| 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 | 44.6 | Very low | 54.4 | Low | 228 Ų | 228 | 122.1 Ų | 122.1 | 100% | 1.123 | 64% | 0.644 | S | S | * | * | 0 | 91.8 | 0 | -71.9 | 172.5 | 94.7 | 0 | 0 | 106.6 | T3 | M1-T3 PolarHBondContact O-N 3.27Š| |||
| 2 | D | 47 | Very low | 56.6 | Low | 146 Ų | 146 | 124.8 Ų | 124.8 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | trans | -80.2 | 99.6 | -166.7 | -66.3 | -73.3 | 0 | 0 | 0 | 112 | K4 | D2-K4 PolarHBondContact O-N 2.89Š| ||
| 3 | T | 50 | Low | 58.5 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 2.4 | 173.8 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | M1 | M1-T3 PolarHBondContact O-N 3.27Š|
| 4 | K | 49.1 | Very low | 60.1 | Low | 190 Ų | 190 | 121.9 Ų | 121.9 | 83% | 0.826 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -19.2 | 178.5 | -76.4 | 179.9 | 177.7 | 174.3 | 0 | 114.1 | D2 | D2-K4 PolarHBondContact O-N 2.89Š|
| 5 | G | 48 | Very low | 61.8 | Low | 44 Ų | 44 | 121.5 Ų | 121.5 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H7 G8 | G5-H7 VanDerWaalsContact C-N 3.32Å; G5-H7 PolarHBondContact O-N 3.18Å; G5-G8 PolarHBondContact O-N 3.38Å |
| 6 | L | 50.5 | Low | 63.3 | Low | 132 Ų | 132 | 121.7 Ų | 121.7 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.9 | -30.5 | -175.3 | -105.5 | 83.5 | 0 | 0 | 0 | 114.1 | G8 D10 | L6-G8 VanDerWaalsContact C-N 3.35Å; L6-D10 PolarHBondContact O-N 3.15Å |
| 7 | H | 48.5 | Very low | 64.7 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 53% | 0.532 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.4 | -24.3 | -176.2 | -164.6 | 71.8 | 0 | 0 | 0 | 113.1 | G5 K11 | G5-H7 VanDerWaalsContact C-N 3.32Å; G5-H7 PolarHBondContact O-N 3.18Å; H7-K11 PolarHBondContact CD2-NZ 3.2Å; H7-K11 WeakPolarHBondContact NE2-CE 3.47Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 WeakPolarHBondContact O-CG 3.05Å |
| 8 | G | 56.5 | Low | 65.9 | Low | 37 Ų | 37 | 122.3 Ų | 122.3 | 38% | 0.381 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -80.9 | -34.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G5 L6 K12 | G5-G8 PolarHBondContact O-N 3.38Å; L6-G8 VanDerWaalsContact C-N 3.35Å; G8-K12 WeakPolarHBondContact O-CG 3.41Å; G8-K12 PolarHBondContact O-N 3.42Å; G8-K12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 59.9 | Low | 67 | Low | 134 Ų | 134 | 120.6 Ų | 120.6 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.5 | -40.1 | 178.3 | -66.4 | -177.3 | 122.9 | 0 | 0 | 111.9 | K11 K12 L13 | E9-K11 PolarHBondContact O-N 3.44Å; E9-K12 PolarHBondContact O-N 2.91Å; E9-L13 VanDerWaalsContact O-CB 3.3Å; E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 2.82Å |
| 10 | D | 69.9 | Low | 67.8 | Low | 65 Ų | 65 | 118.6 Ų | 118.6 | 35% | 0.348 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -38 | 175.1 | -177.7 | 34 | 0 | 0 | 0 | 112.3 | L6 K14 | L6-D10 PolarHBondContact O-N 3.15Å; D10-K14 WeakPolarHBondContact O-CB 3.01Å; D10-K14 VanDerWaalsContact O-CG 3.32Å; D10-K14 WeakPolarHBondContact O-CG 3.5Å; D10-K14 PolarHBondContact O-N 2.7Å; D10-K14 WeakPolarHBondContact OD1-CE 3.28Å; D10-K14 IonicContact OD1-NZ 3.23Å; D10-K14 PolarHBondContact OD1-NZ 3.32Å; D10-K14 IonicContact OD2-NZ 2.73Å; D10-K14 PolarHBondContact OD2-NZ 2.74Å |
| 11 | K | 74.6 | Confident | 68.5 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 54% | 0.543 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -41.4 | 174.9 | -76 | -179.6 | -178 | 172.4 | 0 | 112.6 | H7 E9 M15 | H7-K11 PolarHBondContact CD2-NZ 3.2Å; H7-K11 WeakPolarHBondContact NE2-CE 3.47Å; H7-K11 PolarHBondContact NE2-NZ 3.28Å; H7-K11 WeakPolarHBondContact O-CG 3.05Å; E9-K11 PolarHBondContact O-N 3.44Å; K11-M15 VanDerWaalsContact O-CB 3.28Å; K11-M15 WeakPolarHBondContact O-CB 3.26Å; K11-M15 PolarHBondContact O-N 3.36Å |
| 12 | K | 80.1 | Confident | 70.4 | Confident | 155 Ų | 155 | 110.3 Ų | 110.3 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 176.1 | -76.1 | -173.1 | 178.9 | -175.7 | 0 | 111.5 | G8 E9 M15 F16 | G8-K12 WeakPolarHBondContact O-CG 3.41Å; G8-K12 PolarHBondContact O-N 3.42Å; G8-K12 VanDerWaalsContact O-N 3.16Å; E9-K12 PolarHBondContact O-N 2.91Å; K12-M15 PolarHBondContact O-N 2.65Å; K12-F16 WeakPolarHBondContact O-CB 3.36Å; K12-F16 PolarHBondContact O-N 3.21Å |
| 13 | L | 81.8 | Confident | 71.8 | Confident | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 176 | -176.6 | 65.4 | 0 | 0 | 0 | 111.4 | E9 M15 F16 I17 | E9-L13 VanDerWaalsContact O-CB 3.3Å; E9-L13 WeakPolarHBondContact O-CB 3.06Å; E9-L13 PolarHBondContact O-N 2.82Å; L13-M15 PolarHBondContact O-N 2.83Å; L13-F16 PolarHBondContact O-N 3.45Å; L13-I17 HydrophobicContact CD1-CD1 4.39Å; L13-I17 HydrophobicContact CG-CD1 4.05Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 2.84Å |
| 14 | K | 81.6 | Confident | 72.9 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 46% | 0.457 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.4 | -78.2 | 169.3 | 177.9 | 158 | 0 | 112 | D10 F16 I17 F18 | D10-K14 WeakPolarHBondContact O-CB 3.01Å; D10-K14 VanDerWaalsContact O-CG 3.32Å; D10-K14 WeakPolarHBondContact O-CG 3.5Å; D10-K14 PolarHBondContact O-N 2.7Å; D10-K14 WeakPolarHBondContact OD1-CE 3.28Å; D10-K14 IonicContact OD1-NZ 3.23Å; D10-K14 PolarHBondContact OD1-NZ 3.32Å; D10-K14 IonicContact OD2-NZ 2.73Å; D10-K14 PolarHBondContact OD2-NZ 2.74Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 3.43Å; K14-I17 PolarHBondContact O-N 2.02Å; K14-F18 WeakPolarHBondContact O-CD2 3.3Å; K14-F18 PolarHBondContact O-N 2.96Å |
| 15 | M | 85.2 | Confident | 73.6 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 175.7 | -173.6 | -157.7 | 73.7 | 0 | 0 | 111.4 | K11 K12 L13 F18 L19 | K11-M15 VanDerWaalsContact O-CB 3.28Å; K11-M15 WeakPolarHBondContact O-CB 3.26Å; K11-M15 PolarHBondContact O-N 3.36Å; K12-M15 PolarHBondContact O-N 2.65Å; L13-M15 PolarHBondContact O-N 2.83Å; M15-F18 PolarHBondContact O-N 3.11Å; M15-L19 WeakPolarHBondContact O-CB 3.38Å; M15-L19 PolarHBondContact O-N 2.86Å |
| 16 | F | 86.3 | Confident | 74.3 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177 | -150.7 | -101.5 | 0 | 0 | 0 | 111.7 | K12 L13 K14 L19 L20 | K12-F16 WeakPolarHBondContact O-CB 3.36Å; K12-F16 PolarHBondContact O-N 3.21Å; L13-F16 PolarHBondContact O-N 3.45Å; K14-F16 VanDerWaalsContact C-N 3.31Å; K14-F16 PolarHBondContact O-N 3.43Å; F16-L19 PolarHBondContact O-N 2.97Å; F16-L20 HydrophobicContact CD1-CD1 3.32Å; F16-L20 HydrophobicContact CE1-CD1 3.42Å; F16-L20 VanDerWaalsContact CE1-CD1 3.42Å; F16-L20 HydrophobicContact CG-CD1 4.35Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 WeakPolarHBondContact O-CD1 3.49Å; F16-L20 PolarHBondContact O-N 3.4Å |
| 17 | I | 86.9 | Confident | 74.7 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 173.7 | -68.6 | 167.9 | 0 | 0 | 0 | 111.1 | L13 K14 L19 L20 A21 | L13-I17 HydrophobicContact CD1-CD1 4.39Å; L13-I17 HydrophobicContact CG-CD1 4.05Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.19Å; L13-I17 PolarHBondContact O-N 2.84Å; K14-I17 PolarHBondContact O-N 2.02Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L20 PolarHBondContact O-N 3.2Å; I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.94Å |
| 18 | F | 86.2 | Confident | 75 | Confident | 155 Ų | 155 | 105.1 Ų | 105.1 | 68% | 0.68 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 175 | -82.9 | -67.3 | 0 | 0 | 0 | 112.1 | K14 M15 A21 Y22 | K14-F18 WeakPolarHBondContact O-CD2 3.3Å; K14-F18 PolarHBondContact O-N 2.96Å; M15-F18 PolarHBondContact O-N 3.11Å; F18-A21 PolarHBondContact O-N 3.24Å; F18-Y22 WeakPolarHBondContact O-CB 3.06Å; F18-Y22 PolarHBondContact O-N 2.79Å |
| 19 | L | 86.1 | Confident | 74.7 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 176.3 | -157.3 | 81.8 | 0 | 0 | 0 | 111.2 | M15 F16 I17 Y22 L23 | M15-L19 WeakPolarHBondContact O-CB 3.38Å; M15-L19 PolarHBondContact O-N 2.86Å; F16-L19 PolarHBondContact O-N 2.97Å; I17-L19 VanDerWaalsContact C-N 3.35Å; L19-Y22 PolarHBondContact O-N 3.41Å; L19-L23 HydrophobicContact CD2-CD1 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.75Å |
| 20 | L | 83.9 | Confident | 74.3 | Confident | 80 Ų | 80 | 110.5 Ų | 110.5 | 42% | 0.419 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 172.8 | -98.7 | 135.8 | 0 | 0 | 0 | 111.6 | F16 I17 Y22 L23 L24 | F16-L20 HydrophobicContact CD1-CD1 3.32Å; F16-L20 HydrophobicContact CE1-CD1 3.42Å; F16-L20 VanDerWaalsContact CE1-CD1 3.42Å; F16-L20 HydrophobicContact CG-CD1 4.35Å; F16-L20 WeakPolarHBondContact O-CB 3.46Å; F16-L20 WeakPolarHBondContact O-CD1 3.49Å; F16-L20 PolarHBondContact O-N 3.4Å; I17-L20 PolarHBondContact O-N 3.2Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 2.97Å; L20-L23 PolarHBondContact O-N 2.81Å; L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CD1 3.46Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 2.99Å |
| 21 | A | 82.2 | Confident | 73.6 | Confident | 49 Ų | 49 | 111.2 Ų | 111.2 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.2 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I17 F18 S25 | I17-A21 VanDerWaalsContact O-CB 3.25Å; I17-A21 WeakPolarHBondContact O-CB 3.48Å; I17-A21 PolarHBondContact O-N 2.94Å; F18-A21 PolarHBondContact O-N 3.24Å; A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 3.42Å; A21-S25 PolarHBondContact O-OG 2.88Å |
| 22 | Y | 83.8 | Confident | 73.2 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.2 | -40.3 | 174.8 | -178.7 | -104 | 0 | 0 | 0 | 112.5 | F18 L19 L20 S25 R26 | F18-Y22 WeakPolarHBondContact O-CB 3.06Å; F18-Y22 PolarHBondContact O-N 2.79Å; L19-Y22 PolarHBondContact O-N 3.41Å; L20-Y22 VanDerWaalsContact C-N 3.31Å; L20-Y22 PolarHBondContact O-N 2.97Å; Y22-S25 VanDerWaalsContact CA-OG 3.25Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 PolarHBondContact O-OG 2.78Å; Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 WeakPolarHBondContact O-CG 3.48Å; Y22-R26 PolarHBondContact O-N 2.8Å; Y22-R26 PolarHBondContact OH-NE 3.12Å; Y22-R26 PolarHBondContact OH-NH2 2.71Å |
| 23 | L | 77.7 | Confident | 73.4 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.2 | -43.2 | 175.7 | -71.3 | 167.5 | 0 | 0 | 0 | 111.3 | L19 L20 R26 V27 | L19-L23 HydrophobicContact CD2-CD1 4.47Å; L19-L23 HydrophobicContact CG-CD1 4.28Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 WeakPolarHBondContact O-CG 3.38Å; L19-L23 PolarHBondContact O-N 2.75Å; L20-L23 PolarHBondContact O-N 2.81Å; L23-R26 PolarHBondContact O-N 2.93Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 2.97Å |
| 24 | L | 71.3 | Confident | 73.8 | Confident | 92 Ų | 92 | 103 Ų | 103 | 48% | 0.482 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 174.8 | -71.8 | 166.7 | 0 | 0 | 0 | 111.2 | L20 R26 V27 I28 | L20-L24 HydrophobicContact CD2-CD1 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.06Å; L20-L24 WeakPolarHBondContact O-CD1 3.46Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 2.99Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.78Å; L24-V27 CarbonylContact O-C 3.57Å; L24-V27 PolarHBondContact O-N 2.04Å; L24-I28 HydrophobicContact CB-CD1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 2.87Å; L24-I28 VanDerWaalsContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CD1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.09Å; L24-I28 PolarHBondContact O-N 3.04Å |
| 25 | S | 65.3 | Low | 74.2 | Confident | 54 Ų | 54 | 106.9 Ų | 106.9 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -32.7 | 174 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | A21 Y22 I28 C29 | A21-S25 WeakPolarHBondContact O-CB 3.48Å; A21-S25 PolarHBondContact O-N 3.42Å; A21-S25 PolarHBondContact O-OG 2.88Å; Y22-S25 VanDerWaalsContact CA-OG 3.25Å; Y22-S25 WeakPolarHBondContact CA-OG 3.49Å; Y22-S25 PolarHBondContact O-OG 2.78Å; S25-I28 PolarHBondContact O-N 2.87Å; S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.17Å; S25-C29 PolarHBondContact O-SG 3.42Å |
| 26 | R | 62.5 | Low | 74.5 | Confident | 163 Ų | 163 | 107.5 Ų | 107.5 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.3 | -36.1 | 169.2 | -81.1 | -162.6 | 165.3 | -129.9 | -3.9 | 113.3 | Y22 L23 L24 I28 | Y22-R26 WeakPolarHBondContact O-CB 3.26Å; Y22-R26 WeakPolarHBondContact O-CG 3.48Å; Y22-R26 PolarHBondContact O-N 2.8Å; Y22-R26 PolarHBondContact OH-NE 3.12Å; Y22-R26 PolarHBondContact OH-NH2 2.71Å; L23-R26 PolarHBondContact O-N 2.93Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.78Å; R26-I28 VanDerWaalsContact C-N 3.33Å |
| 27 | V | 58.7 | Low | 74.8 | Confident | 117 Ų | 117 | 106 Ų | 106 | 71% | 0.709 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -28.5 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L23 L24 | L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 2.97Å; L24-V27 CarbonylContact O-C 3.57Å; L24-V27 PolarHBondContact O-N 2.04Å |
| 28 | I | 54.4 | Low | 75.1 | Confident | 123 Ų | 123 | 103.2 Ų | 103.2 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -88.9 | -21.4 | 178.8 | -61.7 | 160.8 | 0 | 0 | 0 | 112.1 | L24 S25 R26 | L24-I28 HydrophobicContact CB-CD1 4.48Å; L24-I28 WeakPolarHBondContact O-CB 2.87Å; L24-I28 VanDerWaalsContact O-CD1 3.31Å; L24-I28 WeakPolarHBondContact O-CD1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.09Å; L24-I28 PolarHBondContact O-N 3.04Å; S25-I28 PolarHBondContact O-N 2.87Å; R26-I28 VanDerWaalsContact C-N 3.33Å |
| 29 | C | 50.4 | Low | 75.4 | Confident | 103 Ų | 103 | 96.8 Ų | 96.8 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -99.4 | 13.9 | -174.8 | -79 | 0 | 0 | 0 | 0 | 116.5 | S25 | S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.17Å; S25-C29 PolarHBondContact O-SG 3.42Å |
| 30 | E | 51.6 | Low | 75.7 | Confident | 180 Ų | 180 | 95.6 Ų | 95.6 | 84% | 0.841 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -109 | 8.2 | 174.1 | -121.9 | 179.9 | -164.8 | 0 | 0 | 114.7 | ||
| 31 | T | 55.8 | Low | 76.1 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | trans | -114.3 | 72.1 | 161.2 | 49 | 0 | 0 | 0 | 0 | 108.3 | D33 R40 | T31-D33 PolarHBondContact O-N 3.17Å; T31-R40 VanDerWaalsContact CG2-NH1 3.34Å | ||
| 32 | G | 66 | Low | 76.4 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 141 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | C34 R40 | G32-C34 PolarHBondContact O-N 2.85Å; G32-R40 PolarHBondContact O-NH2 3.5Å |
| 33 | D | 83.6 | Confident | 76.7 | Confident | 156 Ų | 156 | 96.9 Ų | 96.9 | 83% | 0.834 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59 | 130.4 | 173.6 | -81.2 | -26.6 | 0 | 0 | 0 | 108.8 | T31 | T31-D33 PolarHBondContact O-N 3.17Š|
| 34 | C | 90.1 | Very high | 77.2 | Confident | 5 Ų | 5 | 93.7 Ų | 93.7 | 3% | 0.034 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.5 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | G32 E38 C46 | G32-C34 PolarHBondContact O-N 2.85Å; C34-E38 HydrophobicContact CB-CB 3.93Å; C34-C46 WeakPolarHBondContact CA-SG 3.34Å; C34-C46 HydrophobicContact CB-CB 3.75Å; C34-C46 WeakPolarHBondContact CB-SG 3.21Å; C34-C46 VanDerWaalsContact SG-CA 3.55Å; C34-C46 WeakPolarHBondContact SG-CB 3.33Å; C34-C46 CovalentContact SG-SG 2.05Å; C34-C46 PolarHBondContact SG-SG 3.02Å |
| 35 | R | 91.4 | Very high | 78.2 | Confident | 185 Ų | 185 | 93.5 Ų | 93.5 | 70% | 0.698 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 169.9 | -179 | -60.7 | 178.7 | 178.7 | -176.3 | -0.4 | 111.6 | Q37 E38 F64 | R35-Q37 PolarHBondContact O-N 2.83Å; R35-E38 HydrophobicContact CB-CB 4.4Å; R35-E38 HydrophobicContact CB-CG 4.12Å; R35-E38 WeakPolarHBondContact CB-OE2 3.22Å; R35-E38 WeakPolarHBondContact CD-OE1 3.43Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.97Å; R35-E38 PolarHBondContact O-N 3.07Å; R35-F64 PolarHBondContact O-N 3.18Å |
| 36 | E | 91.5 | Very high | 79.5 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28.3 | 178.8 | 177.8 | 170.9 | -153.8 | 0 | 0 | 113.9 | G63 F64 | E36-G63 WeakPolarHBondContact O-CA 3.07Å; E36-F64 HydrophobicContact CB-CE1 3.84Å; E36-F64 HydrophobicContact CB-CE2 3.88Å; E36-F64 HydrophobicContact CB-CZ 3.47Å; E36-F64 VanDerWaalsContact CB-CZ 3.47Å; E36-F64 HydrophobicContact CG-CE1 4.41Å; E36-F64 HydrophobicContact CG-CE2 3.6Å; E36-F64 HydrophobicContact CG-CZ 3.54Å |
| 37 | Q | 92 | Very high | 80.9 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 22.2 | 179.8 | -62.3 | 175.4 | 15.6 | 0 | 0 | 112.3 | R35 L48 C49 | R35-Q37 PolarHBondContact O-N 2.83Å; Q37-L48 HydrophobicContact CB-CD1 4.33Å; Q37-L48 WeakPolarHBondContact O-CD1 3.25Å; Q37-C49 WeakPolarHBondContact O-CB 3.17Å; Q37-C49 PolarHBondContact O-N 2.96Å; Q37-C49 PolarHBondContact O-SG 3.24Å |
| 38 | E | 93.1 | Very high | 82.6 | Confident | 41 Ų | 41 | 87.5 Ų | 87.5 | 19% | 0.192 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.8 | 179.9 | -66.6 | 167.8 | -178.7 | 0 | 0 | 110.6 | C34 R35 C46 V47 L48 G63 F64 G65 | C34-E38 HydrophobicContact CB-CB 3.93Å; R35-E38 HydrophobicContact CB-CB 4.4Å; R35-E38 HydrophobicContact CB-CG 4.12Å; R35-E38 WeakPolarHBondContact CB-OE2 3.22Å; R35-E38 WeakPolarHBondContact CD-OE1 3.43Å; R35-E38 WeakPolarHBondContact CG-OE2 3.46Å; R35-E38 PolarHBondContact N-OE2 2.97Å; R35-E38 PolarHBondContact O-N 3.07Å; E38-C46 HydrophobicContact CB-CB 4.22Å; E38-V47 CarbonylContact C-O 3.47Å; E38-V47 WeakPolarHBondContact CA-O 3.36Å; E38-L48 HydrophobicContact CG-CD1 4.45Å; E38-G63 CarbonylContact O-C 3.56Å; E38-G63 VanDerWaalsContact O-C 3.26Å; E38-G63 WeakPolarHBondContact O-CA 3.09Å; E38-F64 PolarHBondContact O-N 3.46Å; E38-F64 VanDerWaalsContact O-N 3.1Å; E38-G65 PolarHBondContact O-N 3.41Å |
| 39 | F | 92.8 | Very high | 84.4 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 9% | 0.088 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 159.7 | 170.3 | 70.5 | -92.9 | 0 | 0 | 0 | 110 | D41 C46 V47 L48 F66 E68 | F39-D41 HydrophobicContact CE2-CB 4.24Å; F39-C46 CarbonylContact O-C 3.59Å; F39-C46 WeakPolarHBondContact O-CA 3.47Å; F39-V47 HydrophobicContact CD1-CB 4.45Å; F39-V47 WeakPolarHBondContact CD1-O 3.32Å; F39-V47 HydrophobicContact CE1-CB 3.94Å; F39-V47 HydrophobicContact CE1-CG1 3.84Å; F39-V47 HydrophobicContact CE2-CB 4.01Å; F39-V47 HydrophobicContact CE2-CG1 4.45Å; F39-V47 HydrophobicContact CZ-CB 3.7Å; F39-V47 HydrophobicContact CZ-CG1 3.69Å; F39-V47 PolarHBondContact N-O 2.84Å; F39-V47 PolarHBondContact O-N 3.22Å; F39-L48 WeakPolarHBondContact CE1-O 3.49Å; F39-F66 VanDerWaalsContact CB-C 3.5Å; F39-F66 WeakPolarHBondContact CB-O 3.33Å; F39-E68 HydrophobicContact CD2-CB 3.59Å; F39-E68 HydrophobicContact CD2-CG 4.17Å; F39-E68 VanDerWaalsContact CE2-CA 3.46Å; F39-E68 HydrophobicContact CE2-CB 3.72Å; F39-E68 HydrophobicContact CE2-CG 3.79Å |
| 40 | R | 92.5 | Very high | 86.4 | Confident | 64 Ų | 64 | 82 Ų | 82 | 24% | 0.242 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123 | 176 | -165.3 | 178.5 | -67.2 | -79.4 | 0.9 | 108.8 | T31 G32 G44 N45 G65 | T31-R40 VanDerWaalsContact CG2-NH1 3.34Å; G32-R40 PolarHBondContact O-NH2 3.5Å; R40-G44 PolarHBondContact NH1-O 3.32Å; R40-N45 CarbonylContact C-O 3.58Å; R40-N45 WeakPolarHBondContact CA-O 3.33Å; R40-G65 WeakPolarHBondContact CB-O 3.34Å; R40-G65 PolarHBondContact N-O 3.05Å |
| 41 | D | 91.4 | Very high | 88.4 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | trans | -75.9 | 168.3 | 174.7 | 72.1 | 13.5 | 0 | 0 | 0 | 111.6 | F39 T43 G44 N45 V47 E68 | F39-D41 HydrophobicContact CE2-CB 4.24Å; D41-T43 PolarHBondContact O-N 2.9Å; D41-T43 VanDerWaalsContact OD1-C 3.25Å; D41-T43 VanDerWaalsContact OD1-CA 3.26Å; D41-T43 WeakPolarHBondContact OD1-CA 3.39Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.03Å; D41-T43 PolarHBondContact OD1-N 3.12Å; D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.11Å; D41-N45 PolarHBondContact N-O 3.33Å; D41-N45 PolarHBondContact OD1-N 2.04Å; D41-N45 PolarHBondContact OD2-ND2 3.34Å; D41-V47 HydrophobicContact CB-CG2 4.05Å; D41-E68 WeakPolarHBondContact CA-OE1 3.17Å | ||
| 42 | H | 89.6 | Confident | 90.3 | Very high | 157 Ų | 157 | 74.1 Ų | 74.1 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.5 | 174.4 | 62.6 | -80.5 | 0 | 0 | 0 | 114.3 | E68 | H42-E68 IonicContact CG-OE1 3.64Å; H42-E68 PolarHBondContact N-OE1 3.06Å; H42-E68 PolarHBondContact N-OE2 3.16Å; H42-E68 IonicContact ND1-OE1 2.98Å; H42-E68 PolarHBondContact ND1-OE1 2.71Å |
| 43 | T | 89.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 72 Ų | 72 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.7 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | D41 | D41-T43 PolarHBondContact O-N 2.9Å; D41-T43 VanDerWaalsContact OD1-C 3.25Å; D41-T43 VanDerWaalsContact OD1-CA 3.26Å; D41-T43 WeakPolarHBondContact OD1-CA 3.39Å; D41-T43 VanDerWaalsContact OD1-CB 3.31Å; D41-T43 WeakPolarHBondContact OD1-CB 3.03Å; D41-T43 PolarHBondContact OD1-N 3.12Å |
| 44 | G | 87.3 | Confident | 92.4 | Very high | 29 Ų | 29 | 67 Ų | 67 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 90.6 | 3.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R40 D41 | R40-G44 PolarHBondContact NH1-O 3.32Å; D41-G44 PolarHBondContact O-N 3.4Å; D41-G44 PolarHBondContact OD1-N 3.11Å |
| 45 | N | 91.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | trans | -84.4 | 147.7 | 179.9 | -52.6 | -62.8 | 0 | 0 | 0 | 111.7 | R40 D41 | R40-N45 CarbonylContact C-O 3.58Å; R40-N45 WeakPolarHBondContact CA-O 3.33Å; D41-N45 PolarHBondContact N-O 3.33Å; D41-N45 PolarHBondContact OD1-N 2.04Å; D41-N45 PolarHBondContact OD2-ND2 3.34Å | ||
| 46 | C | 92.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117.8 | 171.5 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | C34 E38 F39 | C34-C46 WeakPolarHBondContact CA-SG 3.34Å; C34-C46 HydrophobicContact CB-CB 3.75Å; C34-C46 WeakPolarHBondContact CB-SG 3.21Å; C34-C46 VanDerWaalsContact SG-CA 3.55Å; C34-C46 WeakPolarHBondContact SG-CB 3.33Å; C34-C46 CovalentContact SG-SG 2.05Å; C34-C46 PolarHBondContact SG-SG 3.02Å; E38-C46 HydrophobicContact CB-CB 4.22Å; F39-C46 CarbonylContact O-C 3.59Å; F39-C46 WeakPolarHBondContact O-CA 3.47Å |
| 47 | V | 93.2 | Very high | 93.1 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.2 | -177 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | E38 F39 D41 | E38-V47 CarbonylContact C-O 3.47Å; E38-V47 WeakPolarHBondContact CA-O 3.36Å; F39-V47 HydrophobicContact CD1-CB 4.45Å; F39-V47 WeakPolarHBondContact CD1-O 3.32Å; F39-V47 HydrophobicContact CE1-CB 3.94Å; F39-V47 HydrophobicContact CE1-CG1 3.84Å; F39-V47 HydrophobicContact CE2-CB 4.01Å; F39-V47 HydrophobicContact CE2-CG1 4.45Å; F39-V47 HydrophobicContact CZ-CB 3.7Å; F39-V47 HydrophobicContact CZ-CG1 3.69Å; F39-V47 PolarHBondContact N-O 2.84Å; F39-V47 PolarHBondContact O-N 3.22Å; D41-V47 HydrophobicContact CB-CG2 4.05Å |
| 48 | L | 93.8 | Very high | 93.2 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.9 | -179.1 | -163.2 | 76.8 | 0 | 0 | 0 | 111.6 | Q37 E38 F39 | Q37-L48 HydrophobicContact CB-CD1 4.33Å; Q37-L48 WeakPolarHBondContact O-CD1 3.25Å; E38-L48 HydrophobicContact CG-CD1 4.45Å; F39-L48 WeakPolarHBondContact CE1-O 3.49Å |
| 49 | C | 92.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 149.8 | 173 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | Q37 C62 F86 | Q37-C49 WeakPolarHBondContact O-CB 3.17Å; Q37-C49 PolarHBondContact O-N 2.96Å; Q37-C49 PolarHBondContact O-SG 3.24Å; C49-C62 WeakPolarHBondContact CA-SG 3.15Å; C49-C62 HydrophobicContact CB-CB 3.76Å; C49-C62 WeakPolarHBondContact CB-SG 3.09Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 PolarHBondContact SG-O 3.46Å; C49-C62 CovalentContact SG-SG 2.02Å; C49-C62 PolarHBondContact SG-SG 2.81Å; C49-F86 HydrophobicContact CB-CD1 3.94Å; C49-F86 HydrophobicContact CB-CE1 3.68Å; C49-F86 WeakPolarHBondContact O-CE1 2.99Å |
| 50 | K | 92.2 | Very high | 93.1 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 45% | 0.452 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 140.8 | 173.4 | -63.3 | 175.1 | -168.9 | 156.9 | 0 | 109.9 | L58 A70 | K50-L58 HydrophobicContact CB-CD2 4.17Å; K50-A70 PolarHBondContact NZ-O 2.83Å |
| 51 | Q | 93.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 59 Ų | 59 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 130.9 | 170.3 | -66.5 | -179.5 | 40.9 | 0 | 0 | 109.4 | F86 | Q51-F86 HydrophobicContact CB-CE1 4.46Å; Q51-F86 HydrophobicContact CG-CD1 3.71Å; Q51-F86 HydrophobicContact CG-CD2 4.09Å; Q51-F86 HydrophobicContact CG-CE1 3.27Å; Q51-F86 HydrophobicContact CG-CE2 3.68Å; Q51-F86 HydrophobicContact CG-CG 4.12Å; Q51-F86 HydrophobicContact CG-CZ 3.27Å; Q51-F86 VanDerWaalsContact NE2-CZ 3.28Å |
| 52 | C | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -93.5 | 151 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | M56 L58 C72 K81 W84 G85 | C52-M56 HydrophobicContact CB-CB 3.88Å; C52-M56 WeakPolarHBondContact CB-O 3.47Å; C52-L58 VanDerWaalsContact SG-CD2 3.58Å; C52-C72 WeakPolarHBondContact CA-SG 2.96Å; C52-C72 HydrophobicContact CB-CB 3.86Å; C52-C72 WeakPolarHBondContact CB-SG 3.36Å; C52-C72 WeakPolarHBondContact SG-CA 3.4Å; C52-C72 WeakPolarHBondContact SG-CB 3.1Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.93Å; C52-K81 PolarHBondContact O-NZ 3.25Å; C52-W84 WeakPolarHBondContact O-CA 3.42Å; C52-G85 PolarHBondContact N-O 3.27Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 2.88Å |
| 53 | G | 96.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | trans | -79.6 | -171.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | M56 K81 | G53-M56 PolarHBondContact O-N 3.18Å; G53-K81 PolarHBondContact O-NZ 2.87Å | ||
| 54 | P | 96.9 | Very high | 93.4 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 139.9 | 173.9 | -21.1 | 32.6 | 0 | 0 | 0 | 110.9 | M56 K81 E82 T109 | P54-M56 PolarHBondContact O-N 2Å; P54-K81 CarbonylContact C-O 3.54Å; P54-K81 VanDerWaalsContact CA-O 3.25Å; P54-K81 WeakPolarHBondContact CA-O 3.46Å; P54-E82 WeakPolarHBondContact CB-O 3.41Å; P54-E82 VanDerWaalsContact CG-O 3.25Å; P54-E82 WeakPolarHBondContact CG-O 3.38Å; P54-T109 HydrophobicContact CB-CG2 4.11Å |
| 55 | G | 96.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 8.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | T74 C75 K81 A108 | G55-T74 CarbonylContact O-C 3.47Å; G55-T74 WeakPolarHBondContact O-CA 3.26Å; G55-C75 PolarHBondContact O-N 2.91Å; G55-C75 PolarHBondContact O-SG 3.43Å; G55-K81 PolarHBondContact N-O 2.04Å; G55-A108 WeakPolarHBondContact CA-O 3.37Å |
| 56 | M | 96.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 30% | 0.3 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.8 | -176.8 | -54 | -70.2 | -94.8 | 0 | 0 | 111.7 | C52 G53 P54 C72 M73 T74 K81 | C52-M56 HydrophobicContact CB-CB 3.88Å; C52-M56 WeakPolarHBondContact CB-O 3.47Å; G53-M56 PolarHBondContact O-N 3.18Å; P54-M56 PolarHBondContact O-N 2Å; M56-C72 HydrophobicContact CB-CB 4.35Å; M56-C72 HydrophobicContact CE-CB 4.47Å; M56-C72 WeakPolarHBondContact CE-O 3.48Å; M56-M73 CarbonylContact C-O 3.57Å; M56-M73 WeakPolarHBondContact CA-O 3.43Å; M56-T74 HydrophobicContact CE-CG2 4.36Å; M56-T74 VanDerWaalsContact SD-CA 3.5Å; M56-T74 HydrophobicContact SD-CG2 3.55Å; M56-T74 VanDerWaalsContact SD-CG2 3.55Å; M56-K81 WeakPolarHBondContact O-CD 3.48Å; M56-K81 PolarHBondContact O-NZ 3.28Å |
| 57 | E | 95.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160 | 171.9 | 59.4 | -175.7 | -176.9 | 0 | 0 | 111.3 | C72 M73 C89 | E57-C72 CarbonylContact O-C 3.58Å; E57-C72 WeakPolarHBondContact O-CA 3.14Å; E57-M73 PolarHBondContact N-O 2.84Å; E57-M73 PolarHBondContact O-N 3.37Å; E57-C89 VanDerWaalsContact CB-SG 3.53Å; E57-C89 VanDerWaalsContact OE2-CB 3.28Å; E57-C89 WeakPolarHBondContact OE2-CB 3.26Å; E57-C89 PolarHBondContact OE2-N 2.85Å; E57-C89 PolarHBondContact OE2-SG 3.23Å |
| 58 | L | 94.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.2 | 174.9 | -69.5 | 167.3 | 0 | 0 | 0 | 110.6 | K50 C52 K60 C62 A70 E71 | K50-L58 HydrophobicContact CB-CD2 4.17Å; C52-L58 VanDerWaalsContact SG-CD2 3.58Å; L58-K60 WeakPolarHBondContact CB-O 3.37Å; L58-K60 PolarHBondContact O-N 2.75Å; L58-C62 HydrophobicContact CD1-CB 3.85Å; L58-A70 HydrophobicContact CB-CB 4.5Å; L58-A70 HydrophobicContact CD2-CB 3.98Å; L58-E71 CarbonylContact C-O 3.48Å; L58-E71 WeakPolarHBondContact CA-O 3.07Å |
| 59 | S | 93.8 | Very high | 93.3 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -60.7 | -28.9 | 176.6 | 61 | 0 | 0 | 0 | 0 | 113.3 | E71 M73 | S59-E71 PolarHBondContact N-O 3.49Å; S59-E71 PolarHBondContact OG-N 3.13Å; S59-M73 VanDerWaalsContact CA-CE 3.48Å |
| 60 | K | 91.2 | Very high | 93.3 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -138.8 | 154.8 | 177.4 | -59.4 | -179.2 | -172.5 | 175.1 | 0 | 109 | L58 D69 | L58-K60 WeakPolarHBondContact CB-O 3.37Å; L58-K60 PolarHBondContact O-N 2.75Å; K60-D69 IonicContact NZ-OD1 3.1Å; K60-D69 PolarHBondContact NZ-OD1 3.38Å; K60-D69 VanDerWaalsContact NZ-OD1 3.1Å; K60-D69 IonicContact NZ-OD2 2.58Å; K60-D69 PolarHBondContact NZ-OD2 2.03Å |
| 61 | E | 91 | Very high | 93.4 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | trans | -61.2 | 138.7 | 171.1 | -169.7 | 67.8 | -100.8 | 0 | 0 | 109.8 | K88 | E61-K88 WeakPolarHBondContact OE2-CE 2.86Å; E61-K88 IonicContact OE2-NZ 2.61Å; E61-K88 PolarHBondContact OE2-NZ 2.84Å | ||
| 62 | C | 92.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | trans | -121 | 128.3 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 110 | C49 L58 F66 | C49-C62 WeakPolarHBondContact CA-SG 3.15Å; C49-C62 HydrophobicContact CB-CB 3.76Å; C49-C62 WeakPolarHBondContact CB-SG 3.09Å; C49-C62 WeakPolarHBondContact SG-CB 3.44Å; C49-C62 PolarHBondContact SG-O 3.46Å; C49-C62 CovalentContact SG-SG 2.02Å; C49-C62 PolarHBondContact SG-SG 2.81Å; L58-C62 HydrophobicContact CD1-CB 3.85Å; C62-F66 CarbonylContact C-O 3.56Å; C62-F66 VanDerWaalsContact CA-O 3.32Å; C62-F66 WeakPolarHBondContact CA-O 3.38Å | ||
| 63 | G | 93.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | 153 | 161.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E36 E38 G65 F66 | E36-G63 WeakPolarHBondContact O-CA 3.07Å; E38-G63 CarbonylContact O-C 3.56Å; E38-G63 VanDerWaalsContact O-C 3.26Å; E38-G63 WeakPolarHBondContact O-CA 3.09Å; G63-G65 PolarHBondContact O-N 3.35Å; G63-G65 VanDerWaalsContact O-N 3.07Å; G63-F66 PolarHBondContact N-O 2.84Å; G63-F66 PolarHBondContact O-N 2.79Å |
| 64 | F | 92.6 | Very high | 93.5 | Very high | 130 Ų | 130 | 62.1 Ų | 62.1 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.4 | 176.5 | -55 | -80.9 | 0 | 0 | 0 | 113.8 | R35 E36 E38 F66 | R35-F64 PolarHBondContact O-N 3.18Å; E36-F64 HydrophobicContact CB-CE1 3.84Å; E36-F64 HydrophobicContact CB-CE2 3.88Å; E36-F64 HydrophobicContact CB-CZ 3.47Å; E36-F64 VanDerWaalsContact CB-CZ 3.47Å; E36-F64 HydrophobicContact CG-CE1 4.41Å; E36-F64 HydrophobicContact CG-CE2 3.6Å; E36-F64 HydrophobicContact CG-CZ 3.54Å; E38-F64 PolarHBondContact O-N 3.46Å; E38-F64 VanDerWaalsContact O-N 3.1Å; F64-F66 WeakPolarHBondContact O-CD2 3.44Å |
| 65 | G | 91.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | 93.2 | -3.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E38 R40 G63 | E38-G65 PolarHBondContact O-N 3.41Å; R40-G65 WeakPolarHBondContact CB-O 3.34Å; R40-G65 PolarHBondContact N-O 3.05Å; G63-G65 PolarHBondContact O-N 3.35Å; G63-G65 VanDerWaalsContact O-N 3.07Å |
| 66 | F | 90.9 | Very high | 93.4 | Very high | 156 Ų | 156 | 68.7 Ų | 68.7 | 68% | 0.684 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -107.3 | 148.8 | 179.3 | -58.5 | -84.6 | 0 | 0 | 0 | 111.8 | F39 C62 G63 F64 | F39-F66 VanDerWaalsContact CB-C 3.5Å; F39-F66 WeakPolarHBondContact CB-O 3.33Å; C62-F66 CarbonylContact C-O 3.56Å; C62-F66 VanDerWaalsContact CA-O 3.32Å; C62-F66 WeakPolarHBondContact CA-O 3.38Å; G63-F66 PolarHBondContact N-O 2.84Å; G63-F66 PolarHBondContact O-N 2.79Å; F64-F66 WeakPolarHBondContact O-CD2 3.44Å |
| 67 | G | 91 | Very high | 93.2 | Very high | 13 Ų | 13 | 71 Ų | 71 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | trans | 111.9 | 23.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | D69 A70 | G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.84Å; G67-A70 WeakPolarHBondContact O-CB 3.08Å; G67-A70 PolarHBondContact O-N 3.45Å; G67-A70 VanDerWaalsContact O-N 3.17Å | ||
| 68 | E | 90.7 | Very high | 93.2 | Very high | 82 Ų | 82 | 76 Ų | 76 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -43.2 | 178.9 | 178.4 | 174.6 | -153.6 | 0 | 0 | 113.6 | F39 D41 H42 A70 | F39-E68 HydrophobicContact CD2-CB 3.59Å; F39-E68 HydrophobicContact CD2-CG 4.17Å; F39-E68 VanDerWaalsContact CE2-CA 3.46Å; F39-E68 HydrophobicContact CE2-CB 3.72Å; F39-E68 HydrophobicContact CE2-CG 3.79Å; D41-E68 WeakPolarHBondContact CA-OE1 3.17Å; H42-E68 IonicContact CG-OE1 3.64Å; H42-E68 PolarHBondContact N-OE1 3.06Å; H42-E68 PolarHBondContact N-OE2 3.16Å; H42-E68 IonicContact ND1-OE1 2.98Å; H42-E68 PolarHBondContact ND1-OE1 2.71Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.43Å |
| 69 | D | 90.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 79.9 Ų | 79.9 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 19.9 | -179 | 68.8 | -23 | 0 | 0 | 0 | 113 | K60 G67 E71 | K60-D69 IonicContact NZ-OD1 3.1Å; K60-D69 PolarHBondContact NZ-OD1 3.38Å; K60-D69 VanDerWaalsContact NZ-OD1 3.1Å; K60-D69 IonicContact NZ-OD2 2.58Å; K60-D69 PolarHBondContact NZ-OD2 2.03Å; G67-D69 VanDerWaalsContact C-N 3.33Å; G67-D69 PolarHBondContact O-N 2.84Å; D69-E71 PolarHBondContact O-N 3.4Å |
| 70 | A | 92.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 78.8 Ų | 78.8 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | trans | -71.5 | 130.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K50 L58 G67 E68 | K50-A70 PolarHBondContact NZ-O 2.83Å; L58-A70 HydrophobicContact CB-CB 4.5Å; L58-A70 HydrophobicContact CD2-CB 3.98Å; G67-A70 WeakPolarHBondContact O-CB 3.08Å; G67-A70 PolarHBondContact O-N 3.45Å; G67-A70 VanDerWaalsContact O-N 3.17Å; E68-A70 VanDerWaalsContact C-N 3.29Å; E68-A70 PolarHBondContact O-N 3.43Å | ||
| 71 | E | 94.1 | Very high | 93.7 | Very high | 128 Ų | 128 | 74.6 Ų | 74.6 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | trans | -124.5 | 149.8 | 179.2 | -66.1 | -173.1 | 171.7 | 0 | 0 | 110.1 | L58 S59 D69 M73 | L58-E71 CarbonylContact C-O 3.48Å; L58-E71 WeakPolarHBondContact CA-O 3.07Å; S59-E71 PolarHBondContact N-O 3.49Å; S59-E71 PolarHBondContact OG-N 3.13Å; D69-E71 PolarHBondContact O-N 3.4Å; E71-M73 PolarHBondContact O-N 2.95Å | ||
| 72 | C | 95.5 | Very high | 93.9 | Very high | 50 Ų | 50 | 74 Ų | 74 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.4 | 175.5 | -67 | 0 | 0 | 0 | 0 | 110.1 | C52 M56 E57 | C52-C72 WeakPolarHBondContact CA-SG 2.96Å; C52-C72 HydrophobicContact CB-CB 3.86Å; C52-C72 WeakPolarHBondContact CB-SG 3.36Å; C52-C72 WeakPolarHBondContact SG-CA 3.4Å; C52-C72 WeakPolarHBondContact SG-CB 3.1Å; C52-C72 CovalentContact SG-SG 2.04Å; C52-C72 PolarHBondContact SG-SG 2.93Å; M56-C72 HydrophobicContact CB-CB 4.35Å; M56-C72 HydrophobicContact CE-CB 4.47Å; M56-C72 WeakPolarHBondContact CE-O 3.48Å; E57-C72 CarbonylContact O-C 3.58Å; E57-C72 WeakPolarHBondContact O-CA 3.14Å |
| 73 | M | 95.6 | Very high | 94 | Very high | 87 Ų | 87 | 79.1 Ų | 79.1 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 154.4 | 176.3 | -56.1 | -167.7 | -51.9 | 0 | 0 | 110.4 | M56 E57 S59 E71 | M56-M73 CarbonylContact C-O 3.57Å; M56-M73 WeakPolarHBondContact CA-O 3.43Å; E57-M73 PolarHBondContact N-O 2.84Å; E57-M73 PolarHBondContact O-N 3.37Å; S59-M73 VanDerWaalsContact CA-CE 3.48Å; E71-M73 PolarHBondContact O-N 2.95Å |
| 74 | T | 96.2 | Very high | 94.1 | Very high | 100 Ų | 100 | 87.5 Ų | 87.5 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 140.8 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | G55 M56 R76 | G55-T74 CarbonylContact O-C 3.47Å; G55-T74 WeakPolarHBondContact O-CA 3.26Å; M56-T74 HydrophobicContact CE-CG2 4.36Å; M56-T74 VanDerWaalsContact SD-CA 3.5Å; M56-T74 HydrophobicContact SD-CG2 3.55Å; M56-T74 VanDerWaalsContact SD-CG2 3.55Å; T74-R76 PolarHBondContact O-N 2.83Å |
| 75 | C | 96.3 | Very high | 94 | Very high | 12 Ų | 12 | 81.8 Ų | 81.8 | 8% | 0.081 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 137.6 | 171.8 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | G55 R79 C89 A108 | G55-C75 PolarHBondContact O-N 2.91Å; G55-C75 PolarHBondContact O-SG 3.43Å; C75-R79 HydrophobicContact CB-CB 4.33Å; C75-C89 VanDerWaalsContact CA-SG 3.51Å; C75-C89 HydrophobicContact CB-CB 3.74Å; C75-C89 WeakPolarHBondContact CB-SG 3.45Å; C75-C89 WeakPolarHBondContact SG-CB 3.28Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 3.44Å; C75-A108 HydrophobicContact CB-CB 4.16Å |
| 76 | R | 94.6 | Very high | 93.9 | Very high | 183 Ų | 183 | 83.2 Ų | 83.2 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 162.8 | 172.1 | -61.6 | -175.6 | -178.1 | -174.7 | 0.2 | 111 | T74 N78 R79 | T74-R76 PolarHBondContact O-N 2.83Å; R76-N78 PolarHBondContact O-N 2.99Å; R76-R79 PolarHBondContact O-N 3.49Å; R76-R79 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 94.2 | Very high | 93.8 | Very high | 109 Ų | 109 | 82.6 Ų | 82.6 | 76% | 0.762 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 140.8 | 172.8 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | R79 | S77-R79 VanDerWaalsContact C-N 3.25Å; S77-R79 PolarHBondContact O-N 2.79Å |
| 78 | N | 93.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 87.1 Ų | 87.1 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 25.1 | -176.8 | -55 | -22.3 | 0 | 0 | 0 | 114.7 | R76 C92 | R76-N78 PolarHBondContact O-N 2.99Å; N78-C92 VanDerWaalsContact CA-SG 3.57Å; N78-C92 PolarHBondContact O-N 3.5Å; N78-C92 PolarHBondContact O-SG 3.33Å |
| 79 | R | 96.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 83.3 Ų | 83.3 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.9 | 169 | -63.4 | -177.8 | 171.3 | -114.6 | 0.1 | 111.8 | C75 R76 S77 C89 K90 C92 | C75-R79 HydrophobicContact CB-CB 4.33Å; R76-R79 PolarHBondContact O-N 3.49Å; R76-R79 VanDerWaalsContact O-N 3.13Å; S77-R79 VanDerWaalsContact C-N 3.25Å; S77-R79 PolarHBondContact O-N 2.79Å; R79-C89 HydrophobicContact CB-CB 3.74Å; R79-C89 PolarHBondContact NH1-O 2.88Å; R79-K90 CarbonylContact C-O 3.26Å; R79-K90 WeakPolarHBondContact CA-O 3.25Å; R79-K90 WeakPolarHBondContact CB-O 3.47Å; R79-C92 PolarHBondContact N-SG 3.4Å; R79-C92 VanDerWaalsContact N-SG 3.43Å |
| 80 | F | 96.5 | Very high | 94.4 | Very high | 19 Ų | 19 | 84.9 Ų | 84.9 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 158.4 | -179 | 80.2 | -79.4 | 0 | 0 | 0 | 113.2 | E82 C89 K90 P91 S107 A108 N111 | F80-E82 HydrophobicContact CD2-CG 4.07Å; F80-E82 HydrophobicContact CE2-CG 4.19Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.44Å; F80-C89 CarbonylContact O-C 3.06Å; F80-C89 WeakPolarHBondContact O-CA 3.03Å; F80-K90 HydrophobicContact CD1-CB 4.38Å; F80-K90 WeakPolarHBondContact CD1-O 3.44Å; F80-K90 HydrophobicContact CE1-CB 3.93Å; F80-K90 HydrophobicContact CZ-CB 4.26Å; F80-K90 PolarHBondContact N-O 3.37Å; F80-K90 PolarHBondContact O-N 3.41Å; F80-P91 WeakPolarHBondContact CE1-O 3.3Å; F80-S107 WeakPolarHBondContact CB-O 3.39Å; F80-A108 CarbonylContact C-O 3.6Å; F80-A108 WeakPolarHBondContact CA-O 3.45Å; F80-N111 HydrophobicContact CD1-CB 4.05Å; F80-N111 HydrophobicContact CD2-CB 3.98Å; F80-N111 VanDerWaalsContact CD2-N 3.25Å; F80-N111 HydrophobicContact CE1-CB 3.66Å; F80-N111 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N111 HydrophobicContact CE2-CB 3.58Å; F80-N111 HydrophobicContact CG-CB 4.2Å; F80-N111 HydrophobicContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CG 3.44Å |
| 81 | K | 96.8 | Very high | 94.6 | Very high | 15 Ų | 15 | 89.1 Ų | 89.1 | 7% | 0.065 | 44% | 0.437 | C | S | . | . | trans | -150.7 | 121.2 | 169.7 | 179.7 | 161.3 | 165.2 | -66.8 | 0 | 109.9 | C52 G53 P54 G55 M56 D83 Q87 A108 | C52-K81 PolarHBondContact O-NZ 3.25Å; G53-K81 PolarHBondContact O-NZ 2.87Å; P54-K81 CarbonylContact C-O 3.54Å; P54-K81 VanDerWaalsContact CA-O 3.25Å; P54-K81 WeakPolarHBondContact CA-O 3.46Å; G55-K81 PolarHBondContact N-O 2.04Å; M56-K81 WeakPolarHBondContact O-CD 3.48Å; M56-K81 PolarHBondContact O-NZ 3.28Å; K81-D83 WeakPolarHBondContact CE-O 3.46Å; K81-D83 WeakPolarHBondContact CG-O 2.97Å; K81-D83 PolarHBondContact NZ-O 3.26Å; K81-Q87 VanDerWaalsContact CD-O 3.26Å; K81-Q87 WeakPolarHBondContact CD-O 3.5Å; K81-Q87 WeakPolarHBondContact CE-O 3.19Å; K81-A108 PolarHBondContact N-O 2.88Å | ||
| 82 | E | 95.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 84.4 Ų | 84.4 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | trans | -89.4 | -35.5 | -175.1 | -77 | 162.9 | -161.5 | 0 | 0 | 112.6 | P54 F80 T109 N111 | P54-E82 WeakPolarHBondContact CB-O 3.41Å; P54-E82 VanDerWaalsContact CG-O 3.25Å; P54-E82 WeakPolarHBondContact CG-O 3.38Å; F80-E82 HydrophobicContact CD2-CG 4.07Å; F80-E82 HydrophobicContact CE2-CG 4.19Å; F80-E82 WeakPolarHBondContact CE2-OE1 3.44Å; E82-T109 WeakPolarHBondContact CA-O 3.32Å; E82-T109 WeakPolarHBondContact CG-O 2.95Å; E82-N111 PolarHBondContact OE1-N 2.77Å; E82-N111 VanDerWaalsContact OE1-N 3.11Å | ||
| 83 | D | 94.5 | Very high | 94.6 | Very high | 120 Ų | 120 | 85 Ų | 85 | 64% | 0.642 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -107.8 | 164.5 | -171.3 | -59.6 | -55 | 0 | 0 | 0 | 113.2 | K81 | K81-D83 WeakPolarHBondContact CE-O 3.46Å; K81-D83 WeakPolarHBondContact CG-O 2.97Å; K81-D83 PolarHBondContact NZ-O 3.26Å |
| 84 | W | 95.1 | Very high | 94.4 | Very high | 183 Ų | 183 | 84.6 Ų | 84.6 | 69% | 0.693 | 42% | 0.417 | S | S | * | . | trans | -71 | 142.5 | 165.6 | -75.1 | 82 | 0 | 0 | 0 | 111.1 | C52 | C52-W84 WeakPolarHBondContact O-CA 3.42Š| ||
| 85 | G | 91.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 80 Ų | 80 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | 156.8 | -172.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C52 | C52-G85 PolarHBondContact N-O 3.27Å; C52-G85 VanDerWaalsContact N-O 3.16Å; C52-G85 PolarHBondContact O-N 2.88Å |
| 86 | F | 89.4 | Confident | 94 | Very high | 49 Ų | 49 | 82.1 Ų | 82.1 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -87.2 | -12 | -179.8 | -53 | -76.9 | 0 | 0 | 0 | 113.7 | C49 Q51 | C49-F86 HydrophobicContact CB-CD1 3.94Å; C49-F86 HydrophobicContact CB-CE1 3.68Å; C49-F86 WeakPolarHBondContact O-CE1 2.99Å; Q51-F86 HydrophobicContact CB-CE1 4.46Å; Q51-F86 HydrophobicContact CG-CD1 3.71Å; Q51-F86 HydrophobicContact CG-CD2 4.09Å; Q51-F86 HydrophobicContact CG-CE1 3.27Å; Q51-F86 HydrophobicContact CG-CE2 3.68Å; Q51-F86 HydrophobicContact CG-CG 4.12Å; Q51-F86 HydrophobicContact CG-CZ 3.27Å; Q51-F86 VanDerWaalsContact NE2-CZ 3.28Å |
| 87 | Q | 89.6 | Confident | 93.8 | Very high | 142 Ų | 142 | 80.2 Ų | 80.2 | 66% | 0.664 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 141.6 | -176.9 | -58.7 | -62.1 | -31.3 | 0 | 0 | 110.6 | K81 | K81-Q87 VanDerWaalsContact CD-O 3.26Å; K81-Q87 WeakPolarHBondContact CD-O 3.5Å; K81-Q87 WeakPolarHBondContact CE-O 3.19Å |
| 88 | K | 92.3 | Very high | 93.6 | Very high | 109 Ų | 109 | 76.7 Ų | 76.7 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 161.6 | 173 | -64.2 | -179.7 | -178.5 | 166.6 | 0 | 111.4 | E61 K90 | E61-K88 WeakPolarHBondContact OE2-CE 2.86Å; E61-K88 IonicContact OE2-NZ 2.61Å; E61-K88 PolarHBondContact OE2-NZ 2.84Å; K88-K90 PolarHBondContact O-N 3.29Å |
| 89 | C | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 130.5 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 110 | E57 C75 R79 F80 | E57-C89 VanDerWaalsContact CB-SG 3.53Å; E57-C89 VanDerWaalsContact OE2-CB 3.28Å; E57-C89 WeakPolarHBondContact OE2-CB 3.26Å; E57-C89 PolarHBondContact OE2-N 2.85Å; E57-C89 PolarHBondContact OE2-SG 3.23Å; C75-C89 VanDerWaalsContact CA-SG 3.51Å; C75-C89 HydrophobicContact CB-CB 3.74Å; C75-C89 WeakPolarHBondContact CB-SG 3.45Å; C75-C89 WeakPolarHBondContact SG-CB 3.28Å; C75-C89 CovalentContact SG-SG 2.03Å; C75-C89 PolarHBondContact SG-SG 3.44Å; R79-C89 HydrophobicContact CB-CB 3.74Å; R79-C89 PolarHBondContact NH1-O 2.88Å; F80-C89 CarbonylContact O-C 3.06Å; F80-C89 WeakPolarHBondContact O-CA 3.03Å |
| 90 | K | 96.4 | Very high | 93.2 | Very high | 127 Ų | 127 | 68 Ų | 68 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 148.4 | -179 | -65.1 | 176.9 | -175.5 | 172.7 | 0 | 109.9 | R79 F80 K88 | R79-K90 CarbonylContact C-O 3.26Å; R79-K90 WeakPolarHBondContact CA-O 3.25Å; R79-K90 WeakPolarHBondContact CB-O 3.47Å; F80-K90 HydrophobicContact CD1-CB 4.38Å; F80-K90 WeakPolarHBondContact CD1-O 3.44Å; F80-K90 HydrophobicContact CE1-CB 3.93Å; F80-K90 HydrophobicContact CZ-CB 4.26Å; F80-K90 PolarHBondContact N-O 3.37Å; F80-K90 PolarHBondContact O-N 3.41Å; K88-K90 PolarHBondContact O-N 3.29Å |
| 91 | P | 96.1 | Very high | 93 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 140.1 | 172.8 | 27.7 | -33.9 | 0 | 0 | 0 | 110.3 | F80 | F80-P91 WeakPolarHBondContact CE1-O 3.3Å |
| 92 | C | 95.8 | Very high | 92.8 | Very high | 28 Ų | 28 | 76.2 Ų | 76.2 | 19% | 0.189 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 144 | 172.9 | -64.3 | 0 | 0 | 0 | 0 | 111 | N78 R79 C106 | N78-C92 VanDerWaalsContact CA-SG 3.57Å; N78-C92 PolarHBondContact O-N 3.5Å; N78-C92 PolarHBondContact O-SG 3.33Å; R79-C92 PolarHBondContact N-SG 3.4Å; R79-C92 VanDerWaalsContact N-SG 3.43Å; C92-C106 HydrophobicContact CB-CB 3.49Å; C92-C106 VanDerWaalsContact CB-CB 3.49Å; C92-C106 WeakPolarHBondContact CB-SG 3.08Å; C92-C106 WeakPolarHBondContact SG-CB 3.27Å; C92-C106 CovalentContact SG-SG 2Å; C92-C106 PolarHBondContact SG-SG 3.49Å |
| 93 | L | 93.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 132.2 | 168.6 | 179.2 | 62.6 | 0 | 0 | 0 | 109.6 | N111 A112 C114 | L93-N111 WeakPolarHBondContact CB-OD1 3.24Å; L93-N111 PolarHBondContact N-OD1 3.49Å; L93-A112 WeakPolarHBondContact O-CB 3.29Å; L93-C114 WeakPolarHBondContact CD2-SG 3.43Å |
| 94 | D | 93.3 | Very high | 92.7 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | trans | -98.4 | 113.7 | 168.6 | -174.9 | -10 | 0 | 0 | 0 | 109.3 | A96 L97 | D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 2.98Å; D94-A96 WeakPolarHBondContact OD1-CB 3.21Å; D94-A96 PolarHBondContact OD1-N 3.07Å; D94-L97 HydrophobicContact CB-CB 4.38Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.88Å; D94-L97 PolarHBondContact O-N 2.97Å | ||
| 95 | C | 92.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.014 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.7 | -179.1 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | L97 V98 N99 R100 Q102 C114 | C95-L97 VanDerWaalsContact C-N 3.33Å; C95-V98 WeakPolarHBondContact O-CG2 3.46Å; C95-V98 PolarHBondContact O-N 2.88Å; C95-N99 PolarHBondContact O-N 3.39Å; C95-R100 CarbonylContact C-O 3.57Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.15Å; C95-R100 PolarHBondContact O-N 3.05Å; C95-Q102 HydrophobicContact CB-CB 4.19Å; C95-C114 WeakPolarHBondContact CA-SG 3.5Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.31Å; C95-C114 WeakPolarHBondContact SG-CA 3.32Å; C95-C114 WeakPolarHBondContact SG-CB 3.37Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.78Å |
| 96 | A | 90.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 72 Ų | 72 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -67.2 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D94 V98 N99 | D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 2.98Å; D94-A96 WeakPolarHBondContact OD1-CB 3.21Å; D94-A96 PolarHBondContact OD1-N 3.07Å; A96-V98 PolarHBondContact O-N 3.46Å; A96-N99 PolarHBondContact O-N 3.03Å |
| 97 | L | 90.7 | Very high | 93.1 | Very high | 142 Ų | 142 | 71.8 Ų | 71.8 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -63.8 | -24 | 178 | -66.1 | -178 | 0 | 0 | 0 | 113.5 | D94 C95 | D94-L97 HydrophobicContact CB-CB 4.38Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.88Å; D94-L97 PolarHBondContact O-N 2.97Å; C95-L97 VanDerWaalsContact C-N 3.33Å |
| 98 | V | 90.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -104.7 | 17 | 175.9 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | C95 A96 R100 C135 | C95-V98 WeakPolarHBondContact O-CG2 3.46Å; C95-V98 PolarHBondContact O-N 2.88Å; A96-V98 PolarHBondContact O-N 3.46Å; V98-R100 HydrophobicContact CG2-CB 4.26Å; V98-R100 HydrophobicContact CG2-CG 4.22Å; V98-R100 PolarHBondContact O-N 3.17Å; V98-C135 WeakPolarHBondContact O-CB 3.26Å |
| 99 | N | 91 | Very high | 93.6 | Very high | 44 Ų | 44 | 65.3 Ų | 65.3 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 48.4 | -179.1 | -53 | -61.4 | 0 | 0 | 0 | 113.3 | C95 A96 C117 L118 F121 C135 | C95-N99 PolarHBondContact O-N 3.39Å; A96-N99 PolarHBondContact O-N 3.03Å; N99-C117 CarbonylContact O-C 3.48Å; N99-C117 WeakPolarHBondContact O-CA 3.32Å; N99-L118 HydrophobicContact CB-CD1 4.46Å; N99-L118 PolarHBondContact O-N 3.34Å; N99-F121 HydrophobicContact CB-CB 4.23Å; N99-F121 HydrophobicContact CB-CD1 3.55Å; N99-F121 HydrophobicContact CB-CD2 3.92Å; N99-F121 HydrophobicContact CB-CE1 3.81Å; N99-F121 HydrophobicContact CB-CE2 4.15Å; N99-F121 HydrophobicContact CB-CG 3.63Å; N99-F121 HydrophobicContact CB-CZ 4.1Å; N99-F121 VanDerWaalsContact CG-CD1 3.49Å; N99-F121 WeakPolarHBondContact ND2-CD1 3.33Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.35Å; N99-F121 WeakPolarHBondContact OD1-CE1 3.36Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.39Å; N99-C135 HydrophobicContact CB-CB 4Å; N99-C135 PolarHBondContact ND2-O 3.48Å |
| 100 | R | 91.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 4% | 0.038 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.5 | 178.6 | -71.2 | 177.9 | 179.9 | -98.2 | -4 | 113.2 | C95 V98 C114 G115 D116 D132 M133 C135 | C95-R100 CarbonylContact C-O 3.57Å; C95-R100 HydrophobicContact CB-CB 4.37Å; C95-R100 WeakPolarHBondContact CB-O 3.15Å; C95-R100 PolarHBondContact O-N 3.05Å; V98-R100 HydrophobicContact CG2-CB 4.26Å; V98-R100 HydrophobicContact CG2-CG 4.22Å; V98-R100 PolarHBondContact O-N 3.17Å; R100-C114 HydrophobicContact CB-CB 4.03Å; R100-G115 WeakPolarHBondContact CD-O 3.26Å; R100-G115 PolarHBondContact NH1-O 3.01Å; R100-D116 WeakPolarHBondContact CA-O 3.31Å; R100-D132 PolarHBondContact NH2-O 2.02Å; R100-M133 PolarHBondContact NE-O 2.93Å; R100-M133 PolarHBondContact NH2-O 2.97Å; R100-M133 VanDerWaalsContact NH2-O 3.12Å; R100-C135 WeakPolarHBondContact CG-SG 3.03Å |
| 101 | F | 90.9 | Very high | 93.5 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.8 | 168.9 | -71.1 | -75.3 | 0 | 0 | 0 | 111.6 | K103 G115 D116 L118 P119 | F101-K103 PolarHBondContact O-N 2.84Å; F101-G115 PolarHBondContact O-N 2.92Å; F101-D116 PolarHBondContact N-O 2.98Å; F101-L118 HydrophobicContact CD1-CD2 3.66Å; F101-L118 HydrophobicContact CD2-CD2 3.98Å; F101-L118 HydrophobicContact CE1-CD2 3.59Å; F101-L118 HydrophobicContact CE2-CD2 3.91Å; F101-L118 HydrophobicContact CG-CD2 3.87Å; F101-L118 HydrophobicContact CZ-CD2 3.73Å; F101-P119 HydrophobicContact CZ-CG 4.28Å |
| 102 | Q | 93.4 | Very high | 93.4 | Very high | 100 Ų | 100 | 59 Ų | 59 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.8 | 170.9 | -172.2 | 168.5 | 31.6 | 0 | 0 | 109.6 | C95 A104 N105 | C95-Q102 HydrophobicContact CB-CB 4.19Å; Q102-A104 WeakPolarHBondContact CG-O 3.15Å; Q102-N105 PolarHBondContact OE1-OD1 2.81Å |
| 103 | K | 93.9 | Very high | 93.3 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | -33.5 | 176.3 | -76.5 | -177.3 | 172.8 | 164.3 | 0 | 112 | F101 L113 G115 D116 | F101-K103 PolarHBondContact O-N 2.84Å; K103-L113 PolarHBondContact N-O 3.29Å; K103-G115 VanDerWaalsContact CD-CA 3.42Å; K103-D116 IonicContact NZ-OD2 3.17Å; K103-D116 PolarHBondContact NZ-OD2 3.18Å |
| 104 | A | 93.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q102 A112 L113 | Q102-A104 WeakPolarHBondContact CG-O 3.15Å; A104-A112 WeakPolarHBondContact O-CA 3.39Å; A104-L113 HydrophobicContact CB-CB 3.86Å; A104-L113 HydrophobicContact CB-CD1 3.94Å; A104-L113 HydrophobicContact CB-CG 4.01Å; A104-L113 PolarHBondContact N-O 2.97Å; A104-L113 PolarHBondContact O-N 2.89Å; A104-L113 VanDerWaalsContact O-N 3.12Å |
| 105 | N | 94.2 | Very high | 93.1 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 65% | 0.647 | 33% | 0.326 | S | S | * | . | trans | -71.4 | 150.3 | 175.7 | -66.2 | -17.8 | 0 | 0 | 0 | 110.3 | Q102 | Q102-N105 PolarHBondContact OE1-OD1 2.81Š| ||
| 106 | C | 95.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | trans | -68.3 | 144.5 | 171.4 | -163 | 0 | 0 | 0 | 0 | 110.6 | C92 S110 A112 | C92-C106 HydrophobicContact CB-CB 3.49Å; C92-C106 VanDerWaalsContact CB-CB 3.49Å; C92-C106 WeakPolarHBondContact CB-SG 3.08Å; C92-C106 WeakPolarHBondContact SG-CB 3.27Å; C92-C106 CovalentContact SG-SG 2Å; C92-C106 PolarHBondContact SG-SG 3.49Å; C106-S110 PolarHBondContact SG-O 2.94Å; C106-S110 VanDerWaalsContact SG-O 3.33Å; C106-A112 HydrophobicContact CB-CB 4.09Å | ||
| 107 | S | 95.4 | Very high | 92.9 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 170.5 | 173.1 | 77.7 | 0 | 0 | 0 | 0 | 109.8 | F80 T109 S110 | F80-S107 WeakPolarHBondContact CB-O 3.39Å; S107-T109 PolarHBondContact O-N 2.61Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 PolarHBondContact OG-OG1 3.48Å; S107-S110 PolarHBondContact N-O 2.95Å; S107-S110 PolarHBondContact O-N 3.45Å; S107-S110 PolarHBondContact OG-N 3.1Å; S107-S110 PolarHBondContact OG-OG 2.97Å |
| 108 | A | 96.1 | Very high | 92.8 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G55 C75 F80 K81 | G55-A108 WeakPolarHBondContact CA-O 3.37Å; C75-A108 HydrophobicContact CB-CB 4.16Å; F80-A108 CarbonylContact C-O 3.6Å; F80-A108 WeakPolarHBondContact CA-O 3.45Å; K81-A108 PolarHBondContact N-O 2.88Å |
| 109 | T | 96.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9 | -173.9 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | P54 E82 S107 | P54-T109 HydrophobicContact CB-CG2 4.11Å; E82-T109 WeakPolarHBondContact CA-O 3.32Å; E82-T109 WeakPolarHBondContact CG-O 2.95Å; S107-T109 PolarHBondContact O-N 2.61Å; S107-T109 PolarHBondContact OG-N 2.89Å; S107-T109 PolarHBondContact OG-OG1 3.48Å |
| 110 | S | 94.9 | Very high | 92.1 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -152.1 | 145.3 | -173.6 | 68.1 | 0 | 0 | 0 | 0 | 112.5 | C106 S107 | C106-S110 PolarHBondContact SG-O 2.94Å; C106-S110 VanDerWaalsContact SG-O 3.33Å; S107-S110 PolarHBondContact N-O 2.95Å; S107-S110 PolarHBondContact O-N 3.45Å; S107-S110 PolarHBondContact OG-N 3.1Å; S107-S110 PolarHBondContact OG-OG 2.97Å |
| 111 | N | 95.8 | Very high | 91.9 | Very high | 40 Ų | 40 | 60 Ų | 60 | 21% | 0.214 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 164 | 174.6 | -154.4 | -0.2 | 0 | 0 | 0 | 112.6 | F80 E82 L93 | F80-N111 HydrophobicContact CD1-CB 4.05Å; F80-N111 HydrophobicContact CD2-CB 3.98Å; F80-N111 VanDerWaalsContact CD2-N 3.25Å; F80-N111 HydrophobicContact CE1-CB 3.66Å; F80-N111 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N111 HydrophobicContact CE2-CB 3.58Å; F80-N111 HydrophobicContact CG-CB 4.2Å; F80-N111 HydrophobicContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CB 3.41Å; F80-N111 VanDerWaalsContact CZ-CG 3.44Å; E82-N111 PolarHBondContact OE1-N 2.77Å; E82-N111 VanDerWaalsContact OE1-N 3.11Å; L93-N111 WeakPolarHBondContact CB-OD1 3.24Å; L93-N111 PolarHBondContact N-OD1 3.49Å | ||
| 112 | A | 94.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | trans | -65.2 | 143.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L93 A104 C106 | L93-A112 WeakPolarHBondContact O-CB 3.29Å; A104-A112 WeakPolarHBondContact O-CA 3.39Å; C106-A112 HydrophobicContact CB-CB 4.09Å | ||
| 113 | L | 93.3 | Very high | 90.8 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 58% | 0.581 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.2 | 175.6 | -61.6 | 177.2 | 0 | 0 | 0 | 109.8 | K103 A104 | K103-L113 PolarHBondContact N-O 3.29Å; A104-L113 HydrophobicContact CB-CB 3.86Å; A104-L113 HydrophobicContact CB-CD1 3.94Å; A104-L113 HydrophobicContact CB-CG 4.01Å; A104-L113 PolarHBondContact N-O 2.97Å; A104-L113 PolarHBondContact O-N 2.89Å; A104-L113 VanDerWaalsContact O-N 3.12Å |
| 114 | C | 93 | Very high | 89.9 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.1 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | L93 C95 R100 M133 | L93-C114 WeakPolarHBondContact CD2-SG 3.43Å; C95-C114 WeakPolarHBondContact CA-SG 3.5Å; C95-C114 HydrophobicContact CB-CB 3.82Å; C95-C114 WeakPolarHBondContact CB-SG 3.31Å; C95-C114 WeakPolarHBondContact SG-CA 3.32Å; C95-C114 WeakPolarHBondContact SG-CB 3.37Å; C95-C114 CovalentContact SG-SG 2.04Å; C95-C114 PolarHBondContact SG-SG 2.78Å; R100-C114 HydrophobicContact CB-CB 4.03Å; C114-M133 HydrophobicContact CB-CE 4.34Å |
| 115 | G | 90.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -138.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R100 F101 K103 | R100-G115 WeakPolarHBondContact CD-O 3.26Å; R100-G115 PolarHBondContact NH1-O 3.01Å; F101-G115 PolarHBondContact O-N 2.92Å; K103-G115 VanDerWaalsContact CD-CA 3.42Å |
| 116 | D | 88.1 | Confident | 87.6 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 161 | -176.6 | -54.5 | -64.7 | 0 | 0 | 0 | 111.2 | R100 F101 K103 | R100-D116 WeakPolarHBondContact CA-O 3.31Å; F101-D116 PolarHBondContact N-O 2.98Å; K103-D116 IonicContact NZ-OD2 3.17Å; K103-D116 PolarHBondContact NZ-OD2 3.18Å |
| 117 | C | 89.2 | Confident | 86.1 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 14% | 0.142 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 146.3 | 178.7 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | N99 F121 C135 | N99-C117 CarbonylContact O-C 3.48Å; N99-C117 WeakPolarHBondContact O-CA 3.32Å; C117-F121 HydrophobicContact CB-CB 4.17Å; C117-F121 WeakPolarHBondContact CB-O 3.06Å; C117-C135 WeakPolarHBondContact CA-SG 3.47Å; C117-C135 HydrophobicContact CB-CB 3.75Å; C117-C135 WeakPolarHBondContact CB-SG 3.36Å; C117-C135 WeakPolarHBondContact SG-CB 3.32Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 3.34Å |
| 118 | L | 88.6 | Confident | 84.7 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 156.2 | 172.2 | -67.5 | 175.6 | 0 | 0 | 0 | 110.6 | N99 F101 G120 F121 | N99-L118 HydrophobicContact CB-CD1 4.46Å; N99-L118 PolarHBondContact O-N 3.34Å; F101-L118 HydrophobicContact CD1-CD2 3.66Å; F101-L118 HydrophobicContact CD2-CD2 3.98Å; F101-L118 HydrophobicContact CE1-CD2 3.59Å; F101-L118 HydrophobicContact CE2-CD2 3.91Å; F101-L118 HydrophobicContact CG-CD2 3.87Å; F101-L118 HydrophobicContact CZ-CD2 3.73Å; L118-G120 PolarHBondContact O-N 3.29Å; L118-F121 HydrophobicContact CB-CD2 4.07Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 2.8Å |
| 119 | P | 86 | Confident | 83 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 136 | 175.2 | -24.8 | 34.8 | 0 | 0 | 0 | 111.8 | F101 F121 | F101-P119 HydrophobicContact CZ-CG 4.28Å; P119-F121 VanDerWaalsContact C-N 3.3Å |
| 120 | G | 81.4 | Confident | 81.2 | Confident | 34 Ų | 34 | 71 Ų | 71 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 3.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L118 C138 | L118-G120 PolarHBondContact O-N 3.29Å; G120-C138 WeakPolarHBondContact O-CB 3.47Å; G120-C138 PolarHBondContact O-N 3.47Å; G120-C138 PolarHBondContact O-SG 2.98Å |
| 121 | F | 85.7 | Confident | 79.6 | Confident | 49 Ų | 49 | 74 Ų | 74 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.1 | 171.1 | -59.9 | -98.8 | 0 | 0 | 0 | 110.6 | N99 C117 L118 P119 C135 V136 P137 | N99-F121 HydrophobicContact CB-CB 4.23Å; N99-F121 HydrophobicContact CB-CD1 3.55Å; N99-F121 HydrophobicContact CB-CD2 3.92Å; N99-F121 HydrophobicContact CB-CE1 3.81Å; N99-F121 HydrophobicContact CB-CE2 4.15Å; N99-F121 HydrophobicContact CB-CG 3.63Å; N99-F121 HydrophobicContact CB-CZ 4.1Å; N99-F121 VanDerWaalsContact CG-CD1 3.49Å; N99-F121 WeakPolarHBondContact ND2-CD1 3.33Å; N99-F121 WeakPolarHBondContact ND2-CE1 3.35Å; N99-F121 WeakPolarHBondContact OD1-CE1 3.36Å; N99-F121 WeakPolarHBondContact OD1-CZ 3.39Å; C117-F121 HydrophobicContact CB-CB 4.17Å; C117-F121 WeakPolarHBondContact CB-O 3.06Å; L118-F121 HydrophobicContact CB-CD2 4.07Å; L118-F121 WeakPolarHBondContact O-CB 3.32Å; L118-F121 PolarHBondContact O-N 2.8Å; P119-F121 VanDerWaalsContact C-N 3.3Å; F121-C135 HydrophobicContact CB-CB 3.9Å; F121-V136 CarbonylContact C-O 3.59Å; F121-V136 VanDerWaalsContact CA-O 3.26Å; F121-V136 WeakPolarHBondContact CA-O 3.43Å; F121-P137 HydrophobicContact CD1-CB 3.98Å; F121-P137 HydrophobicContact CE1-CB 3.77Å; F121-P137 HydrophobicContact CE1-CG 4.42Å |
| 122 | Y | 81 | Confident | 78.3 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 15% | 0.153 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 159 | 178.7 | 74.7 | -81.7 | 0 | 0 | 0 | 111.6 | K124 C135 V136 E146 | Y122-K124 HydrophobicContact CE2-CB 4.49Å; Y122-C135 CarbonylContact O-C 3.51Å; Y122-C135 WeakPolarHBondContact O-CA 3.32Å; Y122-V136 HydrophobicContact CD1-CB 4.33Å; Y122-V136 WeakPolarHBondContact CD1-O 3.34Å; Y122-V136 HydrophobicContact CE1-CB 3.85Å; Y122-V136 HydrophobicContact CE1-CG1 3.88Å; Y122-V136 PolarHBondContact N-O 3.38Å; Y122-V136 PolarHBondContact O-N 3.44Å; Y122-E146 HydrophobicContact CD1-CG 4.47Å; Y122-E146 VanDerWaalsContact CD2-CD 3.44Å; Y122-E146 HydrophobicContact CD2-CG 3.74Å; Y122-E146 HydrophobicContact CG-CG 3.63Å |
| 123 | R | 81.3 | Confident | 77.2 | Confident | 74 Ų | 74 | 77.7 Ų | 77.7 | 28% | 0.279 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.1 | -177.2 | -168.9 | 177.6 | -163.8 | -177.2 | -6.2 | 110 | Q131 D132 | R123-Q131 PolarHBondContact NH2-O 2.82Å; R123-D132 PolarHBondContact NE-O 3.45Å; R123-D132 PolarHBondContact NH2-O 2.58Å |
| 124 | K | 74.8 | Confident | 76.6 | Confident | 127 Ų | 127 | 78.2 Ų | 78.2 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.3 | 173.1 | -163.3 | 172.6 | -178.3 | 177.9 | 0 | 110.3 | Y122 D132 V136 | Y122-K124 HydrophobicContact CE2-CB 4.49Å; K124-D132 WeakPolarHBondContact O-CB 3.39Å; K124-D132 PolarHBondContact O-N 2.95Å; K124-V136 HydrophobicContact CB-CG2 4.24Å |
| 125 | T | 70.8 | Confident | 76.4 | Confident | 97 Ų | 97 | 77.1 Ų | 77.1 | 60% | 0.595 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.4 | 167.4 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 126 | K | 69.3 | Low | 76.2 | Confident | 104 Ų | 104 | 79 Ų | 79 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 151.7 | 171.3 | -64.6 | -164.3 | -179.8 | -180 | 0 | 110.1 | G128 G129 F130 D132 | K126-G128 PolarHBondContact O-N 2.86Å; K126-G129 PolarHBondContact O-N 2.9Å; K126-F130 WeakPolarHBondContact CB-O 3.38Å; K126-F130 PolarHBondContact N-O 2.05Å; K126-D132 WeakPolarHBondContact CE-OD1 3.39Å; K126-D132 WeakPolarHBondContact CE-OD2 3.1Å; K126-D132 HydrophobicContact CG-CB 4.18Å; K126-D132 IonicContact NZ-OD1 3.5Å; K126-D132 PolarHBondContact NZ-OD1 3.1Å; K126-D132 VanDerWaalsContact NZ-OD1 3.17Å; K126-D132 IonicContact NZ-OD2 2.96Å; K126-D132 PolarHBondContact NZ-OD2 3.33Å |
| 127 | L | 61.9 | Low | 76.1 | Confident | 187 Ų | 187 | 78.1 Ų | 78.1 | 98% | 0.979 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 105.9 | 166.5 | -101.6 | 69.1 | 0 | 0 | 0 | 107.7 | ||
| 128 | G | 66.3 | Low | 75.8 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 83% | 0.825 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.4 | -0.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K126 F130 | K126-G128 PolarHBondContact O-N 2.86Å; G128-F130 PolarHBondContact O-N 2.89Å |
| 129 | G | 62.1 | Low | 75 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 76.9 | -0.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K126 Q131 | K126-G129 PolarHBondContact O-N 2.9Å; G129-Q131 PolarHBondContact O-N 2.78Å |
| 130 | F | 57.9 | Low | 73.7 | Confident | 153 Ų | 153 | 82 Ų | 82 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 123.9 | 170.4 | -161.1 | -97.8 | 0 | 0 | 0 | 109.2 | K126 G128 D132 | K126-F130 WeakPolarHBondContact CB-O 3.38Å; K126-F130 PolarHBondContact N-O 2.05Å; G128-F130 PolarHBondContact O-N 2.89Å; F130-D132 PolarHBondContact O-N 3.07Å |
| 131 | Q | 61.6 | Low | 72.8 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 118.1 | -176 | -59.2 | -177.4 | -26.6 | 0 | 0 | 109.5 | R123 G129 | R123-Q131 PolarHBondContact NH2-O 2.82Å; G129-Q131 PolarHBondContact O-N 2.78Å |
| 132 | D | 66.9 | Low | 71.6 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.193 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 145.5 | -178.3 | -149 | -8 | 0 | 0 | 0 | 111.1 | R100 R123 K124 K126 F130 E134 | R100-D132 PolarHBondContact NH2-O 2.02Å; R123-D132 PolarHBondContact NE-O 3.45Å; R123-D132 PolarHBondContact NH2-O 2.58Å; K124-D132 WeakPolarHBondContact O-CB 3.39Å; K124-D132 PolarHBondContact O-N 2.95Å; K126-D132 WeakPolarHBondContact CE-OD1 3.39Å; K126-D132 WeakPolarHBondContact CE-OD2 3.1Å; K126-D132 HydrophobicContact CG-CB 4.18Å; K126-D132 IonicContact NZ-OD1 3.5Å; K126-D132 PolarHBondContact NZ-OD1 3.1Å; K126-D132 VanDerWaalsContact NZ-OD1 3.17Å; K126-D132 IonicContact NZ-OD2 2.96Å; K126-D132 PolarHBondContact NZ-OD2 3.33Å; F130-D132 PolarHBondContact O-N 3.07Å; D132-E134 VanDerWaalsContact C-N 3.27Å |
| 133 | M | 72.1 | Confident | 70.6 | Confident | 85 Ų | 85 | 87 Ų | 87 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -18.2 | 171.6 | -76.9 | -62.2 | -70 | 0 | 0 | 111 | R100 C114 | R100-M133 PolarHBondContact NE-O 2.93Å; R100-M133 PolarHBondContact NH2-O 2.97Å; R100-M133 VanDerWaalsContact NH2-O 3.12Å; C114-M133 HydrophobicContact CB-CE 4.34Å |
| 134 | E | 81.3 | Confident | 69.6 | Low | 122 Ų | 122 | 89.1 Ų | 89.1 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133 | 175.4 | -165.8 | 170.6 | -176.1 | 0 | 0 | 111.5 | D132 | D132-E134 VanDerWaalsContact C-N 3.27Å |
| 135 | C | 87.3 | Confident | 68.8 | Low | 2 Ų | 2 | 92.9 Ų | 92.9 | 1% | 0.014 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.5 | 172.9 | -67 | 0 | 0 | 0 | 0 | 108.9 | V98 N99 R100 C117 F121 Y122 | V98-C135 WeakPolarHBondContact O-CB 3.26Å; N99-C135 HydrophobicContact CB-CB 4Å; N99-C135 PolarHBondContact ND2-O 3.48Å; R100-C135 WeakPolarHBondContact CG-SG 3.03Å; C117-C135 WeakPolarHBondContact CA-SG 3.47Å; C117-C135 HydrophobicContact CB-CB 3.75Å; C117-C135 WeakPolarHBondContact CB-SG 3.36Å; C117-C135 WeakPolarHBondContact SG-CB 3.32Å; C117-C135 CovalentContact SG-SG 2.04Å; C117-C135 PolarHBondContact SG-SG 3.34Å; F121-C135 HydrophobicContact CB-CB 3.9Å; Y122-C135 CarbonylContact O-C 3.51Å; Y122-C135 WeakPolarHBondContact O-CA 3.32Å |
| 136 | V | 86.4 | Confident | 68.4 | Low | 45 Ų | 45 | 90.6 Ų | 90.6 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.1 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | F121 Y122 K124 | F121-V136 CarbonylContact C-O 3.59Å; F121-V136 VanDerWaalsContact CA-O 3.26Å; F121-V136 WeakPolarHBondContact CA-O 3.43Å; Y122-V136 HydrophobicContact CD1-CB 4.33Å; Y122-V136 WeakPolarHBondContact CD1-O 3.34Å; Y122-V136 HydrophobicContact CE1-CB 3.85Å; Y122-V136 HydrophobicContact CE1-CG1 3.88Å; Y122-V136 PolarHBondContact N-O 3.38Å; Y122-V136 PolarHBondContact O-N 3.44Å; K124-V136 HydrophobicContact CB-CG2 4.24Å |
| 137 | P | 85.9 | Confident | 68 | Low | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 142.2 | 175.6 | 25.7 | -33.9 | 0 | 0 | 0 | 110.9 | F121 | F121-P137 HydrophobicContact CD1-CB 3.98Å; F121-P137 HydrophobicContact CE1-CB 3.77Å; F121-P137 HydrophobicContact CE1-CG 4.42Å |
| 138 | C | 82.6 | Confident | 68 | Low | 34 Ų | 34 | 86.2 Ų | 86.2 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 133.6 | 169.4 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | G120 C149 | G120-C138 WeakPolarHBondContact O-CB 3.47Å; G120-C138 PolarHBondContact O-N 3.47Å; G120-C138 PolarHBondContact O-SG 2.98Å; C138-C149 HydrophobicContact CB-CB 3.73Å; C138-C149 WeakPolarHBondContact CB-SG 3.2Å; C138-C149 WeakPolarHBondContact SG-CA 3.39Å; C138-C149 WeakPolarHBondContact SG-CB 3.25Å; C138-C149 CovalentContact SG-SG 2.02Å; C138-C149 PolarHBondContact SG-SG 2.9Å |
| 139 | G | 71.6 | Confident | 67.9 | Low | 39 Ų | 39 | 83.2 Ų | 83.2 | 40% | 0.402 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 165.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P141 P142 | G139-P141 CarbonylContact O-C 3.45Å; G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.49Å |
| 140 | D | 59.9 | Low | 67.9 | Low | 170 Ų | 170 | 85.2 Ų | 85.2 | 91% | 0.909 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -106.2 | 111.3 | 168.8 | -73.1 | -40.7 | 0 | 0 | 0 | 109.5 | ||
| 141 | P | 62.3 | Low | 67.9 | Low | 120 Ų | 120 | 81.8 Ų | 81.8 | 78% | 0.779 | 46% | 0.458 | S | S | * | . | S | Bend | cis | -79.7 | 153.2 | 2.3 | 32.4 | -34.7 | 0 | 0 | 0 | 113.6 | G139 | G139-P141 CarbonylContact O-C 3.45Š|
| 142 | P | 60.4 | Low | 67.4 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 38% | 0.377 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 144.5 | -178.7 | 25.7 | -33.9 | 0 | 0 | 0 | 111 | G139 C149 | G139-P142 VanDerWaalsContact O-CA 3.26Å; G139-P142 WeakPolarHBondContact O-CA 3.49Å; P142-C149 HydrophobicContact CB-CB 3.65Å |
| 143 | P | 60.3 | Low | 66.5 | Low | 50 Ų | 50 | 88.3 Ų | 88.3 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 130.8 | 174.6 | -19.6 | 29.3 | 0 | 0 | 0 | 109.8 | Y145 E146 | P143-Y145 PolarHBondContact O-N 2.8Å; P143-E146 HydrophobicContact CB-CB 4.48Å; P143-E146 PolarHBondContact O-N 3.26Å |
| 144 | P | 59.4 | Low | 65 | Low | 117 Ų | 117 | 91.4 Ų | 91.4 | 76% | 0.76 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6.3 | -173.2 | 18.9 | -28.8 | 0 | 0 | 0 | 115 | ||
| 145 | Y | 58.3 | Low | 63.5 | Low | 207 Ų | 207 | 92.5 Ų | 92.5 | 81% | 0.812 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 10 | -174.9 | -58.3 | -73.3 | 0 | 0 | 0 | 114.1 | P143 | P143-Y145 PolarHBondContact O-N 2.8Š|
| 146 | E | 62.9 | Low | 61.4 | Low | 48 Ų | 48 | 98 Ų | 98 | 22% | 0.224 | 55% | 0.551 | C | S | . | * | trans | -114.2 | 103 | -174.9 | -155.4 | 73.4 | -150.2 | 0 | 0 | 112.2 | Y122 P143 H148 C149 T150 | Y122-E146 HydrophobicContact CD1-CG 4.47Å; Y122-E146 VanDerWaalsContact CD2-CD 3.44Å; Y122-E146 HydrophobicContact CD2-CG 3.74Å; Y122-E146 HydrophobicContact CG-CG 3.63Å; P143-E146 HydrophobicContact CB-CB 4.48Å; P143-E146 PolarHBondContact O-N 3.26Å; E146-H148 PolarHBondContact O-N 3.07Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.46Å; E146-C149 VanDerWaalsContact O-N 3.11Å; E146-T150 PolarHBondContact O-OG1 3.3Å | ||
| 147 | P | 60.7 | Low | 59.2 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 60% | 0.597 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -62.6 | -29 | -173.6 | 24.2 | -33.1 | 0 | 0 | 0 | 112.8 | C149 T150 | P147-C149 VanDerWaalsContact C-N 3.29Å; P147-C149 PolarHBondContact O-N 3Å; P147-T150 WeakPolarHBondContact O-CB 3.11Å; P147-T150 PolarHBondContact O-N 3.47Å; P147-T150 VanDerWaalsContact O-N 3.15Å; P147-T150 PolarHBondContact O-OG1 3.41Å |
| 148 | H | 61.3 | Low | 57.2 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -68.8 | -24.4 | 178.9 | -60.9 | -63.8 | 0 | 0 | 0 | 113.8 | E146 T150 T151 | E146-H148 PolarHBondContact O-N 3.07Å; H148-T150 VanDerWaalsContact C-N 3.34Å; H148-T151 PolarHBondContact O-OG1 3.37Å |
| 149 | C | 65.6 | Low | 55.1 | Low | 17 Ų | 17 | 110.3 Ų | 110.3 | 12% | 0.115 | 61% | 0.605 | C | S | . | * | G | 310 helix | trans | -89.3 | -2.5 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | C138 P142 E146 P147 T151 | C138-C149 HydrophobicContact CB-CB 3.73Å; C138-C149 WeakPolarHBondContact CB-SG 3.2Å; C138-C149 WeakPolarHBondContact SG-CA 3.39Å; C138-C149 WeakPolarHBondContact SG-CB 3.25Å; C138-C149 CovalentContact SG-SG 2.02Å; C138-C149 PolarHBondContact SG-SG 2.9Å; P142-C149 HydrophobicContact CB-CB 3.65Å; E146-C149 HydrophobicContact CB-CB 4.41Å; E146-C149 PolarHBondContact O-N 3.46Å; E146-C149 VanDerWaalsContact O-N 3.11Å; P147-C149 VanDerWaalsContact C-N 3.29Å; P147-C149 PolarHBondContact O-N 3Å; C149-T151 PolarHBondContact O-N 2.94Å |
| 150 | T | 61.3 | Low | 53.5 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | trans | -92.3 | 27.5 | -179.6 | -35 | 0 | 0 | 0 | 0 | 111.5 | E146 P147 H148 K152 | E146-T150 PolarHBondContact O-OG1 3.3Å; P147-T150 WeakPolarHBondContact O-CB 3.11Å; P147-T150 PolarHBondContact O-N 3.47Å; P147-T150 VanDerWaalsContact O-N 3.15Å; P147-T150 PolarHBondContact O-OG1 3.41Å; H148-T150 VanDerWaalsContact C-N 3.34Å; T150-K152 PolarHBondContact O-N 3.32Å | ||
| 151 | T | 57 | Low | 52.6 | Low | 82 Ų | 82 | 112 Ų | 112 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | trans | -75.2 | 69.3 | 177 | -53.9 | 0 | 0 | 0 | 0 | 109.1 | H148 C149 V153 | H148-T151 PolarHBondContact O-OG1 3.37Å; C149-T151 PolarHBondContact O-N 2.94Å; T151-V153 HydrophobicContact CG2-CG1 3.95Å; T151-V153 HydrophobicContact CG2-CG2 4.45Å; T151-V153 PolarHBondContact O-N 2.88Å | ||
| 152 | K | 51.8 | Low | 51.7 | Low | 187 Ų | 187 | 110.5 Ų | 110.5 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | trans | -71.2 | 70.5 | 157.5 | -148.4 | -176.6 | -167.5 | -178.3 | 0 | 106.2 | T150 N154 | T150-K152 PolarHBondContact O-N 3.32Å; K152-N154 PolarHBondContact O-N 2.95Å | ||
| 153 | V | 48.2 | Very low | 51.1 | Low | 92 Ų | 92 | 112.1 Ų | 112.1 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | trans | -54.3 | 129.1 | 149.6 | -81.8 | 0 | 0 | 0 | 0 | 104.5 | T151 L155 | T151-V153 HydrophobicContact CG2-CG1 3.95Å; T151-V153 HydrophobicContact CG2-CG2 4.45Å; T151-V153 PolarHBondContact O-N 2.88Å; V153-L155 HydrophobicContact CB-CD1 4.45Å; V153-L155 HydrophobicContact CG2-CD1 3.57Å; V153-L155 PolarHBondContact O-N 3.06Å | ||
| 154 | N | 41 | Very low | 50.8 | Low | 150 Ų | 150 | 112 Ų | 112 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | trans | -61.9 | 77.7 | 167.5 | -79.3 | -75.4 | 0 | 0 | 0 | 106.9 | K152 V156 | K152-N154 PolarHBondContact O-N 2.95Å; N154-V156 PolarHBondContact O-N 3.47Å | ||
| 155 | L | 48.4 | Very low | 50.7 | Low | 145 Ų | 145 | 111.6 Ų | 111.6 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | trans | -58.3 | 92.8 | 147.4 | -100.8 | 75.3 | 0 | 0 | 0 | 102.6 | V153 K157 | V153-L155 HydrophobicContact CB-CD1 4.45Å; V153-L155 HydrophobicContact CG2-CD1 3.57Å; V153-L155 PolarHBondContact O-N 3.06Å; L155-K157 PolarHBondContact O-N 3.31Å | ||
| 156 | V | 44.1 | Very low | 50.6 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 72% | 0.715 | 62% | 0.622 | S | S | * | * | trans | -45.2 | 109.4 | 151 | 171.2 | 0 | 0 | 0 | 0 | 103.3 | N154 I158 | N154-V156 PolarHBondContact O-N 3.47Å; V156-I158 PolarHBondContact O-N 3.49Å | ||
| 157 | K | 40.8 | Very low | 50.3 | Low | 182 Ų | 182 | 113.1 Ų | 113.1 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | trans | -61.8 | 86.2 | 172.3 | -177.1 | 175.2 | -175.2 | 172.6 | 0 | 104.5 | L155 P159 | L155-K157 PolarHBondContact O-N 3.31Å; K157-P159 VanDerWaalsContact O-CD 3.28Å; K157-P159 WeakPolarHBondContact O-CD 3.14Å | ||
| 158 | I | 42.9 | Very low | 50.5 | Low | 134 Ų | 134 | 113.1 Ų | 113.1 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | trans | -53.4 | 117 | 156.9 | -54.8 | 175.9 | 0 | 0 | 0 | 101.7 | V156 S160 | V156-I158 PolarHBondContact O-N 3.49Å; I158-S160 PolarHBondContact O-N 2.97Å | ||
| 159 | P | 38.7 | Very low | 50.9 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 66% | 0.656 | 63% | 0.632 | S | S | * | * | trans | -53.4 | 112 | 178.3 | -18.3 | 28.9 | 0 | 0 | 0 | 104.9 | K157 T161 | K157-P159 VanDerWaalsContact O-CD 3.28Å; K157-P159 WeakPolarHBondContact O-CD 3.14Å; P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.47Å | ||
| 160 | S | 37.9 | Very low | 51.4 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | -53.2 | 107 | 171 | -60 | 0 | 0 | 0 | 0 | 104.4 | I158 A162 | I158-S160 PolarHBondContact O-N 2.97Å; S160-A162 PolarHBondContact O-N 3.28Å | ||
| 161 | T | 40.7 | Very low | 52 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 80% | 0.798 | 64% | 0.642 | S | S | * | * | trans | -49 | 114.7 | 179.3 | -48.4 | 0 | 0 | 0 | 0 | 104.9 | P159 S163 | P159-T161 VanDerWaalsContact C-N 3.27Å; P159-T161 PolarHBondContact O-N 3.47Å; T161-S163 PolarHBondContact O-N 2.93Å | ||
| 162 | A | 44 | Very low | 53 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | trans | -47.1 | 111.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | S160 S164 | S160-A162 PolarHBondContact O-N 3.28Å; A162-S164 PolarHBondContact O-N 3.42Å | ||
| 163 | S | 48.5 | Very low | 54.7 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | -52.6 | 116.1 | 177.4 | 54 | 0 | 0 | 0 | 0 | 106 | T161 | T161-S163 PolarHBondContact O-N 2.93Š| ||
| 164 | S | 53.9 | Low | 56.6 | Low | 48 Ų | 48 | 106.8 Ų | 106.8 | 34% | 0.336 | 63% | 0.626 | S | S | . | * | trans | -58.5 | 135.6 | 179.5 | -169.9 | 0 | 0 | 0 | 0 | 107.5 | A162 R166 D167 | A162-S164 PolarHBondContact O-N 3.42Å; S164-R166 PolarHBondContact O-N 3.18Å; S164-D167 PolarHBondContact O-N 3.42Å | ||
| 165 | P | 56.4 | Low | 58.7 | Low | 107 Ų | 107 | 103.7 Ų | 103.7 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -55.4 | -7.9 | 178 | -26.9 | 34.3 | 0 | 0 | 0 | 115.1 | T168 | P165-T168 PolarHBondContact O-OG1 3.26Å |
| 166 | R | 55.4 | Low | 60.5 | Low | 190 Ų | 190 | 99.9 Ų | 99.9 | 72% | 0.717 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.9 | -28.4 | 178.9 | -60.8 | -171.1 | 176.2 | 124.8 | -0.1 | 113 | S164 A169 L170 | S164-R166 PolarHBondContact O-N 3.18Å; R166-A169 PolarHBondContact O-N 3.28Å; R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.33Å |
| 167 | D | 57.1 | Low | 62.8 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -80.7 | -33.5 | -176.4 | -59.6 | -35.1 | 0 | 0 | 0 | 111.9 | S164 A171 | S164-D167 PolarHBondContact O-N 3.42Å; D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.21Å; D167-A171 PolarHBondContact O-N 2.78Å |
| 168 | T | 64.7 | Low | 65.2 | Low | 92 Ų | 92 | 92.9 Ų | 92.9 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.4 | -35.7 | 169.9 | 26.1 | 0 | 0 | 0 | 0 | 112.2 | P165 A172 | P165-T168 PolarHBondContact O-OG1 3.26Å; T168-A172 VanDerWaalsContact O-CB 3.27Å; T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 2.93Å |
| 169 | A | 70.6 | Confident | 67.5 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R166 A172 V173 | R166-A169 PolarHBondContact O-N 3.28Å; A169-A172 PolarHBondContact O-N 3.18Å; A169-V173 VanDerWaalsContact O-CG2 3.24Å; A169-V173 WeakPolarHBondContact O-CG2 3.26Å; A169-V173 PolarHBondContact O-N 2.89Å |
| 170 | L | 74.8 | Confident | 70 | Confident | 101 Ų | 101 | 88.6 Ų | 88.6 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -44.3 | 175.3 | -91.6 | 152.3 | 0 | 0 | 0 | 112.2 | R166 A172 V173 I174 | R166-L170 WeakPolarHBondContact O-CB 3.27Å; R166-L170 PolarHBondContact O-N 3.33Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.36Å; L170-V173 PolarHBondContact O-N 2.93Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.45Å |
| 171 | A | 75.6 | Confident | 72.7 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D167 I174 C175 | D167-A171 VanDerWaalsContact O-CB 3.25Å; D167-A171 WeakPolarHBondContact O-CB 3.21Å; D167-A171 PolarHBondContact O-N 2.78Å; A171-I174 PolarHBondContact O-N 2.86Å; A171-C175 VanDerWaalsContact O-CB 3.3Å; A171-C175 WeakPolarHBondContact O-CB 3.49Å; A171-C175 PolarHBondContact O-N 3.01Å; A171-C175 PolarHBondContact O-SG 3.42Å; A171-C175 VanDerWaalsContact O-SG 3.33Å |
| 172 | A | 78.2 | Confident | 75.2 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T168 A169 L170 S176 | T168-A172 VanDerWaalsContact O-CB 3.27Å; T168-A172 WeakPolarHBondContact O-CB 3.19Å; T168-A172 PolarHBondContact O-N 2.93Å; A169-A172 PolarHBondContact O-N 3.18Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.36Å; A172-S176 WeakPolarHBondContact O-CB 3.34Å; A172-S176 PolarHBondContact O-N 2.85Å; A172-S176 PolarHBondContact O-OG 3.5Å |
| 173 | V | 87 | Confident | 77.6 | Confident | 94 Ų | 94 | 86.9 Ų | 86.9 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | A169 L170 S176 A177 | A169-V173 VanDerWaalsContact O-CG2 3.24Å; A169-V173 WeakPolarHBondContact O-CG2 3.26Å; A169-V173 PolarHBondContact O-N 2.89Å; L170-V173 PolarHBondContact O-N 2.93Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.33Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.96Å |
| 174 | I | 87.3 | Confident | 79.8 | Confident | 95 Ų | 95 | 85.1 Ų | 85.1 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 177.9 | -65.3 | 163.8 | 0 | 0 | 0 | 110.5 | L170 A171 S176 A177 L178 | L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.45Å; A171-I174 PolarHBondContact O-N 2.86Å; I174-S176 PolarHBondContact O-N 2.65Å; I174-A177 PolarHBondContact O-N 3.27Å; I174-L178 HydrophobicContact CG2-CD1 4.04Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.21Å; I174-L178 PolarHBondContact O-N 3.48Å |
| 175 | C | 85.2 | Confident | 81.6 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 57% | 0.568 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 177.6 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | A171 L178 A179 | A171-C175 VanDerWaalsContact O-CB 3.3Å; A171-C175 WeakPolarHBondContact O-CB 3.49Å; A171-C175 PolarHBondContact O-N 3.01Å; A171-C175 PolarHBondContact O-SG 3.42Å; A171-C175 VanDerWaalsContact O-SG 3.33Å; C175-L178 PolarHBondContact O-N 3Å; C175-A179 WeakPolarHBondContact O-CB 3.14Å; C175-A179 PolarHBondContact O-N 2.9Å |
| 176 | S | 86.4 | Confident | 83.3 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | A172 V173 I174 A179 T180 | A172-S176 WeakPolarHBondContact O-CB 3.34Å; A172-S176 PolarHBondContact O-N 2.85Å; A172-S176 PolarHBondContact O-OG 3.5Å; V173-S176 WeakPolarHBondContact CA-OG 3.31Å; V173-S176 PolarHBondContact O-OG 3.33Å; I174-S176 PolarHBondContact O-N 2.65Å; S176-A179 PolarHBondContact O-N 3.25Å; S176-T180 WeakPolarHBondContact O-CG2 3.18Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.81Å |
| 177 | A | 91.8 | Very high | 85.1 | Confident | 49 Ų | 49 | 83 Ų | 83 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V173 I174 A179 T180 V181 | V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.46Å; V173-A177 PolarHBondContact O-N 2.96Å; I174-A177 PolarHBondContact O-N 3.27Å; A177-A179 PolarHBondContact O-N 2.77Å; A177-T180 PolarHBondContact O-N 2.75Å; A177-T180 PolarHBondContact O-OG1 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.36Å; A177-V181 PolarHBondContact O-N 2.77Å |
| 178 | L | 91.8 | Very high | 86.8 | Confident | 104 Ų | 104 | 83.9 Ų | 83.9 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.4 | -68.3 | 174.7 | 0 | 0 | 0 | 112.2 | I174 C175 T180 V181 L182 | I174-L178 HydrophobicContact CG2-CD1 4.04Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 VanDerWaalsContact O-CG 3.31Å; I174-L178 WeakPolarHBondContact O-CG 3.21Å; I174-L178 PolarHBondContact O-N 3.48Å; C175-L178 PolarHBondContact O-N 3Å; L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.39Å; L178-V181 PolarHBondContact O-N 3.13Å; L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 2.79Å |
| 179 | A | 90.8 | Very high | 87.9 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C175 S176 A177 L182 L183 | C175-A179 WeakPolarHBondContact O-CB 3.14Å; C175-A179 PolarHBondContact O-N 2.9Å; S176-A179 PolarHBondContact O-N 3.25Å; A177-A179 PolarHBondContact O-N 2.77Å; A179-L182 PolarHBondContact O-N 3.48Å; A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 3.36Å |
| 180 | T | 92.7 | Very high | 88.8 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 177.3 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | S176 A177 L178 L183 A184 | S176-T180 WeakPolarHBondContact O-CG2 3.18Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 2.81Å; A177-T180 PolarHBondContact O-N 2.75Å; A177-T180 PolarHBondContact O-OG1 3.46Å; L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.39Å; T180-L183 PolarHBondContact O-N 3.34Å; T180-A184 WeakPolarHBondContact O-CB 3.08Å; T180-A184 PolarHBondContact O-N 2.77Å |
| 181 | V | 94.5 | Very high | 89.5 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | A177 L178 L183 A184 L185 | A177-V181 WeakPolarHBondContact O-CG2 3.36Å; A177-V181 PolarHBondContact O-N 2.77Å; L178-V181 PolarHBondContact O-N 3.13Å; V181-L183 PolarHBondContact O-N 2.82Å; V181-A184 PolarHBondContact O-N 3.33Å; V181-L185 HydrophobicContact CG1-CD1 4.3Å; V181-L185 WeakPolarHBondContact O-CG 3.47Å; V181-L185 PolarHBondContact O-N 2.83Å |
| 182 | L | 92.7 | Very high | 90 | Very high | 111 Ų | 111 | 88.3 Ų | 88.3 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176.9 | -70.3 | 172.8 | 0 | 0 | 0 | 111.7 | L178 A179 A184 L185 L186 | L178-L182 VanDerWaalsContact O-CG 3.32Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 2.79Å; A179-L182 PolarHBondContact O-N 3.48Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 2.78Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.22Å |
| 183 | L | 94.5 | Very high | 90.1 | Very high | 103 Ų | 103 | 89.2 Ų | 89.2 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.6 | -173.6 | 64.7 | 0 | 0 | 0 | 111.8 | A179 T180 V181 L186 I187 | A179-L183 WeakPolarHBondContact O-CB 3.25Å; A179-L183 PolarHBondContact O-N 3.36Å; T180-L183 PolarHBondContact O-N 3.34Å; V181-L183 PolarHBondContact O-N 2.82Å; L183-L186 PolarHBondContact O-N 3.31Å; L183-I187 HydrophobicContact CG-CD1 4.05Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 3.22Å |
| 184 | A | 94.4 | Very high | 89.7 | Confident | 55 Ų | 55 | 91.6 Ų | 91.6 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T180 V181 L182 I187 L188 | T180-A184 WeakPolarHBondContact O-CB 3.08Å; T180-A184 PolarHBondContact O-N 2.77Å; V181-A184 PolarHBondContact O-N 3.33Å; L182-A184 VanDerWaalsContact C-N 3.35Å; L182-A184 PolarHBondContact O-N 2.78Å; A184-I187 PolarHBondContact O-N 3.48Å; A184-L188 VanDerWaalsContact O-CB 3.32Å; A184-L188 WeakPolarHBondContact O-CB 3.37Å; A184-L188 PolarHBondContact O-N 3.41Å |
| 185 | L | 92.4 | Very high | 89.2 | Confident | 99 Ų | 99 | 95.3 Ų | 95.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.1 | -70.4 | 174.8 | 0 | 0 | 0 | 111.8 | V181 L182 L188 C189 | V181-L185 HydrophobicContact CG1-CD1 4.3Å; V181-L185 WeakPolarHBondContact O-CG 3.47Å; V181-L185 PolarHBondContact O-N 2.83Å; L182-L185 PolarHBondContact O-N 2.82Å; L185-L188 PolarHBondContact O-N 2.88Å; L185-C189 WeakPolarHBondContact O-CB 3.12Å; L185-C189 PolarHBondContact O-N 2.77Å; L185-C189 PolarHBondContact O-SG 3.28Å |
| 186 | L | 91.9 | Very high | 88.5 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | -70.9 | 175.5 | 0 | 0 | 0 | 112 | L182 L183 L188 C189 V190 | L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.22Å; L183-L186 PolarHBondContact O-N 3.31Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.87Å; L186-C189 PolarHBondContact O-N 3.39Å; L186-V190 WeakPolarHBondContact O-CG2 3.28Å; L186-V190 PolarHBondContact O-N 2.81Å |
| 187 | I | 93.6 | Very high | 87.3 | Confident | 91 Ų | 91 | 98 Ų | 98 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 175.1 | -68.8 | 165.2 | 0 | 0 | 0 | 110.2 | L183 A184 V190 I191 | L183-I187 HydrophobicContact CG-CD1 4.05Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.31Å; L183-I187 PolarHBondContact O-N 3.22Å; A184-I187 PolarHBondContact O-N 3.48Å; I187-V190 PolarHBondContact O-N 3.49Å; I187-I191 HydrophobicContact CG2-CD1 3.7Å; I187-I191 HydrophobicContact CG2-CG1 4.38Å; I187-I191 WeakPolarHBondContact O-CB 3.43Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.26Å; I187-I191 PolarHBondContact O-N 2.93Å |
| 188 | L | 91.4 | Very high | 85.8 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 179.2 | -149.1 | 144.4 | 0 | 0 | 0 | 111.5 | A184 L185 L186 I191 Y192 | A184-L188 VanDerWaalsContact O-CB 3.32Å; A184-L188 WeakPolarHBondContact O-CB 3.37Å; A184-L188 PolarHBondContact O-N 3.41Å; L185-L188 PolarHBondContact O-N 2.88Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 2.87Å; L188-I191 PolarHBondContact O-N 2.86Å; L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.43Å |
| 189 | C | 88.4 | Confident | 84.3 | Confident | 70 Ų | 70 | 104.9 Ų | 104.9 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 169.9 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | L185 L186 Y192 C193 | L185-C189 WeakPolarHBondContact O-CB 3.12Å; L185-C189 PolarHBondContact O-N 2.77Å; L185-C189 PolarHBondContact O-SG 3.28Å; L186-C189 PolarHBondContact O-N 3.39Å; C189-Y192 PolarHBondContact O-N 3.41Å; C189-C193 WeakPolarHBondContact O-CB 3.35Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.73Å |
| 190 | V | 89.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 110 Ų | 110 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.7 | -41.3 | 177 | 171 | 0 | 0 | 0 | 0 | 111.3 | L186 I187 K194 | L186-V190 WeakPolarHBondContact O-CG2 3.28Å; L186-V190 PolarHBondContact O-N 2.81Å; I187-V190 PolarHBondContact O-N 3.49Å; V190-K194 VanDerWaalsContact O-CB 3.26Å; V190-K194 WeakPolarHBondContact O-CB 3.01Å; V190-K194 PolarHBondContact O-N 3.4Å |
| 191 | I | 89.8 | Confident | 80.7 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 46% | 0.456 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -40.8 | 175.9 | -67.7 | 167.2 | 0 | 0 | 0 | 110.6 | I187 L188 K194 R195 | I187-I191 HydrophobicContact CG2-CD1 3.7Å; I187-I191 HydrophobicContact CG2-CG1 4.38Å; I187-I191 WeakPolarHBondContact O-CB 3.43Å; I187-I191 VanDerWaalsContact O-CG1 3.25Å; I187-I191 WeakPolarHBondContact O-CG1 3.26Å; I187-I191 PolarHBondContact O-N 2.93Å; L188-I191 PolarHBondContact O-N 2.86Å; I191-K194 PolarHBondContact O-N 3.08Å; I191-R195 WeakPolarHBondContact O-CB 3.21Å; I191-R195 WeakPolarHBondContact O-CG 3.4Å; I191-R195 PolarHBondContact O-N 3.34Å |
| 192 | Y | 84.4 | Confident | 78.7 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 54% | 0.541 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.3 | -46.4 | 176.8 | -176.7 | -102.7 | 0 | 0 | 0 | 111.4 | L188 C189 K194 R195 Q196 | L188-Y192 WeakPolarHBondContact O-CB 3.42Å; L188-Y192 PolarHBondContact O-N 3.43Å; C189-Y192 PolarHBondContact O-N 3.41Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 2.94Å; Y192-R195 PolarHBondContact O-N 3.45Å; Y192-Q196 HydrophobicContact CD1-CG 4.3Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 4.47Å; Y192-Q196 WeakPolarHBondContact O-CB 3.32Å; Y192-Q196 PolarHBondContact O-N 2.86Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å |
| 193 | C | 80.6 | Confident | 76.5 | Confident | 79 Ų | 79 | 113.5 Ų | 113.5 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.8 | -41.5 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 111.1 | C189 F197 | C189-C193 WeakPolarHBondContact O-CB 3.35Å; C189-C193 PolarHBondContact O-N 2.85Å; C189-C193 PolarHBondContact O-SG 2.73Å; C193-F197 WeakPolarHBondContact O-CB 3.46Å; C193-F197 PolarHBondContact O-N 3.49Å |
| 194 | K | 78.8 | Confident | 73.8 | Confident | 144 Ų | 144 | 120.2 Ų | 120.2 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 173.3 | -89.6 | -131.4 | 174.4 | 174.9 | 0 | 112.3 | V190 I191 Y192 F197 M198 | V190-K194 VanDerWaalsContact O-CB 3.26Å; V190-K194 WeakPolarHBondContact O-CB 3.01Å; V190-K194 PolarHBondContact O-N 3.4Å; I191-K194 PolarHBondContact O-N 3.08Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-K194 PolarHBondContact O-N 2.94Å; K194-F197 PolarHBondContact O-N 2.89Å; K194-M198 WeakPolarHBondContact O-CB 3.33Å; K194-M198 WeakPolarHBondContact O-CG 3.29Å; K194-M198 PolarHBondContact O-N 2.73Å |
| 195 | R | 78.1 | Confident | 71.4 | Confident | 173 Ų | 173 | 123 Ų | 123 | 65% | 0.653 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.6 | -46.3 | 176.5 | -83.7 | -172.1 | 176.5 | -167.7 | 0.1 | 111.4 | I191 Y192 F197 M198 E199 | I191-R195 WeakPolarHBondContact O-CB 3.21Å; I191-R195 WeakPolarHBondContact O-CG 3.4Å; I191-R195 PolarHBondContact O-N 3.34Å; Y192-R195 PolarHBondContact O-N 3.45Å; R195-F197 VanDerWaalsContact C-N 3.28Å; R195-F197 PolarHBondContact O-N 2.84Å; R195-M198 CarbonylContact O-C 3.48Å; R195-M198 PolarHBondContact O-N 3.23Å; R195-M198 VanDerWaalsContact O-N 3.08Å; R195-E199 WeakPolarHBondContact O-CB 3.3Å; R195-E199 PolarHBondContact O-N 3.02Å |
| 196 | Q | 70.2 | Confident | 68.9 | Low | 95 Ų | 95 | 126 Ų | 126 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.6 | -39.1 | 173.5 | -78.5 | -150.9 | 5.2 | 0 | 0 | 112.5 | Y192 M198 K200 | Y192-Q196 HydrophobicContact CD1-CG 4.3Å; Y192-Q196 HydrophobicContact CE1-CG 3.96Å; Y192-Q196 HydrophobicContact CE2-CG 4.47Å; Y192-Q196 WeakPolarHBondContact O-CB 3.32Å; Y192-Q196 PolarHBondContact O-N 2.86Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å; Q196-M198 VanDerWaalsContact C-N 3.29Å; Q196-M198 PolarHBondContact O-N 3.16Å; Q196-K200 VanDerWaalsContact O-CB 3.31Å; Q196-K200 WeakPolarHBondContact O-CB 3.13Å; Q196-K200 PolarHBondContact O-N 3.3Å |
| 197 | F | 60.2 | Low | 66.2 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -74.4 | -19.9 | 178.1 | -165.6 | -94 | 0 | 0 | 0 | 112.8 | C193 K194 R195 K200 K201 | C193-F197 WeakPolarHBondContact O-CB 3.46Å; C193-F197 PolarHBondContact O-N 3.49Å; K194-F197 PolarHBondContact O-N 2.89Å; R195-F197 VanDerWaalsContact C-N 3.28Å; R195-F197 PolarHBondContact O-N 2.84Å; F197-K200 CarbonylContact O-C 3.49Å; F197-K201 HydrophobicContact CD1-CD 3.73Å; F197-K201 VanDerWaalsContact CD1-CE 3.42Å; F197-K201 HydrophobicContact CE1-CD 3.59Å; F197-K201 HydrophobicContact CE2-CD 4.46Å; F197-K201 HydrophobicContact CG-CD 4.25Å; F197-K201 VanDerWaalsContact CG-CE 3.49Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact O-CD 3.26Å; F197-K201 WeakPolarHBondContact O-CD 3.45Å; F197-K201 WeakPolarHBondContact O-CE 3.17Å |
| 198 | M | 59.9 | Low | 63.5 | Low | 129 Ų | 129 | 133.3 Ų | 133.3 | 64% | 0.635 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -99.9 | -28.4 | 179.1 | -68.2 | -77.4 | 132.5 | 0 | 0 | 112.9 | K194 R195 Q196 | K194-M198 WeakPolarHBondContact O-CB 3.33Å; K194-M198 WeakPolarHBondContact O-CG 3.29Å; K194-M198 PolarHBondContact O-N 2.73Å; R195-M198 CarbonylContact O-C 3.48Å; R195-M198 PolarHBondContact O-N 3.23Å; R195-M198 VanDerWaalsContact O-N 3.08Å; Q196-M198 VanDerWaalsContact C-N 3.29Å; Q196-M198 PolarHBondContact O-N 3.16Å |
| 199 | E | 60.5 | Low | 60.8 | Low | 167 Ų | 167 | 135.6 Ų | 135.6 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.9 | -21.3 | 165.1 | -94.3 | 176.1 | 111.8 | 0 | 0 | 111.4 | R195 | R195-E199 WeakPolarHBondContact O-CB 3.3Å; R195-E199 PolarHBondContact O-N 3.02Å |
| 200 | K | 54.9 | Low | 58.1 | Low | 163 Ų | 163 | 138.6 Ų | 138.6 | 71% | 0.709 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.7 | 80.9 | 169.3 | -60.8 | -163.9 | 177.1 | -173.9 | 0 | 111.5 | Q196 F197 | Q196-K200 VanDerWaalsContact O-CB 3.31Å; Q196-K200 WeakPolarHBondContact O-CB 3.13Å; Q196-K200 PolarHBondContact O-N 3.3Å; F197-K200 CarbonylContact O-C 3.49Å |
| 201 | K | 53.9 | Low | 55.3 | Low | 123 Ų | 123 | 142.3 Ų | 142.3 | 54% | 0.535 | 69% | 0.694 | S | S | . | * | trans | -167.6 | 150.2 | 153 | -103.6 | 145.5 | -133.8 | -98.7 | 0 | 113.6 | F197 | F197-K201 HydrophobicContact CD1-CD 3.73Å; F197-K201 VanDerWaalsContact CD1-CE 3.42Å; F197-K201 HydrophobicContact CE1-CD 3.59Å; F197-K201 HydrophobicContact CE2-CD 4.46Å; F197-K201 HydrophobicContact CG-CD 4.25Å; F197-K201 VanDerWaalsContact CG-CE 3.49Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact O-CD 3.26Å; F197-K201 WeakPolarHBondContact O-CD 3.45Å; F197-K201 WeakPolarHBondContact O-CE 3.17Å | ||
| 202 | P | 52.3 | Low | 52.4 | Low | 114 Ų | 114 | 145.4 Ų | 145.4 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | cis | -128.1 | 133.6 | 3.6 | 36.3 | -18.4 | 0 | 0 | 0 | 113.4 | ||||
| 203 | S | 46.6 | Very low | 49.7 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -133 | 63.9 | 161.6 | 70.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 204 | W | 38 | Very low | 47.3 | Very low | 245 Ų | 245 | 151.8 Ų | 151.8 | 93% | 0.928 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -176.6 | 80.9 | 139 | 68.6 | -70.8 | 0 | 0 | 0 | 108.9 | ||
| 205 | S | 44.4 | Very low | 45 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -141.6 | 125.8 | 138.1 | -176.6 | 0 | 0 | 0 | 0 | 104.7 | ||
| 206 | L | 39.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | trans | 84.3 | 71.1 | 178.3 | -134.8 | 75.4 | 0 | 0 | 0 | 118.2 | ||||
| 207 | R | 34.8 | Very low | 41.2 | Very low | 254 Ų | 254 | 147.8 Ų | 147.8 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | trans | -143.7 | 64.5 | 141.6 | -140 | -179 | -167 | 124.3 | -0.3 | 110.6 | ||||
| 208 | S | 38.2 | Very low | 40.1 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -130.6 | 114.7 | 158.6 | 167.4 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 209 | Q | 33.3 | Very low | 38.5 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | cis | -118 | 177 | 7.5 | -67.9 | 143.7 | -36.2 | 0 | 0 | 108.2 | ||||
| 210 | D | 32.1 | Very low | 37.1 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -175.9 | 134.5 | 35 | -135.6 | -25.4 | 0 | 0 | 0 | 109.8 | ||||
| 211 | I | 32.3 | Very low | 35.9 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -163.9 | 111.9 | 151.2 | -59.3 | -170.6 | 0 | 0 | 0 | 103.3 | ||
| 212 | H | 26.9 | Very low | 34.8 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -163 | 124 | 12.2 | 173.5 | -66.4 | 0 | 0 | 0 | 109.5 | ||
| 213 | Y | 29.5 | Very low | 33.8 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 53 | 122.4 | 157.4 | -80.8 | -105.4 | 0 | 0 | 0 | 123 | ||||
| 214 | N | 28.7 | Very low | 32.9 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | -166.8 | 123.9 | 89.8 | -158.1 | 12.8 | 0 | 0 | 0 | 113.2 | |||||
| 215 | G | 31.5 | Very low | 32.5 | Very low | 54 Ų | 54 | 146 Ų | 146 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | trans | 82.8 | 95.8 | 144 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 216 | S | 32.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 56.6 | 136.9 | 132.1 | -60.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 217 | E | 35.8 | Very low | 31.1 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | cis | -176.6 | 149.5 | -2.2 | -97.6 | -132.3 | 161.8 | 0 | 0 | 106.3 | ||||
| 218 | L | 35.4 | Very low | 30.7 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 76 | 100.4 | 155.4 | -57.1 | 152.8 | 0 | 0 | 0 | 118.3 | ||||
| 219 | S | 28.1 | Very low | 30.2 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | 58 | 123 | 79.7 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 220 | C | 29.7 | Very low | 30 | Very low | 91 Ų | 91 | 143 Ų | 143 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | 179.9 | 144.3 | 86.4 | -96.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 221 | F | 30.1 | Very low | 30 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | 68 | 116 | 160.1 | -53.3 | -63.5 | 0 | 0 | 0 | 119.1 | ||||
| 222 | D | 30.8 | Very low | 30 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | 80.3 | 130.1 | 50.3 | -159.5 | 30.4 | 0 | 0 | 0 | 114.8 | |||||
| 223 | R | 31.2 | Very low | 30.2 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | trans | 61.5 | 108.2 | 154.8 | -95.6 | -174 | 165.7 | 86.2 | -2.4 | 123 | ||||
| 224 | S | 27.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | 56.3 | 128 | 105.1 | 79.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 225 | R | 29.2 | Very low | 30.4 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | 87.6 | 128.1 | 140.2 | -79.2 | -172.2 | -176.3 | -90.3 | 0.6 | 119.8 | ||||
| 226 | L | 28.3 | Very low | 30.4 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | trans | 73.3 | 114.3 | 141.1 | -99.8 | 98.3 | 0 | 0 | 0 | 119.4 | ||||
| 227 | N | 26.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | 92.6 | 138.5 | 118.1 | -153.1 | 24.6 | 0 | 0 | 0 | 119.3 | |||||
| 228 | E | 27 | Very low | 30 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | trans | 76.8 | 115.2 | 147.7 | -121.8 | 151.3 | 153.7 | 0 | 0 | 121.6 | ||||
| 229 | Y | 27.5 | Very low | 29.9 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 65.9 | 132.3 | 138.9 | -92.5 | -105 | 0 | 0 | 0 | 123.1 | ||||
| 230 | D | 28.1 | Very low | 29.9 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 79.4 | 134.5 | 140.8 | -86.4 | -17.3 | 0 | 0 | 0 | 125.2 | ||||
| 231 | H | 33 | Very low | 30 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | -42.1 | 132.6 | 164.7 | -68.6 | -18.7 | 0 | 0 | 0 | 114.9 | ||||
| 232 | R | 31.3 | Very low | 30.2 | Very low | 230 Ų | 230 | 150.6 Ų | 150.6 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | -170.7 | 121.4 | 114.7 | -110.5 | -171.6 | 178.2 | -163.2 | -0.8 | 112.7 | |||||
| 233 | T | 32.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | 24.3 | 126.1 | 128.1 | 57.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 234 | C | 28.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | 166 | 110.1 | 115.3 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 235 | C | 33.8 | Very low | 30.7 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | 108.9 | 135 | 102.2 | -63.2 | 0 | 0 | 0 | 0 | 107 | |||||
| 236 | Q | 31.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | cis | -172.7 | 117.8 | 40.1 | -163.2 | 152.3 | 4.3 | 0 | 0 | 106.7 | ||||
| 237 | C | 31.1 | Very low | 31.7 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 91% | 0.905 | 78% | 0.784 | S | S | * | * | trans | -136.6 | 117.6 | 158.7 | -86.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 238 | H | 29.4 | Very low | 32.1 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -63.1 | 138.5 | -172.8 | -158.2 | 56.9 | 0 | 0 | 0 | 110.7 | ||||
| 239 | R | 33 | Very low | 32.6 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -105.2 | 139.1 | -177.6 | -163.5 | -173 | -162.1 | -163.4 | 6.5 | 109.8 | ||||
| 240 | G | 27.8 | Very low | 33.1 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | 144.8 | 123.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 241 | T | 31.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | cis | -159.7 | 156.2 | 34.9 | 35.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 242 | S | 34.8 | Very low | 33.6 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -25.4 | 136.9 | 169.8 | 50.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 243 | Q | 34 | Very low | 33.6 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | -170.9 | 119.4 | 126.9 | -101.9 | 165.9 | 56.4 | 0 | 0 | 113.1 | |||||
| 244 | T | 33.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 51.9 | 133 | 134.5 | -23.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 245 | C | 33.2 | Very low | 33.8 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -69.8 | 149.6 | -178.4 | -171.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 246 | G | 37.9 | Very low | 33.8 | Very low | 54 Ų | 54 | 139.7 Ų | 139.7 | 56% | 0.557 | 81% | 0.807 | S | S | * | * | trans | -162.4 | 141.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V248 | G246-V248 PolarHBondContact O-N 3.5Š| ||
| 247 | P | 40.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -80.4 | 119.7 | -174.7 | 31.1 | -30.9 | 0 | 0 | 0 | 110.9 | ||||
| 248 | V | 35.6 | Very low | 33.9 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -94 | 114.9 | 170.3 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | G246 L250 | G246-V248 PolarHBondContact O-N 3.5Å; V248-L250 PolarHBondContact O-N 3.45Å | ||
| 249 | H | 36.1 | Very low | 33.9 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -65.1 | 114.5 | 169.2 | -82.8 | -99.1 | 0 | 0 | 0 | 109.3 | I251 | H249-I251 PolarHBondContact O-N 3.34Š| ||
| 250 | L | 38.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -79 | 106 | 169.6 | -68.2 | 169 | 0 | 0 | 0 | 108.6 | V248 | V248-L250 PolarHBondContact O-N 3.45Š| ||
| 251 | I | 37.4 | Very low | 33.8 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -90.1 | 121.7 | 162.4 | -61.1 | 172.8 | 0 | 0 | 0 | 106.3 | H249 S253 | H249-I251 PolarHBondContact O-N 3.34Å; I251-S253 PolarHBondContact O-N 3.28Å | ||
| 252 | P | 33.9 | Very low | 33.7 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 109.2 | 174.8 | -13.9 | 28.6 | 0 | 0 | 0 | 109.9 | ||||
| 253 | S | 32.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -80.1 | 118.2 | 168.5 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | I251 C255 | I251-S253 PolarHBondContact O-N 3.28Å; S253-C255 PolarHBondContact O-N 3.2Å | ||
| 254 | L | 34.4 | Very low | 33.2 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -59.4 | 118.3 | 164.2 | -71.4 | 148.4 | 0 | 0 | 0 | 108.8 | ||||
| 255 | C | 29.8 | Very low | 33 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | trans | -85.5 | 114.3 | 162.7 | -69.1 | 0 | 0 | 0 | 0 | 107.8 | S253 | S253-C255 PolarHBondContact O-N 3.2Š| ||
| 256 | C | 34.2 | Very low | 32.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 135.9 | 164 | -65.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 257 | D | 32.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 126.6 | 171.4 | -84.4 | -40.5 | 0 | 0 | 0 | 111 | ||
| 258 | E | 31.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 120.5 | 159.9 | -91.1 | 158.7 | 118.9 | 0 | 0 | 109.4 | ||
| 259 | T | 31 | Very low | 31.5 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -121.6 | 106.2 | 153.8 | 37.8 | 0 | 0 | 0 | 0 | 109.6 | S261 | T259-S261 PolarHBondContact O-N 3.2Š| ||
| 260 | C | 31.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 124.4 | 164.1 | -52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 261 | S | 26.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -104.1 | 106.5 | 160.2 | -71.6 | 0 | 0 | 0 | 0 | 108.3 | T259 | T259-S261 PolarHBondContact O-N 3.2Š| ||
| 262 | M | 28.8 | Very low | 30.1 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -97.3 | 135.2 | 169 | -167 | 124.6 | 61.6 | 0 | 0 | 108.4 | ||||
| 263 | E | 29.1 | Very low | 29.9 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -47.8 | 139.9 | 174.1 | -68.1 | 164.5 | 114.5 | 0 | 0 | 112.8 | ||||
| 264 | H | 29.4 | Very low | 29.7 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -135.3 | 113.7 | 145.5 | -97.1 | -68.3 | 0 | 0 | 0 | 110.8 | ||||
| 265 | S | 27.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | trans | -48.8 | 140.9 | 159.6 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 266 | S | 29.4 | Very low | 29.5 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -121.9 | 104.1 | 152.2 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 267 | H | 29.8 | Very low | 29.2 | Very low | 164 Ų | 164 | 144 Ų | 144 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 122.8 | 160.9 | -86.3 | -94.3 | 0 | 0 | 0 | 108.9 | ||||
| 268 | S | 28.8 | Very low | 29 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -132.7 | 113.9 | 139.2 | 73.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 269 | C | 29.5 | Very low | 28.9 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -87.8 | 146.7 | 165.5 | -59.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 270 | A | 29.8 | Very low | 28.9 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | -172.6 | 136 | 69.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 271 | F | 26.7 | Very low | 28.9 | Very low | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 59.3 | 110.3 | 140.7 | -77 | -89 | 0 | 0 | 0 | 121.7 | ||||
| 272 | H | 25.8 | Very low | 29.1 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | -153.3 | 125.2 | 111.6 | -99.4 | -68.9 | 0 | 0 | 0 | 109.9 | |||||
| 273 | S | 28 | Very low | 29.2 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -122.6 | 126.4 | 173.6 | -51.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 274 | Q | 29.9 | Very low | 29.2 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 99.7 | 151.6 | -77.3 | -161.3 | 0.9 | 0 | 0 | 106.7 | ||||
| 275 | T | 29.3 | Very low | 29.5 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | 68.3 | 108 | 98.8 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 276 | T | 29 | Very low | 29.7 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -64.9 | 124 | 158 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 277 | L | 27.9 | Very low | 30 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -174.2 | 104.2 | 145.2 | -120 | 169.9 | 0 | 0 | 0 | 109.9 | ||||
| 278 | H | 28.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -159.1 | 120.5 | 135.9 | -134.2 | -69.1 | 0 | 0 | 0 | 112.1 | ||||
| 279 | E | 29 | Very low | 30.6 | Very low | 162 Ų | 162 | 145 Ų | 145 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -68 | 134 | 165.5 | -176.8 | 175.5 | 173.3 | 0 | 0 | 110.6 | ||||
| 280 | R | 32.7 | Very low | 30.9 | Very low | 218 Ų | 218 | 145.8 Ų | 145.8 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | trans | -173.4 | 133.9 | 133.4 | -102.7 | -179.5 | -156.3 | 99.5 | 0.4 | 112 | ||||
| 281 | A | 30.3 | Very low | 30.9 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -62.5 | 153.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 282 | S | 31.9 | Very low | 31 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -167.3 | 122.8 | 136.5 | -75.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 283 | D | 30 | Very low | 31.3 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -60.6 | 144.7 | 169.4 | -62.1 | -61.1 | 0 | 0 | 0 | 111.9 | ||||
| 284 | S | 29.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -169.7 | 113.3 | 145.6 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 285 | V | 36.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -59.5 | 142.8 | 157.4 | 163.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 286 | G | 31.5 | Very low | 31.1 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 175.9 | 102.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 287 | E | 35.2 | Very low | 31.1 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -60.5 | 134.3 | 167.4 | -66 | 174.7 | 133.1 | 0 | 0 | 111.1 | ||||
| 288 | M | 33.7 | Very low | 31.2 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -169.6 | 132.6 | 153.4 | 174.3 | 162.6 | -129.7 | 0 | 0 | 112.1 | ||||
| 289 | I | 38.9 | Very low | 31.1 | Very low | 143 Ų | 143 | 142 Ų | 142 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -41.2 | 153.5 | 173.3 | -57.8 | 164 | 0 | 0 | 0 | 114.8 | ||||
| 290 | P | 34.7 | Very low | 31.3 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -120.8 | 121.3 | 145.8 | 32.1 | -18.5 | 0 | 0 | 0 | 113.2 | ||||
| 291 | T | 31.6 | Very low | 31.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -63.7 | 140.4 | 157.8 | 31.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 292 | F | 27.7 | Very low | 31.2 | Very low | 198 Ų | 198 | 135 Ų | 135 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -5 | 125.6 | 150.2 | -87.8 | -105.9 | 0 | 0 | 0 | 117.6 | ||||
| 293 | L | 32.2 | Very low | 31.1 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | -175.8 | 118.5 | 110.6 | -94.7 | 165.1 | 0 | 0 | 0 | 111.4 | |||||
| 294 | G | 26.1 | Very low | 31.2 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 52.4 | 112 | 139.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 295 | S | 27.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | -163.6 | 119.9 | 117.1 | -80.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 296 | L | 29.1 | Very low | 31.2 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 130 | 176.8 | -157.4 | 81.4 | 0 | 0 | 0 | 108.9 | ||||
| 297 | S | 29.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -153.8 | 86.7 | 164 | -71.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 298 | H | 30.3 | Very low | 31.6 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 113.8 | 164 | -79.5 | -84.1 | 0 | 0 | 0 | 108.7 | ||||
| 299 | S | 27.5 | Very low | 31.6 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -106.8 | 105.1 | 162.1 | 172.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 300 | T | 31.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -122.2 | 107.5 | 170.3 | 42.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 301 | C | 31.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -86.2 | 126.5 | 163.9 | -161.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 302 | G | 30.9 | Very low | 31.4 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -94.3 | 157.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 303 | D | 29.7 | Very low | 31.7 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -127.5 | 105.5 | 157.8 | -94.6 | -34.5 | 0 | 0 | 0 | 109.4 | ||||
| 304 | I | 30.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 29.6 | 104.8 | 133.8 | -41.4 | 164.1 | 0 | 0 | 0 | 116.7 | ||||
| 305 | S | 31.3 | Very low | 32 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 117.8 | 153 | -168 | 0 | 0 | 0 | 0 | 108.2 | A307 | S305-A307 PolarHBondContact O-N 3.26Š| ||
| 306 | D | 34.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -78.5 | 112.4 | 174.2 | -72 | -46.9 | 0 | 0 | 0 | 110.5 | ||||
| 307 | A | 42.2 | Very low | 32.3 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -152.5 | 120.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S305 | S305-A307 PolarHBondContact O-N 3.26Š| ||
| 308 | W | 33.2 | Very low | 32.5 | Very low | 244 Ų | 244 | 132 Ų | 132 | 92% | 0.924 | 77% | 0.773 | S | S | * | * | trans | -69.3 | 141.6 | -175 | -77.5 | 82.7 | 0 | 0 | 0 | 113.1 | ||||
| 309 | P | 33.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | -97.4 | 140.5 | 174 | 35.8 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 310 | L | 33.8 | Very low | 33.1 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -97.6 | 105.1 | 160.9 | -73.7 | 175.4 | 0 | 0 | 0 | 109.7 | ||||
| 311 | M | 29.2 | Very low | 32.9 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 40.9 | 109.9 | 146.7 | -64.9 | -169.2 | 67 | 0 | 0 | 120 | ||||
| 312 | Q | 38.3 | Very low | 32.8 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | 78 | 116.3 | 86.7 | -100.7 | 179.1 | 20 | 0 | 0 | 114 | |||||
| 313 | N | 33.6 | Very low | 32.6 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -176.3 | 162.7 | 67.8 | -81 | -35.7 | 0 | 0 | 0 | 108.9 | |||||
| 314 | S | 30.9 | Very low | 32.5 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -169.5 | 151.6 | -1.2 | 46.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 315 | A | 33.5 | Very low | 32.5 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -15.1 | 162.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 316 | C | 31.6 | Very low | 32.4 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | 170.2 | 139.5 | -11 | 171.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 317 | C | 32.6 | Very low | 32.2 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | 55.1 | 147.4 | 134.3 | -27.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 318 | D | 32.9 | Very low | 31.6 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | cis | -174.2 | 155.5 | 37.9 | -103.4 | -39.1 | 0 | 0 | 0 | 111.6 | ||||
| 319 | S | 33.9 | Very low | 31.5 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 67.6 | 143.9 | 137.2 | -60 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 320 | I | 36.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | trans | -75.2 | 144.5 | -170.7 | -62.8 | 158.8 | 0 | 0 | 0 | 113.2 | ||||
| 321 | S | 27.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 123.3 | 157.8 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 322 | F | 29.5 | Very low | 31 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -92.5 | 134.9 | 166.5 | -96.2 | -92.9 | 0 | 0 | 0 | 108.8 | ||||
| 323 | C | 25.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -159.6 | 131.7 | 145.9 | -106.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 324 | E | 29 | Very low | 31.1 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -44 | 141.9 | 170.1 | -142.7 | 101.8 | -176.9 | 0 | 0 | 115.4 | ||||
| 325 | S | 30.6 | Very low | 31 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -170.1 | 106 | 131 | 16.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 326 | H | 29.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 25.5 | 132.1 | 145.6 | -71.4 | -88.1 | 0 | 0 | 0 | 123.3 | ||||
| 327 | S | 29.6 | Very low | 30.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -164.5 | 111.5 | 112 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 328 | E | 29.9 | Very low | 30.5 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -33 | 153.6 | 145.5 | -89.8 | 173.6 | 122.7 | 0 | 0 | 114.1 | ||||
| 329 | L | 30.5 | Very low | 31.1 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | cis | -160.1 | 159.1 | 23.4 | -90.1 | 138.1 | 0 | 0 | 0 | 105.8 | ||||
| 330 | A | 28.6 | Very low | 31 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | -163.5 | 137.8 | 54.8 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 331 | G | 29.8 | Very low | 30.7 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -78.4 | 153.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 332 | G | 27.5 | Very low | 31 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 116.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 333 | G | 28.5 | Very low | 31.1 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 145 | 149.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 334 | P | 45.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | cis | -129.8 | 163.6 | -3.8 | 37.9 | -21.1 | 0 | 0 | 0 | 113.7 | ||||
| 335 | N | 30.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 178.8 | 131.4 | 135.2 | -93.7 | -8.6 | 0 | 0 | 0 | 114.3 | ||||
| 336 | S | 28.8 | Very low | 31.2 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 37.2 | 120 | 147.3 | 71.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 337 | C | 26.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | 169.5 | 128 | 102.5 | -87.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 338 | S | 31.2 | Very low | 31.3 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 161.6 | 160.4 | -50.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 339 | P | 44.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -140.2 | 150.9 | 78.5 | 29.3 | -9 | 0 | 0 | 0 | 115.7 | |||||
| 340 | E | 31.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 28.3 | 121.8 | 135.3 | -54 | 176.8 | 138.9 | 0 | 0 | 119.3 | ||||
| 341 | T | 29.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | -161.8 | 134.2 | 109.2 | -19.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 342 | E | 33.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 149.2 | 170.8 | -60.1 | 163.4 | 118.9 | 0 | 0 | 112.1 | ||||
| 343 | N | 32.6 | Very low | 32 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | 173.9 | 145 | 103.8 | -85.1 | -40.8 | 0 | 0 | 0 | 113.1 | |||||
| 344 | A | 31.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -91.5 | 157.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 345 | A | 29.1 | Very low | 31.4 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | trans | 71.1 | 159.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 346 | T | 27.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 87.2 | 109.8 | 159.7 | 50.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 347 | V | 32.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | 74.8 | 123.9 | 85.8 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 348 | E | 27.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | -177 | 140 | 62.5 | -143.4 | 144.5 | 179 | 0 | 0 | 106 | |||||
| 349 | S | 29.1 | Very low | 31.7 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | 74.8 | 133.6 | 106.9 | -148.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 350 | D | 31.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | -178.6 | 159.5 | 50.4 | -116.1 | -37.4 | 0 | 0 | 0 | 105.1 | |||||
| 351 | N | 33.5 | Very low | 31 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -171 | 170.2 | 17.5 | -151.5 | 6.1 | 0 | 0 | 0 | 111.1 | ||||
| 352 | D | 35.3 | Very low | 31 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | trans | 74.1 | 134 | 152.1 | -56.3 | -33 | 0 | 0 | 0 | 120.6 | ||||
| 353 | Q | 33.2 | Very low | 30.8 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -164.4 | 126.6 | 6.7 | -165.9 | 69.8 | 44.7 | 0 | 0 | 108.9 | ||||
| 354 | E | 31 | Very low | 30.6 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 51.3 | 123.8 | 131.7 | -135 | -176.7 | 159.5 | 0 | 0 | 122.7 | ||||
| 355 | L | 30.2 | Very low | 30.4 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 177.2 | 114.6 | 101.7 | -147.7 | 87.8 | 0 | 0 | 0 | 113.5 | |||||
| 356 | S | 31.1 | Very low | 30.6 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 39.1 | 113.6 | 148.4 | 62.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 357 | D | 29.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | 47 | 114.9 | 62.6 | -81 | -19.8 | 0 | 0 | 0 | 116.5 | |||||
| 358 | V | 29 | Very low | 30.5 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 90% | 0.903 | 74% | 0.744 | S | S | * | * | -165.2 | 130.3 | 107.5 | 167.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 359 | L | 32.6 | Very low | 30.7 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -115.3 | 179.2 | 177.8 | -147.1 | 135.1 | 0 | 0 | 0 | 108.6 | ||||
| 360 | I | 32.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 106 | 134 | 159.8 | -57.1 | 174.4 | 0 | 0 | 0 | 113.9 | ||||
| 361 | S | 28.3 | Very low | 30.7 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -177.3 | 169.7 | -10.4 | 179 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 362 | A | 29.8 | Very low | 30.6 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -32 | 161.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 363 | K | 30.7 | Very low | 30.3 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | -179.3 | 147.3 | 57 | -152 | -179 | -177.8 | 172.1 | 0 | 112.7 | |||||
| 364 | S | 28.7 | Very low | 30.3 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 43.4 | 130.5 | 144.1 | 64.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 365 | H | 26 | Very low | 30.2 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | -174.5 | 148.9 | 96.1 | -134.3 | -39.7 | 0 | 0 | 0 | 113.5 | |||||
| 366 | D | 32.7 | Very low | 30.1 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -25.9 | 154.8 | 167.8 | -78.2 | -58.3 | 0 | 0 | 0 | 121.9 | ||||
| 367 | G | 28.6 | Very low | 30.3 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 164 | 92.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 368 | S | 29.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -53.7 | 146.2 | 166.7 | 173.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 369 | I | 32.3 | Very low | 30.3 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -176.4 | 150.1 | 133.5 | -89.5 | 151.5 | 0 | 0 | 0 | 111.1 | ||||
| 370 | A | 29.8 | Very low | 30.2 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -72 | 155.7 | -163 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 371 | K | 31.5 | Very low | 29.9 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 31.1 | 139.1 | 137 | -87.1 | 178.3 | 177.1 | 169 | 0 | 121.8 | ||||
| 372 | S | 30.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 88.5 | 114 | 147.2 | -53 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 373 | F | 29.7 | Very low | 30.2 | Very low | 215 Ų | 215 | 150.1 Ų | 150.1 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 130.3 | 136.2 | -96.3 | -74.2 | 0 | 0 | 0 | 111.2 | ||||
| 374 | E | 32.1 | Very low | 30.1 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -87.4 | 178.5 | 173.7 | -135.4 | -142.4 | -152.7 | 0 | 0 | 110.4 | ||||
| 375 | I | 29.5 | Very low | 30.2 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 87.2 | 122.3 | 168.5 | -54.1 | 141.8 | 0 | 0 | 0 | 113.3 | ||||
| 376 | S | 29 | Very low | 30.5 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | -163 | 136.2 | 57.9 | -167.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 377 | K | 34.9 | Very low | 30.5 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -120.6 | 111.6 | 173.1 | -163.7 | -175.8 | -166.2 | 179.2 | 0 | 107.2 | ||||
| 378 | H | 29.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | trans | -172 | 138.6 | 166.5 | -106.4 | 43.4 | 0 | 0 | 0 | 105.3 | ||||
| 379 | R | 29.9 | Very low | 30.7 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | cis | -173.5 | 153.8 | 25.4 | -154.7 | -176.3 | -161.1 | 163.3 | 4 | 102.8 | ||||
| 380 | T | 30 | Very low | 30.7 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | 179.3 | 135.4 | 55.7 | -45.3 | 0 | 0 | 0 | 0 | 108.1 | I382 | T380-I382 HydrophobicContact CG2-CG1 4.31Š| |||
| 381 | Y | 26.3 | Very low | 31 | Very low | 185 Ų | 185 | 151 Ų | 151 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | trans | -94.9 | 130.9 | 166 | -170 | -95.9 | 0 | 0 | 0 | 107.3 | E383 | Y381-E383 HydrophobicContact CD1-CB 4.28Å; Y381-E383 HydrophobicContact CE1-CB 3.6Å | ||
| 382 | I | 32.3 | Very low | 31 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -130.8 | 117 | 159 | -67.5 | -167.8 | 0 | 0 | 0 | 107.7 | T380 | T380-I382 HydrophobicContact CG2-CG1 4.31Š| ||
| 383 | E | 31.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -116.8 | 124.7 | 163.5 | -177.4 | -173.6 | -145.4 | 0 | 0 | 105.7 | Y381 | Y381-E383 HydrophobicContact CD1-CB 4.28Å; Y381-E383 HydrophobicContact CE1-CB 3.6Å | ||
| 384 | I | 29.2 | Very low | 31.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -145 | 123.4 | 149.8 | -62.2 | -172.1 | 0 | 0 | 0 | 108.2 | ||||
| 385 | S | 30.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 146.8 Ų | 146.8 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -88.9 | 147.3 | 172.2 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 386 | S | 31.9 | Very low | 31.4 | Very low | 90 Ų | 90 | 147 Ų | 147 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | 124.6 | 140.6 | 125.4 | 86.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 387 | L | 32.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 73.6 | 132.8 | 148.4 | -76.4 | 147.5 | 0 | 0 | 0 | 116.2 | ||||
| 388 | Q | 30.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | cis | -175.3 | 140.6 | 32.9 | -156.3 | 153.1 | -49.5 | 0 | 0 | 111.4 | ||||
| 389 | K | 31.7 | Very low | 32 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 45.2 | 128.1 | 145.4 | -63.9 | 174.8 | -173 | 172.1 | 0 | 121.6 | ||||
| 390 | S | 31.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | 172.3 | 145 | 95.1 | 60 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 391 | V | 35.3 | Very low | 32.4 | Very low | 145 Ų | 145 | 147.8 Ų | 147.8 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 140.7 | 176.2 | 170 | 0 | 0 | 0 | 0 | 112 | ||||
| 392 | A | 32.8 | Very low | 32.8 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -164.9 | 135.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 393 | A | 33 | Very low | 32.9 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -83.3 | 149.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 394 | E | 31.4 | Very low | 33.1 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -157.3 | 155.7 | 138.3 | -133.9 | 173.4 | 130.6 | 0 | 0 | 113.7 | ||||
| 395 | K | 30.8 | Very low | 33.7 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -87.6 | 162.2 | -155.4 | -67.4 | 168.2 | 173.5 | 176.1 | 0 | 113.2 | ||||
| 396 | Q | 35.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -50.9 | 167.5 | 161.3 | -65.3 | -160.5 | -46.3 | 0 | 0 | 112.9 | ||||
| 397 | P | 38.1 | Very low | 34.5 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -134.6 | 147.5 | 96.5 | 31.9 | -18 | 0 | 0 | 0 | 115.2 | |||||
| 398 | K | 34.5 | Very low | 35 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -58 | 147.8 | 163 | -75.6 | 166.7 | 173 | 169.2 | 0 | 111.4 | ||||
| 399 | T | 32.2 | Very low | 35.5 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -135.9 | 110.4 | 146.7 | -35.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | K | 35.8 | Very low | 36.1 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -95.6 | 132.6 | 156.2 | -89.8 | -175.7 | 172.9 | -175.1 | 0 | 105.8 | ||||
| 401 | H | 32.7 | Very low | 36.3 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.815 | 82% | 0.818 | S | S | * | * | -171.8 | 143.4 | 118.3 | -122.9 | -70.2 | 0 | 0 | 0 | 113.6 | |||||
| 402 | N | 35.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -57.4 | 159.4 | 174.7 | -64.3 | -19.6 | 0 | 0 | 0 | 115.6 | ||||
| 403 | G | 33.3 | Very low | 36.6 | Very low | 64 Ų | 64 | 146.9 Ų | 146.9 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | 174.2 | 88.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 404 | T | 35.8 | Very low | 36.8 | Very low | 149 Ų | 149 | 150 Ų | 150 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | 81.7 | 134.4 | 98.1 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 405 | A | 40.4 | Very low | 37.1 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 60% | 0.595 | 81% | 0.809 | S | S | * | * | trans | -86 | 163.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 406 | N | 40.7 | Very low | 37.5 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | 84.6 | 112 | 148.3 | -53.1 | -17.9 | 0 | 0 | 0 | 119.9 | ||||
| 407 | D | 40.3 | Very low | 37.7 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | -171.9 | 111.3 | 123.4 | -121.1 | -9.7 | 0 | 0 | 0 | 107.2 | |||||
| 408 | S | 41.3 | Very low | 37.7 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 60% | 0.601 | 81% | 0.814 | S | S | * | * | 78.1 | 135 | 83 | 76.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 409 | T | 42.5 | Very low | 37.9 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 64.7 | 123.7 | 171.8 | 39.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 410 | D | 44.1 | Very low | 38.4 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 100% | 1.257 | 81% | 0.814 | S | S | * | * | cis | -133 | 0 | 29.6 | -87.5 | -43.7 | 0 | 0 | 0 | 113.7 |
Retrieved 410 of 410 residues in 145.7 ms
(Link to these results)