB-O 3.18Å; R76-R79 WeakPolarHBondContact O-CB 3.39Å; R76-R79 PolarHBondContact O-N 2.97Å; L77-R79 PolarHBondContact O-N 3.3Å; R79-C89 HydrophobicContact CB-CB 3.77Å; R79-C89 PolarHBondContact NH1-O 2.82Å; R79-K90 CarbonylContact C-O 3.59Å; R79-K90 WeakPolarHBondContact CA-O 3.33Å; R79-K90 WeakPolarHBondContact CB-O 3.18Å; R79-C92 PolarHBondContact N-SG 2.96Å |
| 80 | F | 96.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 87.3 Ų | 87.3 | 6% | 0.057 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.9 | -180 | 79.5 | -79.2 | 0 | 0 | 0 | 113.7 | E82 C89 K90 P91 S107 A108 D111 | F80-E82 HydrophobicContact CD2-CG 4.13Å; F80-E82 HydrophobicContact CE2-CG 4.24Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.14Å; F80-C89 CarbonylContact O-C 3.56Å; F80-C89 VanDerWaalsContact O-CA 3.3Å; F80-C89 WeakPolarHBondContact O-CA 3.23Å; F80-K90 HydrophobicContact CD1-CB 4.31Å; F80-K90 HydrophobicContact CE1-CB 3.9Å; F80-K90 HydrophobicContact CZ-CB 4.27Å; F80-K90 HydrophobicContact CZ-CD 4.34Å; F80-K90 PolarHBondContact N-O 3.27Å; F80-K90 PolarHBondContact O-N 3.04Å; F80-P91 WeakPolarHBondContact CE1-O 3.35Å; F80-S107 WeakPolarHBondContact CB-O 3.23Å; F80-A108 CarbonylContact C-O 3.59Å; F80-A108 WeakPolarHBondContact CA-O 3.32Å; F80-D111 HydrophobicContact CD1-CB 4.11Å; F80-D111 HydrophobicContact CD2-CB 4.12Å; F80-D111 VanDerWaalsContact CD2-N 3.31Å; F80-D111 HydrophobicContact CE1-CB 3.67Å; F80-D111 WeakPolarHBondContact CE1-OD1 3.37Å; F80-D111 WeakPolarHBondContact CE1-OD2 3.33Å; F80-D111 HydrophobicContact CE2-CB 3.69Å; F80-D111 HydrophobicContact CG-CB 4.31Å; F80-D111 HydrophobicContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CG 3.43Å; F80-D111 WeakPolarHBondContact CZ-OD2 3.47Å |
| 81 | K | 96.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 91.5 Ų | 91.5 | 6% | 0.061 | 44% | 0.439 | C | S | . | . | trans | -154.2 | 118.8 | 169.1 | 180 | 161.8 | 161.3 | -63.3 | 0 | 110.2 | C52 G53 P54 G55 M56 D83 Q87 C89 A108 | C52-K81 PolarHBondContact O-NZ 2.9Å; G53-K81 PolarHBondContact O-NZ 3.4Å; P54-K81 CarbonylContact C-O 3.27Å; P54-K81 VanDerWaalsContact CA-O 3.24Å; P54-K81 WeakPolarHBondContact CA-O 3.19Å; G55-K81 PolarHBondContact N-O 2.89Å; M56-K81 WeakPolarHBondContact O-CD 3.2Å; M56-K81 PolarHBondContact O-NZ 2.78Å; K81-D83 WeakPolarHBondContact CE-O 3.35Å; K81-D83 PolarHBondContact NZ-O 3.2Å; K81-Q87 VanDerWaalsContact CD-O 3.23Å; K81-Q87 WeakPolarHBondContact CD-O 2.99Å; K81-Q87 WeakPolarHBondContact CE-O 3.03Å; K81-C89 HydrophobicContact CB-CB 4.49Å; K81-A108 PolarHBondContact N-O 2.96Å | ||
| 82 | E | 95.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 86.3 Ų | 86.3 | 46% | 0.458 | 42% | 0.417 | S | S | . | . | trans | -84.7 | -39.2 | -177 | -76.5 | 158.9 | -164.4 | 0 | 0 | 112.8 | P54 F80 T109 D111 | P54-E82 WeakPolarHBondContact CB-O 3.45Å; P54-E82 VanDerWaalsContact CG-O 3.26Å; P54-E82 WeakPolarHBondContact CG-O 3.18Å; F80-E82 HydrophobicContact CD2-CG 4.13Å; F80-E82 HydrophobicContact CE2-CG 4.24Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.14Å; E82-T109 WeakPolarHBondContact CA-O 3.46Å; E82-T109 WeakPolarHBondContact CG-O 3.5Å; E82-D111 PolarHBondContact OE1-N 3Å | ||
| 83 | D | 94.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 87 Ų | 87 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -101.6 | 165.5 | -171.6 | -60.8 | -60.3 | 0 | 0 | 0 | 114.2 | K81 | K81-D83 WeakPolarHBondContact CE-O 3.35Å; K81-D83 PolarHBondContact NZ-O 3.2Å |
| 84 | W | 95 | Very high | 94.3 | Very high | 184 Ų | 184 | 88 Ų | 88 | 70% | 0.697 | 42% | 0.42 | S | S | * | . | trans | -72 | 145.8 | 163.5 | -76.3 | 84.1 | 0 | 0 | 0 | 111.7 | C52 G53 | C52-W84 WeakPolarHBondContact O-CA 3.34Å; G53-W84 VanDerWaalsContact CA-CD2 3.47Å | ||
| 85 | G | 91.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 83.6 Ų | 83.6 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | 148 | -170.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C52 | C52-G85 PolarHBondContact N-O 2.74Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 3.22Å |
| 86 | F | 89.3 | Confident | 93.8 | Very high | 64 Ų | 64 | 85.7 Ų | 85.7 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -83.4 | -10.3 | -178.7 | -51.8 | -76.8 | 0 | 0 | 0 | 114.5 | Q37 C49 Q51 | Q37-F86 HydrophobicContact CB-CZ 4.44Å; Q37-F86 HydrophobicContact CG-CE2 4.39Å; Q37-F86 VanDerWaalsContact OE1-CE2 3.25Å; C49-F86 HydrophobicContact CB-CD1 4.03Å; C49-F86 HydrophobicContact CB-CE1 3.7Å; C49-F86 WeakPolarHBondContact O-CE1 3.49Å; Q51-F86 HydrophobicContact CG-CD1 3.78Å; Q51-F86 HydrophobicContact CG-CD2 4.14Å; Q51-F86 HydrophobicContact CG-CE1 3.33Å; Q51-F86 HydrophobicContact CG-CE2 3.72Å; Q51-F86 HydrophobicContact CG-CG 4.17Å; Q51-F86 HydrophobicContact CG-CZ 3.31Å |
| 87 | Q | 89.8 | Confident | 93.6 | Very high | 147 Ų | 147 | 83.1 Ų | 83.1 | 69% | 0.687 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 140.7 | -177.9 | -61.1 | -65.2 | -12.6 | 0 | 0 | 110.7 | K81 | K81-Q87 VanDerWaalsContact CD-O 3.23Å; K81-Q87 WeakPolarHBondContact CD-O 2.99Å; K81-Q87 WeakPolarHBondContact CE-O 3.03Å |
| 88 | K | 92.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 78.3 Ų | 78.3 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 161.6 | 171.3 | -63.8 | -179 | -175.1 | 173.9 | 0 | 110.9 | E61 K90 | E61-K88 WeakPolarHBondContact OE1-CE 3.44Å; E61-K88 IonicContact OE1-NZ 3.71Å; E61-K88 WeakPolarHBondContact OE2-CE 3.34Å; E61-K88 IonicContact OE2-NZ 3.82Å; E61-K88 PolarHBondContact OE2-NZ 3.5Å; K88-K90 PolarHBondContact O-N 2.92Å |
| 89 | C | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 131.7 | 173.9 | -56 | 0 | 0 | 0 | 0 | 109.8 | E57 C75 R79 F80 K81 | E57-C89 VanDerWaalsContact CB-SG 3.54Å; E57-C89 HydrophobicContact CG-CB 4.45Å; E57-C89 VanDerWaalsContact CG-SG 3.58Å; E57-C89 WeakPolarHBondContact OE2-CB 3.35Å; E57-C89 PolarHBondContact OE2-N 3.03Å; C75-C89 WeakPolarHBondContact CA-SG 3.11Å; C75-C89 HydrophobicContact CB-CB 3.72Å; C75-C89 WeakPolarHBondContact CB-SG 3.42Å; C75-C89 WeakPolarHBondContact SG-CB 3.44Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 2.95Å; R79-C89 HydrophobicContact CB-CB 3.77Å; R79-C89 PolarHBondContact NH1-O 2.82Å; F80-C89 CarbonylContact O-C 3.56Å; F80-C89 VanDerWaalsContact O-CA 3.3Å; F80-C89 WeakPolarHBondContact O-CA 3.23Å; K81-C89 HydrophobicContact CB-CB 4.49Å |
| 90 | K | 96.1 | Very high | 92.9 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 149 | 179.9 | -63.9 | 173.6 | -173.8 | 168.5 | 0 | 109.4 | R79 F80 K88 | R79-K90 CarbonylContact C-O 3.59Å; R79-K90 WeakPolarHBondContact CA-O 3.33Å; R79-K90 WeakPolarHBondContact CB-O 3.18Å; F80-K90 HydrophobicContact CD1-CB 4.31Å; F80-K90 HydrophobicContact CE1-CB 3.9Å; F80-K90 HydrophobicContact CZ-CB 4.27Å; F80-K90 HydrophobicContact CZ-CD 4.34Å; F80-K90 PolarHBondContact N-O 3.27Å; F80-K90 PolarHBondContact O-N 3.04Å; K88-K90 PolarHBondContact O-N 2.92Å |
| 91 | P | 95.9 | Very high | 92.6 | Very high | 93 Ų | 93 | 74 Ų | 74 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 140.8 | 168 | 29 | -34.3 | 0 | 0 | 0 | 109.7 | F80 | F80-P91 WeakPolarHBondContact CE1-O 3.35Å |
| 92 | C | 95.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 78 Ų | 78 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 148.2 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | H78 R79 C106 D111 | H78-C92 PolarHBondContact O-N 2.88Å; H78-C92 PolarHBondContact O-SG 2.96Å; H78-C92 VanDerWaalsContact O-SG 3.33Å; R79-C92 PolarHBondContact N-SG 2.96Å; C92-C106 HydrophobicContact CB-CB 3.5Å; C92-C106 WeakPolarHBondContact CB-SG 3.21Å; C92-C106 WeakPolarHBondContact SG-CB 3.39Å; C92-C106 CovalentContact SG-SG 2.01Å; C92-C106 PolarHBondContact SG-SG 2.95Å; C92-D111 WeakPolarHBondContact CA-OD1 3.21Å |
| 93 | L | 93.1 | Very high | 92.4 | Very high | 74 Ų | 74 | 79.5 Ų | 79.5 | 39% | 0.387 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 129.1 | 167.4 | -179.8 | 59.5 | 0 | 0 | 0 | 110.5 | D111 A112 C114 | L93-D111 PolarHBondContact N-OD1 2.97Å; L93-A112 VanDerWaalsContact O-CB 3.27Å; L93-A112 WeakPolarHBondContact O-CB 3.32Å; L93-C114 WeakPolarHBondContact CD2-SG 3.41Å |
| 94 | D | 93.1 | Very high | 92.3 | Very high | 79 Ų | 79 | 75.6 Ų | 75.6 | 42% | 0.422 | 38% | 0.38 | S | S | . | . | trans | -94.1 | 113.8 | 167 | -174.3 | -11.8 | 0 | 0 | 0 | 109.6 | A96 L97 | D94-A96 VanDerWaalsContact C-N 3.28Å; D94-A96 PolarHBondContact O-N 2.91Å; D94-A96 VanDerWaalsContact OD1-CB 3.31Å; D94-A96 WeakPolarHBondContact OD1-CB 3.13Å; D94-A96 PolarHBondContact OD1-N 3.02Å; D94-L97 HydrophobicContact CB-CB 4.33Å; D94-L97 HydrophobicContact CB-CD1 3.92Å; D94-L97 HydrophobicContact CB-CG 3.9Å; D94-L97 PolarHBondContact O-N 3.13Å | ||
| 95 | C | 92 | Very high | 92.3 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 113 | V98 N99 R100 Q102 C114 | C95-V98 CarbonylContact O-C 3.01Å; C95-V98 VanDerWaalsContact O-CG2 3.32Å; C95-V98 WeakPolarHBondContact O-CG2 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; C95-N99 PolarHBondContact O-N 3.12Å; C95-R100 CarbonylContact C-O 3.59Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.5Å; C95-R100 PolarHBondContact O-N 2.61Å; C95-R100 VanDerWaalsContact O-O 3.09Å; C95-Q102 HydrophobicContact CB-CB 4.19Å; C95-C114 WeakPolarHBondContact CA-SG 3.31Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.07Å; C95-C114 WeakPolarHBondContact SG-CA 3.03Å; C95-C114 WeakPolarHBondContact SG-CB 3.35Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.04Å |
| 96 | A | 89.9 | Confident | 92.4 | Very high | 56 Ų | 56 | 74.2 Ų | 74.2 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D94 V98 N99 | D94-A96 VanDerWaalsContact C-N 3.28Å; D94-A96 PolarHBondContact O-N 2.91Å; D94-A96 VanDerWaalsContact OD1-CB 3.31Å; D94-A96 WeakPolarHBondContact OD1-CB 3.13Å; D94-A96 PolarHBondContact OD1-N 3.02Å; A96-V98 PolarHBondContact O-N 3.01Å; A96-N99 PolarHBondContact O-N 2.93Å |
| 97 | L | 90 | Very high | 92.7 | Very high | 141 Ų | 141 | 73.2 Ų | 73.2 | 74% | 0.738 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.3 | 176.9 | -64.8 | -177.3 | 0 | 0 | 0 | 113.5 | D94 | D94-L97 HydrophobicContact CB-CB 4.33Å; D94-L97 HydrophobicContact CB-CD1 3.92Å; D94-L97 HydrophobicContact CB-CG 3.9Å; D94-L97 PolarHBondContact O-N 3.13Å |
| 98 | V | 88.8 | Confident | 93 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 16.8 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | C95 A96 R100 | C95-V98 CarbonylContact O-C 3.01Å; C95-V98 VanDerWaalsContact O-CG2 3.32Å; C95-V98 WeakPolarHBondContact O-CG2 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; A96-V98 PolarHBondContact O-N 3.01Å; V98-R100 HydrophobicContact CG2-CB 4.28Å; V98-R100 HydrophobicContact CG2-CG 4.31Å; V98-R100 PolarHBondContact O-N 2.74Å |
| 99 | N | 90.1 | Very high | 93.2 | Very high | 50 Ų | 50 | 67 Ų | 67 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 44.9 | -179.9 | -53.9 | -62.3 | 0 | 0 | 0 | 113.7 | C95 A96 C117 L118 F121 C135 | C95-N99 PolarHBondContact O-N 3.12Å; A96-N99 PolarHBondContact O-N 2.93Å; N99-C117 CarbonylContact O-C 3.56Å; N99-C117 WeakPolarHBondContact O-CA 3.46Å; N99-L118 PolarHBondContact O-N 2.72Å; N99-F121 HydrophobicContact CB-CB 4.44Å; N99-F121 HydrophobicContact CB-CD1 3.69Å; N99-F121 HydrophobicContact CB-CD2 3.96Å; N99-F121 HydrophobicContact CB-CE1 3.85Å; N99-F121 HydrophobicContact CB-CE2 4.09Å; N99-F121 HydrophobicContact CB-CG 3.77Å; N99-F121 HydrophobicContact CB-CZ 4.04Å; N99-F121 VanDerWaalsContact CG-CZ 3.46Å; N99-F121 VanDerWaalsContact ND2-CE1 3.34Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.38Å; N99-F121 VanDerWaalsContact OD1-CZ 3.26Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.34Å; N99-C135 HydrophobicContact CB-CB 3.97Å |
| 100 | R | 90.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 5% | 0.045 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153 | 179.4 | -71.7 | 174.6 | 176.4 | -85.7 | -12.4 | 112.8 | C95 V98 C114 G115 D116 M133 C135 | C95-R100 CarbonylContact C-O 3.59Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.5Å; C95-R100 PolarHBondContact O-N 2.61Å; C95-R100 VanDerWaalsContact O-O 3.09Å; V98-R100 HydrophobicContact CG2-CB 4.28Å; V98-R100 HydrophobicContact CG2-CG 4.31Å; V98-R100 PolarHBondContact O-N 2.74Å; R100-C114 HydrophobicContact CB-CB 4.05Å; R100-G115 WeakPolarHBondContact CD-O 3.49Å; R100-G115 PolarHBondContact NH1-O 3.2Å; R100-D116 VanDerWaalsContact CA-O 3.31Å; R100-D116 WeakPolarHBondContact CA-O 3.46Å; R100-M133 VanDerWaalsContact CZ-O 3.23Å; R100-M133 PolarHBondContact NE-O 2.89Å; R100-M133 PolarHBondContact NH2-O 3.35Å; R100-C135 WeakPolarHBondContact CG-SG 3.42Å; R100-C135 VanDerWaalsContact CZ-SG 3.6Å |
| 101 | F | 90.4 | Very high | 93.1 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 139.3 | 167.6 | -71.8 | -77.4 | 0 | 0 | 0 | 111.3 | K103 G115 D116 L118 P119 | F101-K103 PolarHBondContact O-N 2.85Å; F101-G115 PolarHBondContact O-N 2.6Å; F101-D116 PolarHBondContact N-O 2.81Å; F101-L118 HydrophobicContact CD1-CD2 3.69Å; F101-L118 HydrophobicContact CD2-CD2 3.96Å; F101-L118 HydrophobicContact CE1-CD2 3.7Å; F101-L118 HydrophobicContact CE2-CD2 3.97Å; F101-L118 HydrophobicContact CG-CD2 3.83Å; F101-L118 HydrophobicContact CZ-CD2 3.86Å; F101-P119 HydrophobicContact CZ-CG 4.21Å |
| 102 | Q | 92.7 | Very high | 93 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.5 | 170.3 | -171.3 | 165.9 | 33.7 | 0 | 0 | 109.7 | C95 A104 | C95-Q102 HydrophobicContact CB-CB 4.19Å; Q102-A104 VanDerWaalsContact CG-O 3.26Å; Q102-A104 WeakPolarHBondContact CG-O 3.17Å |
| 103 | K | 93.6 | Very high | 92.9 | Very high | 130 Ų | 130 | 64.8 Ų | 64.8 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -30.6 | 175.9 | -79.1 | -178.2 | 177.2 | 165.8 | 0 | 112.5 | F101 I113 G115 D116 | F101-K103 PolarHBondContact O-N 2.85Å; K103-I113 WeakPolarHBondContact CA-O 3.29Å; K103-I113 HydrophobicContact CB-CG2 4.43Å; K103-I113 PolarHBondContact N-O 2.8Å; K103-G115 VanDerWaalsContact CD-CA 3.44Å; K103-G115 VanDerWaalsContact CE-CA 3.42Å; K103-D116 VanDerWaalsContact CE-OD2 3.27Å; K103-D116 WeakPolarHBondContact CE-OD2 3.27Å; K103-D116 IonicContact NZ-OD1 3.85Å; K103-D116 IonicContact NZ-OD2 3.49Å; K103-D116 PolarHBondContact NZ-OD2 3.35Å |
| 104 | A | 92.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 62.3 Ų | 62.3 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 141.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q102 A112 I113 | Q102-A104 VanDerWaalsContact CG-O 3.26Å; Q102-A104 WeakPolarHBondContact CG-O 3.17Å; A104-A112 WeakPolarHBondContact O-CA 3.32Å; A104-I113 HydrophobicContact CB-CB 3.86Å; A104-I113 HydrophobicContact CB-CD1 3.99Å; A104-I113 HydrophobicContact CB-CG1 3.97Å; A104-I113 PolarHBondContact N-O 3.39Å; A104-I113 PolarHBondContact O-N 3.37Å; A104-I113 VanDerWaalsContact O-N 3.11Å |
| 105 | N | 93.9 | Very high | 92.7 | Very high | 126 Ų | 126 | 58.7 Ų | 58.7 | 67% | 0.674 | 33% | 0.333 | S | S | * | . | trans | -71.4 | 147 | 173.9 | -64.9 | -18.8 | 0 | 0 | 0 | 110 | ||||
| 106 | C | 94.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 25% | 0.25 | 36% | 0.357 | C | S | . | . | trans | -64.4 | 145.7 | 171.6 | -165.8 | 0 | 0 | 0 | 0 | 110.9 | C92 S110 A112 | C92-C106 HydrophobicContact CB-CB 3.5Å; C92-C106 WeakPolarHBondContact CB-SG 3.21Å; C92-C106 WeakPolarHBondContact SG-CB 3.39Å; C92-C106 CovalentContact SG-SG 2.01Å; C92-C106 PolarHBondContact SG-SG 2.95Å; C106-S110 PolarHBondContact SG-O 3.28Å; C106-A112 HydrophobicContact CB-CB 4.06Å | ||
| 107 | S | 95.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -124 | 171.5 | 173.3 | 78.6 | 0 | 0 | 0 | 0 | 109.9 | F80 T109 S110 | F80-S107 WeakPolarHBondContact CB-O 3.23Å; S107-T109 PolarHBondContact O-N 3.11Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 VanDerWaalsContact OG-N 3.16Å; S107-T109 PolarHBondContact OG-OG1 2.88Å; S107-T109 VanDerWaalsContact OG-OG1 3.1Å; S107-S110 PolarHBondContact N-O 2.86Å; S107-S110 PolarHBondContact O-N 3.07Å; S107-S110 VanDerWaalsContact O-O 3.05Å; S107-S110 PolarHBondContact OG-N 2.79Å; S107-S110 PolarHBondContact OG-OG 2.93Å |
| 108 | A | 95.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G55 C75 F80 K81 | G55-A108 WeakPolarHBondContact CA-O 3.09Å; C75-A108 HydrophobicContact CB-CB 4.15Å; F80-A108 CarbonylContact C-O 3.59Å; F80-A108 WeakPolarHBondContact CA-O 3.32Å; K81-A108 PolarHBondContact N-O 2.96Å |
| 109 | T | 96 | Very high | 92.2 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -5.9 | -173.1 | 48.1 | 0 | 0 | 0 | 0 | 115 | P54 E82 S107 | P54-T109 HydrophobicContact CB-CG2 3.99Å; E82-T109 WeakPolarHBondContact CA-O 3.46Å; E82-T109 WeakPolarHBondContact CG-O 3.5Å; S107-T109 PolarHBondContact O-N 3.11Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 VanDerWaalsContact OG-N 3.16Å; S107-T109 PolarHBondContact OG-OG1 2.88Å; S107-T109 VanDerWaalsContact OG-OG1 3.1Å |
| 110 | S | 94.5 | Very high | 91.7 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -156.6 | 146.8 | -174 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | C106 S107 | C106-S110 PolarHBondContact SG-O 3.28Å; S107-S110 PolarHBondContact N-O 2.86Å; S107-S110 PolarHBondContact O-N 3.07Å; S107-S110 VanDerWaalsContact O-O 3.05Å; S107-S110 PolarHBondContact OG-N 2.79Å; S107-S110 PolarHBondContact OG-OG 2.93Å |
| 111 | D | 95.8 | Very high | 91.4 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 22% | 0.219 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 167.8 | 174.6 | -149.3 | -10.1 | 0 | 0 | 0 | 113.1 | F80 E82 C92 L93 | F80-D111 HydrophobicContact CD1-CB 4.11Å; F80-D111 HydrophobicContact CD2-CB 4.12Å; F80-D111 VanDerWaalsContact CD2-N 3.31Å; F80-D111 HydrophobicContact CE1-CB 3.67Å; F80-D111 WeakPolarHBondContact CE1-OD1 3.37Å; F80-D111 WeakPolarHBondContact CE1-OD2 3.33Å; F80-D111 HydrophobicContact CE2-CB 3.69Å; F80-D111 HydrophobicContact CG-CB 4.31Å; F80-D111 HydrophobicContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CB 3.45Å; F80-D111 VanDerWaalsContact CZ-CG 3.43Å; F80-D111 WeakPolarHBondContact CZ-OD2 3.47Å; E82-D111 PolarHBondContact OE1-N 3Å; C92-D111 WeakPolarHBondContact CA-OD1 3.21Å; L93-D111 PolarHBondContact N-OD1 2.97Å |
| 112 | A | 94.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | L93 A104 C106 | L93-A112 VanDerWaalsContact O-CB 3.27Å; L93-A112 WeakPolarHBondContact O-CB 3.32Å; A104-A112 WeakPolarHBondContact O-CA 3.32Å; C106-A112 HydrophobicContact CB-CB 4.06Å |
| 113 | I | 93.1 | Very high | 90.2 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 54% | 0.538 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.1 | 177.8 | -57.1 | 176.9 | 0 | 0 | 0 | 109 | K103 A104 | K103-I113 WeakPolarHBondContact CA-O 3.29Å; K103-I113 HydrophobicContact CB-CG2 4.43Å; K103-I113 PolarHBondContact N-O 2.8Å; A104-I113 HydrophobicContact CB-CB 3.86Å; A104-I113 HydrophobicContact CB-CD1 3.99Å; A104-I113 HydrophobicContact CB-CG1 3.97Å; A104-I113 PolarHBondContact N-O 3.39Å; A104-I113 PolarHBondContact O-N 3.37Å; A104-I113 VanDerWaalsContact O-N 3.11Å |
| 114 | C | 92.5 | Very high | 89.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.1 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | L93 C95 R100 | L93-C114 WeakPolarHBondContact CD2-SG 3.41Å; C95-C114 WeakPolarHBondContact CA-SG 3.31Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.07Å; C95-C114 WeakPolarHBondContact SG-CA 3.03Å; C95-C114 WeakPolarHBondContact SG-CB 3.35Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.04Å; R100-C114 HydrophobicContact CB-CB 4.05Å |
| 115 | G | 89.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -141.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R100 F101 K103 | R100-G115 WeakPolarHBondContact CD-O 3.49Å; R100-G115 PolarHBondContact NH1-O 3.2Å; F101-G115 PolarHBondContact O-N 2.6Å; K103-G115 VanDerWaalsContact CD-CA 3.44Å; K103-G115 VanDerWaalsContact CE-CA 3.42Å |
| 116 | D | 87.4 | Confident | 86.3 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 163.6 | -174 | -50.6 | -71 | 0 | 0 | 0 | 111.4 | R100 F101 K103 | R100-D116 VanDerWaalsContact CA-O 3.31Å; R100-D116 WeakPolarHBondContact CA-O 3.46Å; F101-D116 PolarHBondContact N-O 2.81Å; K103-D116 VanDerWaalsContact CE-OD2 3.27Å; K103-D116 WeakPolarHBondContact CE-OD2 3.27Å; K103-D116 IonicContact NZ-OD1 3.85Å; K103-D116 IonicContact NZ-OD2 3.49Å; K103-D116 PolarHBondContact NZ-OD2 3.35Å |
| 117 | C | 88.6 | Confident | 84.5 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 14% | 0.142 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 147.2 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | N99 F121 C135 | N99-C117 CarbonylContact O-C 3.56Å; N99-C117 WeakPolarHBondContact O-CA 3.46Å; C117-F121 HydrophobicContact CB-CB 4.07Å; C117-C135 WeakPolarHBondContact CA-SG 3.26Å; C117-C135 HydrophobicContact CB-CB 3.81Å; C117-C135 WeakPolarHBondContact CB-SG 3.32Å; C117-C135 WeakPolarHBondContact SG-CB 3.38Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 2.74Å |
| 118 | L | 88.4 | Confident | 82.8 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65 | 157.8 | 173.2 | -68.2 | 176.8 | 0 | 0 | 0 | 111.2 | N99 F101 G120 F121 | N99-L118 PolarHBondContact O-N 2.72Å; F101-L118 HydrophobicContact CD1-CD2 3.69Å; F101-L118 HydrophobicContact CD2-CD2 3.96Å; F101-L118 HydrophobicContact CE1-CD2 3.7Å; F101-L118 HydrophobicContact CE2-CD2 3.97Å; F101-L118 HydrophobicContact CG-CD2 3.83Å; F101-L118 HydrophobicContact CZ-CD2 3.86Å; L118-G120 PolarHBondContact O-N 2.88Å; L118-F121 HydrophobicContact CB-CD2 4.17Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å |
| 119 | P | 85.4 | Confident | 80.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 58% | 0.578 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.6 | 176.3 | -23.4 | 34.9 | 0 | 0 | 0 | 111.6 | F101 F121 | F101-P119 HydrophobicContact CZ-CG 4.21Å; P119-F121 VanDerWaalsContact C-N 3.29Å |
| 120 | G | 79.7 | Confident | 78.8 | Confident | 27 Ų | 27 | 74 Ų | 74 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 2.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L118 C138 | L118-G120 PolarHBondContact O-N 2.88Å; G120-C138 PolarHBondContact O-N 2.93Å; G120-C138 PolarHBondContact O-SG 3.05Å |
| 121 | F | 83.9 | Confident | 77 | Confident | 47 Ų | 47 | 77.9 Ų | 77.9 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.8 | 170.5 | -60 | -98.9 | 0 | 0 | 0 | 110.9 | N99 C117 L118 P119 C135 V136 P137 | N99-F121 HydrophobicContact CB-CB 4.44Å; N99-F121 HydrophobicContact CB-CD1 3.69Å; N99-F121 HydrophobicContact CB-CD2 3.96Å; N99-F121 HydrophobicContact CB-CE1 3.85Å; N99-F121 HydrophobicContact CB-CE2 4.09Å; N99-F121 HydrophobicContact CB-CG 3.77Å; N99-F121 HydrophobicContact CB-CZ 4.04Å; N99-F121 VanDerWaalsContact CG-CZ 3.46Å; N99-F121 VanDerWaalsContact ND2-CE1 3.34Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.38Å; N99-F121 VanDerWaalsContact OD1-CZ 3.26Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.34Å; C117-F121 HydrophobicContact CB-CB 4.07Å; L118-F121 HydrophobicContact CB-CD2 4.17Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.3Å; P119-F121 VanDerWaalsContact C-N 3.29Å; F121-C135 HydrophobicContact CB-CB 4.06Å; F121-V136 CarbonylContact C-O 3.56Å; F121-V136 VanDerWaalsContact CA-O 3.28Å; F121-V136 WeakPolarHBondContact CA-O 3.29Å; F121-P137 HydrophobicContact CD1-CB 4.02Å; F121-P137 HydrophobicContact CE1-CB 3.84Å; F121-P137 HydrophobicContact CE1-CG 4.46Å |
| 122 | Y | 78.5 | Confident | 75.2 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 158.9 | 177 | 74.7 | -80.4 | 0 | 0 | 0 | 111.2 | K124 V136 E146 | Y122-K124 HydrophobicContact CE2-CB 4.35Å; Y122-V136 HydrophobicContact CD1-CB 4.28Å; Y122-V136 WeakPolarHBondContact CD1-O 3.43Å; Y122-V136 HydrophobicContact CE1-CB 3.79Å; Y122-V136 HydrophobicContact CE1-CG1 3.76Å; Y122-V136 PolarHBondContact N-O 3.15Å; Y122-V136 PolarHBondContact O-N 3.44Å; Y122-E146 VanDerWaalsContact CB-CG 3.42Å; Y122-E146 HydrophobicContact CD1-CG 4.42Å; Y122-E146 VanDerWaalsContact CD2-CD 3.42Å; Y122-E146 HydrophobicContact CD2-CG 3.85Å; Y122-E146 HydrophobicContact CG-CG 3.65Å |
| 123 | R | 79.4 | Confident | 73.7 | Confident | 74 Ų | 74 | 82.3 Ų | 82.3 | 28% | 0.279 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.4 | -177.6 | -171.6 | -174.5 | -169.3 | -179.8 | 3.1 | 110.4 | T125 Q131 D132 M133 | R123-T125 PolarHBondContact O-N 3.13Å; R123-Q131 VanDerWaalsContact NH2-CB 3.27Å; R123-Q131 PolarHBondContact NH2-O 3.42Å; R123-D132 PolarHBondContact NE-O 2.87Å; R123-D132 PolarHBondContact NH2-O 3.25Å; R123-M133 PolarHBondContact NH2-SD 3.45Å |
| 124 | K | 71.8 | Confident | 73.1 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 55% | 0.548 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 117.4 | 173.9 | -168.7 | 173.4 | -177.7 | 178.8 | 0 | 110.4 | Y122 D132 V136 | Y122-K124 HydrophobicContact CE2-CB 4.35Å; K124-D132 WeakPolarHBondContact O-CB 3.32Å; K124-V136 HydrophobicContact CB-CG2 3.85Å; K124-V136 HydrophobicContact CD-CG2 4.41Å |
| 125 | T | 65.9 | Low | 72.8 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 60% | 0.595 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 136.9 | 167.6 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | R123 | R123-T125 PolarHBondContact O-N 3.13Š|
| 126 | K | 61.5 | Low | 72.6 | Confident | 111 Ų | 111 | 84.1 Ų | 84.1 | 48% | 0.483 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 147.7 | 167.5 | -92.3 | 174.3 | 172.1 | 129.6 | 0 | 109 | V128 G129 F130 D132 | K126-V128 PolarHBondContact O-N 3.32Å; K126-G129 PolarHBondContact O-N 2.85Å; K126-F130 HydrophobicContact CB-CB 4.34Å; K126-F130 PolarHBondContact N-O 2.74Å; K126-F130 VanDerWaalsContact N-O 3.14Å; K126-D132 VanDerWaalsContact CD-OD2 3.23Å; K126-D132 WeakPolarHBondContact CD-OD2 3.44Å; K126-D132 WeakPolarHBondContact CE-OD2 3.42Å; K126-D132 HydrophobicContact CG-CB 4.42Å; K126-D132 VanDerWaalsContact CG-OD2 3.31Å; K126-D132 WeakPolarHBondContact CG-OD2 3.25Å; K126-D132 IonicContact NZ-OD1 2.78Å; K126-D132 PolarHBondContact NZ-OD1 3.18Å; K126-D132 IonicContact NZ-OD2 3.99Å; K126-D132 PolarHBondContact NZ-OD2 2.97Å |
| 127 | L | 57 | Low | 72.4 | Confident | 185 Ų | 185 | 83.4 Ų | 83.4 | 97% | 0.969 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 10.4 | -174 | -83.4 | 157.6 | 0 | 0 | 0 | 116.4 | ||
| 128 | V | 59.8 | Low | 72.1 | Confident | 132 Ų | 132 | 84 Ų | 84 | 80% | 0.8 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | 36.5 | -179.7 | -160.2 | 0 | 0 | 0 | 0 | 110.5 | K126 F130 | K126-V128 PolarHBondContact O-N 3.32Å; V128-F130 PolarHBondContact O-N 2.95Å |
| 129 | G | 56.6 | Low | 71.2 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 75% | 0.753 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 66.7 | -1.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K126 Q131 | K126-G129 PolarHBondContact O-N 2.85Å; G129-Q131 PolarHBondContact O-N 2.94Å |
| 130 | F | 51.9 | Low | 69.9 | Low | 158 Ų | 158 | 87.6 Ų | 87.6 | 69% | 0.693 | 48% | 0.478 | S | S | * | . | trans | -74.3 | 125.5 | 178.8 | -136.7 | -96.3 | 0 | 0 | 0 | 110.2 | K126 V128 D132 | K126-F130 HydrophobicContact CB-CB 4.34Å; K126-F130 PolarHBondContact N-O 2.74Å; K126-F130 VanDerWaalsContact N-O 3.14Å; V128-F130 PolarHBondContact O-N 2.95Å; F130-D132 VanDerWaalsContact C-N 3.34Å; F130-D132 PolarHBondContact O-N 3.33Å | ||
| 131 | Q | 55.1 | Low | 69 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | trans | -81.4 | 77.7 | -171.1 | -111.3 | -168.9 | 60.8 | 0 | 0 | 110.3 | R123 G129 M133 | R123-Q131 VanDerWaalsContact NH2-CB 3.27Å; R123-Q131 PolarHBondContact NH2-O 3.42Å; G129-Q131 PolarHBondContact O-N 2.94Å; Q131-M133 PolarHBondContact O-N 3.27Å | ||
| 132 | D | 58.1 | Low | 67.7 | Low | 35 Ų | 35 | 92.4 Ų | 92.4 | 19% | 0.187 | 51% | 0.509 | C | S | . | . | trans | -54.5 | 135.2 | 174.4 | -109.8 | 2.3 | 0 | 0 | 0 | 110.4 | R123 K124 K126 F130 | R123-D132 PolarHBondContact NE-O 2.87Å; R123-D132 PolarHBondContact NH2-O 3.25Å; K124-D132 WeakPolarHBondContact O-CB 3.32Å; K126-D132 VanDerWaalsContact CD-OD2 3.23Å; K126-D132 WeakPolarHBondContact CD-OD2 3.44Å; K126-D132 WeakPolarHBondContact CE-OD2 3.42Å; K126-D132 HydrophobicContact CG-CB 4.42Å; K126-D132 VanDerWaalsContact CG-OD2 3.31Å; K126-D132 WeakPolarHBondContact CG-OD2 3.25Å; K126-D132 IonicContact NZ-OD1 2.78Å; K126-D132 PolarHBondContact NZ-OD1 3.18Å; K126-D132 IonicContact NZ-OD2 3.99Å; K126-D132 PolarHBondContact NZ-OD2 2.97Å; F130-D132 VanDerWaalsContact C-N 3.34Å; F130-D132 PolarHBondContact O-N 3.33Å | ||
| 133 | M | 63.5 | Low | 66.7 | Low | 105 Ų | 105 | 92.9 Ų | 92.9 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | trans | -88.9 | 5.3 | 178 | -68.8 | -64.5 | -76.4 | 0 | 0 | 112 | R100 R123 Q131 | R100-M133 VanDerWaalsContact CZ-O 3.23Å; R100-M133 PolarHBondContact NE-O 2.89Å; R100-M133 PolarHBondContact NH2-O 3.35Å; R123-M133 PolarHBondContact NH2-SD 3.45Å; Q131-M133 PolarHBondContact O-N 3.27Å | ||
| 134 | E | 80.3 | Confident | 65.7 | Low | 128 Ų | 128 | 94.9 Ų | 94.9 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | trans | -73.7 | 128.1 | 175.1 | -167.4 | 169.6 | -159.6 | 0 | 0 | 111.1 | V136 | E134-V136 HydrophobicContact CG-CG2 4.41Š| ||
| 135 | C | 86.1 | Confident | 65 | Low | 8 Ų | 8 | 98.6 Ų | 98.6 | 5% | 0.054 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 112.4 | 172.7 | -71.5 | 0 | 0 | 0 | 0 | 108.1 | N99 R100 C117 F121 | N99-C135 HydrophobicContact CB-CB 3.97Å; R100-C135 WeakPolarHBondContact CG-SG 3.42Å; R100-C135 VanDerWaalsContact CZ-SG 3.6Å; C117-C135 WeakPolarHBondContact CA-SG 3.26Å; C117-C135 HydrophobicContact CB-CB 3.81Å; C117-C135 WeakPolarHBondContact CB-SG 3.32Å; C117-C135 WeakPolarHBondContact SG-CB 3.38Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 2.74Å; F121-C135 HydrophobicContact CB-CB 4.06Å |
| 136 | V | 85.3 | Confident | 64.7 | Low | 33 Ų | 33 | 96.5 Ų | 96.5 | 20% | 0.2 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.1 | -174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | F121 Y122 K124 E134 | F121-V136 CarbonylContact C-O 3.56Å; F121-V136 VanDerWaalsContact CA-O 3.28Å; F121-V136 WeakPolarHBondContact CA-O 3.29Å; Y122-V136 HydrophobicContact CD1-CB 4.28Å; Y122-V136 WeakPolarHBondContact CD1-O 3.43Å; Y122-V136 HydrophobicContact CE1-CB 3.79Å; Y122-V136 HydrophobicContact CE1-CG1 3.76Å; Y122-V136 PolarHBondContact N-O 3.15Å; Y122-V136 PolarHBondContact O-N 3.44Å; K124-V136 HydrophobicContact CB-CG2 3.85Å; K124-V136 HydrophobicContact CD-CG2 4.41Å; E134-V136 HydrophobicContact CG-CG2 4.41Å |
| 137 | P | 84.8 | Confident | 64.6 | Low | 83 Ų | 83 | 96 Ų | 96 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 141.7 | 176.6 | 25.6 | -34.1 | 0 | 0 | 0 | 111.2 | F121 | F121-P137 HydrophobicContact CD1-CB 4.02Å; F121-P137 HydrophobicContact CE1-CB 3.84Å; F121-P137 HydrophobicContact CE1-CG 4.46Å |
| 138 | C | 80.4 | Confident | 64.7 | Low | 33 Ų | 33 | 92.6 Ų | 92.6 | 22% | 0.223 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 138 | 170.2 | -60.7 | 0 | 0 | 0 | 0 | 110 | G120 C149 | G120-C138 PolarHBondContact O-N 2.93Å; G120-C138 PolarHBondContact O-SG 3.05Å; C138-C149 HydrophobicContact CB-CB 3.77Å; C138-C149 WeakPolarHBondContact CB-SG 3.27Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.3Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 3.41Å |
| 139 | G | 69.8 | Low | 64.9 | Low | 41 Ų | 41 | 87 Ų | 87 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 162.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P141 P142 | G139-P141 CarbonylContact O-C 3.55Å; G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.29Å |
| 140 | D | 59.1 | Low | 65.1 | Low | 171 Ų | 171 | 87.3 Ų | 87.3 | 91% | 0.914 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -102.4 | 114.1 | 167.8 | -78.6 | -38.1 | 0 | 0 | 0 | 109.6 | ||
| 141 | P | 59.5 | Low | 65.2 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 75% | 0.753 | 47% | 0.472 | S | S | * | . | S | Bend | cis | -77.6 | 155.7 | -4.5 | 33.7 | -35.7 | 0 | 0 | 0 | 112.9 | G139 | G139-P141 CarbonylContact O-C 3.55Š|
| 142 | P | 57.5 | Low | 65.1 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 146.8 | -179.5 | 27.4 | -35.3 | 0 | 0 | 0 | 111.8 | G139 C149 | G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.29Å; P142-C149 HydrophobicContact CB-CB 3.6Å |
| 143 | P | 57.8 | Low | 64.6 | Low | 54 Ų | 54 | 89 Ų | 89 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 137.3 | 175.4 | -23.5 | 33.7 | 0 | 0 | 0 | 111.4 | Y145 E146 | P143-Y145 PolarHBondContact O-N 3.44Å; P143-E146 HydrophobicContact CB-CB 4.41Å; P143-E146 PolarHBondContact O-N 2.98Å |
| 144 | P | 58 | Low | 63.6 | Low | 116 Ų | 116 | 90.8 Ų | 90.8 | 75% | 0.753 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.2 | -175.9 | -25.4 | 34 | 0 | 0 | 0 | 116 | ||
| 145 | Y | 56.4 | Low | 62 | Low | 204 Ų | 204 | 91.9 Ų | 91.9 | 80% | 0.8 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 3.8 | -168.2 | -51.2 | -72.6 | 0 | 0 | 0 | 113.5 | P143 P147 | P143-Y145 PolarHBondContact O-N 3.44Å; Y145-P147 WeakPolarHBondContact O-CD 3.45Å |
| 146 | E | 61.2 | Low | 59.9 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 25% | 0.252 | 56% | 0.558 | S | S | . | * | trans | -111.6 | 94.6 | -170.9 | -155.3 | 70.6 | -133.8 | 0 | 0 | 111.4 | Y122 P143 H148 C149 | Y122-E146 VanDerWaalsContact CB-CG 3.42Å; Y122-E146 HydrophobicContact CD1-CG 4.42Å; Y122-E146 VanDerWaalsContact CD2-CD 3.42Å; Y122-E146 HydrophobicContact CD2-CG 3.85Å; Y122-E146 HydrophobicContact CG-CG 3.65Å; P143-E146 HydrophobicContact CB-CB 4.41Å; P143-E146 PolarHBondContact O-N 2.98Å; E146-H148 PolarHBondContact O-N 3.47Å; E146-H148 VanDerWaalsContact O-N 3.16Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.02Å | ||
| 147 | P | 59.1 | Low | 57.7 | Low | 100 Ų | 100 | 104.5 Ų | 104.5 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -64.4 | -24.8 | -171.2 | 25.4 | -34.7 | 0 | 0 | 0 | 113.6 | Y145 C149 A150 | Y145-P147 WeakPolarHBondContact O-CD 3.45Å; P147-C149 PolarHBondContact O-N 2.93Å; P147-A150 WeakPolarHBondContact O-CB 3.31Å; P147-A150 PolarHBondContact O-N 3.04Å |
| 148 | H | 59.3 | Low | 55.5 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -70.2 | -19 | 176.7 | -60.5 | -67.4 | 0 | 0 | 0 | 113.6 | E146 | E146-H148 PolarHBondContact O-N 3.47Å; E146-H148 VanDerWaalsContact O-N 3.16Å |
| 149 | C | 62.9 | Low | 53.2 | Low | 16 Ų | 16 | 109.5 Ų | 109.5 | 11% | 0.108 | 61% | 0.614 | C | S | . | * | G | 310 helix | trans | -91.1 | -1.2 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 113.5 | C138 P142 E146 P147 S151 | C138-C149 HydrophobicContact CB-CB 3.77Å; C138-C149 WeakPolarHBondContact CB-SG 3.27Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.3Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 3.41Å; P142-C149 HydrophobicContact CB-CB 3.6Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.02Å; P147-C149 PolarHBondContact O-N 2.93Å; C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.28Å |
| 150 | A | 60.7 | Low | 51.6 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 65% | 0.653 | 63% | 0.631 | S | S | * | * | trans | -84.9 | 7.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P147 K152 | P147-A150 WeakPolarHBondContact O-CB 3.31Å; P147-A150 PolarHBondContact O-N 3.04Å; A150-K152 PolarHBondContact O-N 2.8Å | ||
| 151 | S | 55.3 | Low | 50.6 | Low | 61 Ų | 61 | 111 Ų | 111 | 43% | 0.427 | 63% | 0.626 | S | S | . | * | trans | -72.6 | 90.1 | -179.1 | 67.4 | 0 | 0 | 0 | 0 | 111.5 | C149 V153 | C149-S151 VanDerWaalsContact C-N 3.29Å; C149-S151 PolarHBondContact O-N 3.28Å; S151-V153 PolarHBondContact O-N 2.91Å | ||
| 152 | K | 52.7 | Low | 49.7 | Very low | 191 Ų | 191 | 109.7 Ų | 109.7 | 83% | 0.83 | 63% | 0.625 | S | S | * | * | trans | -68.8 | 66.6 | 171.7 | -168.8 | -176.5 | -179.6 | 178.5 | 0 | 111.6 | A150 | A150-K152 PolarHBondContact O-N 2.8Š| ||
| 153 | V | 47.8 | Very low | 49 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 62% | 0.624 | 64% | 0.64 | S | S | * | * | trans | -77.8 | 129.9 | 153.9 | -75.6 | 0 | 0 | 0 | 0 | 107.5 | S151 L155 | S151-V153 PolarHBondContact O-N 2.91Å; V153-L155 HydrophobicContact CG2-CD1 3.99Å; V153-L155 PolarHBondContact O-N 3.49Å | ||
| 154 | N | 41.3 | Very low | 48.6 | Very low | 144 Ų | 144 | 111 Ų | 111 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | trans | -70.5 | 84.7 | 170.5 | -75.5 | -74.6 | 0 | 0 | 0 | 108 | V156 | N154-V156 PolarHBondContact O-N 2.91Š| ||
| 155 | L | 47.4 | Very low | 48.4 | Very low | 151 Ų | 151 | 111 Ų | 111 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | trans | -59.8 | 98 | 154.4 | -108.3 | 74 | 0 | 0 | 0 | 105.9 | V153 K157 | V153-L155 HydrophobicContact CG2-CD1 3.99Å; V153-L155 PolarHBondContact O-N 3.49Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.97Å | ||
| 156 | V | 42.7 | Very low | 48.3 | Very low | 124 Ų | 124 | 110 Ų | 110 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -54.6 | 110.3 | 156 | 172 | 0 | 0 | 0 | 0 | 104.5 | N154 I158 | N154-V156 PolarHBondContact O-N 2.91Å; V156-I158 PolarHBondContact O-N 2.94Å | ||
| 157 | K | 38.4 | Very low | 47.9 | Very low | 182 Ų | 182 | 111.5 Ų | 111.5 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | trans | -63.4 | 87.8 | 176.7 | -177.4 | 170.4 | -176 | 162.4 | 0 | 107.3 | L155 A159 | L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.97Å; K157-A159 VanDerWaalsContact C-N 3.25Å; K157-A159 PolarHBondContact O-N 3.36Å | ||
| 158 | I | 37.3 | Very low | 47.8 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 78% | 0.779 | 64% | 0.641 | S | S | * | * | trans | -54.3 | 107.4 | 152.8 | -57.1 | 178.2 | 0 | 0 | 0 | 102.6 | V156 S160 | V156-I158 PolarHBondContact O-N 2.94Å; I158-S160 PolarHBondContact O-N 3.39Å | ||
| 159 | A | 32.7 | Very low | 47.8 | Very low | 69 Ų | 69 | 108.7 Ų | 108.7 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | trans | -58.5 | 111.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | K157 T161 | K157-A159 VanDerWaalsContact C-N 3.25Å; K157-A159 PolarHBondContact O-N 3.36Å; A159-T161 PolarHBondContact O-N 3.31Å | ||
| 160 | S | 36.1 | Very low | 48 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | trans | -50.6 | 108.6 | 169 | -54.9 | 0 | 0 | 0 | 0 | 105.8 | I158 A162 | I158-S160 PolarHBondContact O-N 3.39Å; S160-A162 PolarHBondContact O-N 3.28Å | ||
| 161 | T | 37.9 | Very low | 48 | Very low | 130 Ų | 130 | 111.1 Ų | 111.1 | 80% | 0.798 | 64% | 0.643 | S | S | * | * | trans | -51.2 | 112.7 | -174.7 | -62.1 | 0 | 0 | 0 | 0 | 106.7 | A159 S163 | A159-T161 PolarHBondContact O-N 3.31Å; T161-S163 PolarHBondContact O-N 2.82Å | ||
| 162 | A | 40.8 | Very low | 48.3 | Very low | 89 Ų | 89 | 111 Ų | 111 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | trans | -53.4 | 116.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | S160 S164 | S160-A162 PolarHBondContact O-N 3.28Å; A162-S164 PolarHBondContact O-N 2.79Å | ||
| 163 | S | 44 | Very low | 49.5 | Very low | 99 Ų | 99 | 107 Ų | 107 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | trans | -50.7 | 115.9 | -170.2 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | T161 | T161-S163 PolarHBondContact O-N 2.82Š| ||
| 164 | S | 48.7 | Very low | 50.9 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 29% | 0.294 | 63% | 0.627 | S | S | . | * | trans | -67.7 | 146.3 | -170.8 | -166.8 | 0 | 0 | 0 | 0 | 107.3 | A162 R166 D167 | A162-S164 PolarHBondContact O-N 2.79Å; S164-R166 PolarHBondContact O-N 3.44Å; S164-D167 PolarHBondContact N-OD2 2.64Å; S164-D167 PolarHBondContact O-N 2.82Å | ||
| 165 | P | 53.7 | Low | 52.1 | Low | 115 Ų | 115 | 104 Ų | 104 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.8 | -0.6 | 173.1 | -26.3 | 35.6 | 0 | 0 | 0 | 115.1 | T168 | P165-T168 PolarHBondContact O-OG1 2.75Å |
| 166 | R | 53.2 | Low | 53.1 | Low | 185 Ų | 185 | 100 Ų | 100 | 70% | 0.698 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.2 | -27.4 | 173 | -61.6 | 177.6 | 177.5 | 144.2 | 0.6 | 112.9 | S164 A169 L170 | S164-R166 PolarHBondContact O-N 3.44Å; R166-A169 PolarHBondContact O-N 3.39Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 2.79Å |
| 167 | D | 53.7 | Low | 54.7 | Low | 84 Ų | 84 | 96.4 Ų | 96.4 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.6 | -34.5 | -173.6 | -57.8 | -37.8 | 0 | 0 | 0 | 111.8 | S164 A171 | S164-D167 PolarHBondContact N-OD2 2.64Å; S164-D167 PolarHBondContact O-N 2.82Å; D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.87Å |
| 168 | T | 57.5 | Low | 56.6 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.5 | -36 | 170.8 | 45.9 | 0 | 0 | 0 | 0 | 112.5 | P165 A172 | P165-T168 PolarHBondContact O-OG1 2.75Å; T168-A172 VanDerWaalsContact O-CB 3.32Å; T168-A172 WeakPolarHBondContact O-CB 3.29Å; T168-A172 PolarHBondContact O-N 3.29Å |
| 169 | A | 58.6 | Low | 58.3 | Low | 49 Ų | 49 | 88.1 Ų | 88.1 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.6 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R166 A172 I173 | R166-A169 PolarHBondContact O-N 3.39Å; A169-A172 PolarHBondContact O-N 3.35Å; A169-I173 WeakPolarHBondContact O-CD1 3.5Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.85Å |
| 170 | L | 68.3 | Low | 60.5 | Low | 96 Ų | 96 | 89 Ų | 89 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.5 | -42.6 | 176.1 | -70.4 | 170.8 | 0 | 0 | 0 | 111.8 | R166 A172 I173 I174 | R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.25Å; R166-L170 PolarHBondContact O-N 2.79Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-I173 PolarHBondContact O-N 3.31Å; L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.37Å |
| 171 | A | 58.8 | Low | 62.9 | Low | 49 Ų | 49 | 87.6 Ų | 87.6 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | D167 I174 C175 | D167-A171 WeakPolarHBondContact O-CB 3.18Å; D167-A171 PolarHBondContact O-N 2.87Å; A171-I174 PolarHBondContact O-N 2.85Å; A171-C175 VanDerWaalsContact O-CB 3.26Å; A171-C175 WeakPolarHBondContact O-CB 3.39Å; A171-C175 PolarHBondContact O-N 3.31Å; A171-C175 PolarHBondContact O-SG 2.8Å |
| 172 | A | 62.4 | Low | 64.9 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T168 A169 L170 S176 | T168-A172 VanDerWaalsContact O-CB 3.32Å; T168-A172 WeakPolarHBondContact O-CB 3.29Å; T168-A172 PolarHBondContact O-N 3.29Å; A169-A172 PolarHBondContact O-N 3.35Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.33Å; A172-S176 VanDerWaalsContact O-CB 3.32Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 2.9Å; A172-S176 PolarHBondContact O-OG 3.33Å |
| 173 | I | 77.4 | Confident | 66.8 | Low | 106 Ų | 106 | 87.2 Ų | 87.2 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.1 | -68.8 | 162.6 | 0 | 0 | 0 | 110.8 | A169 L170 S176 A177 | A169-I173 WeakPolarHBondContact O-CD1 3.5Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.32Å; A169-I173 PolarHBondContact O-N 2.85Å; L170-I173 PolarHBondContact O-N 3.31Å; I173-S176 WeakPolarHBondContact CA-OG 3.49Å; I173-S176 PolarHBondContact O-N 2.88Å; I173-S176 PolarHBondContact O-OG 3.42Å; I173-A177 WeakPolarHBondContact O-CB 3.46Å; I173-A177 PolarHBondContact O-N 2.94Å |
| 174 | I | 77.3 | Confident | 68.6 | Low | 101 Ų | 101 | 85.1 Ų | 85.1 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -46 | 178.6 | -66.5 | 163.9 | 0 | 0 | 0 | 110.6 | L170 A171 S176 A177 L178 | L170-I174 VanDerWaalsContact O-CG1 3.29Å; L170-I174 WeakPolarHBondContact O-CG1 3.24Å; L170-I174 PolarHBondContact O-N 3.37Å; A171-I174 PolarHBondContact O-N 2.85Å; I174-S176 PolarHBondContact O-N 3.39Å; I174-A177 PolarHBondContact O-N 2.86Å; I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.28Å; I174-L178 VanDerWaalsContact O-CG 3.32Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 2.85Å |
| 175 | C | 66.3 | Low | 70.2 | Confident | 83 Ų | 83 | 87.8 Ų | 87.8 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 177.8 | -74.8 | 0 | 0 | 0 | 0 | 112.7 | A171 A179 | A171-C175 VanDerWaalsContact O-CB 3.26Å; A171-C175 WeakPolarHBondContact O-CB 3.39Å; A171-C175 PolarHBondContact O-N 3.31Å; A171-C175 PolarHBondContact O-SG 2.8Å; C175-A179 VanDerWaalsContact O-CB 3.31Å; C175-A179 WeakPolarHBondContact O-CB 3.27Å; C175-A179 PolarHBondContact O-N 3.39Å |
| 176 | S | 68.4 | Low | 71.3 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | A172 I173 I174 A179 T180 | A172-S176 VanDerWaalsContact O-CB 3.32Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 2.9Å; A172-S176 PolarHBondContact O-OG 3.33Å; I173-S176 WeakPolarHBondContact CA-OG 3.49Å; I173-S176 PolarHBondContact O-N 2.88Å; I173-S176 PolarHBondContact O-OG 3.42Å; I174-S176 PolarHBondContact O-N 3.39Å; S176-A179 PolarHBondContact O-N 3.4Å; S176-T180 WeakPolarHBondContact O-CG2 3.35Å; S176-T180 PolarHBondContact O-N 3.43Å; S176-T180 PolarHBondContact O-OG1 3.31Å |
| 177 | A | 77.6 | Confident | 72.6 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I173 I174 T180 V181 | I173-A177 WeakPolarHBondContact O-CB 3.46Å; I173-A177 PolarHBondContact O-N 2.94Å; I174-A177 PolarHBondContact O-N 2.86Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.49Å; A177-V181 WeakPolarHBondContact O-CG2 3.11Å; A177-V181 PolarHBondContact O-N 3.22Å |
| 178 | L | 77.3 | Confident | 73.9 | Confident | 102 Ų | 102 | 84.6 Ų | 84.6 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 174 | -69.5 | 173.1 | 0 | 0 | 0 | 111.5 | I174 T180 V181 L182 | I174-L178 HydrophobicContact CG2-CD1 3.97Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.28Å; I174-L178 VanDerWaalsContact O-CG 3.32Å; I174-L178 WeakPolarHBondContact O-CG 3.18Å; I174-L178 PolarHBondContact O-N 2.85Å; L178-T180 PolarHBondContact O-N 2.81Å; L178-V181 PolarHBondContact O-N 2.75Å; L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.21Å |
| 179 | A | 73.3 | Confident | 75 | Confident | 57 Ų | 57 | 83 Ų | 83 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C175 S176 L183 | C175-A179 VanDerWaalsContact O-CB 3.31Å; C175-A179 WeakPolarHBondContact O-CB 3.27Å; C175-A179 PolarHBondContact O-N 3.39Å; S176-A179 PolarHBondContact O-N 3.4Å; A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.46Å; A179-L183 PolarHBondContact O-N 2.74Å |
| 180 | T | 79.6 | Confident | 75.9 | Confident | 88 Ų | 88 | 85 Ų | 85 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.5 | -37.3 | 176 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | S176 A177 L178 L183 A184 | S176-T180 WeakPolarHBondContact O-CG2 3.35Å; S176-T180 PolarHBondContact O-N 3.43Å; S176-T180 PolarHBondContact O-OG1 3.31Å; A177-T180 PolarHBondContact O-N 2.87Å; A177-T180 PolarHBondContact O-OG1 3.49Å; L178-T180 PolarHBondContact O-N 2.81Å; T180-L183 PolarHBondContact O-N 2.83Å; T180-A184 VanDerWaalsContact O-CB 3.28Å; T180-A184 WeakPolarHBondContact O-CB 3.27Å; T180-A184 PolarHBondContact O-N 2.83Å |
| 181 | V | 86.6 | Confident | 76.6 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 172.4 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | A177 L178 A184 L185 | A177-V181 WeakPolarHBondContact O-CG2 3.11Å; A177-V181 PolarHBondContact O-N 3.22Å; L178-V181 PolarHBondContact O-N 2.75Å; V181-A184 PolarHBondContact O-N 2.82Å; V181-L185 HydrophobicContact CG1-CD1 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 3.31Å |
| 182 | L | 78.6 | Confident | 77.5 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 176.1 | -71.6 | 171.4 | 0 | 0 | 0 | 111.9 | L178 L185 L186 | L178-L182 WeakPolarHBondContact O-CB 3.48Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.48Å; L178-L182 PolarHBondContact O-N 3.21Å; L182-L185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.88Å |
| 183 | L | 80.7 | Confident | 77.9 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.9 | -177.5 | 62.1 | 0 | 0 | 0 | 111.8 | A179 T180 L186 I187 | A179-L183 VanDerWaalsContact O-CB 3.29Å; A179-L183 WeakPolarHBondContact O-CB 3.46Å; A179-L183 PolarHBondContact O-N 2.74Å; T180-L183 PolarHBondContact O-N 2.83Å; L183-L186 PolarHBondContact O-N 3.37Å; L183-I187 HydrophobicContact CD1-CD1 4.27Å; L183-I187 HydrophobicContact CD1-CG1 4.48Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 WeakPolarHBondContact O-CB 3.32Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.49Å; L183-I187 PolarHBondContact O-N 3.33Å |
| 184 | A | 82.2 | Confident | 77.5 | Confident | 55 Ų | 55 | 91.7 Ų | 91.7 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T180 V181 I187 L188 | T180-A184 VanDerWaalsContact O-CB 3.28Å; T180-A184 WeakPolarHBondContact O-CB 3.27Å; T180-A184 PolarHBondContact O-N 2.83Å; V181-A184 PolarHBondContact O-N 2.82Å; A184-I187 PolarHBondContact O-N 2.74Å; A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.74Å |
| 185 | L | 82.8 | Confident | 77.3 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.1 | -72.2 | 173.1 | 0 | 0 | 0 | 112 | V181 L182 L188 C189 | V181-L185 HydrophobicContact CG1-CD1 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.24Å; V181-L185 PolarHBondContact O-N 3.31Å; L182-L185 PolarHBondContact O-N 2.9Å; L185-L188 PolarHBondContact O-N 3.48Å; L185-C189 VanDerWaalsContact O-CB 3.29Å; L185-C189 WeakPolarHBondContact O-CB 3.25Å; L185-C189 PolarHBondContact O-N 3.5Å; L185-C189 PolarHBondContact O-SG 3.07Å |
| 186 | L | 76.6 | Confident | 77.4 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.8 | -73 | 172.9 | 0 | 0 | 0 | 112.1 | L182 L183 L188 C189 V190 | L182-L186 WeakPolarHBondContact O-CB 3.23Å; L182-L186 WeakPolarHBondContact O-CG 3.31Å; L182-L186 PolarHBondContact O-N 2.88Å; L183-L186 PolarHBondContact O-N 3.37Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L186-C189 PolarHBondContact O-N 2.95Å; L186-V190 WeakPolarHBondContact O-CB 3.13Å; L186-V190 WeakPolarHBondContact O-CG2 3.29Å; L186-V190 PolarHBondContact O-N 2.87Å |
| 187 | I | 80.2 | Confident | 76.8 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.3 | -69.9 | 164.7 | 0 | 0 | 0 | 110.3 | L183 A184 V190 I191 | L183-I187 HydrophobicContact CD1-CD1 4.27Å; L183-I187 HydrophobicContact CD1-CG1 4.48Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 WeakPolarHBondContact O-CB 3.32Å; L183-I187 VanDerWaalsContact O-CG1 3.27Å; L183-I187 WeakPolarHBondContact O-CG1 3.49Å; L183-I187 PolarHBondContact O-N 3.33Å; A184-I187 PolarHBondContact O-N 2.74Å; I187-V190 PolarHBondContact O-N 3.26Å; I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 WeakPolarHBondContact O-CB 3.39Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.45Å |
| 188 | L | 82.3 | Confident | 75.8 | Confident | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 179.3 | -149.8 | 158 | 0 | 0 | 0 | 111 | A184 L185 L186 I191 Y192 | A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.49Å; A184-L188 PolarHBondContact O-N 2.74Å; L185-L188 PolarHBondContact O-N 3.48Å; L186-L188 VanDerWaalsContact C-N 3.35Å; L188-I191 PolarHBondContact O-N 3.44Å; L188-Y192 WeakPolarHBondContact O-CB 3.03Å; L188-Y192 PolarHBondContact O-N 3.42Å |
| 189 | C | 79.6 | Confident | 74.8 | Confident | 72 Ų | 72 | 103.5 Ų | 103.5 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 168.8 | -76.3 | 0 | 0 | 0 | 0 | 112.1 | L185 L186 Y192 C193 | L185-C189 VanDerWaalsContact O-CB 3.29Å; L185-C189 WeakPolarHBondContact O-CB 3.25Å; L185-C189 PolarHBondContact O-N 3.5Å; L185-C189 PolarHBondContact O-SG 3.07Å; L186-C189 PolarHBondContact O-N 2.95Å; C189-Y192 PolarHBondContact O-N 3.32Å; C189-C193 WeakPolarHBondContact O-CB 3.41Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.97Å |
| 190 | V | 78.5 | Confident | 73.7 | Confident | 92 Ų | 92 | 109.2 Ų | 109.2 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -39.6 | 175.6 | 168 | 0 | 0 | 0 | 0 | 111.2 | L186 I187 K194 | L186-V190 WeakPolarHBondContact O-CB 3.13Å; L186-V190 WeakPolarHBondContact O-CG2 3.29Å; L186-V190 PolarHBondContact O-N 2.87Å; I187-V190 PolarHBondContact O-N 3.26Å; V190-K194 VanDerWaalsContact O-CB 3.27Å; V190-K194 WeakPolarHBondContact O-CB 3.09Å; V190-K194 PolarHBondContact O-N 2.82Å |
| 191 | I | 81.8 | Confident | 72.3 | Confident | 103 Ų | 103 | 109.7 Ų | 109.7 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 174.1 | -69 | 167.2 | 0 | 0 | 0 | 110.3 | I187 L188 K194 R195 | I187-I191 HydrophobicContact CG2-CD1 3.73Å; I187-I191 HydrophobicContact CG2-CG1 4.41Å; I187-I191 WeakPolarHBondContact O-CB 3.39Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.47Å; I187-I191 PolarHBondContact O-N 3.45Å; L188-I191 PolarHBondContact O-N 3.44Å; I191-K194 PolarHBondContact O-N 3.4Å; I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 PolarHBondContact O-N 2.77Å |
| 192 | Y | 77.4 | Confident | 70.6 | Confident | 135 Ų | 135 | 110.7 Ų | 110.7 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -43.2 | 178.4 | -176.7 | -101 | 0 | 0 | 0 | 111.7 | L188 C189 R195 Q196 | L188-Y192 WeakPolarHBondContact O-CB 3.03Å; L188-Y192 PolarHBondContact O-N 3.42Å; C189-Y192 PolarHBondContact O-N 3.32Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 3.09Å; Y192-Q196 HydrophobicContact CD1-CG 4.26Å; Y192-Q196 HydrophobicContact CE1-CG 3.89Å; Y192-Q196 HydrophobicContact CE2-CG 4.5Å; Y192-Q196 WeakPolarHBondContact O-CB 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.39Å; Y192-Q196 PolarHBondContact O-N 2.68Å; Y192-Q196 PolarHBondContact OH-NE2 3.5Å |
| 193 | C | 71 | Confident | 69 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 172.9 | -72 | 0 | 0 | 0 | 0 | 111.2 | C189 R195 F197 | C189-C193 WeakPolarHBondContact O-CB 3.41Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.97Å; C193-R195 VanDerWaalsContact C-N 3.3Å; C193-R195 PolarHBondContact O-N 2.73Å; C193-F197 WeakPolarHBondContact O-CB 3.44Å; C193-F197 PolarHBondContact O-N 2.87Å |
| 194 | K | 69.6 | Low | 67.1 | Low | 139 Ų | 139 | 118 Ų | 118 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.1 | -38.7 | 171.5 | -88.4 | -153.5 | 174.3 | -177 | 0 | 111.8 | V190 I191 F197 M198 | V190-K194 VanDerWaalsContact O-CB 3.27Å; V190-K194 WeakPolarHBondContact O-CB 3.09Å; V190-K194 PolarHBondContact O-N 2.82Å; I191-K194 PolarHBondContact O-N 3.4Å; K194-F197 CarbonylContact O-C 3.59Å; K194-F197 PolarHBondContact O-N 3.27Å; K194-M198 VanDerWaalsContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CG 3.27Å; K194-M198 PolarHBondContact O-N 3.47Å |
| 195 | R | 73.2 | Confident | 65.1 | Low | 158 Ų | 158 | 120.1 Ų | 120.1 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.7 | -52.4 | 179.5 | -172.5 | 169.4 | 177.3 | 174.4 | -0.1 | 110.5 | I191 Y192 C193 F197 M198 E199 | I191-R195 WeakPolarHBondContact O-CB 3.36Å; I191-R195 PolarHBondContact O-N 2.77Å; Y192-R195 CarbonylContact O-C 3.59Å; Y192-R195 PolarHBondContact O-N 3.09Å; C193-R195 VanDerWaalsContact C-N 3.3Å; C193-R195 PolarHBondContact O-N 2.73Å; R195-F197 PolarHBondContact O-N 2.74Å; R195-M198 CarbonylContact O-C 3.5Å; R195-M198 PolarHBondContact O-N 2.94Å; R195-E199 WeakPolarHBondContact CG-OE2 3.34Å; R195-E199 IonicContact CZ-OE2 3.9Å; R195-E199 IonicContact NE-OE2 2.71Å; R195-E199 PolarHBondContact NE-OE2 3.21Å; R195-E199 IonicContact NH2-OE2 2.71Å; R195-E199 VanDerWaalsContact O-CB 3.3Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 PolarHBondContact O-N 3.21Å |
| 196 | Q | 67.8 | Low | 63 | Low | 101 Ų | 101 | 123 Ų | 123 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -51.8 | -41.7 | 169.8 | -76.9 | -159 | -7.6 | 0 | 0 | 112.2 | Y192 M198 K200 | Y192-Q196 HydrophobicContact CD1-CG 4.26Å; Y192-Q196 HydrophobicContact CE1-CG 3.89Å; Y192-Q196 HydrophobicContact CE2-CG 4.5Å; Y192-Q196 WeakPolarHBondContact O-CB 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.39Å; Y192-Q196 PolarHBondContact O-N 2.68Å; Y192-Q196 PolarHBondContact OH-NE2 3.5Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; Q196-M198 PolarHBondContact O-N 3.05Å; Q196-K200 VanDerWaalsContact O-CB 3.25Å; Q196-K200 WeakPolarHBondContact O-CB 3.22Å; Q196-K200 PolarHBondContact O-N 3.45Å |
| 197 | F | 56.4 | Low | 60.9 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.8 | 3.7 | 179 | -166.5 | -119.2 | 0 | 0 | 0 | 114.3 | C193 K194 R195 K201 | C193-F197 WeakPolarHBondContact O-CB 3.44Å; C193-F197 PolarHBondContact O-N 2.87Å; K194-F197 CarbonylContact O-C 3.59Å; K194-F197 PolarHBondContact O-N 3.27Å; R195-F197 PolarHBondContact O-N 2.74Å; F197-K201 VanDerWaalsContact CE1-CE 3.47Å; F197-K201 WeakPolarHBondContact O-CD 3.33Å; F197-K201 WeakPolarHBondContact O-CE 3.49Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-NZ 2.92Å |
| 198 | M | 55.7 | Low | 58.8 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 60% | 0.596 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -119.3 | -36.2 | 172.1 | -69.4 | -67 | -169.4 | 0 | 0 | 111.4 | K194 R195 Q196 K201 | K194-M198 VanDerWaalsContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CB 3.31Å; K194-M198 WeakPolarHBondContact O-CG 3.27Å; K194-M198 PolarHBondContact O-N 3.47Å; R195-M198 CarbonylContact O-C 3.5Å; R195-M198 PolarHBondContact O-N 2.94Å; Q196-M198 VanDerWaalsContact C-N 3.27Å; Q196-M198 PolarHBondContact O-N 3.05Å; M198-K201 HydrophobicContact SD-CD 3.91Å; M198-K201 PolarHBondContact SD-NZ 3.44Å |
| 199 | E | 57 | Low | 56.6 | Low | 140 Ų | 140 | 133.4 Ų | 133.4 | 65% | 0.654 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.9 | -21.7 | 167.8 | -126.7 | 162.4 | 116.2 | 0 | 0 | 111.3 | R195 | R195-E199 WeakPolarHBondContact CG-OE2 3.34Å; R195-E199 IonicContact CZ-OE2 3.9Å; R195-E199 IonicContact NE-OE2 2.71Å; R195-E199 PolarHBondContact NE-OE2 3.21Å; R195-E199 IonicContact NH2-OE2 2.71Å; R195-E199 VanDerWaalsContact O-CB 3.3Å; R195-E199 WeakPolarHBondContact O-CB 3.33Å; R195-E199 PolarHBondContact O-N 3.21Å |
| 200 | K | 51 | Low | 54.3 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -114.5 | 87 | 161.2 | -60 | -168.1 | 176.5 | -173 | 0 | 111.4 | Q196 | Q196-K200 VanDerWaalsContact O-CB 3.25Å; Q196-K200 WeakPolarHBondContact O-CB 3.22Å; Q196-K200 PolarHBondContact O-N 3.45Å |
| 201 | K | 49.8 | Very low | 52.1 | Low | 98 Ų | 98 | 141 Ų | 141 | 43% | 0.426 | 69% | 0.688 | S | S | . | * | trans | -149.1 | 145.3 | 165.3 | -103.5 | 177.1 | -173.1 | 135.5 | 0 | 112.1 | F197 M198 | F197-K201 VanDerWaalsContact CE1-CE 3.47Å; F197-K201 WeakPolarHBondContact O-CD 3.33Å; F197-K201 WeakPolarHBondContact O-CE 3.49Å; F197-K201 WeakPolarHBondContact O-CG 3.04Å; F197-K201 PolarHBondContact O-NZ 2.92Å; M198-K201 HydrophobicContact SD-CD 3.91Å; M198-K201 PolarHBondContact SD-NZ 3.44Å | ||
| 202 | P | 50.4 | Low | 49.7 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | cis | -126.2 | 116.7 | -17.6 | 34.2 | -16.6 | 0 | 0 | 0 | 112.1 | ||||
| 203 | S | 45.8 | Very low | 47.4 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 88% | 0.881 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -113.2 | 36.9 | 177 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 204 | W | 39.7 | Very low | 45.7 | Very low | 238 Ų | 238 | 153 Ų | 153 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -155.1 | -0.8 | 160 | 74.5 | -80.8 | 0 | 0 | 0 | 116.7 | L206 | W204-L206 PolarHBondContact O-N 2.77Š|
| 205 | S | 40.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -87.3 | 3.8 | -176.1 | -165.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 206 | L | 38.8 | Very low | 42.2 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -139.1 | 57.5 | 177.7 | -152.3 | 87.5 | 0 | 0 | 0 | 113 | W204 | W204-L206 PolarHBondContact O-N 2.77Š|
| 207 | R | 33.7 | Very low | 40.7 | Very low | 248 Ų | 248 | 149.6 Ų | 149.6 | 94% | 0.936 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -136.5 | 27.9 | 155.7 | -141.7 | -174.6 | -166.9 | -169.3 | 4.8 | 113.6 | ||
| 208 | S | 35.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -148.8 | 65.6 | 165.6 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 209 | Q | 34.4 | Very low | 38.6 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 177.8 | 85.9 | 141.7 | -98.5 | 167.2 | 14.8 | 0 | 0 | 109.1 | ||||
| 210 | D | 31.5 | Very low | 37.7 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 83.3 | 145.1 | -144 | -14.5 | 0 | 0 | 0 | 107.4 | ||||
| 211 | I | 33.9 | Very low | 37 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -163.4 | 73.5 | 146.1 | -86.7 | 150.8 | 0 | 0 | 0 | 104.4 | ||
| 212 | Q | 30.6 | Very low | 36.1 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | 27.9 | 103.4 | 143 | -163.9 | 169.8 | 5.8 | 0 | 0 | 119.8 | ||||
| 213 | Y | 29.9 | Very low | 35.2 | Very low | 232 Ų | 232 | 159.1 Ų | 159.1 | 91% | 0.91 | 82% | 0.817 | S | S | * | * | trans | -148.4 | 135.3 | 133.4 | -141.8 | -94.1 | 0 | 0 | 0 | 110.1 | ||||
| 214 | N | 34.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -137.7 | 137.4 | -170.9 | -176.4 | 27 | 0 | 0 | 0 | 111.4 | ||||
| 215 | G | 35.1 | Very low | 35.2 | Very low | 50 Ų | 50 | 154 Ų | 154 | 52% | 0.515 | 80% | 0.798 | S | S | . | * | trans | 77.2 | 144.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 216 | S | 32.9 | Very low | 34.7 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | cis | -165.3 | 148.4 | 2.4 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 217 | E | 36.3 | Very low | 34.1 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | 66.7 | 119.2 | 149.2 | -56 | -81 | 106.6 | 0 | 0 | 121.7 | ||||
| 218 | L | 41 | Very low | 33.8 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | 32.5 | 119.3 | 134.3 | -63.7 | 162.5 | 0 | 0 | 0 | 121.3 | ||||
| 219 | S | 27.6 | Very low | 33.5 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | -174.4 | 161.5 | 124.7 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 220 | C | 38 | Very low | 33.3 | Very low | 109 Ų | 109 | 149 Ų | 149 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -81.4 | 168.1 | -179 | -51.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 221 | F | 37.7 | Very low | 33.3 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | 36 | 117.7 | 159.9 | -62 | -76.8 | 0 | 0 | 0 | 118.6 | ||||
| 222 | D | 29.4 | Very low | 33.3 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | -172.8 | -179.9 | 96.4 | -141.2 | -28.6 | 0 | 0 | 0 | 112.4 | |||||
| 223 | R | 31.3 | Very low | 33.3 | Very low | 220 Ų | 220 | 150.1 Ų | 150.1 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -92.1 | -154.6 | 178.2 | -149.9 | -166.9 | 171.8 | 151.7 | -1.7 | 109.9 | ||||
| 224 | P | 56.8 | Low | 33.3 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | -98 | -173.5 | -87.5 | 24.8 | -3.9 | 0 | 0 | 0 | 114.6 | |||||
| 225 | Q | 30.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 127.4 | 142.1 | 127.4 | -97 | -171 | -11 | 0 | 0 | 119.4 | |||||
| 226 | L | 28.1 | Very low | 33.1 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 60.8 | 114.5 | 148.1 | -64.4 | 164.1 | 0 | 0 | 0 | 118.6 | ||||
| 227 | H | 26 | Very low | 32.9 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 59% | 0.593 | 77% | 0.772 | S | S | * | * | 82 | 104 | 61.1 | 178.7 | 98.7 | 0 | 0 | 0 | 114.2 | |||||
| 228 | Q | 29.1 | Very low | 32.5 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -174.8 | 131 | 121.4 | -119.8 | 139.4 | 37.6 | 0 | 0 | 114.9 | |||||
| 229 | Y | 29.7 | Very low | 31.8 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | 50.8 | 146.5 | 133.2 | -78.9 | -118.1 | 0 | 0 | 0 | 121.9 | ||||
| 230 | A | 30.1 | Very low | 31.8 | Very low | 68 Ų | 68 | 157.8 Ų | 157.8 | 56% | 0.562 | 78% | 0.782 | S | S | * | * | cis | -172.2 | -173.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 231 | H | 30.9 | Very low | 31.5 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | 86.6 | 99 | 176.2 | -60.6 | -83.1 | 0 | 0 | 0 | 115.5 | ||||
| 232 | R | 33.8 | Very low | 31.1 | Very low | 239 Ų | 239 | 152.6 Ų | 152.6 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | cis | 101.4 | 101.1 | 18.5 | -152 | -163.5 | -146.6 | -165 | 11.8 | 115.9 | ||||
| 233 | A | 31.5 | Very low | 31.3 | Very low | 100 Ų | 100 | 153.2 Ų | 153.2 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -165.2 | 152 | 141.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 234 | C | 29.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | -146.6 | 165.1 | -9.1 | -174.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 235 | C | 34.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -144 | 175.2 | 10.3 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 236 | Q | 31.6 | Very low | 30.6 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 159.6 | 175.9 | -69.4 | 158.3 | -28.6 | 0 | 0 | 111 | ||||
| 237 | C | 29 | Very low | 31.7 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | -151.1 | 132.5 | 52.7 | -74.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 238 | R | 27.3 | Very low | 32 | Very low | 240 Ų | 240 | 147.1 Ų | 147.1 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | 76.3 | 95.8 | 75.3 | -167.5 | -170.8 | -177.3 | -171.2 | 1.7 | 115.4 | |||||
| 239 | R | 26.8 | Very low | 32.5 | Very low | 244 Ų | 244 | 147.4 Ų | 147.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 129.2 | 131.8 | -130.5 | -177.8 | -164.5 | 118 | 0.2 | 110 | ||||
| 240 | D | 27.9 | Very low | 32.7 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -112.9 | 158.2 | 171.7 | -88.3 | -55.6 | 0 | 0 | 0 | 110 | ||||
| 241 | S | 30.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | 57.3 | 136.2 | 166.6 | 62.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 242 | A | 30.1 | Very low | 33 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 65% | 0.653 | 82% | 0.82 | S | S | * | * | cis | -161.8 | 149.4 | 39.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 243 | Q | 33 | Very low | 32.8 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 48.9 | 153.8 | 137.3 | -76.8 | 162.7 | -32.2 | 0 | 0 | 124.5 | ||||
| 244 | T | 30.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | 76 | 100.5 | 151.6 | 35.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 245 | C | 37.2 | Very low | 32.5 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | 43.5 | 115.1 | 118.9 | -149.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 246 | G | 34.7 | Very low | 32.3 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 166.9 | 133.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 247 | P | 52 | Low | 32.2 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -96.5 | 138.6 | -172.8 | 35.7 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 248 | V | 32.5 | Very low | 32.3 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | trans | -141.9 | 136.4 | 159.1 | -175.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 249 | H | 38.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -73 | 147.3 | -179.1 | -67.6 | -116 | 0 | 0 | 0 | 113.4 | ||||
| 250 | L | 33.8 | Very low | 32.6 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | trans | -142.1 | 147 | 134.8 | -77.2 | -174.9 | 0 | 0 | 0 | 109.5 | ||||
| 251 | L | 32.2 | Very low | 32.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 154.1 | -168.8 | -107 | 67 | 0 | 0 | 0 | 113.8 | ||
| 252 | P | 35.7 | Very low | 33.1 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 158.2 | -172.6 | -0.9 | 21.7 | 0 | 0 | 0 | 114 | L254 | P252-L254 PolarHBondContact O-N 3.18Š|
| 253 | S | 29.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126 | 160 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 254 | L | 29.9 | Very low | 32.8 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 122.3 | 175 | -93.7 | 126.8 | 0 | 0 | 0 | 112 | P252 | P252-L254 PolarHBondContact O-N 3.18Š|
| 255 | C | 25.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | -112.6 | 153.2 | 156.1 | -83.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 256 | C | 29.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 73.2 | 102.7 | 161.7 | -58.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 257 | D | 30.1 | Very low | 32 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | 50.5 | 141 | 105.9 | -157.5 | 26.2 | 0 | 0 | 0 | 121.4 | |||||
| 258 | K | 30.1 | Very low | 30.8 | Very low | 169 Ų | 169 | 133 Ų | 133 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | 73.9 | 111.2 | 163.3 | -86.9 | 160.8 | -173.2 | 143.1 | 0 | 122.6 | ||||
| 259 | A | 30.9 | Very low | 30.6 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | 65.9 | 103.6 | 124.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 260 | C | 29.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | 176.1 | 144.8 | 103.1 | -93.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 261 | S | 26.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -78.2 | -179.8 | 164.3 | -38.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 262 | P | 43.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -136.6 | -177.5 | -5 | 38.3 | -18.7 | 0 | 0 | 0 | 115.4 | ||||
| 263 | D | 29.7 | Very low | 29.7 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 92.7 | 139.1 | 138.3 | -137.3 | 4.2 | 0 | 0 | 0 | 122.9 | ||||
| 264 | R | 28 | Very low | 29.7 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 56.3 | 121.9 | 155.1 | -90.8 | 166.1 | -179.5 | -159.7 | -1.1 | 124.7 | ||||
| 265 | A | 28.3 | Very low | 29.8 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | 75.2 | 148.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 266 | T | 27.5 | Very low | 30 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -167.5 | 171.2 | -9.8 | 17.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 267 | V | 30 | Very low | 29.9 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | 73.9 | 134.7 | 168.1 | -163.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 268 | G | 26 | Very low | 29.9 | Very low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | cis | 152.9 | 156.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 269 | C | 29.3 | Very low | 29.7 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 97% | 0.973 | 80% | 0.795 | S | S | * | * | trans | 67.8 | 137.4 | -175.8 | -53.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 270 | G | 29.1 | Very low | 29.7 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | 150.8 | 133.5 | 8.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 271 | V | 33.6 | Very low | 29.6 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | -158.3 | 158.5 | 73 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 272 | H | 27.1 | Very low | 29.8 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -93.5 | 154.4 | -169 | -63.5 | -99.1 | 0 | 0 | 0 | 116.5 | ||||
| 273 | S | 29.9 | Very low | 29 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | -170.4 | 109.7 | 129.9 | -75 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 274 | A | 31 | Very low | 29.6 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 62.4 | 126.5 | 78 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 275 | A | 31.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | cis | -161.4 | -170.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 276 | S | 30.2 | Very low | 29.8 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 74.4 | 113.1 | -177 | 76.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 277 | L | 26.3 | Very low | 30.1 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | cis | 96.1 | 69.6 | 14.2 | -145.8 | 174.1 | 0 | 0 | 0 | 116 | ||||
| 278 | Q | 30.1 | Very low | 30.2 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -167 | 145.8 | 141.8 | -111.4 | -179.3 | -8.5 | 0 | 0 | 108.8 | ||||
| 279 | A | 27.2 | Very low | 30.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | cis | -179.7 | 119.9 | -33.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 280 | R | 30.1 | Very low | 31.3 | Very low | 232 Ų | 232 | 130.7 Ų | 130.7 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | 63 | 119.3 | 171.4 | -63.8 | -178.9 | 174.8 | 174.8 | -1.9 | 117.1 | ||||
| 281 | N | 28.5 | Very low | 31.5 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | 71.8 | 101.3 | 56.5 | -62.5 | -14.4 | 0 | 0 | 0 | 114.2 | |||||
| 282 | A | 30.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -177 | 112.9 | 118.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 283 | G | 26.1 | Very low | 31.5 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -88.6 | -166.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 284 | P | 42.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -139.6 | -179.8 | 16.2 | 42.5 | -25.1 | 0 | 0 | 0 | 115.9 | ||||
| 285 | A | 32.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 47.3 | 146.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 286 | G | 28.8 | Very low | 31.1 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | cis | -130 | -162.1 | -11.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 287 | E | 32.2 | Very low | 31.1 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | cis | -146.3 | -168.6 | 25.7 | -69.8 | -172.6 | 133.4 | 0 | 0 | 112.4 | ||||
| 288 | M | 33.7 | Very low | 31.5 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -90.9 | 150.8 | -156.1 | -163.1 | 164.8 | -178.6 | 0 | 0 | 114.6 | ||||
| 289 | V | 38.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | -68 | 164.6 | 173.3 | -153.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 290 | P | 38.9 | Very low | 31.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -132.9 | 145.4 | 110.2 | 37.4 | -30.4 | 0 | 0 | 0 | 114.9 | |||||
| 291 | T | 33.2 | Very low | 31.5 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | trans | -82 | 163.3 | 180 | -40.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 292 | F | 28.8 | Very low | 31.6 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 76.5 | 112.3 | 170.6 | -64 | -85.3 | 0 | 0 | 0 | 118 | ||||
| 293 | F | 32.4 | Very low | 31.9 | Very low | 218 Ų | 218 | 133.1 Ų | 133.1 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | -133.6 | 142.5 | 121.1 | -101.6 | -80.5 | 0 | 0 | 0 | 109.7 | |||||
| 294 | G | 28.8 | Very low | 32.1 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 153.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L296 | G294-L296 PolarHBondContact O-N 3.04Å; G294-L296 VanDerWaalsContact O-N 3.16Å | ||
| 295 | S | 27.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -57.7 | 112.3 | 175.1 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | T297 | S295-T297 PolarHBondContact O-N 3.27Š| ||
| 296 | L | 28.6 | Very low | 32 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 83.2 | 172.9 | -156.4 | 81.8 | 0 | 0 | 0 | 110.3 | G294 R298 | G294-L296 PolarHBondContact O-N 3.04Å; G294-L296 VanDerWaalsContact O-N 3.16Å; L296-R298 PolarHBondContact O-N 3.23Å | ||
| 297 | T | 30.2 | Very low | 32.6 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 92.5 | 176.4 | -44.8 | 0 | 0 | 0 | 0 | 110.5 | S295 S299 | S295-T297 PolarHBondContact O-N 3.27Å; T297-S299 PolarHBondContact O-N 3.16Å | ||
| 298 | R | 33.2 | Very low | 32.8 | Very low | 213 Ų | 213 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -86.4 | 91.7 | 169.1 | -99.3 | -175 | 175.4 | 169.6 | -0.1 | 110.9 | L296 | L296-R298 PolarHBondContact O-N 3.23Š| ||
| 299 | S | 28.3 | Very low | 33 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -74.8 | 119.7 | 157.9 | 170 | 0 | 0 | 0 | 0 | 109.5 | T297 | T297-S299 PolarHBondContact O-N 3.16Š| ||
| 300 | I | 29.8 | Very low | 32.8 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -141.3 | 110.2 | 157.9 | -61.4 | -174.8 | 0 | 0 | 0 | 108.4 | ||||
| 301 | C | 29.4 | Very low | 32.4 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 86% | 0.858 | 79% | 0.792 | S | S | * | * | trans | -82.2 | 148.3 | 153.3 | -69.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 302 | G | 31.3 | Very low | 32.5 | Very low | 52 Ų | 52 | 148.7 Ų | 148.7 | 54% | 0.536 | 80% | 0.803 | S | S | . | * | trans | 170.9 | 53.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | F304 | G302-F304 VanDerWaalsContact O-CD2 3.31Å; G302-F304 WeakPolarHBondContact O-CD2 3.47Å; G302-F304 WeakPolarHBondContact O-CE2 3.14Å | ||
| 303 | E | 36.2 | Very low | 32.8 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 5 | 115 | 142.9 | -168.4 | 166.6 | -129 | 0 | 0 | 117.9 | ||||
| 304 | F | 29.5 | Very low | 33.1 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -135 | 149.6 | 157.6 | -72.7 | -72.2 | 0 | 0 | 0 | 111 | G302 | G302-F304 VanDerWaalsContact O-CD2 3.31Å; G302-F304 WeakPolarHBondContact O-CD2 3.47Å; G302-F304 WeakPolarHBondContact O-CE2 3.14Å | ||
| 305 | S | 35.7 | Very low | 33.4 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 117.2 | -170.6 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 306 | D | 38 | Very low | 33.5 | Very low | 143 Ų | 143 | 146 Ų | 146 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 117.9 | 180 | -69.1 | -38.5 | 0 | 0 | 0 | 112.8 | ||
| 307 | A | 39.9 | Very low | 33.7 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 120.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 308 | W | 37.3 | Very low | 33.9 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 91% | 0.905 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.3 | -177.2 | -71.6 | 83.1 | 0 | 0 | 0 | 113.2 | ||
| 309 | P | 37.8 | Very low | 34.3 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 143.9 | 151.9 | 27.3 | -15.5 | 0 | 0 | 0 | 111.2 | ||
| 310 | L | 34.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 148.2 | -171.2 | -66.1 | 162.9 | 0 | 0 | 0 | 113.5 | ||
| 311 | M | 30.4 | Very low | 34.8 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 134.7 | 168.8 | -82.8 | 155.7 | 47.4 | 0 | 0 | 112.2 | ||
| 312 | Q | 35.3 | Very low | 34.7 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -111.3 | 125.2 | 158.5 | -68.4 | -176.2 | 9.7 | 0 | 0 | 108.8 | ||||
| 313 | N | 36.1 | Very low | 34.6 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -83.1 | 136.3 | 173.9 | -67.9 | -49 | 0 | 0 | 0 | 109.8 | ||||
| 314 | P | 37.3 | Very low | 34.3 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 126.2 | 173.9 | 33.4 | -30.4 | 0 | 0 | 0 | 110.6 | ||||
| 315 | M | 35.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -146.2 | 127.1 | 158.9 | -158.3 | 110.5 | -54.8 | 0 | 0 | 108.8 | ||||
| 316 | G | 30.7 | Very low | 34.3 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 151.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 317 | G | 31.2 | Very low | 34.5 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | 112.5 | 125.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 318 | D | 34.9 | Very low | 34.2 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | cis | -144.3 | 168.7 | 9.3 | -75.1 | -45.2 | 0 | 0 | 0 | 113.3 | ||||
| 319 | N | 40.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 128.1 | -171.6 | -60.5 | -59.8 | 0 | 0 | 0 | 114.7 | ||||
| 320 | I | 36.2 | Very low | 33.9 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -154.3 | 102.6 | 147.9 | -39.2 | 173.8 | 0 | 0 | 0 | 106.8 | ||||
| 321 | S | 32.8 | Very low | 33.9 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | 77.3 | 81.7 | 65.7 | -169.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 322 | F | 28.1 | Very low | 33.9 | Very low | 191 Ų | 191 | 138 Ų | 138 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | 170.9 | 144.7 | 113.1 | -106.9 | -77.2 | 0 | 0 | 0 | 115.6 | |||||
| 323 | C | 29.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 135 Ų | 135 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | 14 | 134.5 | 158.7 | -76.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 324 | D | 28.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 47.9 | 112.4 | 127.2 | -54.6 | -50.6 | 0 | 0 | 0 | 120.9 | |||||
| 325 | S | 29.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | 169.1 | 133.3 | 103.4 | -70.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 326 | Y | 36.5 | Very low | 33.3 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -66.5 | 145.8 | 155 | -102.9 | -107.6 | 0 | 0 | 0 | 108.6 | ||||
| 327 | P | 40.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -135.3 | 135.6 | 111.4 | 34.7 | -24.4 | 0 | 0 | 0 | 112.9 | |||||
| 328 | E | 33.9 | Very low | 33.1 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | -87.8 | 146.7 | 161.8 | -120 | 177.9 | 144 | 0 | 0 | 109.3 | ||||
| 329 | L | 39.2 | Very low | 33.6 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 76.6 | 117.3 | 164.2 | -56.1 | 167.9 | 0 | 0 | 0 | 119.7 | ||||
| 330 | T | 30.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -178.8 | 136.3 | 148.4 | 15.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 331 | G | 33.8 | Very low | 32.8 | Very low | 56 Ų | 56 | 136.5 Ų | 136.5 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | cis | -139.3 | 164.2 | -11.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 332 | E | 31.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 79.7 | 132.7 | 86 | -70.3 | 172.4 | 130.1 | 0 | 0 | 112.1 | |||||
| 333 | D | 30.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | cis | -153.2 | 139.5 | 13 | -104.6 | -33.9 | 0 | 0 | 0 | 117.3 | ||||
| 334 | I | 36.8 | Very low | 33 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | 21 | 133.2 | 125.2 | -62.1 | -175.6 | 0 | 0 | 0 | 122.5 | |||||
| 335 | L | 30.4 | Very low | 33 | Very low | 163 Ų | 163 | 134 Ų | 134 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 81.9 | 143.6 | 151.8 | -81.6 | 166.3 | 0 | 0 | 0 | 123.4 | ||||
| 336 | S | 33.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 140.4 | -179.9 | -39.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 337 | L | 29 | Very low | 32.7 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -176.8 | 150 | 130 | -97.6 | 160.9 | 0 | 0 | 0 | 110.3 | ||||
| 338 | S | 28.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -86.2 | 171.7 | 165.2 | -134.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 339 | P | 44.4 | Very low | 31.9 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -147.7 | -168.5 | 11.9 | 39 | -15 | 0 | 0 | 0 | 116.9 | ||||
| 340 | E | 31.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 77.6 | 141.2 | 151.9 | -59.8 | -159 | 120.7 | 0 | 0 | 125.1 | ||||
| 341 | H | 29.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | 74.4 | 105.6 | 149.3 | -97.4 | -79.3 | 0 | 0 | 0 | 123.8 | ||||
| 342 | D | 30.6 | Very low | 31.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | 56 | 126.6 | 125.4 | -72.2 | -4.6 | 0 | 0 | 0 | 125.1 | |||||
| 343 | S | 31.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | 87.7 | 94 | 126.7 | 72.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 344 | S | 31.4 | Very low | 32.3 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | 80.8 | 142.1 | 111.9 | 78.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 345 | T | 28.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 73.4 | 152.2 | 161.6 | 80.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 346 | S | 29.2 | Very low | 32.6 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -152.3 | 148.7 | 12.9 | 54 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 347 | L | 32.8 | Very low | 32.5 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 37.1 | 125.8 | 139.6 | -70.1 | 153.7 | 0 | 0 | 0 | 122.4 | ||||
| 348 | A | 28.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -106.2 | 151.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 349 | S | 29.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -119.6 | 130.5 | -174.7 | -74.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 350 | N | 31.9 | Very low | 32 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 30.6 | 128.4 | 138.7 | -69 | -8.6 | 0 | 0 | 0 | 120.7 | ||||
| 351 | S | 32.1 | Very low | 32.6 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 69.4 | 127.4 | 66.1 | -168.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 352 | S | 36.6 | Very low | 32.5 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | -166.2 | 147.2 | 53.5 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 353 | Q | 41.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | 65.2 | 139.3 | 106.1 | -56.7 | -177.5 | -19.6 | 0 | 0 | 116.3 | |||||
| 354 | D | 30.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | -150.5 | -170.8 | 58.1 | -74.7 | -39.8 | 0 | 0 | 0 | 113.4 | |||||
| 355 | L | 40.8 | Very low | 32.4 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | -168 | -179.9 | -68.4 | -125.2 | 174.9 | 0 | 0 | 0 | 109.7 | |||||
| 356 | V | 32.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | 83.2 | 124.8 | 176.9 | -169.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 357 | G | 32.4 | Very low | 32.7 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 162.2 | 140.9 | -10.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 358 | G | 29.1 | Very low | 32.7 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 138.2 | 120.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 359 | A | 29.1 | Very low | 32.7 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | trans | 96.4 | 135.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 360 | V | 33.3 | Very low | 32.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 161.8 | -168.2 | -150.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 361 | P | 42.8 | Very low | 32.7 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -155.2 | 177.8 | 33.3 | 43.8 | -20.3 | 0 | 0 | 0 | 121.8 | ||||
| 362 | I | 28 | Very low | 32.5 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 122.6 | 160.8 | -44.9 | -169.6 | 0 | 0 | 0 | 118.2 | ||||
| 363 | Q | 27.1 | Very low | 32.2 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -133.3 | 134.3 | 179 | 176.5 | 174.8 | 10.9 | 0 | 0 | 111.8 | ||||
| 364 | A | 30.7 | Very low | 31.6 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 63% | 0.628 | 78% | 0.783 | S | S | * | * | trans | 38.3 | 138.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 365 | H | 34 | Very low | 31.6 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | 25.3 | 145.5 | 129.6 | -74.6 | -98.3 | 0 | 0 | 0 | 122.9 | E367 | H365-E367 IonicContact ND1-OE1 2.69Š| |||
| 366 | S | 27.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 126 Ų | 126 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -149.9 | 157.4 | 146.3 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 367 | E | 35.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 173 | -174.7 | -38.4 | -172.5 | 173.3 | 0 | 0 | 109.1 | H365 | H365-E367 IonicContact ND1-OE1 2.69Š| ||
| 368 | N | 32.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 56% | 0.556 | 78% | 0.781 | S | S | * | * | cis | -156.3 | 175.9 | 2 | -147 | -41.1 | 0 | 0 | 0 | 110.6 | ||||
| 369 | F | 30.1 | Very low | 30.6 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | 55.3 | 124.3 | 155.9 | -66.7 | -58.9 | 0 | 0 | 0 | 122.1 | ||||
| 370 | T | 27.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 95% | 0.945 | 78% | 0.776 | S | S | * | * | -151.7 | 160.5 | 111.4 | -5.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 371 | A | 31.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 155.8 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 372 | A | 28.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -163 | 160.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 373 | A | 30.9 | Very low | 29.7 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 374 | D | 27.4 | Very low | 29.8 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | cis | -162.1 | 174.7 | 37.1 | -129.1 | -41.3 | 0 | 0 | 0 | 114 | ||||
| 375 | L | 31.4 | Very low | 30.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | -96.1 | 169.8 | -173.1 | -145.6 | 98 | 0 | 0 | 0 | 114.1 | ||||
| 376 | S | 27.1 | Very low | 30 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 101.8 | 178.9 | 146 | 87.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 377 | R | 30.4 | Very low | 30 | Very low | 223 Ų | 223 | 131.7 Ų | 131.7 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -151.6 | 145.2 | -137.1 | 159.7 | -169 | -74 | -170.9 | -1.6 | 110.6 | ||||
| 378 | C | 26.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | trans | 66 | 130.1 | 166.5 | -71.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 379 | N | 28.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | -160.9 | 161.8 | 104.3 | -102.5 | -24 | 0 | 0 | 0 | 113.5 | |||||
| 380 | N | 28.9 | Very low | 29.6 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -82.2 | 166 | -175.3 | -50.5 | -45.8 | 0 | 0 | 0 | 112.3 | ||||
| 381 | T | 28.5 | Very low | 29.7 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 163.2 | 120.9 | 114.3 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 382 | L | 28.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 43.5 | 118.7 | 145.1 | -164.5 | 70.8 | 0 | 0 | 0 | 122.4 | ||||
| 383 | A | 28 | Very low | 30.4 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -163.5 | 135.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 384 | E | 30 | Very low | 30.4 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | -85.6 | 169.2 | 170.2 | -141.8 | -153.6 | 112.5 | 0 | 0 | 110 | A386 | E384-A386 PolarHBondContact OE1-N 3.15Š| ||
| 385 | P | 40.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | -152.7 | 163.2 | 71.6 | 40.1 | -20.1 | 0 | 0 | 0 | 118.6 | |||||
| 386 | A | 28.2 | Very low | 30.3 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 63% | 0.628 | 76% | 0.758 | S | S | * | * | trans | 64.1 | 120.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | E384 | E384-A386 PolarHBondContact OE1-N 3.15Š| ||
| 387 | S | 27 | Very low | 30.5 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | 95.2 | 100.1 | 48.5 | 174.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 388 | T | 28.8 | Very low | 30.5 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -172.8 | 124.3 | 131.2 | 30.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 389 | Q | 33 | Very low | 30.6 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 53.7 | 124.2 | 78.2 | -76 | -176.5 | -20.9 | 0 | 0 | 111.8 | |||||
| 390 | D | 28.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | -149.4 | 168.6 | 23 | -88.5 | -44.7 | 0 | 0 | 0 | 114.7 | ||||
| 391 | A | 29.6 | Very low | 30.8 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | -113 | -175.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 392 | P | 46.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | cis | -151.2 | -173.4 | 8.9 | 49.6 | -29.9 | 0 | 0 | 0 | 117.1 | ||||
| 393 | T | 28.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | 49.8 | 132.7 | 147.3 | -9.4 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 394 | T | 29.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | 92.5 | 117.1 | 132.1 | 20.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 395 | R | 29.6 | Very low | 31.2 | Very low | 222 Ų | 222 | 124.9 Ų | 124.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | 89.7 | 136.8 | 118.7 | -149.1 | 176.3 | -170.4 | 154.3 | 2.9 | 121.3 | |||||
| 396 | S | 27.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 149.2 | 155.8 | -104.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 397 | Q | 32.3 | Very low | 31.1 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -164.1 | 157.9 | -4.1 | -144.8 | 175.5 | -9.1 | 0 | 0 | 110.8 | ||||
| 398 | L | 29.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | trans | 75.9 | 158.3 | 139.2 | -126 | 71.3 | 0 | 0 | 0 | 122.4 | ||||
| 399 | D | 29 | Very low | 31.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 125.7 | 165.6 | -52.7 | -34.7 | 0 | 0 | 0 | 119 | ||||
| 400 | Q | 32.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | cis | 109 | 118.8 | 24.1 | 179.9 | 158 | 13.7 | 0 | 0 | 112.6 | ||||
| 401 | E | 30.6 | Very low | 31.6 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 85.1 | 123.3 | 151.8 | -140.3 | 133.9 | 122.6 | 0 | 0 | 122.6 | ||||
| 402 | S | 29.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 65 | 136.8 | 138.5 | -160.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 403 | G | 28.5 | Very low | 31.3 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 166.2 | 73.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 404 | A | 33.1 | Very low | 31.9 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -95.2 | 137.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 405 | V | 33.1 | Very low | 32.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -145.1 | 97 | 162.1 | -176.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 406 | I | 34.5 | Very low | 32.7 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | 57.8 | 108.8 | 88.3 | -58.5 | -178.6 | 0 | 0 | 0 | 114.1 | |||||
| 407 | H | 31.3 | Very low | 33.2 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | -135.8 | 137.5 | 129.4 | -102.7 | -81.2 | 0 | 0 | 0 | 108.2 | |||||
| 408 | A | 31.6 | Very low | 33.2 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -129.4 | 155.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 409 | A | 32.2 | Very low | 33.4 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 62.4 | 148.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 410 | T | 31.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | cis | -144 | 112.9 | 30.8 | -52.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 411 | Q | 33.3 | Very low | 33.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | 60.9 | 120.1 | 85.3 | -111.1 | -177.5 | 5 | 0 | 0 | 116.6 | |||||
| 412 | T | 36.5 | Very low | 33.9 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -78.1 | 160.9 | 169 | 36 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 413 | S | 34.4 | Very low | 34.3 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -136.4 | 146.9 | 155.9 | 59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 414 | L | 40.7 | Very low | 34.7 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | trans | -95 | 141.6 | -170.7 | -121.7 | 83.1 | 0 | 0 | 0 | 112.1 | ||||
| 415 | Q | 39.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.682 | 84% | 0.837 | S | S | * | * | 66 | 147 | 123.7 | -165.5 | 164 | -38.7 | 0 | 0 | 123.2 | |||||
| 416 | E | 35.8 | Very low | 34.9 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | 79.1 | 98.4 | 158.2 | -95.5 | 164.8 | 123.2 | 0 | 0 | 121 | ||||
| 417 | A | 37.8 | Very low | 35 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 100% | 1.463 | 85% | 0.852 | S | S | * | * | -158.3 | 0 | 126 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 417 of 417 residues in 570.4 ms
(Link to these results)