| 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 | 39.5 | Very low | 44 | Very low | 160 Ų | 160 | 117 Ų | 117 | 79% | 0.788 | 70% | 0.695 | S | S | * | * | 0 | 47.8 | 0 | -78.2 | 176.4 | 152.8 | 0 | 0 | 110.3 | N3 L7 V13 | M1-N3 PolarHBondContact O-N 2.83Å; M1-L7 HydrophobicContact CE-CD1 4.14Å; M1-V13 HydrophobicContact CE-CB 4.3Å; M1-V13 HydrophobicContact CE-CG1 3.85Å; M1-V13 HydrophobicContact CE-CG2 3.4Å | |||
| 2 | D | 41 | Very low | 43.6 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 1.5 | -137.1 | -43.2 | -67.3 | 0 | 0 | 0 | 113.9 | ||
| 3 | N | 43.3 | Very low | 43.2 | Very low | 156 Ų | 156 | 117.5 Ų | 117.5 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 18.9 | -175.6 | -66.1 | -9.6 | 0 | 0 | 0 | 113.4 | M1 R5 | M1-N3 PolarHBondContact O-N 2.83Å; N3-R5 PolarHBondContact O-N 2.72Å |
| 4 | G | 37.6 | Very low | 42.7 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 62.3 | 18.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 5 | R | 52.1 | Low | 42.1 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | trans | -88.5 | 114 | -175.5 | 176 | 170.6 | 163 | 169.4 | -9.9 | 110.6 | N3 L7 E11 | N3-R5 PolarHBondContact O-N 2.72Å; R5-L7 PolarHBondContact O-N 3.19Å; R5-E11 IonicContact CZ-OE1 3.17Å; R5-E11 IonicContact NE-OE1 3.27Å; R5-E11 IonicContact NH2-OE1 2.79Å; R5-E11 PolarHBondContact NH2-OE1 2.75Å | ||
| 6 | V | 47.1 | Very low | 41.5 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.4 | 167.4 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 7 | L | 53.1 | Low | 40.8 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 38% | 0.382 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 145.1 | -178.5 | -67.1 | 172.3 | 0 | 0 | 0 | 111.3 | M1 R5 E11 V13 | M1-L7 HydrophobicContact CE-CD1 4.14Å; R5-L7 PolarHBondContact O-N 3.19Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.22Å; L7-E11 HydrophobicContact CD2-CG 3.82Å; L7-V13 HydrophobicContact CD1-CG2 3.42Å; L7-V13 VanDerWaalsContact CD1-CG2 3.42Å |
| 8 | S | 49.9 | Very low | 40.3 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 150.5 | 176.3 | -40.5 | 0 | 0 | 0 | 0 | 110.1 | G10 E11 | S8-G10 PolarHBondContact O-N 2.74Å; S8-G10 VanDerWaalsContact O-N 3.1Å; S8-E11 VanDerWaalsContact CB-OE2 3.32Å; S8-E11 WeakPolarHBondContact CB-OE2 3.08Å; S8-E11 PolarHBondContact N-OE2 2.7Å; S8-E11 VanDerWaalsContact O-CB 3.24Å; S8-E11 WeakPolarHBondContact O-CB 2.9Å; S8-E11 PolarHBondContact O-N 2.79Å; S8-E11 PolarHBondContact OG-OE2 2.58Å |
| 9 | P | 34.4 | Very low | 39.9 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 119.3 | 167.4 | -25.2 | 35.3 | 0 | 0 | 0 | 110.5 | ||
| 10 | G | 39.5 | Very low | 39.4 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.5 | 0.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116 | S8 E12 | S8-G10 PolarHBondContact O-N 2.74Å; S8-G10 VanDerWaalsContact O-N 3.1Å; G10-E12 PolarHBondContact O-N 3.36Å |
| 11 | E | 46 | Very low | 39.5 | Very low | 61 Ų | 61 | 121.7 Ų | 121.7 | 29% | 0.285 | 69% | 0.694 | S | S | . | * | trans | -94.8 | 88.2 | 178.2 | -154.2 | 172.3 | 179.8 | 0 | 0 | 109.8 | R5 L7 S8 | R5-E11 IonicContact CZ-OE1 3.17Å; R5-E11 IonicContact NE-OE1 3.27Å; R5-E11 IonicContact NH2-OE1 2.79Å; R5-E11 PolarHBondContact NH2-OE1 2.75Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.22Å; L7-E11 HydrophobicContact CD2-CG 3.82Å; S8-E11 VanDerWaalsContact CB-OE2 3.32Å; S8-E11 WeakPolarHBondContact CB-OE2 3.08Å; S8-E11 PolarHBondContact N-OE2 2.7Å; S8-E11 VanDerWaalsContact O-CB 3.24Å; S8-E11 WeakPolarHBondContact O-CB 2.9Å; S8-E11 PolarHBondContact O-N 2.79Å; S8-E11 PolarHBondContact OG-OE2 2.58Å | ||
| 12 | E | 39.5 | Very low | 39.9 | Very low | 163 Ų | 163 | 119.7 Ų | 119.7 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | trans | -60.8 | 135.5 | -173.8 | -77.6 | -168.2 | 147 | 0 | 0 | 114.6 | G10 R14 | G10-E12 PolarHBondContact O-N 3.36Å; E12-R14 PolarHBondContact O-N 3.37Å | ||
| 13 | V | 38.7 | Very low | 40.5 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.467 | 67% | 0.665 | S | S | . | * | trans | -82.6 | 94.4 | 166.5 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | M1 L7 L15 | M1-V13 HydrophobicContact CE-CB 4.3Å; M1-V13 HydrophobicContact CE-CG1 3.85Å; M1-V13 HydrophobicContact CE-CG2 3.4Å; L7-V13 HydrophobicContact CD1-CG2 3.42Å; L7-V13 VanDerWaalsContact CD1-CG2 3.42Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 HydrophobicContact CG1-CG 4.31Å; V13-L15 PolarHBondContact O-N 2.74Å | ||
| 14 | R | 36.4 | Very low | 41.2 | Very low | 215 Ų | 215 | 114.9 Ų | 114.9 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | trans | -70.9 | 91.1 | 164.1 | -72 | -170.8 | 176.6 | -169.4 | -2 | 110 | E12 A16 | E12-R14 PolarHBondContact O-N 3.37Å; R14-A16 PolarHBondContact O-N 2.89Å | ||
| 15 | L | 33 | Very low | 42.4 | Very low | 159 Ų | 159 | 113.1 Ų | 113.1 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -59 | 116.2 | 164.1 | -85.5 | 163.5 | 0 | 0 | 0 | 108.6 | V13 N17 | V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 HydrophobicContact CG1-CG 4.31Å; V13-L15 PolarHBondContact O-N 2.74Å; L15-N17 PolarHBondContact O-N 3.42Å | ||
| 16 | A | 32.7 | Very low | 43.2 | Very low | 92 Ų | 92 | 107.2 Ų | 107.2 | 76% | 0.76 | 61% | 0.609 | S | S | * | * | trans | -86.6 | 73.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R14 | R14-A16 PolarHBondContact O-N 2.89Š| ||
| 17 | N | 29.6 | Very low | 43.8 | Very low | 108 Ų | 108 | 105.5 Ų | 105.5 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | trans | -72.8 | 146.2 | 143.7 | -77.8 | 7 | 0 | 0 | 0 | 108 | L15 E1328 | L15-N17 PolarHBondContact O-N 3.42Å; N17-E1328 PolarHBondContact ND2-OE2 2.91Å | ||
| 18 | F | 31.4 | Very low | 44.5 | Very low | 172 Ų | 172 | 108.8 Ų | 108.8 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | trans | 69.4 | 88 | -172.6 | -52.6 | -75.1 | 0 | 0 | 0 | 116.8 | C20 | F18-C20 PolarHBondContact O-N 2.85Š| ||
| 19 | P | 33.7 | Very low | 45.5 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 72% | 0.721 | 62% | 0.616 | S | S | * | * | trans | -74.5 | 73.2 | 163.1 | 33.4 | -34.9 | 0 | 0 | 0 | 111.2 | ||||
| 20 | C | 28.9 | Very low | 46.9 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 78% | 0.777 | 61% | 0.609 | S | S | * | * | trans | -126.6 | 48.6 | 170.3 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | F18 | F18-C20 PolarHBondContact O-N 2.85Š| ||
| 21 | A | 41.3 | Very low | 47.9 | Very low | 56 Ų | 56 | 113.4 Ų | 113.4 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | trans | -64.6 | 145.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C23 | A21-C23 PolarHBondContact O-N 3.4Š| ||
| 22 | I | 49.2 | Very low | 48.7 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 61% | 0.61 | 59% | 0.59 | S | S | * | * | trans | -63.9 | 105.1 | -164.4 | -59 | 168.7 | 0 | 0 | 0 | 111 | ||||
| 23 | C | 52.5 | Low | 49.8 | Very low | 61 Ų | 61 | 108.2 Ų | 108.2 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.4 | 167.4 | -73.4 | 0 | 0 | 0 | 0 | 109.4 | A21 V32 C34 | A21-C23 PolarHBondContact O-N 3.4Å; C23-V32 HydrophobicContact CB-CG1 3.76Å; C23-C34 HydrophobicContact CB-CB 4.15Å; C23-C34 WeakPolarHBondContact CB-SG 3.39Å; C23-C34 WeakPolarHBondContact SG-CB 3.3Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.74Å |
| 24 | R | 59 | Low | 50.6 | Low | 149 Ų | 149 | 105.9 Ų | 105.9 | 56% | 0.562 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.9 | -177.4 | -175.8 | 177.5 | -176.1 | 157.1 | 6.5 | 110.7 | D26 V33 | R24-D26 PolarHBondContact O-N 3.25Å; R24-V33 PolarHBondContact N-O 3.47Å; R24-V33 PolarHBondContact O-N 3.37Å |
| 25 | C | 63.4 | Low | 51.4 | Low | 40 Ų | 40 | 103.6 Ų | 103.6 | 27% | 0.27 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.4 | 124 | 166.4 | -70.6 | 0 | 0 | 0 | 0 | 110.5 | P27 E31 C57 | C25-P27 WeakPolarHBondContact O-CD 3.3Å; C25-E31 WeakPolarHBondContact CA-O 3.23Å; C25-C57 HydrophobicContact CB-CB 4.08Å; C25-C57 WeakPolarHBondContact CB-SG 3.47Å; C25-C57 WeakPolarHBondContact SG-CB 3.4Å; C25-C57 CovalentContact SG-SG 2.03Å; C25-C57 PolarHBondContact SG-SG 3.11Å |
| 26 | D | 68.1 | Low | 52.1 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | trans | -74.6 | 119.6 | 167.5 | -170.9 | -43.5 | 0 | 0 | 0 | 108.6 | R24 N28 T29 R30 E31 | R24-D26 PolarHBondContact O-N 3.25Å; D26-N28 PolarHBondContact O-N 3.09Å; D26-N28 VanDerWaalsContact O-N 3.13Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.27Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.3Å; D26-N28 PolarHBondContact OD1-ND2 2.64Å; D26-T29 PolarHBondContact O-N 3.23Å; D26-R30 WeakPolarHBondContact O-CA 3.45Å; D26-R30 PolarHBondContact O-N 3.31Å; D26-E31 PolarHBondContact N-O 3.42Å | ||
| 27 | P | 59 | Low | 52.8 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 66% | 0.656 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -13.4 | -177.8 | 28.6 | -36 | 0 | 0 | 0 | 113.7 | C25 | C25-P27 WeakPolarHBondContact O-CD 3.3Š|
| 28 | N | 67.5 | Low | 53.7 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 76% | 0.759 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -39.2 | 179.8 | -49.3 | -81 | 0 | 0 | 0 | 112.5 | D26 | D26-N28 PolarHBondContact O-N 3.09Å; D26-N28 VanDerWaalsContact O-N 3.13Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.27Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.3Å; D26-N28 PolarHBondContact OD1-ND2 2.64Å |
| 29 | T | 71.2 | Confident | 54.3 | Low | 71 Ų | 71 | 101 Ų | 101 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | -21.6 | -178.6 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | D26 E31 | D26-T29 PolarHBondContact O-N 3.23Å; T29-E31 VanDerWaalsContact CB-OE2 3.25Å; T29-E31 WeakPolarHBondContact CB-OE2 3.46Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 WeakPolarHBondContact OG1-CB 3.34Å; T29-E31 PolarHBondContact OG1-N 2.81Å; T29-E31 PolarHBondContact OG1-OE2 2.83Å |
| 30 | R | 64 | Low | 54.9 | Low | 193 Ų | 193 | 100 Ų | 100 | 73% | 0.728 | 55% | 0.546 | S | S | * | . | trans | 64.6 | 14.4 | -169.3 | -53.5 | 179.5 | 170.9 | -169.8 | -4.2 | 114.9 | D26 C57 | D26-R30 WeakPolarHBondContact O-CA 3.45Å; D26-R30 PolarHBondContact O-N 3.31Å; R30-C57 PolarHBondContact O-SG 3.37Å; R30-C57 VanDerWaalsContact O-SG 3.35Å | ||
| 31 | E | 61.3 | Low | 55.8 | Low | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | B | Isolated β-bridge | trans | -88.6 | 149.4 | 175 | -61.7 | 164.7 | 137.1 | 0 | 0 | 110.5 | C25 D26 T29 | C25-E31 WeakPolarHBondContact CA-O 3.23Å; D26-E31 PolarHBondContact N-O 3.42Å; T29-E31 VanDerWaalsContact CB-OE2 3.25Å; T29-E31 WeakPolarHBondContact CB-OE2 3.46Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 WeakPolarHBondContact OG1-CB 3.34Å; T29-E31 PolarHBondContact OG1-N 2.81Å; T29-E31 PolarHBondContact OG1-OE2 2.83Å |
| 32 | V | 62.3 | Low | 55.9 | Low | 29 Ų | 29 | 100.7 Ų | 100.7 | 18% | 0.176 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.4 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | C23 L42 C57 | C23-V32 HydrophobicContact CB-CG1 3.76Å; V32-L42 HydrophobicContact CG2-CD1 4.45Å; V32-C57 VanDerWaalsContact CG2-SG 3.57Å |
| 33 | V | 63.8 | Low | 55.7 | Low | 86 Ų | 86 | 103.5 Ų | 103.5 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.7 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | R24 | R24-V33 PolarHBondContact N-O 3.47Å; R24-V33 PolarHBondContact O-N 3.37Å |
| 34 | C | 55.1 | Low | 55.4 | Low | 27 Ų | 27 | 103.6 Ų | 103.6 | 18% | 0.182 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 149.5 | 175.9 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | C23 T36 C39 | C23-C34 HydrophobicContact CB-CB 4.15Å; C23-C34 WeakPolarHBondContact CB-SG 3.39Å; C23-C34 WeakPolarHBondContact SG-CB 3.3Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.74Å; C34-T36 PolarHBondContact O-N 3.28Å; C34-C39 PolarHBondContact SG-SG 3.07Å |
| 35 | E | 52 | Low | 54.5 | Low | 168 Ų | 168 | 99.8 Ų | 99.8 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -80.8 | 2.4 | -179.5 | -61.6 | -171.8 | 143.2 | 0 | 0 | 114.1 | ||
| 36 | T | 49.3 | Very low | 53.3 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -141.2 | 145.3 | 177.3 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | C34 T38 | C34-T36 PolarHBondContact O-N 3.28Å; T36-T38 PolarHBondContact O-N 2.98Å |
| 37 | E | 45.6 | Very low | 51.9 | Low | 203 Ų | 203 | 109.5 Ų | 109.5 | 95% | 0.949 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -70.8 | 9.1 | -165 | -57.4 | -173.9 | 141.1 | 0 | 0 | 117 | ||
| 38 | T | 49.9 | Very low | 50.9 | Low | 118 Ų | 118 | 113.8 Ų | 113.8 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | trans | -130.2 | 108.7 | -177.6 | 41.6 | 0 | 0 | 0 | 0 | 112.6 | T36 | T36-T38 PolarHBondContact O-N 2.98Š| ||
| 39 | C | 43.9 | Very low | 49.3 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 51% | 0.507 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -96.6 | 122.4 | 174.7 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | C34 | C34-C39 PolarHBondContact SG-SG 3.07Š|
| 40 | P | 45.7 | Very low | 48 | Very low | 91 Ų | 91 | 116.3 Ų | 116.3 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 158.1 | 162.7 | 31 | -33.4 | 0 | 0 | 0 | 110.6 | L42 | P40-L42 PolarHBondContact O-N 3.17Š|
| 41 | T | 48.2 | Very low | 47.1 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 58% | 0.577 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 116.9 | 176.3 | 20.4 | 0 | 0 | 0 | 0 | 111.3 | Q43 | T41-Q43 PolarHBondContact O-N 3.43Š|
| 42 | L | 43.4 | Very low | 46.6 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 120.6 | 177 | -75.7 | 162.9 | 0 | 0 | 0 | 111 | V32 P40 | V32-L42 HydrophobicContact CG2-CD1 4.45Å; P40-L42 PolarHBondContact O-N 3.17Å |
| 43 | Q | 45.6 | Very low | 46.1 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 116.6 | 163.7 | -71.7 | -175.7 | -19.5 | 0 | 0 | 109.2 | T41 | T41-Q43 PolarHBondContact O-N 3.43Š|
| 44 | C | 44.9 | Very low | 45.4 | Very low | 62 Ų | 62 | 118 Ų | 118 | 42% | 0.419 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 118.4 | 165.6 | -39.6 | 0 | 0 | 0 | 0 | 107.8 | L52 C58 | C44-L52 WeakPolarHBondContact SG-CD1 3.37Å; C44-C58 HydrophobicContact CB-CB 4.04Å; C44-C58 WeakPolarHBondContact CB-SG 3.14Å; C44-C58 WeakPolarHBondContact SG-CB 3.35Å; C44-C58 CovalentContact SG-SG 2.04Å; C44-C58 PolarHBondContact SG-SG 2.94Å |
| 45 | G | 41.1 | Very low | 45.5 | Very low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 147.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 46 | E | 37.6 | Very low | 45.8 | Very low | 136 Ų | 136 | 116 Ų | 116 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -130.6 | 172.1 | -0.2 | -69.2 | 177.2 | 115.1 | 0 | 0 | 110.3 | R77 | E46-R77 VanDerWaalsContact CD-NH2 3.29Å; E46-R77 IonicContact OE1-CZ 3.7Å; E46-R77 IonicContact OE1-NH1 2.73Å; E46-R77 PolarHBondContact OE1-NH1 3.22Å; E46-R77 IonicContact OE1-NH2 3.86Å; E46-R77 PolarHBondContact OE1-NH2 3.15Å; E46-R77 IonicContact OE2-CZ 3.99Å; E46-R77 IonicContact OE2-NH1 3.71Å; E46-R77 PolarHBondContact OE2-NH1 2.77Å; E46-R77 IonicContact OE2-NH2 2.74Å; E46-R77 PolarHBondContact OE2-NH2 3.47Å |
| 47 | D | 38.9 | Very low | 46.1 | Very low | 163 Ų | 163 | 113.5 Ų | 113.5 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 70.3 | 135.2 | -172 | -60.8 | -28.8 | 0 | 0 | 0 | 117.3 | ||
| 48 | E | 37.1 | Very low | 46.7 | Very low | 190 Ų | 190 | 104.9 Ų | 104.9 | 89% | 0.888 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 55.2 | 62 | 174.3 | -57 | -146.7 | 137.3 | 0 | 0 | 120.2 | Q50 | E48-Q50 PolarHBondContact O-N 3.39Š|
| 49 | G | 35.8 | Very low | 46.8 | Very low | 87 Ų | 87 | 104.5 Ų | 104.5 | 90% | 0.897 | 61% | 0.608 | S | S | * | * | 65.9 | 12 | 109.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 50 | Q | 43.4 | Very low | 47 | Very low | 180 Ų | 180 | 109.2 Ų | 109.2 | 84% | 0.841 | 62% | 0.622 | S | S | * | * | trans | -116.6 | 127.5 | 173.7 | -75.6 | -174.7 | -12.4 | 0 | 0 | 113 | E48 | E48-Q50 PolarHBondContact O-N 3.39Š| ||
| 51 | L | 43.8 | Very low | 47.1 | Very low | 150 Ų | 150 | 108.6 Ų | 108.6 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.5 | 165.2 | -85.5 | 71.3 | 0 | 0 | 0 | 108.8 | ||
| 52 | L | 51.1 | Low | 47 | Very low | 45 Ų | 45 | 109.5 Ų | 109.5 | 24% | 0.236 | 63% | 0.625 | C | S | . | * | P | Polyproline II helix | trans | -74.3 | 143.3 | 166 | -71.9 | 166.1 | 0 | 0 | 0 | 110 | C44 Q56 | C44-L52 WeakPolarHBondContact SG-CD1 3.37Å; L52-Q56 HydrophobicContact CB-CB 4.42Å; L52-Q56 HydrophobicContact CD2-CB 4.1Å |
| 53 | E | 51.5 | Low | 47.1 | Very low | 152 Ų | 152 | 109.2 Ų | 109.2 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 153.6 | 171.7 | -66.9 | -152.5 | 146.3 | 0 | 0 | 111.4 | G55 Q56 | E53-G55 PolarHBondContact O-N 3.21Å; E53-G55 VanDerWaalsContact O-N 3.16Å; E53-Q56 PolarHBondContact O-N 3.11Å |
| 54 | P | 50.7 | Low | 46.5 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 77% | 0.766 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 120.8 | -176.8 | -27.5 | 35.8 | 0 | 0 | 0 | 113.1 | ||
| 55 | G | 56.3 | Low | 45.9 | Very low | 44 Ų | 44 | 113.8 Ų | 113.8 | 45% | 0.454 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 108.1 | -4.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E53 | E53-G55 PolarHBondContact O-N 3.21Å; E53-G55 VanDerWaalsContact O-N 3.16Å |
| 56 | Q | 58.7 | Low | 45.6 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 51% | 0.514 | 66% | 0.655 | S | S | . | * | B | Isolated β-bridge | trans | -91.6 | 142.2 | 177.7 | -65.8 | -171.7 | -11.8 | 0 | 0 | 113.8 | L52 E53 | L52-Q56 HydrophobicContact CB-CB 4.42Å; L52-Q56 HydrophobicContact CD2-CB 4.1Å; E53-Q56 PolarHBondContact O-N 3.11Å |
| 57 | C | 55.2 | Low | 45.2 | Very low | 26 Ų | 26 | 119.8 Ų | 119.8 | 18% | 0.176 | 66% | 0.661 | C | S | . | * | P | Polyproline II helix | trans | -88.9 | 139.3 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | C25 R30 V32 | C25-C57 HydrophobicContact CB-CB 4.08Å; C25-C57 WeakPolarHBondContact CB-SG 3.47Å; C25-C57 WeakPolarHBondContact SG-CB 3.4Å; C25-C57 CovalentContact SG-SG 2.03Å; C25-C57 PolarHBondContact SG-SG 3.11Å; R30-C57 PolarHBondContact O-SG 3.37Å; R30-C57 VanDerWaalsContact O-SG 3.35Å; V32-C57 VanDerWaalsContact CG2-SG 3.57Å |
| 58 | C | 58.4 | Low | 44.9 | Very low | 22 Ų | 22 | 118.9 Ų | 118.9 | 15% | 0.149 | 65% | 0.651 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 136.3 | 171.8 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | C44 E60 C61 | C44-C58 HydrophobicContact CB-CB 4.04Å; C44-C58 WeakPolarHBondContact CB-SG 3.14Å; C44-C58 WeakPolarHBondContact SG-CB 3.35Å; C44-C58 CovalentContact SG-SG 2.04Å; C44-C58 PolarHBondContact SG-SG 2.94Å; C58-E60 VanDerWaalsContact C-N 3.29Å; C58-E60 PolarHBondContact O-N 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.35Å; C58-C61 PolarHBondContact O-N 3.21Å; C58-C61 VanDerWaalsContact O-N 3.14Å |
| 59 | P | 51.3 | Low | 44.5 | Very low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -56.4 | -34.9 | -175.5 | -29.2 | 36 | 0 | 0 | 0 | 115.4 | ||
| 60 | E | 49.4 | Very low | 44.3 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 81% | 0.808 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -75.8 | -19.2 | -178.5 | -64.5 | -148.4 | 124.5 | 0 | 0 | 114.5 | C58 V62 A63 | C58-E60 VanDerWaalsContact C-N 3.29Å; C58-E60 PolarHBondContact O-N 3.49Å; E60-V62 PolarHBondContact O-N 2.78Å; E60-A63 WeakPolarHBondContact O-CB 3.44Å; E60-A63 PolarHBondContact O-N 3.12Å |
| 61 | C | 46.3 | Very low | 43.6 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -62.2 | -18.5 | 179.8 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | C58 A63 | C58-C61 WeakPolarHBondContact O-CB 3.35Å; C58-C61 PolarHBondContact O-N 3.21Å; C58-C61 VanDerWaalsContact O-N 3.14Å; C61-A63 PolarHBondContact O-N 3.26Å |
| 62 | V | 47.4 | Very low | 42.9 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -68.9 | -19.3 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | E60 | E60-V62 PolarHBondContact O-N 2.78Š|
| 63 | A | 43.9 | Very low | 42 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -94 | -17.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E60 C61 | E60-A63 WeakPolarHBondContact O-CB 3.44Å; E60-A63 PolarHBondContact O-N 3.12Å; C61-A63 PolarHBondContact O-N 3.26Å |
| 64 | K | 34.6 | Very low | 40.8 | Very low | 183 Ų | 183 | 118.6 Ų | 118.6 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | trans | -140 | 100.7 | -172.2 | -70.9 | 177.6 | -175.5 | 163.1 | 0 | 113.5 | R66 | K64-R66 PolarHBondContact O-N 3.38Š| ||
| 65 | N | 32.1 | Very low | 39.9 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | trans | -68.6 | 93.9 | 161.6 | -85.7 | -50.5 | 0 | 0 | 0 | 110.3 | ||||
| 66 | R | 34 | Very low | 38.6 | Very low | 208 Ų | 208 | 122.5 Ų | 122.5 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | trans | -133.1 | 133.3 | 156 | -84.9 | -165.8 | 172.8 | -176.4 | -3.5 | 109.9 | K64 | K64-R66 PolarHBondContact O-N 3.38Š| ||
| 67 | V | 29.6 | Very low | 37.4 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -122.3 | 101.6 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 68 | E | 31.6 | Very low | 36.2 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | trans | -152.6 | 128.8 | 177.8 | -109.2 | 161.7 | -160.7 | 0 | 0 | 107.3 | V70 | E68-V70 PolarHBondContact O-N 3.38Š| ||
| 69 | P | 28.5 | Very low | 35 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | trans | -75.3 | 111 | 178.7 | 29.7 | -32.3 | 0 | 0 | 0 | 109.7 | L71 | P69-L71 PolarHBondContact O-N 3.43Å; P69-L71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | V | 33.1 | Very low | 34.1 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -74.9 | 105.3 | -179.4 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | E68 | E68-V70 PolarHBondContact O-N 3.38Š| ||
| 71 | L | 27.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | -59.7 | 131.4 | 166 | -152.6 | 78.8 | 0 | 0 | 0 | 109 | P69 Q73 | P69-L71 PolarHBondContact O-N 3.43Å; P69-L71 VanDerWaalsContact O-N 3.12Å; L71-Q73 PolarHBondContact O-N 3.29Å | ||
| 72 | P | 30.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -72.4 | 87.9 | -177.4 | 28.6 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 73 | Q | 31.2 | Very low | 32.3 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -77 | 120.6 | 168.6 | -69.1 | -169.9 | -6.2 | 0 | 0 | 109.9 | L71 | L71-Q73 PolarHBondContact O-N 3.29Š| ||
| 74 | A | 25.9 | Very low | 31.7 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -78.9 | 130.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | T | 32.1 | Very low | 31.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -167.5 | 156.8 | 150.8 | 10.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 76 | P | 30.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | trans | -89.8 | 154.3 | -155.6 | 34.2 | -36.9 | 0 | 0 | 0 | 115.4 | T78 | P76-T78 PolarHBondContact O-N 3.25Š| ||
| 77 | R | 32 | Very low | 31.5 | Very low | 172 Ų | 172 | 142 Ų | 142 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -77.8 | 103 | 169.4 | -78.2 | -175.8 | 167.7 | -166.4 | -5 | 111.6 | E46 | E46-R77 VanDerWaalsContact CD-NH2 3.29Å; E46-R77 IonicContact OE1-CZ 3.7Å; E46-R77 IonicContact OE1-NH1 2.73Å; E46-R77 PolarHBondContact OE1-NH1 3.22Å; E46-R77 IonicContact OE1-NH2 3.86Å; E46-R77 PolarHBondContact OE1-NH2 3.15Å; E46-R77 IonicContact OE2-CZ 3.99Å; E46-R77 IonicContact OE2-NH1 3.71Å; E46-R77 PolarHBondContact OE2-NH1 2.77Å; E46-R77 IonicContact OE2-NH2 2.74Å; E46-R77 PolarHBondContact OE2-NH2 3.47Å | ||
| 78 | T | 30.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -70.1 | 128 | 161.2 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | P76 | P76-T78 PolarHBondContact O-N 3.25Š| ||
| 79 | Y | 32.7 | Very low | 31.9 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -92.6 | 142.7 | 164.7 | -98.5 | -108 | 0 | 0 | 0 | 109.7 | ||||
| 80 | T | 33.2 | Very low | 32 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -132.6 | 96.4 | 168.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 81 | D | 31.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -67.4 | 165.4 | 152.1 | -70.9 | -64 | 0 | 0 | 0 | 109 | ||||
| 82 | E | 31.5 | Very low | 32.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -156.3 | -152.6 | 20.4 | -145.3 | -153.3 | 156.9 | 0 | 0 | 108.4 | ||||
| 83 | P | 40.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | -111.7 | 165.2 | -78.1 | 26.5 | -8.7 | 0 | 0 | 0 | 114.3 | |||||
| 84 | R | 31.6 | Very low | 32.8 | Very low | 249 Ų | 249 | 142.1 Ų | 142.1 | 94% | 0.94 | 77% | 0.769 | S | S | * | * | trans | -150.1 | 118.1 | 143.4 | -139.1 | -178.9 | -177.2 | 178.2 | 2 | 116.9 | ||||
| 85 | S | 30.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 159 | 161.6 | -135.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 86 | T | 31.8 | Very low | 33.6 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | cis | -155 | 157.3 | 19.9 | 40.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 87 | K | 35.4 | Very low | 33.8 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | -172.5 | 158.7 | 121.3 | -104.6 | 166.8 | -175.2 | 176.1 | 0 | 112.4 | |||||
| 88 | T | 31.6 | Very low | 34 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 136.7 | -158.5 | -37.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 89 | S | 36.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 147 Ų | 147 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -152.6 | 101.5 | 154 | 57 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 90 | R | 31.6 | Very low | 35.1 | Very low | 216 Ų | 216 | 144.2 Ų | 144.2 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -97 | 162 | 163.4 | -145.2 | -178.2 | -173.9 | -164.6 | 1.8 | 107.6 | ||||
| 91 | P | 40.6 | Very low | 35.5 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | -146.6 | 163 | 93.7 | 39.9 | -24.7 | 0 | 0 | 0 | 115.4 | |||||
| 92 | T | 33.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 21.7 | 140.6 | 149.4 | 57.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 93 | A | 34.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | cis | -153.3 | 170 | 26.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 94 | E | 30.6 | Very low | 36.9 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -97.1 | -176.5 | 159 | -41.2 | 178.7 | 154.6 | 0 | 0 | 108.8 | ||||
| 95 | P | 41.8 | Very low | 37.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -135.9 | -163.3 | -6.6 | 39.5 | -20 | 0 | 0 | 0 | 113.8 | ||||
| 96 | A | 33.3 | Very low | 37.5 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 104.8 | 143.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 97 | Y | 34.2 | Very low | 38 | Very low | 234 Ų | 234 | 137.4 Ų | 137.4 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 136.4 | -177.5 | -70.9 | -104.3 | 0 | 0 | 0 | 112.1 | ||||
| 98 | T | 35.7 | Very low | 37.9 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -141.8 | 148.3 | 154.7 | -41.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | L | 36.5 | Very low | 38 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 148.7 | 176.8 | -68.1 | 163.9 | 0 | 0 | 0 | 111.1 | ||
| 100 | P | 50.5 | Low | 38.1 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 134.6 | 174.4 | 26.9 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 101 | P | 41.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 153.6 | 177.3 | 29.8 | -34.9 | 0 | 0 | 0 | 111.3 | ||
| 102 | P | 39.2 | Very low | 39 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.1 | 173.2 | 28.9 | -35 | 0 | 0 | 0 | 110.8 | ||
| 103 | P | 48.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.3 | -179.5 | 27.1 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 104 | P | 45.7 | Very low | 39.9 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.1 | 177.1 | 29.7 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 105 | P | 42.7 | Very low | 41 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75 | 164.5 | 167.9 | 33.9 | -35.6 | 0 | 0 | 0 | 111.3 | ||
| 106 | L | 33.2 | Very low | 41.6 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 121.9 | 150.9 | 171.7 | -72 | 163.6 | 0 | 0 | 0 | 112.1 | ||||
| 107 | P | 40.4 | Very low | 42.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -131 | -170.7 | -26.8 | 37.5 | -20.2 | 0 | 0 | 0 | 112.7 | ||||
| 108 | D | 35.1 | Very low | 43.3 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -53.7 | 139 | 179.2 | -73.4 | -71.9 | 0 | 0 | 0 | 115 | ||||
| 109 | G | 33.7 | Very low | 44.5 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -82.5 | 178.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 110 | S | 38.2 | Very low | 45.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -136.9 | 151.9 | 165.6 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 111 | P | 47.5 | Very low | 45.6 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.2 | -172.6 | -16.1 | 31.3 | 0 | 0 | 0 | 112 | ||
| 112 | G | 43.7 | Very low | 46.4 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | R114 | G112-R114 PolarHBondContact O-N 3.47Š|
| 113 | L | 42.8 | Very low | 47.3 | Very low | 178 Ų | 178 | 119.7 Ų | 119.7 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.3 | 174.9 | -72.7 | 168.8 | 0 | 0 | 0 | 110.1 | G115 | L113-G115 PolarHBondContact O-N 3.41Š|
| 114 | R | 42.3 | Very low | 47.6 | Very low | 222 Ų | 222 | 117 Ų | 117 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 121.1 | 168.5 | -173 | -175.9 | -172.3 | -163.2 | 2.8 | 107.7 | G112 | G112-R114 PolarHBondContact O-N 3.47Š|
| 115 | G | 54.2 | Low | 48.2 | Very low | 52 Ų | 52 | 117.1 Ų | 117.1 | 54% | 0.536 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 158.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L113 | L113-G115 PolarHBondContact O-N 3.41Š|
| 116 | P | 54.3 | Low | 48.9 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 145.2 | 176.3 | 25.4 | -34.2 | 0 | 0 | 0 | 110.2 | G118 | P116-G118 PolarHBondContact O-N 3.08Å; P116-G118 VanDerWaalsContact O-N 3.16Å |
| 117 | I | 53.2 | Low | 49.5 | Very low | 144 Ų | 144 | 112.8 Ų | 112.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120 | 167.9 | -65.1 | 173.5 | 0 | 0 | 0 | 105.9 | ||
| 118 | G | 51 | Low | 49.8 | Very low | 51 Ų | 51 | 114.7 Ų | 114.7 | 53% | 0.526 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 151.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P116 | P116-G118 PolarHBondContact O-N 3.08Å; P116-G118 VanDerWaalsContact O-N 3.16Å |
| 119 | P | 60 | Low | 50.6 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 145.9 | 176.2 | 25.3 | -34.4 | 0 | 0 | 0 | 109.6 | G121 | P119-G121 PolarHBondContact O-N 3.18Š|
| 120 | P | 58.4 | Low | 51 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 130.1 | 169.2 | -24.3 | 34 | 0 | 0 | 0 | 108.9 | ||
| 121 | G | 52.4 | Low | 51.2 | Low | 59 Ų | 59 | 115 Ų | 115 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 146.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | P119 | P119-G121 PolarHBondContact O-N 3.18Š|
| 122 | P | 58.2 | Low | 50.9 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 142.7 | 176.5 | 24.5 | -34 | 0 | 0 | 0 | 109.1 | G124 | P122-G124 PolarHBondContact O-N 3.47Š|
| 123 | P | 58.1 | Low | 50.8 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -49 | 132 | 169.5 | -25 | 34.2 | 0 | 0 | 0 | 108.8 | ||
| 124 | G | 54.9 | Low | 50.7 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 147.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P122 | P122-G124 PolarHBondContact O-N 3.47Š|
| 125 | P | 57.2 | Low | 50.5 | Low | 120 Ų | 120 | 111.6 Ų | 111.6 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 142.3 | 177.7 | 23.8 | -33.9 | 0 | 0 | 0 | 109.2 | G127 | P125-G127 PolarHBondContact O-N 3.25Å; P125-G127 VanDerWaalsContact O-N 3.09Å |
| 126 | P | 57.9 | Low | 49.7 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 123.7 | 169.8 | -23.8 | 33.6 | 0 | 0 | 0 | 108.2 | D128 | P126-D128 PolarHBondContact O-N 3.16Š|
| 127 | G | 46.5 | Very low | 48.7 | Very low | 68 Ų | 68 | 113.7 Ų | 113.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138 | 178 | 0 | 0 | 0 | 0 | 0 | 109.3 | P125 | P125-G127 PolarHBondContact O-N 3.25Å; P125-G127 VanDerWaalsContact O-N 3.09Å |
| 128 | D | 45.4 | Very low | 48.3 | Very low | 151 Ų | 151 | 112.6 Ų | 112.6 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 135.8 | -174.6 | -60.4 | -68.7 | 0 | 0 | 0 | 110.6 | P126 G130 | P126-D128 PolarHBondContact O-N 3.16Å; D128-G130 PolarHBondContact O-N 3.1Å |
| 129 | P | 52.5 | Low | 47.7 | Very low | 123 Ų | 123 | 113.5 Ų | 113.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 117.6 | 172.4 | -25.5 | 34.5 | 0 | 0 | 0 | 108.8 | L131 | P129-L131 PolarHBondContact O-N 3.18Š|
| 130 | G | 43.3 | Very low | 46.8 | Very low | 65 Ų | 65 | 116.1 Ų | 116.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D128 D132 | D128-G130 PolarHBondContact O-N 3.1Å; G130-D132 PolarHBondContact O-N 3.47Å |
| 131 | L | 40.7 | Very low | 46.1 | Very low | 171 Ų | 171 | 116.1 Ų | 116.1 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -52.6 | 114.1 | -177.1 | -74.4 | 166.1 | 0 | 0 | 0 | 109.8 | P129 G133 | P129-L131 PolarHBondContact O-N 3.18Å; L131-G133 PolarHBondContact O-N 3.2Å | ||
| 132 | D | 41.9 | Very low | 45.8 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55 | 122.1 | 171.4 | -70.8 | -71.4 | 0 | 0 | 0 | 108.3 | G130 E134 L1190 | G130-D132 PolarHBondContact O-N 3.47Å; D132-E134 PolarHBondContact O-N 3.36Å; D132-E134 VanDerWaalsContact O-N 3.15Å; D132-L1190 HydrophobicContact CB-CD1 4.12Å; D132-L1190 VanDerWaalsContact CG-CD1 3.46Å; D132-L1190 WeakPolarHBondContact OD2-CD1 3.46Å |
| 133 | G | 42.4 | Very low | 45.1 | Very low | 68 Ų | 68 | 116.3 Ų | 116.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 119.5 | -158.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L131 N135 | L131-G133 PolarHBondContact O-N 3.2Å; G133-N135 PolarHBondContact O-N 3.09Å |
| 134 | E | 39 | Very low | 44.5 | Very low | 176 Ų | 176 | 116.2 Ų | 116.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129 | 172.3 | -70 | -166.6 | 121.6 | 0 | 0 | 110 | D132 G136 | D132-E134 PolarHBondContact O-N 3.36Å; D132-E134 VanDerWaalsContact O-N 3.15Å; E134-G136 PolarHBondContact O-N 3.34Å; E134-G136 VanDerWaalsContact O-N 3.11Å |
| 135 | N | 39.9 | Very low | 43.8 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.8 | 174.1 | -71.3 | -75 | 0 | 0 | 0 | 108.4 | G133 L137 | G133-N135 PolarHBondContact O-N 3.09Å; N135-L137 PolarHBondContact O-N 2.77Å |
| 136 | G | 35.9 | Very low | 43.4 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 121.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E134 | E134-G136 PolarHBondContact O-N 3.34Å; E134-G136 VanDerWaalsContact O-N 3.11Å |
| 137 | L | 34.9 | Very low | 43 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -45 | 131.3 | 164.2 | -77.5 | 163.3 | 0 | 0 | 0 | 109.2 | N135 G139 | N135-L137 PolarHBondContact O-N 2.77Å; L137-G139 PolarHBondContact O-N 2.67Å | ||
| 138 | P | 43.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 118.2 | 170.1 | -25.2 | 34.4 | 0 | 0 | 0 | 108.5 | M140 | P138-M140 PolarHBondContact O-N 2.87Š|
| 139 | G | 39.1 | Very low | 42.8 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 129.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L137 | L137-G139 PolarHBondContact O-N 2.67Š|
| 140 | M | 40 | Very low | 42.7 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 134.1 | 179.5 | -69 | -177.4 | 72.4 | 0 | 0 | 109.5 | P138 G142 | P138-M140 PolarHBondContact O-N 2.87Å; M140-G142 PolarHBondContact O-N 3.33Å |
| 141 | P | 44.6 | Very low | 43 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 123.2 | 174.2 | -27.9 | 35.1 | 0 | 0 | 0 | 109.1 | ||
| 142 | G | 45.4 | Very low | 43.5 | Very low | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 141.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M140 | M140-G142 PolarHBondContact O-N 3.33Š|
| 143 | P | 44.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 135.5 | -174.2 | 22 | -33.7 | 0 | 0 | 0 | 109.5 | G145 | P143-G145 PolarHBondContact O-N 3Š|
| 144 | P | 46.1 | Very low | 44.6 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 128.3 | 179.6 | -29.6 | 35.3 | 0 | 0 | 0 | 110.3 | ||
| 145 | G | 39.3 | Very low | 45.3 | Very low | 61 Ų | 61 | 116.7 Ų | 116.7 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 143.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P143 | P143-G145 PolarHBondContact O-N 3Š|
| 146 | P | 49.4 | Very low | 46 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 130.1 | -165.6 | 19.8 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 147 | P | 48.3 | Very low | 46.9 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 60% | 0.604 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.6 | -177.8 | 24.5 | -33.8 | 0 | 0 | 0 | 109.7 | V151 | P147-V151 HydrophobicContact CB-CG2 4.22Å; P147-V151 HydrophobicContact CG-CG2 4.15Å |
| 148 | P | 44.5 | Very low | 47.4 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 150 | 179.5 | 24.8 | -33.9 | 0 | 0 | 0 | 110.9 | D150 | P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 2.99Å |
| 149 | Q | 43.2 | Very low | 47.4 | Very low | 196 Ų | 196 | 119.1 Ų | 119.1 | 92% | 0.916 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -70.3 | 68.3 | -168.4 | -63.8 | 175.7 | -40.1 | 0 | 0 | 113.5 | ||
| 150 | D | 50.2 | Low | 47.4 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -158.6 | 28.4 | 173.6 | -104.4 | -32.3 | 0 | 0 | 0 | 113.6 | P148 D152 D153 | P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 2.99Å; D150-D152 PolarHBondContact O-N 2.83Å; D150-D153 PolarHBondContact O-N 2.84Å | ||
| 151 | V | 49.8 | Very low | 47.1 | Very low | 82 Ų | 82 | 119 Ų | 119 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -62.3 | -28.1 | -178.6 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | P147 Y154 M155 | P147-V151 HydrophobicContact CB-CG2 4.22Å; P147-V151 HydrophobicContact CG-CG2 4.15Å; V151-Y154 PolarHBondContact O-N 3.06Å; V151-M155 PolarHBondContact O-N 2.83Å |
| 152 | D | 52 | Low | 46.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68 | -33.9 | 177.9 | -79.7 | -66.6 | 0 | 0 | 0 | 114.3 | D150 Y154 M155 Q156 | D150-D152 PolarHBondContact O-N 2.83Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.39Å; D152-M155 CarbonylContact O-C 3.43Å; D152-M155 PolarHBondContact O-N 2.75Å; D152-Q156 WeakPolarHBondContact O-CB 3.38Å; D152-Q156 WeakPolarHBondContact O-CG 3.49Å; D152-Q156 PolarHBondContact O-N 3.07Å |
| 153 | D | 53.5 | Low | 46.1 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 37% | 0.369 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71.2 | -25 | 179.2 | -168.1 | 46.5 | 0 | 0 | 0 | 111.7 | D150 R157 | D150-D153 PolarHBondContact O-N 2.84Å; D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 WeakPolarHBondContact O-CD 3.24Å; D153-R157 WeakPolarHBondContact O-CG 3.3Å; D153-R157 PolarHBondContact O-N 3.17Å; D153-R157 VanDerWaalsContact O-N 3.11Å; D153-R157 IonicContact OD1-NE 3.87Å; D153-R157 PolarHBondContact OD1-NE 3.45Å; D153-R157 IonicContact OD1-NH2 3.07Å; D153-R157 IonicContact OD2-CZ 2.79Å; D153-R157 IonicContact OD2-NE 2.64Å; D153-R157 PolarHBondContact OD2-NE 3.04Å; D153-R157 IonicContact OD2-NH2 2.75Å; D153-R157 PolarHBondContact OD2-NH2 2.82Å |
| 154 | Y | 53.4 | Low | 45.6 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.5 | -44.3 | 169 | -167.7 | -107.2 | 0 | 0 | 0 | 111.6 | V151 D152 Q156 R157 S158 | V151-Y154 PolarHBondContact O-N 3.06Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.39Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.36Å; Y154-R157 PolarHBondContact O-N 3.08Å; Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 VanDerWaalsContact O-N 3.11Å; Y154-S158 PolarHBondContact O-OG 2.71Å |
| 155 | M | 54.4 | Low | 45.1 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 42% | 0.424 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72.6 | -21.6 | 178.2 | -79.6 | -75 | -87.4 | 0 | 0 | 114.3 | V151 D152 S158 R159 | V151-M155 PolarHBondContact O-N 2.83Å; D152-M155 CarbonylContact O-C 3.43Å; D152-M155 PolarHBondContact O-N 2.75Å; M155-S158 PolarHBondContact O-OG 3.08Å; M155-S158 VanDerWaalsContact O-OG 3.12Å; M155-R159 WeakPolarHBondContact O-CD 3.39Å; M155-R159 WeakPolarHBondContact O-CG 3.08Å |
| 156 | Q | 55.1 | Low | 44.8 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.5 | -33.2 | 171 | -71 | -173.2 | 30.9 | 0 | 0 | 112 | D152 Y154 R159 A160 | D152-Q156 WeakPolarHBondContact O-CB 3.38Å; D152-Q156 WeakPolarHBondContact O-CG 3.49Å; D152-Q156 PolarHBondContact O-N 3.07Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.36Å; Q156-R159 CarbonylContact O-C 3.32Å; Q156-R159 PolarHBondContact O-N 2.92Å; Q156-A160 WeakPolarHBondContact O-CB 3.33Å; Q156-A160 PolarHBondContact O-N 3.09Å |
| 157 | R | 53.8 | Low | 44.1 | Very low | 165 Ų | 165 | 127 Ų | 127 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.7 | -38.2 | 173.5 | -74.6 | 170.5 | -165.6 | -136.5 | 4.9 | 113 | D153 Y154 R159 A160 | D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 WeakPolarHBondContact O-CD 3.24Å; D153-R157 WeakPolarHBondContact O-CG 3.3Å; D153-R157 PolarHBondContact O-N 3.17Å; D153-R157 VanDerWaalsContact O-N 3.11Å; D153-R157 IonicContact OD1-NE 3.87Å; D153-R157 PolarHBondContact OD1-NE 3.45Å; D153-R157 IonicContact OD1-NH2 3.07Å; D153-R157 IonicContact OD2-CZ 2.79Å; D153-R157 IonicContact OD2-NE 2.64Å; D153-R157 PolarHBondContact OD2-NE 3.04Å; D153-R157 IonicContact OD2-NH2 2.75Å; D153-R157 PolarHBondContact OD2-NH2 2.82Å; Y154-R157 PolarHBondContact O-N 3.08Å; R157-R159 PolarHBondContact O-N 2.7Å; R157-A160 PolarHBondContact O-N 2.92Å; R157-A160 VanDerWaalsContact O-N 3.17Å |
| 158 | S | 46.2 | Very low | 43.4 | Very low | 75 Ų | 75 | 131 Ų | 131 | 52% | 0.524 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -65.5 | -27.2 | 171.8 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | Y154 M155 | Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 VanDerWaalsContact O-N 3.11Å; Y154-S158 PolarHBondContact O-OG 2.71Å; M155-S158 PolarHBondContact O-OG 3.08Å; M155-S158 VanDerWaalsContact O-OG 3.12Å |
| 159 | R | 44 | Very low | 42.7 | Very low | 191 Ų | 191 | 133 Ų | 133 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -3.7 | 173.3 | -71.3 | 175.1 | 169.1 | 148 | -4.2 | 114.5 | M155 Q156 R157 | M155-R159 WeakPolarHBondContact O-CD 3.39Å; M155-R159 WeakPolarHBondContact O-CG 3.08Å; Q156-R159 CarbonylContact O-C 3.32Å; Q156-R159 PolarHBondContact O-N 2.92Å; R157-R159 PolarHBondContact O-N 2.7Å |
| 160 | A | 39 | Very low | 42.2 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -16.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q156 R157 I162 | Q156-A160 WeakPolarHBondContact O-CB 3.33Å; Q156-A160 PolarHBondContact O-N 3.09Å; R157-A160 PolarHBondContact O-N 2.92Å; R157-A160 VanDerWaalsContact O-N 3.17Å; A160-I162 PolarHBondContact O-N 3.32Å |
| 161 | M | 33.6 | Very low | 41.2 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -95.3 | 70.1 | 172 | -67.1 | -163.7 | -175.9 | 0 | 0 | 111.7 | ||
| 162 | I | 35.4 | Very low | 40.2 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -180 | 110.8 | 141.8 | -90.5 | 149.1 | 0 | 0 | 0 | 109.1 | A160 | A160-I162 PolarHBondContact O-N 3.32Š| ||
| 163 | K | 33.6 | Very low | 39.1 | Very low | 212 Ų | 212 | 135 Ų | 135 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | trans | -138.4 | 129.7 | 156.4 | -74.9 | -177.8 | 176.5 | 178.9 | 0 | 104.7 | ||||
| 164 | G | 32.3 | Very low | 38 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | cis | -169.1 | -149.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 165 | P | 36.3 | Very low | 36.9 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | cis | -120 | -173.1 | 4 | 42 | -28.6 | 0 | 0 | 0 | 113.4 | ||||
| 166 | V | 31.9 | Very low | 35.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -85.4 | 144.9 | -178.8 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 167 | G | 35.3 | Very low | 34.7 | Very low | 75 Ų | 75 | 145.2 Ų | 145.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -157.8 | 132.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 168 | E | 33.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -92.8 | 147.5 | -167.5 | -62.7 | 171.7 | 128.4 | 0 | 0 | 113.1 | ||||
| 169 | N | 30.1 | Very low | 33 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 99.1 | 162.2 | -63.7 | -12.8 | 0 | 0 | 0 | 119.8 | ||||
| 170 | V | 32.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 146 Ų | 146 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | -149.6 | 150.6 | 120.5 | 169.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 171 | T | 30.5 | Very low | 32.3 | Very low | 102 Ų | 102 | 145 Ų | 145 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | trans | -85.3 | 164.9 | -175.8 | 47.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 172 | M | 26.9 | Very low | 32.7 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 48% | 0.483 | 78% | 0.783 | S | S | . | * | trans | 18.9 | 109.8 | 157.8 | -62.3 | -164.3 | -179.9 | 0 | 0 | 119.5 | Q1411 L1412 | M172-Q1411 HydrophobicContact CE-CB 3.66Å; M172-Q1411 HydrophobicContact SD-CB 3.51Å; M172-Q1411 VanDerWaalsContact SD-CB 3.51Å; M172-Q1411 HydrophobicContact SD-CG 4.33Å; M172-L1412 HydrophobicContact CE-CD2 3.76Å; M172-L1412 HydrophobicContact CE-CG 4.21Å | ||
| 173 | Y | 28.9 | Very low | 33.1 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | -175.5 | 101 | 103.7 | -115.3 | -82.9 | 0 | 0 | 0 | 109.9 | |||||
| 174 | Q | 30.5 | Very low | 33.3 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -158.7 | 72.7 | 161.3 | -143.8 | 171.3 | 47.3 | 0 | 0 | 111.8 | ||||
| 175 | D | 30.5 | Very low | 33.8 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -98.1 | 152.1 | 151.9 | -153.1 | -22.2 | 0 | 0 | 0 | 108.6 | ||||
| 176 | I | 33.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 67% | 0.672 | 78% | 0.776 | S | S | * | * | trans | 64 | 124.7 | 171.2 | -51.7 | -177 | 0 | 0 | 0 | 116.5 | ||||
| 177 | R | 31.6 | Very low | 34.6 | Very low | 217 Ų | 217 | 135.6 Ų | 135.6 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | cis | -170.7 | 141.1 | -20.8 | -114.9 | 174.5 | -154.3 | -173.9 | 6.9 | 106.8 | ||||
| 178 | V | 29.9 | Very low | 35 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -142.8 | 97.7 | 143.5 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 179 | T | 32.9 | Very low | 35.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 39.5 | 105.4 | 160.4 | 62 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 180 | M | 31.3 | Very low | 36.2 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 97% | 0.966 | 76% | 0.76 | S | S | * | * | -97.8 | 147.8 | 93.2 | -76 | -170.6 | 167.6 | 0 | 0 | 108.1 | |||||
| 181 | G | 38.2 | Very low | 36.5 | Very low | 55 Ų | 55 | 132 Ų | 132 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | trans | -72.4 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 182 | P | 40.9 | Very low | 37.4 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 154.5 | 157.8 | 29.4 | -35.4 | 0 | 0 | 0 | 109.2 | G184 | P182-G184 PolarHBondContact O-N 3.32Å; P182-G184 VanDerWaalsContact O-N 3.14Å |
| 183 | P | 45.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 125.4 | 157.4 | -20.6 | 32.6 | 0 | 0 | 0 | 107.4 | ||
| 184 | G | 36.4 | Very low | 38.8 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 148 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P182 | P182-G184 PolarHBondContact O-N 3.32Å; P182-G184 VanDerWaalsContact O-N 3.14Å |
| 185 | E | 43.1 | Very low | 39.3 | Very low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -44.1 | 130.6 | 175.7 | -65.4 | -178.4 | 130.4 | 0 | 0 | 109.5 | G187 | E185-G187 PolarHBondContact O-N 3.01Š| ||
| 186 | P | 46.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -53.7 | 106 | 175.7 | -26.4 | 35.2 | 0 | 0 | 0 | 108.9 | A188 | P186-A188 PolarHBondContact O-N 2.81Å; P186-A188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | G | 39.1 | Very low | 40.6 | Very low | 66 Ų | 66 | 120.2 Ų | 120.2 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | -52.3 | 124.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E185 P189 | E185-G187 PolarHBondContact O-N 3.01Å; G187-P189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | A | 42.3 | Very low | 41.4 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -33.7 | 115.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P186 G190 | P186-A188 PolarHBondContact O-N 2.81Å; P186-A188 VanDerWaalsContact O-N 3.16Å; A188-G190 PolarHBondContact O-N 2.99Å | ||
| 189 | P | 48.6 | Very low | 42.3 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -46.6 | 110.9 | -164.9 | -33.3 | 35.5 | 0 | 0 | 0 | 111.7 | G187 F191 | G187-P189 VanDerWaalsContact O-N 3.16Å; P189-F191 PolarHBondContact O-N 2.88Å; P189-F191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | G | 41.1 | Very low | 43 | Very low | 71 Ų | 71 | 112.1 Ų | 112.1 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -52.9 | 123.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A188 | A188-G190 PolarHBondContact O-N 2.99Š| ||
| 191 | F | 39.5 | Very low | 43.7 | Very low | 203 Ų | 203 | 110.6 Ų | 110.6 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -29.4 | 116.3 | -167.4 | -81.4 | -83 | 0 | 0 | 0 | 111.6 | P189 G193 | P189-F191 PolarHBondContact O-N 2.88Å; P189-F191 VanDerWaalsContact O-N 3.13Å; F191-G193 PolarHBondContact O-N 3.02Å | ||
| 192 | P | 48.5 | Very low | 44.4 | Very low | 101 Ų | 101 | 110.9 Ų | 110.9 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | -53.2 | 112.1 | -168.7 | 19.1 | -31.9 | 0 | 0 | 0 | 109.2 | V194 | P192-V194 PolarHBondContact O-N 3.17Š| ||
| 193 | G | 42.9 | Very low | 44.7 | Very low | 72 Ų | 72 | 114.5 Ų | 114.5 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -52.8 | 118.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F191 I195 | F191-G193 PolarHBondContact O-N 3.02Å; G193-I195 PolarHBondContact O-N 3.46Å; G193-I195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | V | 42.6 | Very low | 45.2 | Very low | 142 Ų | 142 | 114 Ų | 114 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -25.5 | 107.4 | -159.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | P192 G196 | P192-V194 PolarHBondContact O-N 3.17Å; V194-G196 PolarHBondContact O-N 2.83Å | ||
| 195 | I | 42 | Very low | 46.2 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -48.4 | 108.6 | -175.8 | -63.7 | 174.8 | 0 | 0 | 0 | 107.7 | G193 T197 | G193-I195 PolarHBondContact O-N 3.46Å; G193-I195 VanDerWaalsContact O-N 3.1Å; I195-T197 PolarHBondContact O-N 2.89Å | ||
| 196 | G | 45.3 | Very low | 46.7 | Very low | 63 Ų | 63 | 111.3 Ų | 111.3 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -56.8 | 119.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | V194 | V194-G196 PolarHBondContact O-N 2.83Š| ||
| 197 | T | 44.6 | Very low | 46.9 | Very low | 129 Ų | 129 | 113.1 Ų | 113.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -44.1 | 120.5 | -179.1 | 47.9 | 0 | 0 | 0 | 0 | 108.1 | I195 G199 | I195-T197 PolarHBondContact O-N 2.89Å; T197-G199 PolarHBondContact O-N 2.67Å | ||
| 198 | P | 48.5 | Very low | 47.6 | Very low | 115 Ų | 115 | 113 Ų | 113 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 119 | -172.8 | -32 | 35.8 | 0 | 0 | 0 | 109.6 | ||
| 199 | G | 49.4 | Very low | 47.9 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52 | 134.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T197 I201 | T197-G199 PolarHBondContact O-N 2.67Å; G199-I201 PolarHBondContact O-N 2.95Å |
| 200 | P | 47.6 | Very low | 48.5 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.5 | -173.9 | 21.8 | -33.4 | 0 | 0 | 0 | 108 | G202 | P200-G202 PolarHBondContact O-N 2.94Š|
| 201 | I | 46.5 | Very low | 49.2 | Very low | 164 Ų | 164 | 114.8 Ų | 114.8 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -48.8 | 115 | -173.7 | -65.9 | 174.6 | 0 | 0 | 0 | 106.7 | G199 Q203 | G199-I201 PolarHBondContact O-N 2.95Å; I201-Q203 PolarHBondContact O-N 2.83Å | ||
| 202 | G | 51 | Low | 49.7 | Very low | 62 Ų | 62 | 111 Ų | 111 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | -53.6 | 129.5 | -176 | 0 | 0 | 0 | 0 | 0 | 107.9 | P200 S204 | P200-G202 PolarHBondContact O-N 2.94Å; G202-S204 PolarHBondContact O-N 3.16Å | ||
| 203 | Q | 47.6 | Very low | 49.9 | Very low | 190 Ų | 190 | 112.1 Ų | 112.1 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -45.8 | 121.4 | -176.2 | -74.1 | -178.2 | -20.3 | 0 | 0 | 108.7 | I201 G205 | I201-Q203 PolarHBondContact O-N 2.83Å; Q203-G205 PolarHBondContact O-N 2.9Å | ||
| 204 | S | 56.1 | Low | 50.4 | Low | 117 Ų | 117 | 112 Ų | 112 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.5 | 175 | 25.2 | 0 | 0 | 0 | 0 | 107.1 | G202 | G202-S204 PolarHBondContact O-N 3.16Š|
| 205 | G | 57 | Low | 50.4 | Low | 61 Ų | 61 | 112.8 Ų | 112.8 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 139 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109 | Q203 M207 | Q203-G205 PolarHBondContact O-N 2.9Å; G205-M207 PolarHBondContact O-N 3.02Å |
| 206 | P | 54.1 | Low | 51.1 | Low | 129 Ų | 129 | 111 Ų | 111 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 123.3 | -176.4 | 22.2 | -33.3 | 0 | 0 | 0 | 108.5 | G208 | P206-G208 PolarHBondContact O-N 3.3Š|
| 207 | M | 51.5 | Low | 51.3 | Low | 162 Ų | 162 | 111.6 Ų | 111.6 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -56 | 114.4 | 179.2 | -176 | 179.7 | 75.7 | 0 | 0 | 107.1 | G205 D209 | G205-M207 PolarHBondContact O-N 3.02Å; M207-D209 PolarHBondContact O-N 3.02Å | ||
| 208 | G | 52.9 | Low | 51.3 | Low | 62 Ų | 62 | 109 Ų | 109 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P206 P210 | P206-G208 PolarHBondContact O-N 3.3Å; G208-P210 VanDerWaalsContact O-N 3.16Å |
| 209 | D | 48.8 | Very low | 51.3 | Low | 155 Ų | 155 | 112.7 Ų | 112.7 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 121.8 | -174.8 | -68.9 | -57.6 | 0 | 0 | 0 | 110.4 | M207 G211 | M207-D209 PolarHBondContact O-N 3.02Å; D209-G211 PolarHBondContact O-N 3.04Å |
| 210 | P | 60.3 | Low | 51.3 | Low | 106 Ų | 106 | 110.2 Ų | 110.2 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.9 | 179.3 | -29.1 | 36 | 0 | 0 | 0 | 110.3 | G208 | G208-P210 VanDerWaalsContact O-N 3.16Š|
| 211 | G | 57.1 | Low | 51.1 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 62% | 0.619 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 137.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111 | D209 | D209-G211 PolarHBondContact O-N 3.04Š|
| 212 | P | 48.7 | Very low | 51.2 | Low | 124 Ų | 124 | 102.8 Ų | 102.8 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 125.2 | -169.2 | 20.5 | -32.9 | 0 | 0 | 0 | 110.5 | G214 | P212-G214 PolarHBondContact O-N 3.14Š|
| 213 | P | 53.8 | Low | 51.4 | Low | 124 Ų | 124 | 101.4 Ų | 101.4 | 81% | 0.805 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 128.3 | -175.7 | -30.1 | 35.8 | 0 | 0 | 0 | 112.1 | N215 | P213-N215 PolarHBondContact O-N 3.15Š|
| 214 | G | 53.3 | Low | 51.4 | Low | 70 Ų | 70 | 97 Ų | 97 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 132.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P212 | P212-G214 PolarHBondContact O-N 3.14Š|
| 215 | N | 41.8 | Very low | 51.3 | Low | 159 Ų | 159 | 96.7 Ų | 96.7 | 85% | 0.85 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 127.5 | -179.7 | -69 | -36.7 | 0 | 0 | 0 | 111.2 | P213 G217 | P213-N215 PolarHBondContact O-N 3.15Å; N215-G217 PolarHBondContact O-N 2.94Å; N215-G217 VanDerWaalsContact O-N 3.17Å |
| 216 | P | 57.8 | Low | 50.7 | Low | 94 Ų | 94 | 96.1 Ų | 96.1 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 121.1 | 178.6 | -27.4 | 35.3 | 0 | 0 | 0 | 112.2 | ||
| 217 | G | 50.2 | Low | 50.2 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 78% | 0.784 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N215 | N215-G217 PolarHBondContact O-N 2.94Å; N215-G217 VanDerWaalsContact O-N 3.17Å |
| 218 | S | 43.4 | Very low | 49.9 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -87.3 | 136.1 | -165.9 | 59.5 | 0 | 0 | 0 | 0 | 115 | G937 D938 | S218-G937 WeakPolarHBondContact O-CA 3.22Å; S218-D938 CarbonylContact C-O 3.1Å; S218-D938 WeakPolarHBondContact CA-O 3.49Å; S218-D938 WeakPolarHBondContact CB-O 3.5Å |
| 219 | R | 47.8 | Very low | 49.5 | Very low | 193 Ų | 193 | 97.6 Ų | 97.6 | 73% | 0.728 | 64% | 0.635 | S | S | * | * | trans | -56.8 | -120.8 | -173.1 | -167.7 | -141.7 | -169.6 | 161.6 | 6.4 | 119.7 | G937 D938 | R219-G937 VanDerWaalsContact O-CA 3.26Å; R219-G937 WeakPolarHBondContact O-CA 3.06Å; R219-G937 PolarHBondContact O-N 2.83Å; R219-D938 HydrophobicContact CB-CB 3.8Å; R219-D938 WeakPolarHBondContact CD-OD2 3.27Å; R219-D938 IonicContact CZ-OD2 3.42Å; R219-D938 VanDerWaalsContact N-N 3.1Å; R219-D938 PolarHBondContact N-O 2.96Å; R219-D938 IonicContact NE-OD2 3.43Å; R219-D938 IonicContact NH1-OD2 3.34Å; R219-D938 PolarHBondContact NH1-OD2 3.05Å | ||
| 220 | G | 50.8 | Low | 49.4 | Very low | 5 Ų | 5 | 100.4 Ų | 100.4 | 5% | 0.052 | 64% | 0.64 | C | S | . | * | trans | -157.2 | 147.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E935 R936 | G220-E935 VanDerWaalsContact C-OE1 3.25Å; G220-E935 VanDerWaalsContact CA-OE1 3.25Å; G220-E935 WeakPolarHBondContact CA-OE1 3.36Å; G220-R936 CarbonylContact C-O 3.58Å; G220-R936 VanDerWaalsContact CA-C 3.49Å; G220-R936 WeakPolarHBondContact CA-O 3.49Å; G220-R936 PolarHBondContact N-O 3.46Å | ||
| 221 | H | 43.7 | Very low | 48.7 | Very low | 91 Ų | 91 | 100.2 Ų | 100.2 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | trans | -87.9 | -161.5 | -169 | -146.1 | -64.6 | 0 | 0 | 0 | 113.3 | E935 R936 | H221-E935 VanDerWaalsContact N-CA 3.26Å; H221-E935 VanDerWaalsContact N-CB 3.3Å; H221-R936 HydrophobicContact CB-CB 3.79Å; H221-R936 VanDerWaalsContact CD2-CZ 3.45Å; H221-R936 PolarHBondContact CD2-NE 3.1Å; H221-R936 PolarHBondContact CD2-NH2 3.3Å; H221-R936 PolarHBondContact N-O 2.88Å; H221-R936 PolarHBondContact NE2-NH2 2.84Å | ||
| 222 | S | 48.4 | Very low | 48.6 | Very low | 45 Ų | 45 | 100.5 Ų | 100.5 | 32% | 0.315 | 65% | 0.651 | S | S | . | * | trans | -138 | 128.8 | 147.3 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | D932 K933 | S222-D932 WeakPolarHBondContact CB-OD1 3.34Å; S222-K933 VanDerWaalsContact C-N 3.29Å; S222-K933 VanDerWaalsContact CA-CA 3.46Å; S222-K933 VanDerWaalsContact OG-CE 3.22Å; S222-K933 WeakPolarHBondContact OG-CE 3.26Å; S222-K933 PolarHBondContact OG-NZ 2.89Å | ||
| 223 | G | 54.6 | Low | 48.8 | Very low | 33 Ų | 33 | 101.1 Ų | 101.1 | 34% | 0.34 | 66% | 0.655 | S | S | . | * | trans | 169 | 133.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K933 G934 | G223-K933 CarbonylContact C-O 3.42Å; G223-K933 CarbonylContact O-C 3.53Å; G223-K933 VanDerWaalsContact O-C 3.3Å; G223-G934 VanDerWaalsContact C-N 3.34Å; G223-G934 VanDerWaalsContact N-CA 3.34Å; G223-G934 VanDerWaalsContact N-N 3.14Å; G223-G934 PolarHBondContact O-N 2.67Å | ||
| 224 | P | 47.7 | Very low | 48.6 | Very low | 98 Ų | 98 | 102.2 Ų | 102.2 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | cis | -143.8 | 46.7 | 32.6 | 45.1 | -23.4 | 0 | 0 | 0 | 117.4 | G931 D932 K933 | P224-G931 CarbonylContact C-O 3.54Å; P224-G931 VanDerWaalsContact CA-O 3.3Å; P224-G931 WeakPolarHBondContact CA-O 3.37Å; P224-D932 VanDerWaalsContact C-N 3.33Å; P224-K933 WeakPolarHBondContact CD-O 3.37Å | ||
| 225 | V | 53.1 | Low | 48 | Very low | 109 Ų | 109 | 102.5 Ų | 102.5 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | trans | -43.4 | 126 | 166.7 | -57.7 | 0 | 0 | 0 | 0 | 116.6 | G931 D932 | V225-G931 CarbonylContact O-C 3.57Å; V225-G931 VanDerWaalsContact O-O 3.13Å; V225-D932 WeakPolarHBondContact CA-O 3.3Å; V225-D932 VanDerWaalsContact N-N 3.17Å; V225-D932 PolarHBondContact N-O 2.78Å; V225-D932 PolarHBondContact O-N 3.25Å | ||
| 226 | G | 44.7 | Very low | 48.2 | Very low | 50 Ų | 50 | 106 Ų | 106 | 52% | 0.515 | 66% | 0.656 | S | S | . | * | trans | -144.1 | 121.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 227 | N | 44.6 | Very low | 47.9 | Very low | 153 Ų | 153 | 107.6 Ų | 107.6 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | 63.6 | 156.8 | 136.9 | -55.5 | -40.8 | 0 | 0 | 0 | 122.8 | ||||
| 228 | D | 43.6 | Very low | 47.1 | Very low | 152 Ų | 152 | 107.4 Ų | 107.4 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 153 | -163 | -46.6 | -87.1 | 0 | 0 | 0 | 117.5 | ||
| 229 | G | 46.3 | Very low | 46.9 | Very low | 79 Ų | 79 | 112.7 Ų | 112.7 | 81% | 0.814 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -83 | 130.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 230 | K | 45.8 | Very low | 46.5 | Very low | 214 Ų | 214 | 113.9 Ų | 113.9 | 93% | 0.93 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 148.9 | -167.4 | -67.8 | 178.8 | 179.9 | 175 | 0 | 114.7 | ||
| 231 | A | 45.9 | Very low | 45.9 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 155.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 232 | G | 54.9 | Low | 45.6 | Very low | 66 Ų | 66 | 118.3 Ų | 118.3 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 161.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 233 | P | 51.8 | Low | 45.2 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 163.6 | -167.8 | 30.8 | -36 | 0 | 0 | 0 | 116 | ||
| 234 | I | 49.5 | Very low | 44.6 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 137.3 | -161 | -64.6 | 161.5 | 0 | 0 | 0 | 114.6 | R236 | I234-R236 HydrophobicContact CG2-CG 3.81Š|
| 235 | G | 42.6 | Very low | 44.3 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 147.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 236 | R | 45 | Very low | 43.9 | Very low | 232 Ų | 232 | 137.4 Ų | 137.4 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -113.2 | 166.2 | -169.3 | -91.4 | -163.1 | 171.9 | -160.3 | -2.1 | 114.9 | I234 | I234-R236 HydrophobicContact CG2-CG 3.81Š| ||
| 237 | P | 51.2 | Low | 43.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | trans | -115 | 174.9 | -143.6 | 43.2 | -37.6 | 0 | 0 | 0 | 117.2 | ||||
| 238 | G | 34.2 | Very low | 43.3 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | 133.2 | 152.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 239 | L | 39.3 | Very low | 43.2 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 97% | 0.969 | 84% | 0.841 | S | S | * | * | cis | -148 | -174.8 | -3.4 | -99.5 | 164.7 | 0 | 0 | 0 | 108.7 | ||||
| 240 | K | 39.2 | Very low | 42.7 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 95% | 0.948 | 84% | 0.839 | S | S | * | * | trans | -106.4 | 126.4 | -163.9 | -169 | 178.4 | -174.7 | 176.3 | 0 | 114.6 | ||||
| 241 | G | 37.5 | Very low | 42.7 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | 159.2 | 153.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 242 | A | 37.9 | Very low | 42.5 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | cis | -127 | -163.2 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 243 | R | 39.9 | Very low | 42 | Very low | 251 Ų | 251 | 140 Ų | 140 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | trans | -145.1 | 137.6 | -165.9 | -179.6 | -167.3 | -175.2 | -151.8 | 6.3 | 114.6 | ||||
| 244 | G | 42.8 | Very low | 41.6 | Very low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 85% | 0.848 | S | S | * | * | trans | 101 | 166.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 245 | P | 40.1 | Very low | 41.3 | Very low | 142 Ų | 142 | 141 Ų | 141 | 92% | 0.922 | 85% | 0.852 | S | S | * | * | cis | -103.4 | -156.3 | 12.8 | 40.5 | -35.3 | 0 | 0 | 0 | 115.1 | ||||
| 246 | R | 44.8 | Very low | 41.5 | Very low | 225 Ų | 225 | 140.7 Ų | 140.7 | 85% | 0.849 | 85% | 0.849 | S | S | * | * | trans | -151.9 | 140.2 | -168 | 168.6 | -169.6 | 171.4 | -136.6 | -5.9 | 112.4 | ||||
| 247 | G | 35.6 | Very low | 41.5 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | trans | 154 | 150.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 248 | M | 40.6 | Very low | 41.6 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 94% | 0.941 | 85% | 0.85 | S | S | * | * | cis | -131.4 | 173.8 | 5.2 | -75.8 | -171.4 | 175.9 | 0 | 0 | 111.4 | ||||
| 249 | P | 43.1 | Very low | 42.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 85% | 0.848 | S | S | * | * | trans | -111.9 | 143.3 | -171.1 | 37.8 | -27.5 | 0 | 0 | 0 | 116.1 | ||||
| 250 | G | 35.5 | Very low | 42.3 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | 76 | 125.3 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 251 | V | 46 | Very low | 42.6 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 97% | 0.97 | 84% | 0.843 | S | S | * | * | trans | -136.6 | 166.8 | 143.2 | -104.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 252 | M | 42.3 | Very low | 42.7 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 144.2 | -157.9 | -178.4 | 162.1 | 53 | 0 | 0 | 112.1 | ||
| 253 | G | 44.3 | Very low | 42.8 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 147.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 254 | E | 41.7 | Very low | 42.7 | Very low | 202 Ų | 202 | 134.5 Ų | 134.5 | 94% | 0.944 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 159.3 | 173.5 | -65.5 | -168.1 | 123.6 | 0 | 0 | 112.1 | ||
| 255 | A | 45 | Very low | 42.5 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 138.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 256 | G | 45.9 | Very low | 42.1 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 257 | L | 44.8 | Very low | 41.7 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 128.3 | 176.5 | -76.9 | 164.1 | 0 | 0 | 0 | 110.8 | ||
| 258 | P | 52.5 | Low | 41.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 135.1 | 176.3 | -22.7 | 34.2 | 0 | 0 | 0 | 112.6 | ||
| 259 | G | 46.6 | Very low | 41.5 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 157.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M261 | G259-M261 PolarHBondContact O-N 2.83Š|
| 260 | A | 42.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 261 | M | 45.8 | Very low | 41.5 | Very low | 175 Ų | 175 | 140 Ų | 140 | 86% | 0.862 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 118.9 | -175.1 | -168.5 | -179.5 | -62.1 | 0 | 0 | 111.1 | G259 | G259-M261 PolarHBondContact O-N 2.83Š|
| 262 | G | 38.9 | Very low | 41.2 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R264 | G262-R264 PolarHBondContact O-N 3.4Š|
| 263 | L | 41.3 | Very low | 41.3 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | trans | -79 | 85.3 | 176.6 | -74.8 | 174.8 | 0 | 0 | 0 | 111.7 | G265 | L263-G265 PolarHBondContact O-N 2.52Š| ||
| 264 | R | 37.2 | Very low | 41 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -69.4 | 114 | 159.9 | -178.6 | -178.5 | -175.5 | 172.1 | 3 | 108.8 | G262 | G262-R264 PolarHBondContact O-N 3.4Š| ||
| 265 | G | 37.5 | Very low | 41.1 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | trans | -78.8 | 142.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L263 | L263-G265 PolarHBondContact O-N 2.52Š| ||
| 266 | E | 33.3 | Very low | 40.9 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 65% | 0.654 | 83% | 0.829 | S | S | * | * | trans | -160.9 | 127.2 | 149.6 | -96.1 | -111.2 | 80.4 | 0 | 0 | 109.8 | ||||
| 267 | R | 35.4 | Very low | 40.6 | Very low | 211 Ų | 211 | 146.6 Ų | 146.6 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | 49 | 118.4 | 130.9 | -162 | -168.7 | -51.9 | -160.6 | 7.5 | 118.7 | ||||
| 268 | G | 36.5 | Very low | 40.5 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | cis | 153.3 | 146 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 269 | E | 34.9 | Very low | 40 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -82.9 | 138.4 | -170 | -65.7 | -168.5 | 140.3 | 0 | 0 | 114.9 | ||||
| 270 | R | 41.6 | Very low | 39.6 | Very low | 246 Ų | 246 | 145.7 Ų | 145.7 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | trans | -142.9 | 119.8 | 165.2 | 177.1 | -150.1 | -62.8 | -172 | -0.4 | 105.6 | ||||
| 271 | G | 37.9 | Very low | 39.6 | Very low | 67 Ų | 67 | 148 Ų | 148 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | cis | 151.2 | 147.5 | 1.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 272 | E | 39.1 | Very low | 39.9 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 147.9 | -176.2 | -63.3 | -159 | 133.5 | 0 | 0 | 113.5 | ||
| 273 | E | 45.7 | Very low | 40 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.2 | -176.2 | -69.7 | -170.9 | 99.1 | 0 | 0 | 113.1 | ||
| 274 | G | 36.8 | Very low | 40.1 | Very low | 76 Ų | 76 | 148 Ų | 148 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 140.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 275 | I | 44 | Very low | 40.8 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67 | 133.1 | 171 | 52.5 | 172.4 | 0 | 0 | 0 | 111.9 | ||
| 276 | K | 41.8 | Very low | 41.2 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 156.5 | 174.5 | -167.1 | 173.5 | 178.3 | 180 | 0 | 109.9 | ||
| 277 | G | 38.7 | Very low | 42 | Very low | 67 Ų | 67 | 147.9 Ų | 147.9 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | trans | -63.9 | -172.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 278 | M | 42 | Very low | 43.2 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | cis | -150.7 | 177.7 | 42.9 | -69.6 | 172.7 | 59.9 | 0 | 0 | 114.5 | ||||
| 279 | A | 42.3 | Very low | 43.7 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -30.1 | 159.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 280 | G | 38.5 | Very low | 44.4 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | 147.2 | 170.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 281 | D | 42.8 | Very low | 45.1 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -173.7 | 173.9 | 149.1 | -103.9 | -22.1 | 0 | 0 | 0 | 113.2 | ||||
| 282 | Y | 50.7 | Low | 45.6 | Very low | 225 Ų | 225 | 133.7 Ų | 133.7 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 123.2 | -154.1 | -78.6 | -107.3 | 0 | 0 | 0 | 117.5 | ||||
| 283 | G | 41.3 | Very low | 46.1 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 36.2 | 138.8 | 130.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 284 | P | 44.3 | Very low | 46.6 | Very low | 131 Ų | 131 | 130 Ų | 130 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -109.3 | 167.9 | 122.5 | 34.2 | -34.1 | 0 | 0 | 0 | 112.3 | G286 | P284-G286 PolarHBondContact O-N 2.88Š| |||
| 285 | K | 51.5 | Low | 47.1 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60 | 135.8 | 176.1 | -82.5 | -176.9 | 174.6 | 179 | 0 | 111.2 | ||
| 286 | G | 45.9 | Very low | 47 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P284 | P284-G286 PolarHBondContact O-N 2.88Š|
| 287 | L | 51.4 | Low | 47.5 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 158.9 | 159.7 | -68.7 | 166.7 | 0 | 0 | 0 | 109.5 | G289 | L287-G289 PolarHBondContact O-N 3.25Š|
| 288 | P | 58.9 | Low | 47.8 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.4 | 169.1 | -23 | 34 | 0 | 0 | 0 | 110.1 | ||
| 289 | G | 48.2 | Very low | 47.6 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L287 | L287-G289 PolarHBondContact O-N 3.25Š|
| 290 | P | 48.3 | Very low | 47.8 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 145.7 | 173.1 | 26.3 | -34.3 | 0 | 0 | 0 | 109.6 | G292 | P290-G292 PolarHBondContact O-N 3.39Š|
| 291 | V | 57.8 | Low | 48.2 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -55.3 | 114.9 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 292 | G | 47.5 | Very low | 48 | Very low | 50 Ų | 50 | 127.3 Ų | 127.3 | 52% | 0.515 | 78% | 0.777 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 145.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P290 K294 | P290-G292 PolarHBondContact O-N 3.39Å; G292-K294 PolarHBondContact O-N 3.24Å; G292-K294 VanDerWaalsContact O-N 3.15Å |
| 293 | P | 49.4 | Very low | 47.9 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.5 | -179.4 | 22.8 | -33.3 | 0 | 0 | 0 | 109.1 | G295 | P293-G295 PolarHBondContact O-N 3.22Š|
| 294 | K | 55.8 | Low | 48.3 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 116.6 | 177.6 | 179.9 | -176.3 | 178.7 | -174.9 | 0 | 107.4 | G292 S296 | G292-K294 PolarHBondContact O-N 3.24Å; G292-K294 VanDerWaalsContact O-N 3.15Å; K294-S296 PolarHBondContact O-N 3.14Å |
| 295 | G | 47.7 | Very low | 48.5 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 137.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111 | P293 I297 | P293-G295 PolarHBondContact O-N 3.22Å; G295-I297 PolarHBondContact O-N 3.01Å |
| 296 | S | 42 | Very low | 48.8 | Very low | 118 Ų | 118 | 125 Ų | 125 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 127.9 | 173.8 | 38.6 | 0 | 0 | 0 | 0 | 108.6 | K294 G298 | K294-S296 PolarHBondContact O-N 3.14Å; S296-G298 PolarHBondContact O-N 3.46Å |
| 297 | I | 52.4 | Low | 49 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -60.4 | 109.6 | 170 | -64 | 172.2 | 0 | 0 | 0 | 104.7 | G295 L299 | G295-I297 PolarHBondContact O-N 3.01Å; I297-L299 PolarHBondContact O-N 3.27Å | ||
| 298 | G | 44.9 | Very low | 48.9 | Very low | 60 Ų | 60 | 122.8 Ų | 122.8 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | trans | -53.7 | 136.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.6 | S296 Q300 | S296-G298 PolarHBondContact O-N 3.46Å; G298-Q300 PolarHBondContact O-N 3.34Å | ||
| 299 | L | 38.9 | Very low | 48.5 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 93% | 0.927 | 76% | 0.763 | S | S | * | * | trans | -46.1 | 102.8 | -171.3 | -77.8 | 168 | 0 | 0 | 0 | 110.5 | I297 G301 | I297-L299 PolarHBondContact O-N 3.27Å; L299-G301 PolarHBondContact O-N 3.5Å | ||
| 300 | Q | 46 | Very low | 48.5 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -67.5 | 102.5 | 176.4 | -176 | 172 | 12.2 | 0 | 0 | 105.5 | G298 Q302 | G298-Q300 PolarHBondContact O-N 3.34Å; Q300-Q302 PolarHBondContact O-N 3.13Å | ||
| 301 | G | 45.8 | Very low | 48 | Very low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | -46.3 | 132.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L299 R303 | L299-G301 PolarHBondContact O-N 3.5Å; G301-R303 PolarHBondContact O-N 3.29Å | ||
| 302 | Q | 40.1 | Very low | 47.5 | Very low | 196 Ų | 196 | 134.1 Ų | 134.1 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -37.7 | 111.7 | -164.4 | -79.2 | -177.5 | -18.4 | 0 | 0 | 111 | Q300 G304 | Q300-Q302 PolarHBondContact O-N 3.13Å; Q302-G304 PolarHBondContact O-N 3.17Å | ||
| 303 | R | 47.6 | Very low | 47.5 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 102.2 | -179.2 | -172.8 | -176.1 | -163.7 | 177.8 | 6.2 | 107 | G301 E305 | G301-R303 PolarHBondContact O-N 3.29Å; R303-E305 PolarHBondContact O-N 3.31Å | ||
| 304 | G | 49.7 | Very low | 47.2 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -47.1 | 138.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q302 | Q302-G304 PolarHBondContact O-N 3.17Š| ||
| 305 | E | 49.7 | Very low | 47.1 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -49.9 | 126.3 | -167.8 | -64.9 | -164.9 | 128.2 | 0 | 0 | 111.4 | R303 G307 | R303-E305 PolarHBondContact O-N 3.31Å; E305-G307 PolarHBondContact O-N 3.26Å | ||
| 306 | P | 56.7 | Low | 47.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -61 | 106 | 170.9 | -21.4 | 33.3 | 0 | 0 | 0 | 108.7 | ||||
| 307 | G | 50.9 | Low | 47.4 | Very low | 57 Ų | 57 | 133.3 Ų | 133.3 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | trans | -50.9 | 147.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | E305 R309 | E305-G307 PolarHBondContact O-N 3.26Å; G307-R309 PolarHBondContact O-N 3.25Å | ||
| 308 | P | 49.1 | Very low | 47.7 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -52.6 | 111.3 | -164.4 | 18.7 | -32.5 | 0 | 0 | 0 | 111.5 | G310 | P308-G310 PolarHBondContact O-N 2.97Š| ||
| 309 | R | 49.3 | Very low | 47.9 | Very low | 242 Ų | 242 | 134 Ų | 134 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 110.6 | -175 | -167.3 | 176.4 | -172.8 | 177.7 | 1.2 | 108.6 | G307 | G307-R309 PolarHBondContact O-N 3.25Š| ||
| 310 | G | 48.3 | Very low | 48.3 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | -53.4 | 149.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P308 M312 | P308-G310 PolarHBondContact O-N 2.97Å; G310-M312 PolarHBondContact O-N 2.92Å | ||
| 311 | F | 39.4 | Very low | 48.3 | Very low | 219 Ų | 219 | 125.5 Ų | 125.5 | 96% | 0.961 | 74% | 0.736 | S | S | * | * | trans | -45.4 | 106.7 | -176.2 | -74.8 | -86.6 | 0 | 0 | 0 | 112.4 | G313 | F311-G313 PolarHBondContact O-N 2.92Š| ||
| 312 | M | 45.6 | Very low | 48.6 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 85% | 0.852 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 122.6 | 172.7 | -165.5 | 166.5 | 68.2 | 0 | 0 | 107.9 | G310 | G310-M312 PolarHBondContact O-N 2.92Š|
| 313 | G | 47.7 | Very low | 49 | Very low | 60 Ų | 60 | 121.5 Ų | 121.5 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 151.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F311 | F311-G313 PolarHBondContact O-N 2.92Š|
| 314 | L | 44.4 | Very low | 48.9 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 123.7 | 177.8 | -73.5 | 166.3 | 0 | 0 | 0 | 110.8 | G316 | L314-G316 PolarHBondContact O-N 3.18Š|
| 315 | P | 53.5 | Low | 49 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.6 | 170.4 | -25.7 | 35 | 0 | 0 | 0 | 110.3 | ||
| 316 | G | 51.6 | Low | 48.9 | Very low | 56 Ų | 56 | 117 Ų | 117 | 58% | 0.577 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 153.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L314 I318 | L314-G316 PolarHBondContact O-N 3.18Å; G316-I318 PolarHBondContact O-N 2.84Å |
| 317 | P | 44.3 | Very low | 48.8 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.8 | -179.9 | 24.7 | -34.1 | 0 | 0 | 0 | 110.1 | G319 | P317-G319 PolarHBondContact O-N 3.02Š|
| 318 | I | 58 | Low | 49 | Very low | 157 Ų | 157 | 118 Ų | 118 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 133.1 | -178.9 | -74.2 | 171.9 | 0 | 0 | 0 | 109.9 | G316 V320 | G316-I318 PolarHBondContact O-N 2.84Å; I318-V320 PolarHBondContact O-N 3.14Å |
| 319 | G | 48.7 | Very low | 49.1 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | P317 | P317-G319 PolarHBondContact O-N 3.02Š|
| 320 | V | 47.7 | Very low | 49.4 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 33% | 0.333 | 73% | 0.732 | S | S | . | * | trans | -36.4 | 147.6 | 166.1 | -79.9 | 0 | 0 | 0 | 0 | 114.2 | I318 R738 G739 E740 | I318-V320 PolarHBondContact O-N 3.14Å; V320-R738 WeakPolarHBondContact CA-O 3.48Å; V320-R738 HydrophobicContact CG1-CG 3.59Å; V320-G739 VanDerWaalsContact CB-CA 3.48Å; V320-E740 HydrophobicContact CB-CG 3.89Å; V320-E740 HydrophobicContact CG2-CG 3.59Å; V320-E740 WeakPolarHBondContact O-CG 3.42Å | ||
| 321 | D | 47 | Very low | 49.6 | Very low | 106 Ų | 106 | 111.4 Ų | 111.4 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 119.6 | -176 | -62 | -63.5 | 0 | 0 | 0 | 116.4 | G739 E740 | D321-G739 CarbonylContact O-C 3.07Å; D321-G739 VanDerWaalsContact O-C 3.31Å; D321-E740 VanDerWaalsContact C-CG 3.48Å; D321-E740 WeakPolarHBondContact O-CA 3.34Å; D321-E740 WeakPolarHBondContact O-CB 3.18Å; D321-E740 PolarHBondContact O-N 2.63Å |
| 322 | G | 51.3 | Low | 50 | Low | 48 Ų | 48 | 108.8 Ų | 108.8 | 50% | 0.495 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 135.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | E740 | G322-E740 WeakPolarHBondContact CA-OE1 3.36Å; G322-E740 PolarHBondContact N-OE1 2.96Å |
| 323 | T | 48.2 | Very low | 50.2 | Low | 128 Ų | 128 | 107 Ų | 107 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.2 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | G325 | T323-G325 PolarHBondContact O-N 2.93Š|
| 324 | D | 46 | Very low | 50.1 | Low | 164 Ų | 164 | 107.6 Ų | 107.6 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 120.9 | -173.5 | -68.2 | -60.9 | 0 | 0 | 0 | 115.5 | ||
| 325 | G | 50.4 | Low | 50 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 121.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | T323 | T323-G325 PolarHBondContact O-N 2.93Š|
| 326 | V | 49.4 | Very low | 49.7 | Very low | 134 Ų | 134 | 105.1 Ų | 105.1 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.8 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | G328 | V326-G328 PolarHBondContact O-N 2.95Å; V326-G328 VanDerWaalsContact O-N 3.16Å |
| 327 | P | 54 | Low | 49.4 | Very low | 124 Ų | 124 | 106.4 Ų | 106.4 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.6 | 176.4 | -26.5 | 35.3 | 0 | 0 | 0 | 112.8 | ||
| 328 | G | 55.1 | Low | 49.4 | Very low | 72 Ų | 72 | 106.3 Ų | 106.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 147.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V326 | V326-G328 PolarHBondContact O-N 2.95Å; V326-G328 VanDerWaalsContact O-N 3.16Å |
| 329 | A | 50.7 | Low | 48.7 | Very low | 94 Ų | 94 | 108.5 Ų | 108.5 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G331 | A329-G331 PolarHBondContact O-N 3.31Š|
| 330 | P | 56.6 | Low | 48.4 | Very low | 136 Ų | 136 | 109.2 Ų | 109.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.1 | 169.9 | -23 | 34.1 | 0 | 0 | 0 | 111.1 | ||
| 331 | G | 52.4 | Low | 48.2 | Very low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 161.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A329 P333 | A329-G331 PolarHBondContact O-N 3.31Å; G331-P333 WeakPolarHBondContact O-CD 3.04Å |
| 332 | D | 46.8 | Very low | 48.5 | Very low | 165 Ų | 165 | 113.7 Ų | 113.7 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 124 | 180 | -65.6 | -55.4 | 0 | 0 | 0 | 113.5 | G334 | D332-G334 PolarHBondContact O-N 3.11Š|
| 333 | P | 49.4 | Very low | 48.1 | Very low | 134 Ų | 134 | 114.8 Ų | 114.8 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -76.9 | 73.3 | -178.5 | -20.8 | 36 | 0 | 0 | 0 | 116.9 | G331 | G331-P333 WeakPolarHBondContact O-CD 3.04Š| ||
| 334 | G | 45.8 | Very low | 47.8 | Very low | 74 Ų | 74 | 117 Ų | 117 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | 68.4 | 160.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | D332 | D332-G334 PolarHBondContact O-N 3.11Š| ||
| 335 | A | 43.4 | Very low | 47.6 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -145.3 | 129.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 336 | P | 47.3 | Very low | 47.8 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -98.2 | 132.3 | -168.4 | 34.5 | -33.4 | 0 | 0 | 0 | 115.3 | ||||
| 337 | G | 44.4 | Very low | 47.6 | Very low | 82 Ų | 82 | 117.5 Ų | 117.5 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | 95 | 126.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 338 | S | 44.8 | Very low | 47.3 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -149.8 | 143.1 | 149.1 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 339 | Q | 44.3 | Very low | 47.2 | Very low | 204 Ų | 204 | 119.7 Ų | 119.7 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -114.6 | 141.5 | -170.9 | 176.3 | -177.4 | -30.3 | 0 | 0 | 112.5 | ||||
| 340 | G | 42.2 | Very low | 46.8 | Very low | 72 Ų | 72 | 121.5 Ų | 121.5 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | 111.5 | 151.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 341 | S | 41.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | cis | -152.3 | 160.3 | -1.6 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 342 | P | 54.8 | Low | 46.2 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | trans | -86.7 | 144.1 | -166.5 | 33.3 | -35.7 | 0 | 0 | 0 | 115.3 | ||||
| 343 | G | 41.6 | Very low | 46.1 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 173.3 | 154.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 344 | L | 43 | Very low | 46.4 | Very low | 175 Ų | 175 | 123.9 Ų | 123.9 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | cis | -137 | 154.7 | -0.6 | -81.3 | 162 | 0 | 0 | 0 | 109.2 | G346 | L344-G346 PolarHBondContact O-N 3.02Š| ||
| 345 | Q | 41.9 | Very low | 46.8 | Very low | 195 Ų | 195 | 123.3 Ų | 123.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.9 | 175.7 | -173.1 | 173.6 | 6 | 0 | 0 | 111 | ||
| 346 | G | 54.2 | Low | 46.9 | Very low | 55 Ų | 55 | 126.8 Ų | 126.8 | 57% | 0.567 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80 | 159.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L344 | L344-G346 PolarHBondContact O-N 3.02Š|
| 347 | P | 44.5 | Very low | 47.4 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 152.1 | -170.1 | 29.8 | -36.1 | 0 | 0 | 0 | 113.9 | G349 | P347-G349 PolarHBondContact O-N 3.22Å; P347-G349 VanDerWaalsContact O-N 3.17Å |
| 348 | E | 48.1 | Very low | 48 | Very low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 109 | 177.5 | -170.3 | 175.8 | 170.8 | 0 | 0 | 111.2 | ||||
| 349 | G | 52.6 | Low | 48.2 | Very low | 52 Ų | 52 | 125.2 Ų | 125.2 | 54% | 0.536 | 79% | 0.786 | S | S | . | * | trans | -73 | 156.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P347 K351 | P347-G349 PolarHBondContact O-N 3.22Å; P347-G349 VanDerWaalsContact O-N 3.17Å; G349-K351 PolarHBondContact O-N 3.44Å | ||
| 350 | P | 42.8 | Very low | 48.3 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -62 | 134.1 | -167.6 | 24.8 | -34.7 | 0 | 0 | 0 | 112.8 | G352 | P350-G352 VanDerWaalsContact C-N 3.35Å; P350-G352 PolarHBondContact O-N 3.31Å | ||
| 351 | K | 43.2 | Very low | 48.7 | Very low | 191 Ų | 191 | 123.3 Ų | 123.3 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -62.7 | 87.9 | 178 | -171.4 | 172.6 | -175.1 | 170.2 | 0 | 111.4 | G349 | G349-K351 PolarHBondContact O-N 3.44Š| ||
| 352 | G | 53.4 | Low | 48.6 | Very low | 61 Ų | 61 | 127.1 Ų | 127.1 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 140.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P350 P354 | P350-G352 VanDerWaalsContact C-N 3.35Å; P350-G352 PolarHBondContact O-N 3.31Å; G352-P354 VanDerWaalsContact O-CD 3.3Å; G352-P354 WeakPolarHBondContact O-CD 3.16Å |
| 353 | Q | 45.1 | Very low | 48.2 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.1 | -174.9 | -67.9 | 175.2 | -12.5 | 0 | 0 | 110.7 | G355 | Q353-G355 PolarHBondContact O-N 3.06Š|
| 354 | P | 55.5 | Low | 48.4 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135.9 | 155.2 | -18.3 | 32.5 | 0 | 0 | 0 | 108 | G352 | G352-P354 VanDerWaalsContact O-CD 3.3Å; G352-P354 WeakPolarHBondContact O-CD 3.16Å |
| 355 | G | 54.3 | Low | 48.1 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 161.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q353 | Q353-G355 PolarHBondContact O-N 3.06Š|
| 356 | L | 44.9 | Very low | 48.6 | Very low | 172 Ų | 172 | 121.4 Ų | 121.4 | 90% | 0.901 | 74% | 0.744 | S | S | * | * | trans | -43.9 | 129.1 | 174.9 | -70.8 | 168.5 | 0 | 0 | 0 | 110.3 | G358 | L356-G358 PolarHBondContact O-N 3.26Å; L356-G358 VanDerWaalsContact O-N 3.14Å | ||
| 357 | P | 57.8 | Low | 48.3 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 124.8 | 172.7 | -26.8 | 35 | 0 | 0 | 0 | 109.7 | ||
| 358 | G | 56.3 | Low | 48.1 | Very low | 56 Ų | 56 | 124.3 Ų | 124.3 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 152.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | L356 K360 | L356-G358 PolarHBondContact O-N 3.26Å; L356-G358 VanDerWaalsContact O-N 3.14Å; G358-K360 PolarHBondContact O-N 3.4Å; G358-K360 VanDerWaalsContact O-N 3.15Å |
| 359 | P | 50.7 | Low | 47.9 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 127 | -174.9 | 21.3 | -33.2 | 0 | 0 | 0 | 110 | G361 | P359-G361 PolarHBondContact O-N 3.18Š|
| 360 | K | 45.5 | Very low | 47.7 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -44.8 | 109.4 | -178.5 | 177.5 | -171.1 | 175.8 | -170 | 0 | 109.1 | G358 V363 | G358-K360 PolarHBondContact O-N 3.4Å; G358-K360 VanDerWaalsContact O-N 3.15Å; K360-V363 VanDerWaalsContact CE-CG2 3.49Å | ||
| 361 | G | 50.5 | Low | 47.5 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | trans | -51.9 | 142.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | P359 V363 | P359-G361 PolarHBondContact O-N 3.18Å; G361-V363 PolarHBondContact O-N 3.17Å | ||
| 362 | E | 41 | Very low | 47.5 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -53.2 | 139.7 | -175.2 | -66.7 | -168.3 | 131 | 0 | 0 | 110.5 | G364 | E362-G364 VanDerWaalsContact C-N 3.34Å; E362-G364 PolarHBondContact O-N 3.43Å | ||
| 363 | V | 44.7 | Very low | 47.2 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 53% | 0.533 | 77% | 0.769 | S | S | . | * | trans | -70 | 95.9 | -172.9 | -179.1 | 0 | 0 | 0 | 0 | 108 | K360 G361 F365 P366 | K360-V363 VanDerWaalsContact CE-CG2 3.49Å; G361-V363 PolarHBondContact O-N 3.17Å; V363-F365 PolarHBondContact O-N 3.1Å; V363-F365 VanDerWaalsContact O-N 3.14Å; V363-P366 HydrophobicContact CG1-CG 4.27Å | ||
| 364 | G | 45.9 | Very low | 46.8 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 122.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | E362 | E362-G364 VanDerWaalsContact C-N 3.34Å; E362-G364 PolarHBondContact O-N 3.43Å |
| 365 | F | 37.8 | Very low | 46.6 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 126.4 | -164.2 | -77.8 | -91.7 | 0 | 0 | 0 | 111.1 | V363 G367 | V363-F365 PolarHBondContact O-N 3.1Å; V363-F365 VanDerWaalsContact O-N 3.14Å; F365-G367 PolarHBondContact O-N 2.88Å |
| 366 | P | 51.9 | Low | 46.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 118.5 | 169.6 | -21.1 | 32.9 | 0 | 0 | 0 | 107.5 | V363 L368 | V363-P366 HydrophobicContact CG1-CG 4.27Å; P366-L368 PolarHBondContact O-N 3.34Å |
| 367 | G | 47.5 | Very low | 46.3 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 134.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F365 R369 | F365-G367 PolarHBondContact O-N 2.88Å; G367-R369 PolarHBondContact O-N 2.72Å |
| 368 | L | 39.8 | Very low | 45.7 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -52 | 114.3 | -173.8 | -83.6 | 171.3 | 0 | 0 | 0 | 109.1 | P366 G370 | P366-L368 PolarHBondContact O-N 3.34Å; L368-G370 PolarHBondContact O-N 3.38Å | ||
| 369 | R | 44.3 | Very low | 45.1 | Very low | 236 Ų | 236 | 125.6 Ų | 125.6 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -57.6 | 105.3 | -176 | 177.2 | -173 | -170.1 | 169.3 | 3.9 | 107.4 | G367 D371 | G367-R369 PolarHBondContact O-N 2.72Å; R369-D371 PolarHBondContact O-N 3.26Å | ||
| 370 | G | 49.2 | Very low | 44.6 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -46.3 | 122.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L368 R372 | L368-G370 PolarHBondContact O-N 3.38Å; G370-R372 PolarHBondContact O-N 3.12Å; G370-R372 VanDerWaalsContact O-N 3.14Å | ||
| 371 | D | 38.4 | Very low | 44.7 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -58.7 | 123.3 | -177.2 | -89.2 | -51.7 | 0 | 0 | 0 | 109.3 | R369 G373 | R369-D371 PolarHBondContact O-N 3.26Å; D371-G373 PolarHBondContact O-N 2.92Å | ||
| 372 | R | 42.6 | Very low | 44.2 | Very low | 240 Ų | 240 | 124.6 Ų | 124.6 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | trans | -61.5 | 105.7 | -170.3 | -176.7 | -174.9 | -168.7 | 177 | 2.5 | 108 | G370 A374 | G370-R372 PolarHBondContact O-N 3.12Å; G370-R372 VanDerWaalsContact O-N 3.14Å; R372-A374 PolarHBondContact O-N 2.77Å | ||
| 373 | G | 48.1 | Very low | 44.1 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | trans | -44.4 | 130.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D371 | D371-G373 PolarHBondContact O-N 2.92Š| ||
| 374 | A | 36.8 | Very low | 44 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109 | R372 G376 | R372-A374 PolarHBondContact O-N 2.77Å; A374-G376 PolarHBondContact O-N 3.14Å; A374-G376 VanDerWaalsContact O-N 3.11Å |
| 375 | P | 50.2 | Low | 43.5 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.6 | 175.5 | -25.3 | 34.4 | 0 | 0 | 0 | 108.8 | ||
| 376 | G | 49.8 | Very low | 43.7 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 130.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A374 S378 | A374-G376 PolarHBondContact O-N 3.14Å; A374-G376 VanDerWaalsContact O-N 3.11Å; G376-S378 PolarHBondContact O-N 2.7Å; G376-S378 VanDerWaalsContact O-N 3.08Å |
| 377 | P | 43 | Very low | 43.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.6 | -179.5 | 23.2 | -32.8 | 0 | 0 | 0 | 108.3 | G379 | P377-G379 PolarHBondContact O-N 3.11Š|
| 378 | S | 46.8 | Very low | 43.1 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.7 | -169.7 | -174.3 | 0 | 0 | 0 | 0 | 110 | G376 N380 | G376-S378 PolarHBondContact O-N 2.7Å; G376-S378 VanDerWaalsContact O-N 3.08Å; S378-N380 PolarHBondContact O-N 2.86Å |
| 379 | G | 43.5 | Very low | 43.4 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 124 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | P377 P381 | P377-G379 PolarHBondContact O-N 3.11Å; G379-P381 WeakPolarHBondContact O-CD 3.38Å |
| 380 | N | 38.6 | Very low | 43.4 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.5 | -179.5 | -81.2 | -38.9 | 0 | 0 | 0 | 109.7 | S378 G382 | S378-N380 PolarHBondContact O-N 2.86Å; N380-G382 PolarHBondContact O-N 2.96Å |
| 381 | P | 48 | Very low | 42.8 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 137.5 | 176.6 | -29 | 36.8 | 0 | 0 | 0 | 111.6 | G379 | G379-P381 WeakPolarHBondContact O-CD 3.38Š|
| 382 | G | 41.2 | Very low | 42.9 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 151.8 | -155.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N380 Q384 | N380-G382 PolarHBondContact O-N 2.96Å; G382-Q384 PolarHBondContact O-N 3.05Å; G382-Q384 VanDerWaalsContact O-N 3.1Å |
| 383 | K | 37.1 | Very low | 42.9 | Very low | 215 Ų | 215 | 118.1 Ų | 118.1 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | trans | -67.2 | 104.3 | 151.6 | -78 | -169.4 | 173.8 | -176.7 | 0 | 108.1 | G385 | K383-G385 PolarHBondContact O-N 3.27Š| ||
| 384 | Q | 43.6 | Very low | 42.6 | Very low | 194 Ų | 194 | 118 Ų | 118 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -53.4 | 131.2 | 174.6 | -175.2 | 173.9 | -16.1 | 0 | 0 | 110.4 | G382 | G382-Q384 PolarHBondContact O-N 3.05Å; G382-Q384 VanDerWaalsContact O-N 3.1Å | ||
| 385 | G | 36.3 | Very low | 42.9 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -81.8 | 167.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K383 | K383-G385 PolarHBondContact O-N 3.27Š| ||
| 386 | T | 42 | Very low | 42.4 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -98.5 | 104.2 | 171.3 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 387 | H | 46.8 | Very low | 42 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | 33.3 | 103.7 | 148.3 | -54.1 | 92.7 | 0 | 0 | 0 | 118.5 | ||||
| 388 | G | 39.1 | Very low | 41.7 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 149.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 389 | P | 47 | Very low | 41.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 125.2 | 164 | 32.4 | -29.9 | 0 | 0 | 0 | 110.9 | ||
| 390 | P | 42.7 | Very low | 41.4 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 143.3 | -179.4 | 34.8 | -33 | 0 | 0 | 0 | 114.4 | ||
| 391 | G | 38.1 | Very low | 41.5 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 93.1 | 156.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 392 | T | 39.1 | Very low | 41.4 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -164.8 | 141.2 | -10.7 | 24.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 393 | I | 43.9 | Very low | 41.5 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | 59.4 | 123.1 | 144.1 | -58.1 | 167 | 0 | 0 | 0 | 120.4 | ||||
| 394 | G | 41.5 | Very low | 41.5 | Very low | 60 Ų | 60 | 133.1 Ų | 133.1 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 89.5 | 142.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 395 | N | 43.5 | Very low | 41.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | cis | -147.3 | 156.6 | 8.8 | -72.7 | -58.5 | 0 | 0 | 0 | 113.5 | ||||
| 396 | K | 39.7 | Very low | 42.2 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -26.5 | 138.3 | 151.6 | 175.9 | -170.9 | -176.9 | -175.5 | 0 | 114.2 | ||||
| 397 | G | 40 | Very low | 41.9 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | cis | 135.9 | 132.8 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 398 | E | 38.2 | Very low | 41.9 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -138.4 | 163 | 178.4 | -81.2 | -151.7 | 121.9 | 0 | 0 | 113 | ||||
| 399 | P | 46 | Very low | 41.8 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -125 | 162.8 | -149.5 | 40.5 | -26.5 | 0 | 0 | 0 | 117.2 | ||||
| 400 | G | 38.1 | Very low | 41.5 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 118.1 | 150.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | D | 39.1 | Very low | 41.4 | Very low | 178 Ų | 178 | 137 Ų | 137 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | cis | -105.6 | 174.5 | 19.2 | -106 | -46.3 | 0 | 0 | 0 | 116.6 | ||||
| 402 | R | 46.6 | Very low | 41.3 | Very low | 215 Ų | 215 | 136.8 Ų | 136.8 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 122 | -163.8 | -175.7 | 179.3 | -177.6 | 173.5 | 0.6 | 113.9 | H404 | R402-H404 PolarHBondContact O-ND1 2.99Š|
| 403 | G | 43.2 | Very low | 41.5 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 143.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 404 | H | 37.5 | Very low | 41 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -99 | 126.6 | 178.7 | -77.5 | 63.6 | 0 | 0 | 0 | 110.6 | R402 | R402-H404 PolarHBondContact O-ND1 2.99Š|
| 405 | P | 52.1 | Low | 40.7 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 145.2 | -178.8 | -20.7 | 33 | 0 | 0 | 0 | 113.6 | ||
| 406 | G | 41.3 | Very low | 40.8 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 146.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 407 | K | 37.2 | Very low | 40.6 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 147.2 | 175.5 | -74.1 | -172 | 175 | -176.7 | 0 | 111.4 | ||
| 408 | P | 47.2 | Very low | 40.4 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 162.9 | -177.1 | -14.4 | 31.3 | 0 | 0 | 0 | 113.6 | ||
| 409 | G | 37 | Very low | 40.5 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 410 | M | 40.7 | Very low | 40 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 94% | 0.941 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 152.6 | -178.8 | -72.2 | 175.3 | 60.5 | 0 | 0 | 113.4 | ||
| 411 | M | 39.2 | Very low | 39.9 | Very low | 191 Ų | 191 | 125.3 Ų | 125.3 | 94% | 0.941 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -101 | 164.4 | 167.3 | -143.2 | 177.5 | -62.2 | 0 | 0 | 108.3 | ||
| 412 | G | 35.5 | Very low | 40.1 | Very low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 72% | 0.723 | S | S | * | * | trans | -154.4 | -171.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 413 | I | 44.7 | Very low | 39.6 | Very low | 181 Ų | 181 | 120.8 Ų | 120.8 | 93% | 0.928 | 73% | 0.727 | S | S | * | * | trans | 85.8 | 157.3 | 158.7 | 71.2 | 160.2 | 0 | 0 | 0 | 123.8 | ||||
| 414 | R | 33 | Very low | 39.2 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | 85.9 | 144.3 | -163.5 | -155.4 | 155.7 | -168.7 | 127.6 | 21.1 | 114 | D1236 Y1239 | R414-D1236 VanDerWaalsContact CG-OD2 3.26Å; R414-D1236 WeakPolarHBondContact CG-OD2 3.38Å; R414-D1236 IonicContact CZ-OD1 2.71Å; R414-D1236 IonicContact CZ-OD2 3.35Å; R414-D1236 VanDerWaalsContact CZ-OD2 3.27Å; R414-D1236 IonicContact NE-OD1 2.65Å; R414-D1236 IonicContact NE-OD2 3.91Å; R414-D1236 PolarHBondContact NE-OD2 3.27Å; R414-D1236 IonicContact NH2-OD1 3.15Å; R414-D1236 PolarHBondContact NH2-OD1 3.1Å; R414-D1236 IonicContact NH2-OD2 2.69Å; R414-D1236 PolarHBondContact NH2-OD2 2.82Å; R414-Y1239 VanDerWaalsContact NH2-CB 3.33Å | ||
| 415 | G | 35.6 | Very low | 39.2 | Very low | 50 Ų | 50 | 119 Ų | 119 | 52% | 0.515 | 72% | 0.723 | S | S | . | * | cis | -164.9 | -160.5 | 11.7 | 0 | 0 | 0 | 0 | 0 | 118 | D1236 | G415-D1236 WeakPolarHBondContact CA-OD2 3.07Š| ||
| 416 | F | 45.9 | Very low | 38.4 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 60% | 0.596 | 73% | 0.729 | S | S | * | * | trans | -119.2 | -140 | -170.5 | -63.2 | -48.4 | 0 | 0 | 0 | 114.7 | W1234 S1235 D1236 | F416-W1234 HydrophobicContact CB-CE3 3.54Å; F416-W1234 HydrophobicContact CB-CZ3 3.71Å; F416-W1234 AromaticContact CD1-CE3 3.7Å; F416-W1234 HydrophobicContact CD1-CE3 3.7Å; F416-W1234 AromaticContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CD1-CZ3 3.46Å; F416-W1234 VanDerWaalsContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CE1-CZ3 4.26Å; F416-W1234 AromaticContact CG-CE3 3.97Å; F416-W1234 HydrophobicContact CG-CE3 3.97Å; F416-W1234 AromaticContact CG-CZ3 3.73Å; F416-W1234 HydrophobicContact CG-CZ3 3.73Å; F416-W1234 CarbonylContact O-C 3.58Å; F416-S1235 CarbonylContact O-C 3.28Å; F416-S1235 VanDerWaalsContact O-C 3.29Å; F416-S1235 WeakPolarHBondContact O-CA 3.21Å; F416-S1235 PolarHBondContact O-N 3.44Å; F416-D1236 VanDerWaalsContact C-CB 3.44Å; F416-D1236 VanDerWaalsContact N-CB 3.32Å; F416-D1236 PolarHBondContact N-OD2 3.07Å; F416-D1236 WeakPolarHBondContact O-CB 3.09Å; F416-D1236 PolarHBondContact O-N 2.74Å | ||
| 417 | S | 35.7 | Very low | 38.1 | Very low | 51 Ų | 51 | 119.8 Ų | 119.8 | 36% | 0.357 | 72% | 0.723 | S | S | . | * | cis | -157.6 | 102.3 | -12.7 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | W1234 S1235 D1236 | S417-W1234 VanDerWaalsContact CA-CE3 3.49Å; S417-S1235 VanDerWaalsContact N-N 3.16Å; S417-S1235 PolarHBondContact N-O 2.72Å; S417-S1235 PolarHBondContact OG-O 3.13Å; S417-D1236 WeakPolarHBondContact OG-CA 3.45Å | ||
| 418 | G | 35.3 | Very low | 38 | Very low | 35 Ų | 35 | 115.4 Ų | 115.4 | 36% | 0.361 | 73% | 0.725 | S | S | . | * | trans | 75.7 | 165.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 119 | E1233 W1234 S1235 | G418-E1233 CarbonylContact C-O 3.52Å; G418-E1233 WeakPolarHBondContact CA-O 3.45Å; G418-W1234 VanDerWaalsContact N-CA 3.33Å; G418-W1234 CarbonylContact O-C 3.55Å; G418-W1234 VanDerWaalsContact O-CA 3.27Å; G418-W1234 WeakPolarHBondContact O-CA 3.24Å; G418-S1235 PolarHBondContact O-N 3.47Å | ||
| 419 | G | 40.6 | Very low | 37.5 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | 143.3 | 147.2 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1233 | G419-E1233 PolarHBondContact N-O 2.78Š| ||
| 420 | E | 35.8 | Very low | 37.6 | Very low | 195 Ų | 195 | 119 Ų | 119 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | cis | -123.4 | -126.8 | -5.4 | -58.6 | -166.9 | 121 | 0 | 0 | 111.6 | ||||
| 421 | G | 34.6 | Very low | 38 | Very low | 65 Ų | 65 | 116 Ų | 116 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | cis | -173 | -156.5 | 13.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 422 | E | 43.2 | Very low | 38 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 58% | 0.575 | 72% | 0.719 | S | S | * | * | trans | -134.9 | 178.7 | -166.1 | -80.3 | -166.8 | 169 | 0 | 0 | 117.3 | R1229 | E422-R1229 WeakPolarHBondContact OE1-CA 3.35Å; E422-R1229 PolarHBondContact OE1-N 3.46Å | ||
| 423 | I | 37.4 | Very low | 38.4 | Very low | 175 Ų | 175 | 117 Ų | 117 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | 94.5 | 133 | 164 | -52.9 | 174.7 | 0 | 0 | 0 | 115.9 | ||||
| 424 | G | 34.8 | Very low | 37.9 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | cis | -160.4 | -149.7 | 12.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 425 | L | 37.2 | Very low | 38.4 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | trans | -115.5 | 169.1 | -153.3 | -73.9 | 165.7 | 0 | 0 | 0 | 117 | ||||
| 426 | V | 35.5 | Very low | 38.7 | Very low | 149 Ų | 149 | 114.4 Ų | 114.4 | 90% | 0.903 | 74% | 0.742 | S | S | * | * | trans | 85.8 | 133.9 | 162.6 | -167.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 427 | G | 35 | Very low | 38 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | cis | 165.5 | 165.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 428 | A | 34.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 56.4 | 117.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 429 | K | 37.9 | Very low | 38.2 | Very low | 215 Ų | 215 | 125 Ų | 125 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | -139.4 | 144.6 | 129.1 | -169.2 | 174.6 | 179.2 | -174.9 | 0 | 109.2 | |||||
| 430 | G | 38.2 | Very low | 37.6 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -109.3 | -143.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 431 | P | 48.2 | Very low | 37.9 | Very low | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | -121.9 | 154.7 | -122.7 | 39.7 | -28.4 | 0 | 0 | 0 | 116.1 | |||||
| 432 | E | 40.5 | Very low | 38.2 | Very low | 203 Ų | 203 | 127 Ų | 127 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -165.7 | 152.7 | 162.2 | -108 | 166.8 | 174.9 | 0 | 0 | 107.5 | ||||
| 433 | G | 43.8 | Very low | 38.3 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | cis | -162.5 | 161.7 | -4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 434 | S | 34 | Very low | 38.8 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -99.6 | 140 | -166.4 | 56.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 435 | V | 43.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 127 Ų | 127 | 92% | 0.915 | 82% | 0.822 | S | S | * | * | trans | -145 | 141 | 160.5 | -172 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 436 | G | 40.5 | Very low | 39.4 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | cis | 162.8 | 72.5 | -3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 437 | L | 33 | Very low | 39.6 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | 19.6 | 115.5 | 153.1 | -67.1 | 165.3 | 0 | 0 | 0 | 120.5 | ||||
| 438 | Q | 37.5 | Very low | 39.6 | Very low | 206 Ų | 206 | 128.5 Ų | 128.5 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | trans | -172.8 | 148.1 | 135.5 | -107.6 | 172.1 | -0.9 | 0 | 0 | 109.9 | ||||
| 439 | G | 35.6 | Very low | 39.7 | Very low | 66 Ų | 66 | 131 Ų | 131 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | cis | 160.9 | 140.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 440 | A | 30 | Very low | 39.7 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | 67.2 | 161.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 441 | Q | 41.2 | Very low | 39.8 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | cis | -138.3 | 158 | 15.2 | -158.3 | 162.9 | 5.1 | 0 | 0 | 112.7 | ||||
| 442 | G | 40.9 | Very low | 39.1 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 171.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | P444 | G442-P444 WeakPolarHBondContact O-CD 3.31Š|
| 443 | L | 46.1 | Very low | 39.1 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.5 | 179 | -63.5 | 165.6 | 0 | 0 | 0 | 113.1 | ||
| 444 | P | 46.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 144.7 | 156 | -7.4 | 27.6 | 0 | 0 | 0 | 110.7 | G442 | G442-P444 WeakPolarHBondContact O-CD 3.31Š|
| 445 | G | 38 | Very low | 38.8 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -80.7 | -179.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 446 | P | 47.6 | Very low | 38.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | trans | -79.3 | 172.4 | -177.4 | 33.4 | -36.6 | 0 | 0 | 0 | 114.7 | ||||
| 447 | E | 38.8 | Very low | 38.9 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | 75.2 | 139.2 | -177.4 | -57.9 | -149.4 | 105.8 | 0 | 0 | 117.4 | ||||
| 448 | G | 36.8 | Very low | 39.4 | Very low | 63 Ų | 63 | 144.6 Ų | 144.6 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | cis | -175.9 | 175.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 449 | I | 34.5 | Very low | 39.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 42.4 | 101.7 | 158.4 | 55.8 | 169.4 | 0 | 0 | 0 | 122.9 | ||||
| 450 | K | 38.7 | Very low | 39.9 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | 66.7 | 112.4 | 118.5 | -161.4 | 175.6 | -170.5 | 171.7 | 0 | 120.7 | |||||
| 451 | G | 39.8 | Very low | 40.7 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -125.4 | 169.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 452 | R | 34.6 | Very low | 40.8 | Very low | 251 Ų | 251 | 140.8 Ų | 140.8 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -117.1 | 147.3 | -167.8 | -86.7 | -177.4 | 169.2 | -175.5 | -1.2 | 116.3 | ||||
| 453 | R | 38.9 | Very low | 40.7 | Very low | 252 Ų | 252 | 141.2 Ų | 141.2 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | trans | -8.5 | 131.5 | 148.8 | 174.3 | -164.2 | -93.9 | -169.6 | -5.1 | 118.3 | ||||
| 454 | G | 35 | Very low | 40.7 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | trans | -179.9 | 148.6 | 154 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 455 | E | 38.6 | Very low | 40.5 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 97% | 0.967 | 83% | 0.825 | S | S | * | * | cis | -133.6 | -158 | 4.8 | -63.1 | -162 | 111.1 | 0 | 0 | 112.7 | ||||
| 456 | R | 37.3 | Very low | 40.4 | Very low | 231 Ų | 231 | 145.5 Ų | 145.5 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -146.9 | 144.1 | -166.2 | 164.9 | -160.3 | -84 | -169.8 | -7.2 | 111.9 | ||||
| 457 | G | 48.5 | Very low | 40.2 | Very low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 82% | 0.824 | S | S | * | * | trans | 134 | 169.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 458 | P | 42.7 | Very low | 40.3 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | cis | -103.9 | -170.5 | 8.1 | 39.3 | -33.5 | 0 | 0 | 0 | 115.2 | ||||
| 459 | L | 39.7 | Very low | 40.3 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | trans | -114.8 | 158.7 | -173.8 | -88.3 | 68.4 | 0 | 0 | 0 | 113.9 | ||||
| 460 | G | 44.4 | Very low | 40.7 | Very low | 67 Ų | 67 | 149.2 Ų | 149.2 | 69% | 0.691 | 83% | 0.834 | S | S | * | * | trans | 94.8 | 165.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 461 | P | 47.1 | Very low | 40.7 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | cis | -96.5 | 174 | -2.3 | 38.1 | -31.9 | 0 | 0 | 0 | 113 | ||||
| 462 | V | 43.7 | Very low | 40.6 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 90% | 0.903 | 83% | 0.834 | S | S | * | * | cis | 91.1 | 118.2 | 24.3 | -178.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 463 | G | 38.5 | Very low | 41 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | trans | 124.6 | 131.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 464 | E | 46.3 | Very low | 41.2 | Very low | 203 Ų | 203 | 138 Ų | 138 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | cis | -138 | 170 | 2.7 | -80.3 | -156.9 | 117.9 | 0 | 0 | 114.4 | ||||
| 465 | Q | 40.5 | Very low | 41.6 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -95.7 | 157.1 | 177.7 | 154.6 | -167.3 | -25.6 | 0 | 0 | 110 | ||||
| 466 | G | 37.3 | Very low | 41.6 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | cis | 139.4 | 138.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 467 | S | 43.5 | Very low | 41.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | -162.6 | 116.5 | 166.7 | 40.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 468 | R | 39.8 | Very low | 41.7 | Very low | 250 Ų | 250 | 132.2 Ų | 132.2 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | 14.9 | 123.2 | 133.4 | -164.1 | -174 | -149.8 | 164.7 | 4.5 | 117.9 | ||||
| 469 | G | 36.4 | Very low | 41.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | cis | 126.2 | 143.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 470 | I | 43.7 | Very low | 42.1 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 96% | 0.959 | 83% | 0.828 | S | S | * | * | trans | -147.4 | 162.5 | 159 | 28.3 | 172.3 | 0 | 0 | 0 | 112.6 | ||||
| 471 | R | 37.7 | Very low | 42.1 | Very low | 247 Ų | 247 | 129.3 Ų | 129.3 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -75.5 | 136.7 | -162.9 | 167 | -167.6 | -74.1 | 168.5 | -7.1 | 115.4 | ||||
| 472 | G | 39.1 | Very low | 41.8 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | 127.4 | 98.5 | 127 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 473 | S | 41.5 | Very low | 41.7 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -152.4 | 158.5 | 150.5 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 474 | A | 43 | Very low | 41.9 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -70.5 | 164.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 475 | G | 43.4 | Very low | 41.6 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -96.2 | 153.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 476 | L | 40.6 | Very low | 41.7 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | 61 | 77.5 | 152.8 | -58.7 | 175.5 | 0 | 0 | 0 | 117.6 | G478 | L476-G478 PolarHBondContact O-N 2.78Š| ||
| 477 | S | 40 | Very low | 42 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -57.2 | 124.9 | 147.9 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 478 | G | 46.4 | Very low | 41.9 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -69 | 175 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | L476 | L476-G478 PolarHBondContact O-N 2.78Š| ||
| 479 | A | 44.7 | Very low | 42.3 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 153.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G481 | A479-G481 PolarHBondContact O-N 2.87Š|
| 480 | P | 46.6 | Very low | 42.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 130.6 | 170.2 | -24.5 | 34 | 0 | 0 | 0 | 111.2 | ||
| 481 | G | 45 | Very low | 42.4 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 147.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | A479 E483 | A479-G481 PolarHBondContact O-N 2.87Å; G481-E483 PolarHBondContact O-N 3.02Å |
| 482 | H | 40.4 | Very low | 42.6 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 89% | 0.889 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.1 | 174.5 | -71.9 | -88.6 | 0 | 0 | 0 | 110.2 | G484 | H482-G484 PolarHBondContact O-N 3.42Š|
| 483 | E | 42.3 | Very low | 43 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.9 | 172.4 | -172 | 174 | -178.3 | 0 | 0 | 108.8 | G481 S485 | G481-E483 PolarHBondContact O-N 3.02Å; E483-S485 PolarHBondContact O-N 2.82Å |
| 484 | G | 41.9 | Very low | 43.4 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H482 R486 | H482-G484 PolarHBondContact O-N 3.42Å; G484-R486 PolarHBondContact O-N 2.82Å |
| 485 | S | 40.5 | Very low | 43.6 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -56.1 | 104.8 | 169.9 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | E483 G487 | E483-S485 PolarHBondContact O-N 2.82Å; S485-G487 PolarHBondContact O-N 3.32Å | ||
| 486 | R | 41.8 | Very low | 43.8 | Very low | 245 Ų | 245 | 126 Ų | 126 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 105.4 | -174.9 | -174.3 | 177.3 | -172.6 | 159.1 | -0.1 | 109.2 | G484 | G484-R486 PolarHBondContact O-N 2.82Š| ||
| 487 | G | 44.1 | Very low | 44.1 | Very low | 57 Ų | 57 | 123.8 Ų | 123.8 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | trans | -56.4 | 151.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | S485 | S485-G487 PolarHBondContact O-N 3.32Š| ||
| 488 | L | 41.1 | Very low | 44.3 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | -49.9 | 131.6 | 168.3 | -70.7 | 168.8 | 0 | 0 | 0 | 108.5 | G490 | L488-G490 PolarHBondContact O-N 3.05Š| ||
| 489 | P | 48.1 | Very low | 44.4 | Very low | 122 Ų | 122 | 126 Ų | 126 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -54.8 | 112.8 | 172.6 | -24.3 | 34.2 | 0 | 0 | 0 | 108.5 | L491 | P489-L491 PolarHBondContact O-N 2.95Š| ||
| 490 | G | 42.7 | Very low | 44.5 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -56.9 | 138.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L488 R492 | L488-G490 PolarHBondContact O-N 3.05Å; G490-R492 PolarHBondContact O-N 2.89Å | ||
| 491 | L | 39.5 | Very low | 44.9 | Very low | 179 Ų | 179 | 127 Ų | 127 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | trans | -50 | 118.8 | 168.6 | -80.2 | 167.7 | 0 | 0 | 0 | 107.8 | P489 G493 | P489-L491 PolarHBondContact O-N 2.95Å; L491-G493 PolarHBondContact O-N 2.93Å | ||
| 492 | R | 41.5 | Very low | 45 | Very low | 232 Ų | 232 | 126.8 Ų | 126.8 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -63.2 | 99.8 | -178.4 | 179.4 | -176.4 | -179.9 | -176.8 | 0.5 | 107.6 | G490 | G490-R492 PolarHBondContact O-N 2.89Š| ||
| 493 | G | 49.1 | Very low | 44.9 | Very low | 49 Ų | 49 | 122.7 Ų | 122.7 | 51% | 0.505 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 148.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | L491 | L491-G493 PolarHBondContact O-N 2.93Š|
| 494 | P | 49 | Very low | 44.9 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 137 | 171.8 | 25 | -33.7 | 0 | 0 | 0 | 108.3 | G496 | P494-G496 PolarHBondContact O-N 3.24Å; P494-G496 VanDerWaalsContact O-N 3.1Å |
| 495 | P | 47.2 | Very low | 45.3 | Very low | 112 Ų | 112 | 121 Ų | 121 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51 | 124 | 173.7 | -25.7 | 34.6 | 0 | 0 | 0 | 109 | ||
| 496 | G | 47.2 | Very low | 45.2 | Very low | 62 Ų | 62 | 122 Ų | 122 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | P494 E498 | P494-G496 PolarHBondContact O-N 3.24Å; P494-G496 VanDerWaalsContact O-N 3.1Å; G496-E498 PolarHBondContact O-N 2.82Å |
| 497 | P | 47.1 | Very low | 45.1 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -55 | 127.6 | 175.4 | 24.6 | -33.5 | 0 | 0 | 0 | 108.7 | G499 | P497-G499 PolarHBondContact O-N 2.85Å; P497-G499 VanDerWaalsContact O-N 3.08Å |
| 498 | E | 44.1 | Very low | 45 | Very low | 187 Ų | 187 | 114.3 Ų | 114.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.1 | -180 | -172.2 | 170.6 | -164.2 | 0 | 0 | 108.5 | G496 | G496-E498 PolarHBondContact O-N 2.82Š|
| 499 | G | 49.2 | Very low | 44.6 | Very low | 53 Ų | 53 | 111.5 Ų | 111.5 | 55% | 0.546 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 135.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P497 P501 | P497-G499 PolarHBondContact O-N 2.85Å; P497-G499 VanDerWaalsContact O-N 3.08Å; G499-P501 WeakPolarHBondContact O-CD 3.42Å; G499-P501 VanDerWaalsContact O-N 3.15Å |
| 500 | P | 46.1 | Very low | 44.2 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124.6 | -176.7 | 22.4 | -33.2 | 0 | 0 | 0 | 109.4 | G502 | P500-G502 PolarHBondContact O-N 3.24Å; P500-G502 VanDerWaalsContact O-N 3.15Å |
| 501 | P | 54.5 | Low | 44 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 124.5 | -178.5 | -30.9 | 36.4 | 0 | 0 | 0 | 110.9 | G499 A503 | G499-P501 WeakPolarHBondContact O-CD 3.42Å; G499-P501 VanDerWaalsContact O-N 3.15Å; P501-A503 PolarHBondContact O-N 3.36Å |
| 502 | G | 47 | Very low | 44.1 | Very low | 64 Ų | 64 | 111.9 Ų | 111.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P500 I504 | P500-G502 PolarHBondContact O-N 3.24Å; P500-G502 VanDerWaalsContact O-N 3.15Å; G502-I504 PolarHBondContact O-N 3.02Å |
| 503 | A | 39.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 108 Ų | 108 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | trans | -58.4 | 97.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P501 G505 | P501-A503 PolarHBondContact O-N 3.36Å; A503-G505 PolarHBondContact O-N 3.01Å; A503-G505 VanDerWaalsContact O-N 3.09Å | ||
| 504 | I | 43.1 | Very low | 43.5 | Very low | 168 Ų | 168 | 108.7 Ų | 108.7 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -62 | 113.6 | 172 | -63.6 | 174.7 | 0 | 0 | 0 | 106.8 | G502 | G502-I504 PolarHBondContact O-N 3.02Š| ||
| 505 | G | 48.4 | Very low | 43.5 | Very low | 52 Ų | 52 | 108.7 Ų | 108.7 | 54% | 0.536 | 78% | 0.777 | S | S | . | * | trans | -59.9 | 155 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A503 G507 | A503-G505 PolarHBondContact O-N 3.01Å; A503-G505 VanDerWaalsContact O-N 3.09Å; G505-G507 VanDerWaalsContact C-N 3.26Å; G505-G507 PolarHBondContact O-N 3.43Å | ||
| 506 | P | 39.5 | Very low | 43.1 | Very low | 141 Ų | 141 | 110 Ų | 110 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 79.6 | -177.8 | 28.9 | -35.5 | 0 | 0 | 0 | 111.8 | G508 | P506-G508 PolarHBondContact O-N 3.06Š| ||
| 507 | G | 40.5 | Very low | 42.8 | Very low | 72 Ų | 72 | 110 Ų | 110 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G505 | G505-G507 VanDerWaalsContact C-N 3.26Å; G505-G507 PolarHBondContact O-N 3.43Å |
| 508 | G | 40.3 | Very low | 42.2 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 150.9 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P506 P510 | P506-G508 PolarHBondContact O-N 3.06Å; G508-P510 VanDerWaalsContact O-CD 3.3Å; G508-P510 WeakPolarHBondContact O-CD 3.4Å |
| 509 | A | 33.3 | Very low | 41.9 | Very low | 109 Ų | 109 | 108.1 Ų | 108.1 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 132.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 510 | P | 40.1 | Very low | 41.5 | Very low | 126 Ų | 126 | 108.6 Ų | 108.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -133.6 | 134.7 | 148.7 | 36.2 | -23.6 | 0 | 0 | 0 | 113.2 | G508 | G508-P510 VanDerWaalsContact O-CD 3.3Å; G508-P510 WeakPolarHBondContact O-CD 3.4Å | ||
| 511 | G | 38.3 | Very low | 41 | Very low | 82 Ų | 82 | 106 Ų | 106 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 105.1 | 98.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 512 | I | 41.7 | Very low | 40.4 | Very low | 169 Ų | 169 | 105.9 Ų | 105.9 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -116.2 | 130.1 | 158.7 | 50.8 | 163.4 | 0 | 0 | 0 | 110.5 | ||||
| 513 | T | 36.3 | Very low | 40.1 | Very low | 151 Ų | 151 | 106 Ų | 106 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | trans | 175 | 139.2 | 161.2 | -74.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 514 | G | 41.3 | Very low | 39.9 | Very low | 62 Ų | 62 | 106.1 Ų | 106.1 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | cis | -163.8 | -174.1 | 9.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 515 | P | 48.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 106.5 Ų | 106.5 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | -138.4 | -171.3 | -127 | 34 | -12.2 | 0 | 0 | 0 | 117.6 | |||||
| 516 | V | 39.9 | Very low | 39.6 | Very low | 139 Ų | 139 | 107 Ų | 107 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | 81.7 | 138.8 | 164.1 | -168.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 517 | G | 40 | Very low | 39.6 | Very low | 61 Ų | 61 | 106.7 Ų | 106.7 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | 152.5 | 169.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 518 | E | 36 | Very low | 39.4 | Very low | 164 Ų | 164 | 109 Ų | 109 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | 63.2 | 154 | 150.4 | -67.5 | -106.8 | 107.2 | 0 | 0 | 120.5 | ||||
| 519 | K | 37.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 50% | 0.496 | 74% | 0.739 | S | S | . | * | cis | -177.6 | 146.7 | -13.9 | 158.7 | 178 | 160.9 | -76 | 0 | 113.5 | ||||
| 520 | G | 39.6 | Very low | 39.5 | Very low | 63 Ų | 63 | 112.9 Ų | 112.9 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | trans | 106.1 | 164.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 521 | A | 36.2 | Very low | 39.3 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | cis | -170 | 151.7 | -15.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 522 | Q | 41.5 | Very low | 40 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 57% | 0.565 | 74% | 0.735 | S | S | * | * | trans | 57.8 | 143.2 | 138.1 | -160.1 | 169.1 | 5 | 0 | 0 | 120.1 | D524 | Q522-D524 VanDerWaalsContact CG-OD2 3.23Å; Q522-D524 WeakPolarHBondContact CG-OD2 3.3Å; Q522-D524 PolarHBondContact NE2-OD2 2.97Å | ||
| 523 | G | 42 | Very low | 39.8 | Very low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | 171.7 | -170.8 | 7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | D | 35.1 | Very low | 39.9 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | cis | -163 | -139.6 | -11.1 | -77.6 | -34.2 | 0 | 0 | 0 | 106.3 | Q522 | Q522-D524 VanDerWaalsContact CG-OD2 3.23Å; Q522-D524 WeakPolarHBondContact CG-OD2 3.3Å; Q522-D524 PolarHBondContact NE2-OD2 2.97Å | ||
| 525 | I | 39.5 | Very low | 40.5 | Very low | 175 Ų | 175 | 113.4 Ų | 113.4 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | trans | 81.1 | 162.6 | 162.8 | -55.4 | 176.2 | 0 | 0 | 0 | 116.2 | ||||
| 526 | G | 44.5 | Very low | 40.3 | Very low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | -165.7 | -166.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 527 | P | 38.9 | Very low | 40.2 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | -143.8 | 167 | 106 | 39.7 | -26.8 | 0 | 0 | 0 | 116.3 | |||||
| 528 | S | 38.2 | Very low | 40.8 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -78.9 | 170.4 | 171.9 | -46.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 529 | G | 38.7 | Very low | 41.1 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | 113.1 | 135.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 530 | L | 35.9 | Very low | 41.3 | Very low | 193 Ų | 193 | 115.1 Ų | 115.1 | 100% | 1.01 | 75% | 0.746 | S | S | * | * | trans | -140.8 | 168.1 | 177.4 | -82.8 | -177 | 0 | 0 | 0 | 113.4 | ||||
| 531 | K | 36.5 | Very low | 41.4 | Very low | 203 Ų | 203 | 114.7 Ų | 114.7 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | -145.4 | 149.2 | -157.3 | -177.2 | 180 | 178.3 | -179.9 | 0 | 112.1 | ||||
| 532 | G | 51.9 | Low | 41.5 | Very low | 58 Ų | 58 | 119.4 Ų | 119.4 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | trans | -87.5 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 533 | P | 38.1 | Very low | 41.3 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -96.3 | 176.3 | -177.4 | 37.8 | -34.4 | 0 | 0 | 0 | 114.9 | ||||
| 534 | T | 39.3 | Very low | 41.2 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 150.4 | -165.7 | -57.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 535 | G | 53.1 | Low | 41.3 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 83.3 | 179.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 536 | P | 43.1 | Very low | 41.9 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | cis | -120.3 | -159.4 | 8.7 | 44.3 | -31 | 0 | 0 | 0 | 112.6 | ||||
| 537 | R | 39.5 | Very low | 41.5 | Very low | 209 Ų | 209 | 121.7 Ų | 121.7 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | cis | -164.2 | 156 | -45.8 | 164.3 | 177.2 | 161 | -166.6 | -12.6 | 108.7 | S539 | R537-S539 PolarHBondContact NH2-OG 3.34Š| ||
| 538 | G | 51.4 | Low | 41.9 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -128.8 | -176.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 539 | S | 43.6 | Very low | 41.9 | Very low | 87 Ų | 87 | 122.1 Ų | 122.1 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | 167.3 | 165.1 | 173.4 | 45 | 0 | 0 | 0 | 0 | 110.9 | R537 | R537-S539 PolarHBondContact NH2-OG 3.34Š| ||
| 540 | V | 41.6 | Very low | 41.9 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | cis | -176 | 157.3 | -13.2 | 142.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 541 | G | 40.9 | Very low | 42.1 | Very low | 54 Ų | 54 | 122.3 Ų | 122.3 | 56% | 0.557 | 78% | 0.784 | S | S | * | * | cis | 139.4 | 137.3 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 542 | N | 38.3 | Very low | 42.8 | Very low | 165 Ų | 165 | 118.6 Ų | 118.6 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 158.9 | 156.3 | -61.6 | -0.3 | 0 | 0 | 0 | 119.8 | ||||
| 543 | S | 36.6 | Very low | 42.1 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | cis | -171.1 | 164.8 | -11.3 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 544 | G | 40.3 | Very low | 42.6 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -165.2 | 156.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 545 | Q | 36.6 | Very low | 42.4 | Very low | 197 Ų | 197 | 122.8 Ų | 122.8 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -149.1 | -174.6 | -162.5 | -124.3 | -160.8 | -5 | 0 | 0 | 115.4 | ||||
| 546 | P | 52.8 | Low | 41.8 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -130.3 | -167.3 | -123.3 | 44.7 | -25.3 | 0 | 0 | 0 | 116.8 | |||||
| 547 | G | 36.8 | Very low | 42 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -153.9 | 157.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 548 | P | 46.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -133.9 | -179.8 | -153.4 | 41.6 | -24 | 0 | 0 | 0 | 118.6 | ||||
| 549 | T | 37.5 | Very low | 41.5 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 95.5 | 126.1 | 154.7 | -51.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 550 | G | 39.9 | Very low | 41.3 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 160.2 | 85.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 551 | E | 39.1 | Very low | 41.4 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -96.2 | -178.4 | 168.2 | -52.8 | -168.9 | 132.6 | 0 | 0 | 111.2 | ||||
| 552 | P | 51.6 | Low | 41.5 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -129 | 167.6 | -83.8 | 38.4 | -21.9 | 0 | 0 | 0 | 113.6 | |||||
| 553 | G | 36.6 | Very low | 42 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 170.1 | 146 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 554 | P | 48.8 | Very low | 42.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -117 | 143.7 | -164 | 39.9 | -30.2 | 0 | 0 | 0 | 117.4 | ||||
| 555 | K | 35.3 | Very low | 42.7 | Very low | 215 Ų | 215 | 129.4 Ų | 129.4 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | trans | -179.8 | 150 | 151.7 | -104.7 | 172.8 | -179.1 | 178.9 | 0 | 107 | ||||
| 556 | G | 40.3 | Very low | 43.1 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | cis | -166.8 | 173.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 557 | P | 47.4 | Very low | 42.7 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -85.3 | 145 | -168.2 | 33.3 | -35.7 | 0 | 0 | 0 | 114.3 | ||||
| 558 | L | 36.4 | Very low | 42.9 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | 167.1 | 139.7 | 122.1 | -170.9 | 65.6 | 0 | 0 | 0 | 110.2 | |||||
| 559 | G | 44.8 | Very low | 42.6 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | 163.2 | 89.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 560 | S | 38.6 | Very low | 42.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 83% | 0.834 | S | S | * | * | trans | -104.3 | 177.9 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 561 | I | 43.4 | Very low | 42.6 | Very low | 175 Ų | 175 | 128 Ų | 128 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | 80.5 | 124.6 | -177.2 | -49.4 | 166.4 | 0 | 0 | 0 | 112.9 | ||||
| 562 | G | 42.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | cis | -172.9 | 169.3 | -3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 563 | R | 50.6 | Low | 42.1 | Very low | 258 Ų | 258 | 126.2 Ų | 126.2 | 97% | 0.974 | 83% | 0.832 | S | S | * | * | trans | -95.8 | 133.1 | 174.9 | -76.8 | -175.5 | 173.3 | -170.2 | -0.7 | 111.7 | ||||
| 564 | P | 49.4 | Very low | 42.3 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -135.8 | 149.6 | 134.9 | 34.7 | -22 | 0 | 0 | 0 | 111.6 | ||||
| 565 | G | 42.2 | Very low | 41.9 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | cis | -176.5 | 158.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 566 | M | 45 | Very low | 42.1 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -97.2 | 134.7 | 179.1 | -69.8 | 176.9 | 67.1 | 0 | 0 | 112.1 | ||||
| 567 | P | 44.6 | Very low | 42 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | -139.8 | 158.3 | 129 | 36.6 | -24 | 0 | 0 | 0 | 111.9 | |||||
| 568 | G | 41.1 | Very low | 41.6 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | cis | -169.1 | 178.8 | -2.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 569 | A | 39.5 | Very low | 41.6 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | trans | -134.5 | 142 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 570 | A | 35.5 | Very low | 41.3 | Very low | 111 Ų | 111 | 126 Ų | 126 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | 152.4 | 142.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 571 | G | 40.7 | Very low | 41.3 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | 155.8 | 87.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 572 | I | 39.5 | Very low | 41.2 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -145.2 | 134.9 | 170.1 | -51.2 | 176.2 | 0 | 0 | 0 | 104 | ||||
| 573 | P | 42.6 | Very low | 41.1 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | -149 | -174.8 | 50.5 | 41.5 | -20 | 0 | 0 | 0 | 117.7 | |||||
| 574 | G | 40.7 | Very low | 40.2 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 160.3 | 110.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 575 | P | 39.9 | Very low | 39.6 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -108.5 | 142.8 | -168.2 | 37.8 | -33 | 0 | 0 | 0 | 117.9 | ||||
| 576 | H | 38.7 | Very low | 39.5 | Very low | 196 Ų | 196 | 126.8 Ų | 126.8 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | 46.9 | 127.4 | 150.2 | -94.4 | 94.1 | 0 | 0 | 0 | 123.8 | ||||
| 577 | G | 38.9 | Very low | 39 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -158.5 | 153.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 578 | P | 39.4 | Very low | 39.1 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -121.6 | -175.1 | -151.7 | 43.2 | -32.7 | 0 | 0 | 0 | 117.3 | ||||
| 579 | Q | 34.6 | Very low | 39.2 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | 89.4 | 131.7 | 160.4 | -167 | 174.4 | -10 | 0 | 0 | 118.8 | ||||
| 580 | G | 39.8 | Very low | 39 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 167.3 | 88 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 581 | G | 38.3 | Very low | 39 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -175.2 | 99.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 582 | Q | 40.5 | Very low | 39.1 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -169.3 | 152.1 | 146.6 | -113.6 | -175.7 | 14.6 | 0 | 0 | 111.4 | ||||
| 583 | G | 40.9 | Very low | 39 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 175.3 | 103.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 584 | L | 32.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -125.6 | 127.9 | -166 | -71.5 | 165.1 | 0 | 0 | 0 | 112.9 | ||||
| 585 | R | 36.9 | Very low | 38.6 | Very low | 261 Ų | 261 | 128.9 Ų | 128.9 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | trans | 169 | 147.4 | 147.8 | -99.4 | 168.6 | 173.2 | -166.9 | -3 | 110 | ||||
| 586 | G | 39.6 | Very low | 38.2 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | cis | -177.1 | 156.2 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 587 | L | 34.6 | Very low | 38.5 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -95.9 | -175.2 | 169.8 | -64.7 | 165.9 | 0 | 0 | 0 | 109.5 | ||||
| 588 | P | 46.5 | Very low | 38.3 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | cis | -129.9 | -173.3 | -18.8 | 22.1 | 2.4 | 0 | 0 | 0 | 113.1 | ||||
| 589 | G | 43.8 | Very low | 38.3 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 172.8 | 128.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 590 | S | 34.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -147.2 | 155.7 | -167 | 59.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 591 | V | 35.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | 76.5 | 128.1 | 168 | -167.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 592 | G | 42.7 | Very low | 38.3 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -166.4 | 3.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 593 | K | 36.3 | Very low | 38.3 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 81% | 0.809 | 83% | 0.825 | S | S | * | * | trans | 49 | 109.5 | 164.1 | -61.9 | -176.5 | 178.8 | -179.6 | 0 | 122.1 | ||||
| 594 | T | 35.1 | Very low | 38.2 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | 56 | 131.9 | 124.4 | -44 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 595 | G | 39.7 | Very low | 38.7 | Very low | 60 Ų | 60 | 125.7 Ų | 125.7 | 62% | 0.619 | 82% | 0.82 | S | S | * | * | trans | 135.9 | 84.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 596 | D | 32.1 | Very low | 38.7 | Very low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | 83.8 | 162.6 | 84.9 | -67.8 | -40.8 | 0 | 0 | 0 | 114.1 | |||||
| 597 | P | 45.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | -133.3 | 168.2 | -64.6 | 39.6 | -24.3 | 0 | 0 | 0 | 114.4 | |||||
| 598 | G | 34.4 | Very low | 39 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 162.4 | 151.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 599 | A | 39.9 | Very low | 38.6 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -149.2 | 157.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 600 | V | 34.3 | Very low | 38.6 | Very low | 152 Ų | 152 | 125 Ų | 125 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 170.6 | 138.8 | 141 | 146.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 601 | G | 40.6 | Very low | 38.8 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 84.8 | 157.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 602 | S | 37.5 | Very low | 39.1 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | cis | -156.3 | 178.4 | -17.6 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 603 | K | 40.9 | Very low | 38.7 | Very low | 213 Ų | 213 | 126.3 Ų | 126.3 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -95.9 | 135 | -158 | 168.9 | -171.7 | 175 | -177.1 | 0 | 115.1 | ||||
| 604 | G | 39.1 | Very low | 38.4 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | 149 | 168.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 605 | P | 42.5 | Very low | 38.7 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | cis | -135.1 | 169.8 | -15 | 42.9 | -27.4 | 0 | 0 | 0 | 115.1 | ||||
| 606 | R | 37.7 | Very low | 38.6 | Very low | 226 Ų | 226 | 124.2 Ų | 124.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | 24.1 | 119.4 | 133.6 | -171.5 | 179.1 | -174.6 | 165.7 | 0.5 | 118.1 | ||||
| 607 | G | 36.7 | Very low | 39.2 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | 115.4 | 160.5 | 86.4 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 608 | D | 42.4 | Very low | 39.2 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | cis | -137.3 | 136.3 | 1.8 | -73.2 | -47.6 | 0 | 0 | 0 | 107.7 | ||||
| 609 | R | 38.3 | Very low | 39.8 | Very low | 209 Ų | 209 | 120.2 Ų | 120.2 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | 58.5 | 102.9 | 83.1 | -165.3 | -172.3 | -172.3 | -174.1 | 3.8 | 116 | |||||
| 610 | G | 44.3 | Very low | 40 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 118.9 | 154.8 | 133.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 611 | P | 39.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | cis | -71.6 | 152.1 | 5.9 | 26.3 | -33.5 | 0 | 0 | 0 | 114.5 | ||||
| 612 | R | 40.8 | Very low | 40.3 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | cis | 59.7 | 89.3 | 17.3 | -167.3 | 180 | -167.9 | -154.8 | -0.2 | 113.3 | E614 | R612-E614 IonicContact CZ-OE2 3.15Å; R612-E614 IonicContact NE-OE2 2.74Å; R612-E614 PolarHBondContact NE-OE2 2.93Å; R612-E614 IonicContact NH2-OE2 2.7Å; R612-E614 PolarHBondContact NH2-OE2 2.86Å | ||
| 613 | G | 35.6 | Very low | 40.4 | Very low | 57 Ų | 57 | 121.4 Ų | 121.4 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | cis | 76.8 | 148.5 | 32.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 614 | E | 29.5 | Very low | 40.3 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | 67.4 | 165.3 | -160 | -43.6 | 169.2 | 112.6 | 0 | 0 | 112.7 | R612 | R612-E614 IonicContact CZ-OE2 3.15Å; R612-E614 IonicContact NE-OE2 2.74Å; R612-E614 PolarHBondContact NE-OE2 2.93Å; R612-E614 IonicContact NH2-OE2 2.7Å; R612-E614 PolarHBondContact NH2-OE2 2.86Å | ||
| 615 | P | 40.2 | Very low | 40.5 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | cis | -118.8 | 150.6 | -19.7 | 14.8 | 7.8 | 0 | 0 | 0 | 112.8 | ||||
| 616 | G | 38.5 | Very low | 40 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -103.2 | -169.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 617 | A | 44.9 | Very low | 39.9 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | 68.9 | 154.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 618 | P | 44.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -123.3 | 142.8 | 51.2 | 35.5 | -22.7 | 0 | 0 | 0 | 115.2 | |||||
| 619 | G | 47.4 | Very low | 39.8 | Very low | 51 Ų | 51 | 120.5 Ų | 120.5 | 53% | 0.526 | 75% | 0.748 | S | S | . | * | trans | -94.7 | 143.2 | 141.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 620 | P | 45.3 | Very low | 39.6 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -72.5 | 131.5 | 157.1 | 32.4 | -31 | 0 | 0 | 0 | 108 | ||||
| 621 | F | 36.5 | Very low | 39.5 | Very low | 164 Ų | 164 | 122.2 Ų | 122.2 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | 56.8 | 126.5 | 61.8 | -74.3 | -92.3 | 0 | 0 | 0 | 112.8 | P833 | F621-P833 HydrophobicContact CD2-CG 4.38Å; F621-P833 HydrophobicContact CE2-CG 4.04Å; F621-P833 HydrophobicContact CZ-CG 4.23Å | |||
| 622 | G | 44.4 | Very low | 39.3 | Very low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | cis | -165.1 | -127.1 | 4.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 623 | P | 39 | Very low | 38.9 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | -116.9 | 177.4 | -90.5 | 38.4 | -35.3 | 0 | 0 | 0 | 114.5 | |||||
| 624 | S | 39.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -62.9 | 149.5 | 176.6 | -171.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 625 | G | 42.7 | Very low | 39.7 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -133.6 | 123.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 626 | E | 32.3 | Very low | 39.6 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -88.6 | 143.8 | -171.2 | -69.5 | -168.3 | 96.5 | 0 | 0 | 114.5 | ||||
| 627 | K | 35.2 | Very low | 39.6 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 39.9 | 100.5 | 133.5 | -167.1 | -175.2 | -175.7 | 179.7 | 0 | 118.3 | ||||
| 628 | G | 43.4 | Very low | 39.7 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -127.7 | 117.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 629 | Q | 35 | Very low | 39.2 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -98.1 | 148 | 174.6 | -92.7 | -166.5 | -1.9 | 0 | 0 | 112.2 | ||||
| 630 | R | 33.2 | Very low | 38.9 | Very low | 222 Ų | 222 | 138 Ų | 138 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | 65.5 | 98.7 | 159.1 | -171.6 | -177.6 | -72.1 | -157.7 | -2.9 | 117.2 | ||||
| 631 | G | 41.7 | Very low | 38.4 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -117.9 | 132.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 632 | Q | 36 | Very low | 38.6 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -119.5 | 168.4 | 171.7 | -90.9 | -169.2 | -10.6 | 0 | 0 | 110 | ||||
| 633 | S | 32.6 | Very low | 38.9 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | 77.4 | 147.7 | -179.5 | 79.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 634 | G | 42.8 | Very low | 39.2 | Very low | 79 Ų | 79 | 145.4 Ų | 145.4 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | cis | -142.5 | 166.2 | 5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 635 | K | 38.9 | Very low | 39.1 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 92% | 0.922 | 84% | 0.841 | S | S | * | * | trans | -113.4 | 131.2 | 172 | -67 | -177.8 | 177.6 | -176.8 | 0 | 110.5 | ||||
| 636 | R | 37.7 | Very low | 39.5 | Very low | 252 Ų | 252 | 145.5 Ų | 145.5 | 95% | 0.951 | 83% | 0.834 | S | S | * | * | trans | 177.5 | 148.5 | 150.1 | -165.9 | 162.4 | -72.4 | -121 | 2.3 | 107.9 | ||||
| 637 | G | 38.2 | Very low | 40 | Very low | 64 Ų | 64 | 143.5 Ų | 143.5 | 66% | 0.66 | 84% | 0.837 | S | S | * | * | cis | -152.9 | -171.6 | 2.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 638 | P | 47.2 | Very low | 40.4 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -117.5 | -168.8 | -159.2 | 43.5 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 639 | M | 35.3 | Very low | 40.9 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 98% | 0.975 | 83% | 0.83 | S | S | * | * | trans | 84.8 | 142 | 177.1 | -160.6 | 175.7 | 72.7 | 0 | 0 | 114.1 | ||||
| 640 | G | 39.8 | Very low | 41 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | cis | -141.8 | -166.6 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 641 | A | 35.2 | Very low | 41.7 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -106.7 | -179.8 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 642 | E | 40.6 | Very low | 41.5 | Very low | 204 Ų | 204 | 130 Ų | 130 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | 97.6 | 123 | 157.1 | -159 | 159.9 | -138.8 | 0 | 0 | 118.1 | ||||
| 643 | G | 51.4 | Low | 41.8 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 164.6 | 30.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 644 | R | 44.7 | Very low | 42.6 | Very low | 253 Ų | 253 | 126.1 Ų | 126.1 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | trans | 55.3 | 111.1 | 173.1 | -65.6 | -174.3 | 174.8 | -167.6 | -2.8 | 117.7 | ||||
| 645 | V | 38 | Very low | 42.5 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -72.8 | 138.5 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 112.9 | E648 | V645-E648 HydrophobicContact CG1-CB 4.09Š| ||
| 646 | G | 51.3 | Low | 42.5 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | 167.1 | 152 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 647 | P | 41.9 | Very low | 42.7 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | cis | -93.5 | 115.9 | -11.4 | 33.9 | -25.5 | 0 | 0 | 0 | 110.5 | G649 | P647-G649 PolarHBondContact O-N 3.49Š| ||
| 648 | E | 44.7 | Very low | 43.1 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 102.3 | -179.2 | -159.4 | -177.9 | 155.7 | 0 | 0 | 111.8 | V645 S650 | V645-E648 HydrophobicContact CG1-CB 4.09Å; E648-S650 WeakPolarHBondContact CG-OG 3.35Å; E648-S650 PolarHBondContact O-N 2.75Å; E648-S650 VanDerWaalsContact OE1-CB 3.3Å; E648-S650 WeakPolarHBondContact OE1-CB 3.43Å; E648-S650 PolarHBondContact OE1-OG 3.46Å | ||
| 649 | G | 53.9 | Low | 42.6 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -84.9 | 92.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P647 | P647-G649 PolarHBondContact O-N 3.49Š| ||
| 650 | S | 36.9 | Very low | 43.3 | Very low | 67 Ų | 67 | 118 Ų | 118 | 47% | 0.469 | 78% | 0.777 | S | S | . | * | trans | -151.7 | 176.4 | -178.8 | 78.4 | 0 | 0 | 0 | 0 | 110.7 | E648 | E648-S650 WeakPolarHBondContact CG-OG 3.35Å; E648-S650 PolarHBondContact O-N 2.75Å; E648-S650 VanDerWaalsContact OE1-CB 3.3Å; E648-S650 WeakPolarHBondContact OE1-CB 3.43Å; E648-S650 PolarHBondContact OE1-OG 3.46Å | ||
| 651 | P | 47.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 57% | 0.571 | 78% | 0.777 | S | S | * | * | -135.3 | 172 | -86.6 | 38.7 | -21.7 | 0 | 0 | 0 | 114.3 | T653 | P651-T653 HydrophobicContact CG-CG2 3.78Å; P651-T653 PolarHBondContact O-N 2.75Å | |||
| 652 | G | 37.4 | Very low | 43.5 | Very low | 88 Ų | 88 | 119.4 Ų | 119.4 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | trans | -71.6 | 66.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 653 | T | 41.8 | Very low | 43.9 | Very low | 107 Ų | 107 | 115 Ų | 115 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.4 | 178.5 | 12.4 | 0 | 0 | 0 | 0 | 112.5 | P651 | P651-T653 HydrophobicContact CG-CG2 3.78Å; P651-T653 PolarHBondContact O-N 2.75Å |
| 654 | P | 49.6 | Very low | 43.2 | Very low | 109 Ų | 109 | 115 Ų | 115 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 145.9 | -165.4 | -16.6 | 32 | 0 | 0 | 0 | 114.6 | K656 | P654-K656 PolarHBondContact O-N 2.74Š|
| 655 | G | 40.9 | Very low | 42.9 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.8 | 157 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 656 | K | 38.7 | Very low | 43.4 | Very low | 193 Ų | 193 | 111.9 Ų | 111.9 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 153.6 | 173.4 | -65.2 | 175.2 | -177.6 | 172.2 | 0 | 109.9 | P654 | P654-K656 PolarHBondContact O-N 2.74Š|
| 657 | P | 41.6 | Very low | 43 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.5 | 166.8 | -21.9 | 33.5 | 0 | 0 | 0 | 111.3 | ||
| 658 | G | 45.6 | Very low | 43 | Very low | 70 Ų | 70 | 114.7 Ų | 114.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -125 | 138.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 659 | D | 38.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 158.7 | -170.4 | -67.4 | -65.9 | 0 | 0 | 0 | 113.8 | ||||
| 660 | P | 49.5 | Very low | 42.3 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | trans | -100.7 | 162.1 | -151.2 | -3.1 | 24.2 | 0 | 0 | 0 | 116.9 | ||||
| 661 | G | 40.3 | Very low | 42.9 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 141.8 | 158 | 156.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 662 | P | 38.7 | Very low | 43.4 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | cis | -103.2 | -163.2 | -4.2 | 41 | -32.9 | 0 | 0 | 0 | 112.4 | ||||
| 663 | A | 47.9 | Very low | 44 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -125.1 | 156.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 664 | G | 37.2 | Very low | 44.5 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 136.5 | 136.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 665 | E | 38.1 | Very low | 44.5 | Very low | 193 Ų | 193 | 118.9 Ų | 118.9 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | cis | -139.7 | 168.4 | -3.9 | -86.7 | -159.7 | 118.6 | 0 | 0 | 110.8 | ||||
| 666 | P | 49.1 | Very low | 44.3 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -101.8 | 154.9 | -163.5 | 15.9 | 2.8 | 0 | 0 | 0 | 115.9 | ||||
| 667 | G | 42.8 | Very low | 44.5 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | 175.6 | 138.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 668 | H | 42.9 | Very low | 44.2 | Very low | 193 Ų | 193 | 125.2 Ų | 125.2 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | cis | -137.2 | 157.7 | -11.8 | -87 | -86.2 | 0 | 0 | 0 | 109.9 | ||||
| 669 | I | 35.7 | Very low | 43.9 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 121.1 | -176.3 | -59.6 | 172.9 | 0 | 0 | 0 | 110.9 | ||
| 670 | G | 48.2 | Very low | 44.1 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93 | 136.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 671 | P | 49.5 | Very low | 44 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 132.2 | -170.6 | 28.5 | -34.4 | 0 | 0 | 0 | 112.7 | G673 | P671-G673 PolarHBondContact O-N 3.03Š|
| 672 | P | 56.9 | Low | 44.2 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.1 | 163.4 | -19.8 | 32.7 | 0 | 0 | 0 | 110.7 | ||
| 673 | G | 49.6 | Very low | 44.5 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P671 P675 | P671-G673 PolarHBondContact O-N 3.03Å; G673-P675 WeakPolarHBondContact O-CD 3.29Å |
| 674 | P | 54.1 | Low | 44.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.9 | -168.2 | 26.3 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 675 | P | 47.9 | Very low | 44.7 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 141 | 160.3 | -18.7 | 33.3 | 0 | 0 | 0 | 110.1 | G673 | G673-P675 WeakPolarHBondContact O-CD 3.29Š|
| 676 | G | 38.7 | Very low | 45.7 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 131.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 677 | E | 41.9 | Very low | 46 | Very low | 198 Ų | 198 | 126.1 Ų | 126.1 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 140 | 173.1 | -65.7 | -165.9 | 131.8 | 0 | 0 | 112.6 | ||
| 678 | R | 36.3 | Very low | 46.2 | Very low | 255 Ų | 255 | 126.3 Ų | 126.3 | 96% | 0.962 | 81% | 0.806 | S | S | * | * | trans | -122.6 | 100.2 | 164.8 | 178.5 | -172.7 | -77.5 | -163.4 | -3.2 | 109.2 | ||||
| 679 | G | 38.5 | Very low | 47.1 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 179.3 | 155 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 680 | A | 41.6 | Very low | 48.2 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | cis | -137.2 | 156 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 681 | P | 48.3 | Very low | 47.9 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -72.7 | 136 | 174.2 | -15.4 | 30.9 | 0 | 0 | 0 | 113.2 | ||||
| 682 | G | 45.2 | Very low | 48.1 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 28.5 | 115.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 683 | Q | 43.9 | Very low | 47.5 | Very low | 203 Ų | 203 | 127.9 Ų | 127.9 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 140 | 153.7 | -68.3 | -173.1 | 6.7 | 0 | 0 | 110.8 | ||
| 684 | M | 40.6 | Very low | 47.2 | Very low | 190 Ų | 190 | 128.1 Ų | 128.1 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 133.5 | 174.7 | -175.9 | 163 | 55.9 | 0 | 0 | 110.2 | ||
| 685 | G | 49.2 | Very low | 46.7 | Very low | 59 Ų | 59 | 130.5 Ų | 130.5 | 61% | 0.608 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80 | 171.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 686 | P | 58.2 | Low | 46.2 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 138.4 | 177.7 | 29.4 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 687 | P | 56.7 | Low | 46.2 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 145.4 | 172.1 | -24.1 | 34.7 | 0 | 0 | 0 | 113.1 | ||
| 688 | G | 47.2 | Very low | 46.1 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 689 | P | 61.7 | Low | 46.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.3 | 178.1 | 27.6 | -34 | 0 | 0 | 0 | 111.6 | ||
| 690 | P | 57.8 | Low | 46.6 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141 | 178.5 | -24.6 | 34.6 | 0 | 0 | 0 | 113.6 | ||
| 691 | G | 42 | Very low | 46.7 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 692 | R | 53.5 | Low | 46.3 | Very low | 247 Ų | 247 | 125.7 Ų | 125.7 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 120.1 | 162.5 | -83.6 | -174.8 | 168.3 | -174.8 | -3.7 | 109.9 | ||
| 693 | A | 44.2 | Very low | 46.4 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 150.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 694 | G | 43.2 | Very low | 46.5 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | cis | 155.9 | 120.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 695 | D | 43.7 | Very low | 46.2 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | -118.2 | 158.7 | -178.2 | -85.6 | -60.9 | 0 | 0 | 0 | 112.5 | ||||
| 696 | K | 38.1 | Very low | 45.6 | Very low | 210 Ų | 210 | 127.1 Ų | 127.1 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -134.4 | 126.7 | -155.9 | 178.8 | -175.4 | 176.6 | -176.5 | 0 | 112.9 | ||||
| 697 | G | 39.4 | Very low | 44.8 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 103.9 | 162.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 698 | A | 39.7 | Very low | 43.9 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | cis | -91 | 169.4 | 9.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 699 | S | 41.9 | Very low | 43.7 | Very low | 124 Ų | 124 | 128 Ų | 128 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -131.4 | 143.5 | 174.4 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 700 | G | 42.2 | Very low | 42.7 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 139.8 | 157.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 701 | P | 43.8 | Very low | 41.8 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | cis | -91.8 | 158.7 | -2.1 | 36.1 | -33.7 | 0 | 0 | 0 | 113.6 | ||||
| 702 | V | 41 | Very low | 41.7 | Very low | 145 Ų | 145 | 125 Ų | 125 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -86.3 | 137.7 | 167.5 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 703 | G | 46.9 | Very low | 41.2 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -121.7 | 29.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 704 | R | 46.3 | Very low | 40.9 | Very low | 242 Ų | 242 | 125.5 Ų | 125.5 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | 67.9 | 142.3 | 172.7 | -74.1 | -176 | 161.7 | 178.6 | -5.2 | 119.7 | ||||
| 705 | D | 34 | Very low | 40.6 | Very low | 166 Ų | 166 | 125 Ų | 125 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -89 | 158.7 | 170.7 | -52.4 | -87.1 | 0 | 0 | 0 | 113.7 | ||||
| 706 | G | 36.1 | Very low | 40.3 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 93.1 | 150.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 707 | A | 41.1 | Very low | 40.4 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | cis | -95.7 | 157 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 708 | K | 39.1 | Very low | 40.2 | Very low | 206 Ų | 206 | 122.3 Ų | 122.3 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | cis | 77.7 | 88.6 | 25 | -165.6 | -175.5 | 175.6 | -178.1 | 0 | 115.6 | ||||
| 709 | G | 41.3 | Very low | 39.8 | Very low | 35 Ų | 35 | 124.7 Ų | 124.7 | 36% | 0.361 | 75% | 0.749 | S | S | . | * | trans | 140.3 | 138.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T747 | G709-T747 WeakPolarHBondContact O-CG2 3.48Š| ||
| 710 | D | 41.7 | Very low | 39.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 42% | 0.417 | 75% | 0.749 | S | S | . | * | cis | -154.6 | 166.3 | -13 | -134.1 | -23.2 | 0 | 0 | 0 | 114.5 | G748 P749 R750 | D710-G748 PolarHBondContact N-O 3Å; D710-P749 HydrophobicContact CB-CB 4.24Å; D710-R750 HydrophobicContact CB-CB 4.3Å; D710-R750 VanDerWaalsContact CG-NH1 3.26Å; D710-R750 IonicContact OD1-NH1 2.74Å; D710-R750 PolarHBondContact OD1-NH1 2.81Å; D710-R750 VanDerWaalsContact OD1-NH1 3.09Å; D710-R750 VanDerWaalsContact OD2-CD 3.29Å; D710-R750 WeakPolarHBondContact OD2-CD 3.25Å; D710-R750 IonicContact OD2-CZ 3.84Å; D710-R750 IonicContact OD2-NE 2.74Å; D710-R750 IonicContact OD2-NH1 2.72Å; D710-R750 PolarHBondContact OD2-NH1 3.16Å | ||
| 711 | R | 38.7 | Very low | 38.7 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 50% | 0.502 | 75% | 0.749 | S | S | . | * | trans | -54.7 | 146.5 | 166.8 | 177.7 | -172.1 | -163.9 | 153.8 | -8.9 | 112.5 | R750 E752 | R711-R750 WeakPolarHBondContact O-CA 2.96Å; R711-E752 VanDerWaalsContact CZ-CD 3.45Å; R711-E752 IonicContact CZ-OE1 2.72Å; R711-E752 IonicContact CZ-OE2 3.13Å; R711-E752 VanDerWaalsContact CZ-OE2 3.27Å; R711-E752 IonicContact NE-OE1 3.17Å; R711-E752 PolarHBondContact NE-OE1 3.1Å; R711-E752 IonicContact NE-OE2 2.68Å; R711-E752 PolarHBondContact NE-OE2 2.95Å; R711-E752 IonicContact NH2-OE1 3.73Å; R711-E752 PolarHBondContact NH2-OE1 3.25Å; R711-E752 IonicContact NH2-OE2 2.67Å; R711-E752 PolarHBondContact NH2-OE2 2.93Å | ||
| 712 | G | 40.1 | Very low | 38.1 | Very low | 63 Ų | 63 | 124.7 Ų | 124.7 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | -152 | -145.8 | 8.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 713 | E | 42 | Very low | 37.6 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -131.4 | -154.2 | 10.2 | -63.5 | -164.2 | 120.9 | 0 | 0 | 113.1 | ||||
| 714 | K | 39.4 | Very low | 36.8 | Very low | 208 Ų | 208 | 124.6 Ų | 124.6 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -145.4 | 140 | -155.4 | 167.7 | -156.8 | 165 | -160.6 | 0 | 111.7 | ||||
| 715 | G | 36.2 | Very low | 36.1 | Very low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | trans | 120.1 | 145.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 716 | D | 38.4 | Very low | 36.2 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | cis | -144.1 | 144 | -2.6 | -76.4 | -44 | 0 | 0 | 0 | 107.3 | ||||
| 717 | M | 38.8 | Very low | 36.4 | Very low | 184 Ų | 184 | 117.1 Ų | 117.1 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | 66.4 | 120.2 | 66.6 | -177.3 | 173.9 | 168.5 | 0 | 0 | 115.3 | |||||
| 718 | G | 36.2 | Very low | 36.1 | Very low | 62 Ų | 62 | 119.7 Ų | 119.7 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | trans | 87.3 | 105.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 719 | D | 29.8 | Very low | 36.1 | Very low | 158 Ų | 158 | 116 Ų | 116 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | 68.4 | 126.4 | 59.4 | -70.4 | -44 | 0 | 0 | 0 | 116 | |||||
| 720 | S | 31.3 | Very low | 36.1 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | 48.6 | 122.8 | 148.4 | -56.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 721 | G | 30.5 | Very low | 35.6 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 150.7 | 93 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 722 | T | 30.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 12.3 | 133.6 | 137.4 | 52.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 723 | V | 31.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | 79 | 133.6 | 148 | 175.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 724 | G | 29.4 | Very low | 34.8 | Very low | 63 Ų | 63 | 121.4 Ų | 121.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | 118.7 | 146.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 725 | V | 32.1 | Very low | 34.7 | Very low | 134 Ų | 134 | 123 Ų | 123 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -148.8 | 145.6 | -1.7 | -166.6 | 0 | 0 | 0 | 0 | 107.9 | G727 | V725-G727 PolarHBondContact O-N 2.8Š| ||
| 726 | P | 36.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 128.5 | 163.8 | -20 | 32.7 | 0 | 0 | 0 | 110.3 | ||||
| 727 | G | 39 | Very low | 34.7 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -106.4 | -174.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V725 | V725-G727 PolarHBondContact O-N 2.8Š| ||
| 728 | L | 36.1 | Very low | 35 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -174.2 | 152.2 | 136.9 | -102.2 | 165.9 | 0 | 0 | 0 | 112.4 | ||||
| 729 | V | 39.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 48.7 | 89.9 | 162.5 | -169.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 730 | G | 39.7 | Very low | 35.6 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | 54.2 | 135.9 | 94.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 731 | N | 32.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | -153.5 | 154.8 | 142.3 | -111.5 | -26.4 | 0 | 0 | 0 | 112.1 | ||||
| 732 | T | 34 | Very low | 36.9 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -22 | 140.4 | 170.8 | -41.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 733 | G | 35.9 | Very low | 37.4 | Very low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | cis | 163 | -173.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 734 | I | 33.3 | Very low | 38.1 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | 43.3 | 115 | 162.3 | 52.7 | 166 | 0 | 0 | 0 | 122.2 | ||||
| 735 | R | 37.2 | Very low | 38.5 | Very low | 242 Ų | 242 | 126.5 Ų | 126.5 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | 74.1 | 146.1 | 135.6 | -154.8 | 170.8 | -169.6 | 178.3 | 2.8 | 117.6 | ||||
| 736 | G | 39.1 | Very low | 39.1 | Very low | 59 Ų | 59 | 125.4 Ų | 125.4 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | cis | -145.3 | -161.7 | 4.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 737 | E | 36.5 | Very low | 39.4 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -68.6 | 178.4 | -169.2 | -68.6 | 105.1 | 143.2 | 0 | 0 | 116.8 | ||||
| 738 | R | 43.8 | Very low | 39.5 | Very low | 200 Ų | 200 | 124.1 Ų | 124.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -121.1 | 108.5 | -161.5 | 156.7 | -176.7 | -86.8 | -157.1 | -1.4 | 111.1 | V320 | V320-R738 WeakPolarHBondContact CA-O 3.48Å; V320-R738 HydrophobicContact CG1-CG 3.59Å | ||
| 739 | G | 39.3 | Very low | 40.1 | Very low | 50 Ų | 50 | 122.5 Ų | 122.5 | 52% | 0.515 | 71% | 0.714 | S | S | . | * | trans | 151.6 | 165.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | V320 D321 | V320-G739 VanDerWaalsContact CB-CA 3.48Å; D321-G739 CarbonylContact O-C 3.07Å; D321-G739 VanDerWaalsContact O-C 3.31Å | ||
| 740 | E | 39.6 | Very low | 40.2 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 51% | 0.505 | 71% | 0.705 | S | S | . | * | cis | -103.9 | 175.8 | -3.3 | -126.3 | -175.1 | -146.2 | 0 | 0 | 116.1 | V320 D321 G322 | V320-E740 HydrophobicContact CB-CG 3.89Å; V320-E740 HydrophobicContact CG2-CG 3.59Å; V320-E740 WeakPolarHBondContact O-CG 3.42Å; D321-E740 VanDerWaalsContact C-CG 3.48Å; D321-E740 WeakPolarHBondContact O-CA 3.34Å; D321-E740 WeakPolarHBondContact O-CB 3.18Å; D321-E740 PolarHBondContact O-N 2.63Å; G322-E740 WeakPolarHBondContact CA-OE1 3.36Å; G322-E740 PolarHBondContact N-OE1 2.96Å | ||
| 741 | K | 44.8 | Very low | 40.4 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | trans | -97.1 | 102.9 | 172.2 | 173.4 | -178.7 | 169.2 | -73 | 0 | 110.7 | D743 | K741-D743 VanDerWaalsContact CE-OD1 3.27Å; K741-D743 WeakPolarHBondContact CE-OD1 3.07Å; K741-D743 IonicContact NZ-OD1 3.74Å; K741-D743 PolarHBondContact NZ-OD1 2.71Å; K741-D743 IonicContact NZ-OD2 2.74Å; K741-D743 PolarHBondContact NZ-OD2 2.87Å | ||
| 742 | G | 43.7 | Very low | 40.8 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 76% | 0.763 | 67% | 0.673 | S | S | * | * | trans | -94.6 | 131.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R744 | G742-R744 PolarHBondContact O-N 2.83Š| ||
| 743 | D | 41.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | trans | -85.7 | 106.7 | -169.9 | -78.9 | -63.2 | 0 | 0 | 0 | 115.7 | K741 | K741-D743 VanDerWaalsContact CE-OD1 3.27Å; K741-D743 WeakPolarHBondContact CE-OD1 3.07Å; K741-D743 IonicContact NZ-OD1 3.74Å; K741-D743 PolarHBondContact NZ-OD1 2.71Å; K741-D743 IonicContact NZ-OD2 2.74Å; K741-D743 PolarHBondContact NZ-OD2 2.87Å | ||
| 744 | R | 46.3 | Very low | 41.8 | Very low | 234 Ų | 234 | 119.7 Ų | 119.7 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | 57.3 | 113.6 | 133.4 | -166 | 178.8 | -171.9 | 173.2 | 3.4 | 120.9 | G742 | G742-R744 PolarHBondContact O-N 2.83Š| ||
| 745 | G | 38.8 | Very low | 42.6 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | trans | -124.3 | 161.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 746 | P | 43.5 | Very low | 42.8 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -128.9 | 151.8 | -142.9 | 40.2 | -26 | 0 | 0 | 0 | 120.3 | ||||
| 747 | T | 43.3 | Very low | 42.7 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | 79.4 | 127.2 | 148.2 | -52.1 | 0 | 0 | 0 | 0 | 120.4 | G709 | G709-T747 WeakPolarHBondContact O-CG2 3.48Š| ||
| 748 | G | 41.7 | Very low | 43 | Very low | 44 Ų | 44 | 113.2 Ų | 113.2 | 45% | 0.454 | 68% | 0.676 | S | S | . | * | trans | -166.4 | -175.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | D710 | D710-G748 PolarHBondContact N-O 3Š| ||
| 749 | P | 49.7 | Very low | 43.4 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -122.3 | 178.3 | -164.5 | 20.5 | 4 | 0 | 0 | 0 | 115.8 | D710 | D710-P749 HydrophobicContact CB-CB 4.24Š| ||
| 750 | R | 41.3 | Very low | 43.3 | Very low | 155 Ų | 155 | 110.9 Ų | 110.9 | 59% | 0.585 | 69% | 0.691 | S | S | * | * | cis | -172 | 151 | -17.8 | 169.4 | 173.6 | -175.7 | 74.2 | 20.1 | 112 | D710 R711 | D710-R750 HydrophobicContact CB-CB 4.3Å; D710-R750 VanDerWaalsContact CG-NH1 3.26Å; D710-R750 IonicContact OD1-NH1 2.74Å; D710-R750 PolarHBondContact OD1-NH1 2.81Å; D710-R750 VanDerWaalsContact OD1-NH1 3.09Å; D710-R750 VanDerWaalsContact OD2-CD 3.29Å; D710-R750 WeakPolarHBondContact OD2-CD 3.25Å; D710-R750 IonicContact OD2-CZ 3.84Å; D710-R750 IonicContact OD2-NE 2.74Å; D710-R750 IonicContact OD2-NH1 2.72Å; D710-R750 PolarHBondContact OD2-NH1 3.16Å; R711-R750 WeakPolarHBondContact O-CA 2.96Å | ||
| 751 | G | 41.9 | Very low | 43.2 | Very low | 29 Ų | 29 | 114.5 Ų | 114.5 | 30% | 0.299 | 71% | 0.708 | S | S | . | * | trans | -98.3 | -178.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 752 | E | 41.5 | Very low | 42.8 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | cis | -157.2 | 176 | 35.4 | -90.8 | -176.1 | 159.4 | 0 | 0 | 115.3 | R711 | R711-E752 VanDerWaalsContact CZ-CD 3.45Å; R711-E752 IonicContact CZ-OE1 2.72Å; R711-E752 IonicContact CZ-OE2 3.13Å; R711-E752 VanDerWaalsContact CZ-OE2 3.27Å; R711-E752 IonicContact NE-OE1 3.17Å; R711-E752 PolarHBondContact NE-OE1 3.1Å; R711-E752 IonicContact NE-OE2 2.68Å; R711-E752 PolarHBondContact NE-OE2 2.95Å; R711-E752 IonicContact NH2-OE1 3.73Å; R711-E752 PolarHBondContact NH2-OE1 3.25Å; R711-E752 IonicContact NH2-OE2 2.67Å; R711-E752 PolarHBondContact NH2-OE2 2.93Å | ||
| 753 | P | 49.5 | Very low | 42.8 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | -131.2 | -177.5 | -152.6 | 45.7 | -33.4 | 0 | 0 | 0 | 120.6 | ||||
| 754 | G | 42.4 | Very low | 42.7 | Very low | 69 Ų | 69 | 117.4 Ų | 117.4 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 126.8 | 171 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 755 | P | 49.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 111.7 Ų | 111.7 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | cis | -147.9 | -175.1 | -25.7 | 43.2 | -24.2 | 0 | 0 | 0 | 117.2 | ||||
| 756 | I | 41.5 | Very low | 43.1 | Very low | 173 Ų | 173 | 110.5 Ų | 110.5 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | trans | 78.5 | 142.3 | 164.1 | -57.7 | 167 | 0 | 0 | 0 | 117 | ||||
| 757 | G | 38.4 | Very low | 42.9 | Very low | 66 Ų | 66 | 111.8 Ų | 111.8 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | cis | -165.3 | -165.4 | 7.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 758 | V | 42 | Very low | 42.8 | Very low | 141 Ų | 141 | 114.7 Ų | 114.7 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | -137.3 | -173 | -160.1 | -56.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 759 | P | 51 | Low | 42.7 | Very low | 125 Ų | 125 | 115 Ų | 115 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | cis | -140.4 | 176 | -12.5 | 39.2 | -20 | 0 | 0 | 0 | 118.2 | ||||
| 760 | G | 39 | Very low | 41.8 | Very low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | 154.2 | 161.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 761 | Q | 35.7 | Very low | 42.2 | Very low | 185 Ų | 185 | 116.1 Ų | 116.1 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | cis | -152.5 | -90.4 | -20.1 | -155.8 | -147.4 | 116.3 | 0 | 0 | 116.3 | ||||
| 762 | R | 37.6 | Very low | 42 | Very low | 227 Ų | 227 | 118 Ų | 118 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -165.1 | 146.7 | -165.2 | -178.4 | -168 | -65.2 | -171.3 | -0.3 | 111.3 | ||||
| 763 | G | 43 | Very low | 41.8 | Very low | 71 Ų | 71 | 118.2 Ų | 118.2 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | cis | 152 | 142.7 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 764 | A | 39 | Very low | 41.6 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -166.6 | 133.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 765 | D | 43.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 121 Ų | 121 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | trans | -78.4 | 171.9 | 166 | 29.2 | -74.1 | 0 | 0 | 0 | 112.3 | R1107 | D765-R1107 VanDerWaalsContact C-CZ 3.45Å; D765-R1107 WeakPolarHBondContact O-CD 3.44Å; D765-R1107 PolarHBondContact O-NE 2.87Å; D765-R1107 VanDerWaalsContact O-NE 3.14Å; D765-R1107 PolarHBondContact O-NH1 3.48Å; D765-R1107 IonicContact OD2-CZ 2.71Å; D765-R1107 IonicContact OD2-NH1 2.71Å; D765-R1107 PolarHBondContact OD2-NH1 3.17Å; D765-R1107 IonicContact OD2-NH2 3.67Å; D765-R1107 PolarHBondContact OD2-NH2 2.83Å | ||
| 766 | G | 51.6 | Low | 40.9 | Very low | 47 Ų | 47 | 127.3 Ų | 127.3 | 49% | 0.485 | 77% | 0.772 | S | S | . | * | cis | 141.6 | 156 | 2.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 767 | P | 38.7 | Very low | 41.2 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -128.7 | 166.2 | 162.6 | 37.8 | -24.5 | 0 | 0 | 0 | 115.6 | ||||
| 768 | M | 40.7 | Very low | 41.2 | Very low | 186 Ų | 186 | 122 Ų | 122 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -132 | 157.1 | -171.4 | 165.4 | -177 | 62.7 | 0 | 0 | 109 | ||||
| 769 | G | 39.1 | Very low | 40.8 | Very low | 51 Ų | 51 | 119 Ų | 119 | 53% | 0.526 | 72% | 0.723 | S | S | . | * | cis | -145.2 | -138.1 | 9.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 770 | H | 31.2 | Very low | 40.1 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 83% | 0.833 | 72% | 0.724 | S | S | * | * | cis | -138.9 | 147.6 | 28.7 | -44.2 | -88.1 | 0 | 0 | 0 | 113 | ||||
| 771 | P | 50.8 | Low | 39.8 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 154.4 | 175 | -4.5 | 24.6 | 0 | 0 | 0 | 114.8 | ||
| 772 | G | 36.2 | Very low | 39.8 | Very low | 69 Ų | 69 | 120.4 Ų | 120.4 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 168 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 773 | P | 37.7 | Very low | 39.9 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 162.2 | -159.7 | 32.1 | -36.8 | 0 | 0 | 0 | 116.5 | ||
| 774 | Q | 45.4 | Very low | 39.5 | Very low | 179 Ų | 179 | 117.9 Ų | 117.9 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | trans | -104.8 | 140.4 | -172.4 | 175.5 | -178.5 | -5.1 | 0 | 0 | 113.2 | ||||
| 775 | G | 42.1 | Very low | 39.3 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | -81.7 | 160.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 776 | R | 34.7 | Very low | 39.2 | Very low | 250 Ų | 250 | 127.8 Ų | 127.8 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | trans | -87.8 | 130.7 | -171.7 | -64.6 | -179.9 | 177.3 | 179.7 | -0.6 | 114.1 | ||||
| 777 | P | 47.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | trans | -75.6 | 178.1 | 169.8 | -24.7 | 39.4 | 0 | 0 | 0 | 116.2 | P800 | P777-P800 CarbonylContact C-O 3.59Å; P777-P800 WeakPolarHBondContact CB-O 3.22Å; P777-P800 WeakPolarHBondContact O-CG 3.08Å | ||
| 778 | G | 39 | Very low | 38.3 | Very low | 39 Ų | 39 | 133.7 Ų | 133.7 | 40% | 0.402 | 75% | 0.75 | S | S | . | * | trans | -148.5 | 146.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P800 Q801 G802 | G778-P800 CarbonylContact C-O 3.54Å; G778-P800 PolarHBondContact N-O 2.88Å; G778-P800 CarbonylContact O-C 3.16Å; G778-P800 VanDerWaalsContact O-C 3.28Å; G778-Q801 CarbonylContact O-C 3.55Å; G778-Q801 WeakPolarHBondContact O-CA 3.37Å; G778-Q801 PolarHBondContact O-N 2.84Å; G778-G802 WeakPolarHBondContact O-CA 3.42Å; G778-G802 PolarHBondContact O-N 2.88Å | ||
| 779 | N | 34.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 42% | 0.417 | 74% | 0.742 | S | S | . | * | trans | -112.5 | 145.1 | -158.3 | -141.5 | -21.6 | 0 | 0 | 0 | 117.2 | P800 Q801 | N779-P800 HydrophobicContact CB-CB 3.4Å; N779-P800 VanDerWaalsContact N-CB 3.28Å; N779-Q801 CarbonylContact C-O 3.3Å; N779-Q801 WeakPolarHBondContact CA-O 3.43Å; N779-Q801 WeakPolarHBondContact OD1-CB 3.38Å; N779-Q801 PolarHBondContact OD1-N 2.89Å; N779-Q801 VanDerWaalsContact OD1-N 3.1Å | ||
| 780 | K | 34.9 | Very low | 38.2 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -149.4 | 121.4 | 132.6 | -70.1 | -165.2 | 179.4 | 170.3 | 0 | 114.9 | Q801 | K780-Q801 PolarHBondContact N-O 3.42Š| ||
| 781 | G | 33.5 | Very low | 38.2 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | 94.2 | 128.4 | 129 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 782 | I | 35.9 | Very low | 37.4 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -136.2 | 146.8 | 164.5 | -62.6 | -179.2 | 0 | 0 | 0 | 109.4 | ||||
| 783 | L | 38 | Very low | 37.4 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | trans | -98.4 | 120.7 | -177.2 | -97.4 | 140.5 | 0 | 0 | 0 | 114 | ||||
| 784 | G | 34.9 | Very low | 37.2 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 25.4 | 123.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 785 | I | 35.6 | Very low | 37 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 94% | 0.938 | 75% | 0.752 | S | S | * | * | trans | -130.5 | 163.3 | 142.7 | -32.9 | 178.6 | 0 | 0 | 0 | 107.9 | ||||
| 786 | R | 40.7 | Very low | 37.2 | Very low | 237 Ų | 237 | 133.7 Ų | 133.7 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | trans | -129.2 | 121.6 | -155.5 | 179.6 | -174.8 | -177.2 | 176.5 | 2.6 | 115.3 | ||||
| 787 | G | 36.2 | Very low | 37.2 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | 82.8 | 146.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 788 | Y | 35.6 | Very low | 37 | Very low | 242 Ų | 242 | 134 Ų | 134 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | cis | -135.6 | -177.1 | 6.4 | -83.9 | -92.9 | 0 | 0 | 0 | 112 | ||||
| 789 | Q | 42.5 | Very low | 37.4 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -109.7 | 150.2 | -151.7 | 172.7 | -176.6 | -9.3 | 0 | 0 | 116 | ||||
| 790 | G | 36 | Very low | 37.5 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | 126.9 | 131.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 791 | D | 31 | Very low | 38 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -153.7 | 152.9 | -13.9 | -96.9 | -39.1 | 0 | 0 | 0 | 110.7 | ||||
| 792 | K | 33.4 | Very low | 38.5 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | 52.5 | 78.4 | 163 | -157.9 | 174.7 | -173.9 | 175.5 | 0 | 118.9 | ||||
| 793 | G | 35.3 | Very low | 38.7 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -110.8 | 141.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 794 | T | 34.1 | Very low | 39.5 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -70 | 144.6 | 179.6 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | G796 | T794-G796 PolarHBondContact O-N 2.86Š| ||
| 795 | P | 41.6 | Very low | 40 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 138.5 | 176.7 | -23 | 33.9 | 0 | 0 | 0 | 111.9 | ||||
| 796 | G | 46.3 | Very low | 40.3 | Very low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -121.4 | 126 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T794 | T794-G796 PolarHBondContact O-N 2.86Š| ||
| 797 | D | 33.6 | Very low | 41 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -71 | 129.4 | -168.9 | -58 | -71.1 | 0 | 0 | 0 | 112.9 | ||||
| 798 | Q | 44.7 | Very low | 41.3 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -101.2 | 113.3 | 175.6 | -169.5 | 168.8 | -3.7 | 0 | 0 | 112.5 | ||||
| 799 | G | 48.2 | Very low | 41.6 | Very low | 48 Ų | 48 | 116.5 Ų | 116.5 | 50% | 0.495 | 73% | 0.729 | S | S | . | * | trans | -68.9 | -175.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 800 | P | 36.5 | Very low | 42 | Very low | 56 Ų | 56 | 114.4 Ų | 114.4 | 36% | 0.364 | 73% | 0.73 | S | S | . | * | -133.7 | 125.7 | -108.8 | 27.4 | -3.3 | 0 | 0 | 0 | 117.6 | P777 G778 N779 | P777-P800 CarbonylContact C-O 3.59Å; P777-P800 WeakPolarHBondContact CB-O 3.22Å; P777-P800 WeakPolarHBondContact O-CG 3.08Å; G778-P800 CarbonylContact C-O 3.54Å; G778-P800 PolarHBondContact N-O 2.88Å; G778-P800 CarbonylContact O-C 3.16Å; G778-P800 VanDerWaalsContact O-C 3.28Å; N779-P800 HydrophobicContact CB-CB 3.4Å; N779-P800 VanDerWaalsContact N-CB 3.28Å | |||
| 801 | Q | 44.7 | Very low | 42.4 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.584 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 128.8 | -174.5 | 176.6 | -168.5 | -18.5 | 0 | 0 | 118.7 | G778 N779 K780 | G778-Q801 CarbonylContact O-C 3.55Å; G778-Q801 WeakPolarHBondContact O-CA 3.37Å; G778-Q801 PolarHBondContact O-N 2.84Å; N779-Q801 CarbonylContact C-O 3.3Å; N779-Q801 WeakPolarHBondContact CA-O 3.43Å; N779-Q801 WeakPolarHBondContact OD1-CB 3.38Å; N779-Q801 PolarHBondContact OD1-N 2.89Å; N779-Q801 VanDerWaalsContact OD1-N 3.1Å; K780-Q801 PolarHBondContact N-O 3.42Å |
| 802 | G | 45 | Very low | 42.8 | Very low | 54 Ų | 54 | 116.7 Ų | 116.7 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 170.2 | -159.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | G778 | G778-G802 WeakPolarHBondContact O-CA 3.42Å; G778-G802 PolarHBondContact O-N 2.88Å |
| 803 | I | 38.3 | Very low | 43.6 | Very low | 163 Ų | 163 | 113.1 Ų | 113.1 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 128.1 | -173.1 | -48.8 | 169.9 | 0 | 0 | 0 | 111.7 | ||
| 804 | P | 54.6 | Low | 44.1 | Very low | 115 Ų | 115 | 112.6 Ų | 112.6 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.5 | 165.8 | -16 | 31.3 | 0 | 0 | 0 | 111.5 | ||
| 805 | G | 47.1 | Very low | 44.3 | Very low | 70 Ų | 70 | 112.5 Ų | 112.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 148.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 806 | D | 41.6 | Very low | 44.9 | Very low | 155 Ų | 155 | 113 Ų | 113 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.8 | -172.6 | -64.1 | -70.1 | 0 | 0 | 0 | 113.7 | G808 | D806-G808 PolarHBondContact O-N 3.16Š|
| 807 | P | 55.2 | Low | 44.8 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.9 | 167.9 | -22.6 | 34 | 0 | 0 | 0 | 111 | I809 | P807-I809 PolarHBondContact O-N 2.85Š|
| 808 | G | 42.1 | Very low | 44.8 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 128.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D806 P810 | D806-G808 PolarHBondContact O-N 3.16Å; G808-P810 VanDerWaalsContact O-CD 3.3Å; G808-P810 WeakPolarHBondContact O-CD 3.3Å |
| 809 | I | 41.8 | Very low | 44.7 | Very low | 156 Ų | 156 | 108.8 Ų | 108.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 116.9 | -171.2 | -54 | 173 | 0 | 0 | 0 | 110.5 | P807 G811 | P807-I809 PolarHBondContact O-N 2.85Å; I809-G811 PolarHBondContact O-N 2.96Å |
| 810 | P | 50.7 | Low | 44.3 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 121.6 | 172.2 | -22.6 | 34.5 | 0 | 0 | 0 | 109.7 | G808 Q812 | G808-P810 VanDerWaalsContact O-CD 3.3Å; G808-P810 WeakPolarHBondContact O-CD 3.3Å; P810-Q812 PolarHBondContact O-N 3.32Å |
| 811 | G | 44.6 | Very low | 44 | Very low | 69 Ų | 69 | 115.7 Ų | 115.7 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 131.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I809 P813 | I809-G811 PolarHBondContact O-N 2.96Å; G811-P813 WeakPolarHBondContact O-CD 3.09Å |
| 812 | Q | 40.6 | Very low | 43.7 | Very low | 187 Ų | 187 | 118 Ų | 118 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 123 | -177.6 | -68.3 | -177.3 | -3.1 | 0 | 0 | 110.8 | P810 G814 | P810-Q812 PolarHBondContact O-N 3.32Å; Q812-G814 PolarHBondContact O-N 3.18Å |
| 813 | P | 49.5 | Very low | 43.4 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 123.5 | 172.7 | -23.6 | 34.8 | 0 | 0 | 0 | 110.4 | G811 | G811-P813 WeakPolarHBondContact O-CD 3.09Š|
| 814 | G | 44.7 | Very low | 43.3 | Very low | 60 Ų | 60 | 112.5 Ų | 112.5 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 149.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q812 P816 | Q812-G814 PolarHBondContact O-N 3.18Å; G814-P816 WeakPolarHBondContact O-CD 2.99Å |
| 815 | P | 39.6 | Very low | 42.5 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.9 | -174.5 | 24.7 | -34.2 | 0 | 0 | 0 | 112.1 | G817 | P815-G817 PolarHBondContact O-N 3.43Š|
| 816 | P | 53.1 | Low | 42.1 | Very low | 135 Ų | 135 | 112.6 Ų | 112.6 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.2 | 175.3 | -24.4 | 35.2 | 0 | 0 | 0 | 112.5 | G814 | G814-P816 WeakPolarHBondContact O-CD 2.99Š|
| 817 | G | 44.3 | Very low | 41.9 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 134.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P815 | P815-G817 PolarHBondContact O-N 3.43Š|
| 818 | S | 34.6 | Very low | 41.1 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 50.9 | 106.4 | 146.6 | 61.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 819 | V | 42.2 | Very low | 40.9 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | 24.2 | 129.1 | 131.3 | -171 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 820 | G | 40.1 | Very low | 41.2 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | trans | -166 | 145.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 821 | M | 30.3 | Very low | 40.9 | Very low | 173 Ų | 173 | 120.9 Ų | 120.9 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -113.7 | 129.6 | -169.7 | -78 | 177.5 | 60.5 | 0 | 0 | 116 | ||||
| 822 | K | 37.8 | Very low | 40.6 | Very low | 173 Ų | 173 | 120 Ų | 120 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 63.3 | 118.9 | 135 | -167.4 | 176.6 | -176.5 | 174.6 | 0 | 121.6 | ||||
| 823 | G | 38.2 | Very low | 41 | Very low | 43 Ų | 43 | 116.2 Ų | 116.2 | 44% | 0.443 | 73% | 0.729 | S | S | . | * | trans | -140.8 | 154.7 | 154 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 824 | V | 36.7 | Very low | 40.6 | Very low | 59 Ų | 59 | 119.6 Ų | 119.6 | 36% | 0.358 | 73% | 0.726 | S | S | . | * | trans | -155.9 | 141.6 | -163.5 | -88.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 825 | K | 38.7 | Very low | 40.4 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 48% | 0.483 | 72% | 0.721 | S | S | . | * | trans | 103.7 | 133.1 | 142.1 | -169 | 172.4 | -178.8 | 164.7 | 0 | 120.1 | E827 | K825-E827 WeakPolarHBondContact CE-OE1 3.32Å; K825-E827 WeakPolarHBondContact CE-OE2 3.46Å; K825-E827 IonicContact NZ-OE1 2.64Å; K825-E827 PolarHBondContact NZ-OE1 2.9Å; K825-E827 IonicContact NZ-OE2 3.48Å; K825-E827 PolarHBondContact NZ-OE2 2.8Å | ||
| 826 | G | 38.4 | Very low | 40.1 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | trans | -162.3 | 139.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 827 | E | 37.5 | Very low | 39.5 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -131.4 | 156.6 | -169.6 | -77.3 | 170.1 | 161.3 | 0 | 0 | 113.5 | K825 | K825-E827 WeakPolarHBondContact CE-OE1 3.32Å; K825-E827 WeakPolarHBondContact CE-OE2 3.46Å; K825-E827 IonicContact NZ-OE1 2.64Å; K825-E827 PolarHBondContact NZ-OE1 2.9Å; K825-E827 IonicContact NZ-OE2 3.48Å; K825-E827 PolarHBondContact NZ-OE2 2.8Å | ||
| 828 | M | 36.9 | Very low | 39.2 | Very low | 192 Ų | 192 | 119.7 Ų | 119.7 | 95% | 0.946 | 72% | 0.721 | S | S | * | * | trans | -159.9 | 147.2 | 149.3 | -165.8 | 152.9 | 56.5 | 0 | 0 | 113 | ||||
| 829 | G | 39.4 | Very low | 39.1 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | trans | -149.9 | -147.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 830 | P | 47.1 | Very low | 38.9 | Very low | 132 Ų | 132 | 124 Ų | 124 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | cis | -135.6 | -172.9 | -24.5 | 42.7 | -26.8 | 0 | 0 | 0 | 113 | ||||
| 831 | R | 45.2 | Very low | 38.7 | Very low | 251 Ų | 251 | 123.5 Ų | 123.5 | 95% | 0.947 | 72% | 0.722 | S | S | * | * | trans | -173.3 | 159.1 | 145.5 | -161.7 | 158.7 | 179.4 | 166 | 1 | 113.4 | ||||
| 832 | G | 37.1 | Very low | 39.3 | Very low | 51 Ų | 51 | 123.1 Ų | 123.1 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | trans | -141 | -141.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 833 | P | 50.3 | Low | 39.4 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | -139 | 175.1 | -102.1 | 42.2 | -26.8 | 0 | 0 | 0 | 118.9 | F621 | F621-P833 HydrophobicContact CD2-CG 4.38Å; F621-P833 HydrophobicContact CE2-CG 4.04Å; F621-P833 HydrophobicContact CZ-CG 4.23Å | |||
| 834 | R | 41.5 | Very low | 39.6 | Very low | 199 Ų | 199 | 125.8 Ų | 125.8 | 75% | 0.751 | 74% | 0.74 | S | S | * | * | trans | -177.2 | 159.5 | 156.5 | -179.7 | 172.8 | 169.7 | 88.4 | 18.2 | 110.1 | E836 | R834-E836 IonicContact CZ-OE2 3.21Å; R834-E836 IonicContact NH1-OE2 2.83Å; R834-E836 PolarHBondContact NH1-OE2 2.86Å; R834-E836 IonicContact NH2-OE2 2.72Å; R834-E836 PolarHBondContact NH2-OE2 3.05Å | ||
| 835 | G | 39.7 | Very low | 39.9 | Very low | 51 Ų | 51 | 129.4 Ų | 129.4 | 53% | 0.526 | 76% | 0.761 | S | S | . | * | cis | 140.3 | 129.9 | -16.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 836 | E | 33.9 | Very low | 40.1 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 85.1 | 126.9 | 154.9 | -51.6 | -179.1 | 132 | 0 | 0 | 125.3 | R834 | R834-E836 IonicContact CZ-OE2 3.21Å; R834-E836 IonicContact NH1-OE2 2.83Å; R834-E836 PolarHBondContact NH1-OE2 2.86Å; R834-E836 IonicContact NH2-OE2 2.72Å; R834-E836 PolarHBondContact NH2-OE2 3.05Å | ||
| 837 | A | 39.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | 78.8 | 138.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 838 | G | 38.1 | Very low | 40.8 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 167.1 | 137.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 839 | N | 32.9 | Very low | 41.4 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -133 | 172.9 | -165.7 | -85.5 | -32.8 | 0 | 0 | 0 | 115.5 | ||||
| 840 | M | 38.3 | Very low | 41.8 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | 101.9 | 119 | 156.3 | -161.3 | 162.7 | 58.7 | 0 | 0 | 115.5 | ||||
| 841 | G | 35.8 | Very low | 41.5 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | 104 | 146.5 | 79.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 842 | I | 43.1 | Very low | 41.2 | Very low | 165 Ų | 165 | 125.3 Ų | 125.3 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | cis | -157.9 | 142 | 21.6 | 20.4 | 170.8 | 0 | 0 | 0 | 111.6 | ||||
| 843 | K | 40.2 | Very low | 41.6 | Very low | 204 Ų | 204 | 125.9 Ų | 125.9 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | 56.6 | 129.1 | 126.9 | -159 | 177.3 | -177.4 | -177.9 | 0 | 121.2 | |||||
| 844 | G | 41.9 | Very low | 41.4 | Very low | 67 Ų | 67 | 130 Ų | 130 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -113.4 | -160.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 845 | V | 42.8 | Very low | 41.3 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -134.3 | 113.4 | -176.4 | -149.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 846 | Q | 43.6 | Very low | 41.1 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | 60.3 | 118.3 | 69.4 | -161.9 | 177.3 | 32.9 | 0 | 0 | 113 | |||||
| 847 | G | 39.5 | Very low | 41.3 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | cis | 177.2 | -122.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 848 | P | 51 | Low | 41.2 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -90.6 | 161.4 | -143 | 42.3 | -41.7 | 0 | 0 | 0 | 112.7 | ||||
| 849 | P | 49.4 | Very low | 41.1 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -131.6 | 138.1 | 61.7 | 22.6 | -0.8 | 0 | 0 | 0 | 115.7 | |||||
| 850 | G | 46.7 | Very low | 41.1 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -83.7 | 167.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 851 | P | 41.1 | Very low | 41.2 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -127.1 | 158.8 | 136.6 | 37.1 | -30.7 | 0 | 0 | 0 | 112.7 | ||||
| 852 | K | 39.8 | Very low | 41.4 | Very low | 211 Ų | 211 | 128.9 Ų | 128.9 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | 12.2 | 120 | 151.5 | -60.4 | 177.3 | 177 | -178.8 | 0 | 116.9 | ||||
| 853 | G | 45 | Very low | 41.2 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | 124.6 | 147.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 854 | H | 46.5 | Very low | 41.5 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -55.9 | 131.8 | 168.6 | -33.4 | -64.8 | 0 | 0 | 0 | 109.5 | ||||
| 855 | P | 38.9 | Very low | 41.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -99.3 | -179.9 | 96.5 | -18.7 | 35.7 | 0 | 0 | 0 | 111.9 | |||||
| 856 | G | 35.3 | Very low | 41 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 76.4 | 119.3 | 46 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 857 | L | 39.3 | Very low | 41 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | S | Bend | cis | -127.5 | 152.5 | 29.4 | -58 | 161.7 | 0 | 0 | 0 | 110.2 | ||
| 858 | S | 35.4 | Very low | 41 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -153.3 | 126.5 | -7.2 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 859 | G | 35.8 | Very low | 40.5 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -93.2 | 170.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 860 | Q | 33.4 | Very low | 40.1 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 70.9 | 140.8 | -165.8 | -46.7 | 173.5 | 9.4 | 0 | 0 | 111.3 | ||||
| 861 | Q | 39.9 | Very low | 39.7 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | cis | -134.2 | 147.1 | 12.6 | -179.7 | -179.9 | -4.2 | 0 | 0 | 109.4 | ||||
| 862 | G | 41.5 | Very low | 39.6 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | cis | 139.7 | 135.8 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 863 | D | 38.4 | Very low | 40 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -58.1 | 161.1 | -178.7 | -85.7 | -65 | 0 | 0 | 0 | 114.3 | ||
| 864 | R | 45.8 | Very low | 39.7 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | 77.8 | 85.3 | 159.1 | -163.5 | -175.1 | -171.7 | 138.2 | 1.2 | 117.2 | ||||
| 865 | G | 33.4 | Very low | 39.5 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -97 | 94 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 866 | Q | 41 | Very low | 39.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -69.1 | 139 | 148.4 | -70.3 | 174.4 | -94.9 | 0 | 0 | 106.4 | G868 | Q866-G868 PolarHBondContact O-N 2.83Š| ||
| 867 | P | 43.9 | Very low | 39.8 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 93% | 0.929 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -55.9 | 121.7 | -166.7 | -28.4 | 35.9 | 0 | 0 | 0 | 113.5 | ||
| 868 | G | 40 | Very low | 39.9 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -116.8 | -159.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q866 | Q866-G868 PolarHBondContact O-N 2.83Š| ||
| 869 | V | 39.7 | Very low | 40.3 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -151.4 | 113.8 | 177.4 | -93.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 870 | Q | 41.1 | Very low | 40.4 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | trans | 43.3 | 128 | 133.1 | -167.4 | 169.9 | -17.2 | 0 | 0 | 123.7 | ||||
| 871 | G | 39.3 | Very low | 40.5 | Very low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | 117.3 | 128.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 872 | D | 38.7 | Very low | 40.9 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | cis | -145.3 | 140 | 5.4 | -73.2 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 873 | Q | 46.9 | Very low | 40.9 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 25.8 | 124.2 | 142.9 | -169.8 | 172.5 | -17.5 | 0 | 0 | 125.4 | ||||
| 874 | G | 39.7 | Very low | 40.9 | Very low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 94.1 | 144.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 875 | S | 42.7 | Very low | 41.2 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | cis | -148.9 | 173.1 | 8.2 | 65 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 876 | E | 43.1 | Very low | 42.1 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -63.9 | 169.6 | 170.1 | -58.3 | 123.2 | 116.5 | 0 | 0 | 113.2 | ||||
| 877 | G | 37.5 | Very low | 42.6 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | cis | 133.1 | 146.4 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 878 | L | 41.2 | Very low | 43.5 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -167.3 | 164.8 | 165.8 | -110.2 | 175.7 | 0 | 0 | 0 | 112.8 | ||||
| 879 | I | 42.7 | Very low | 43.9 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -142.2 | 150.7 | -160.5 | -74.1 | 167.7 | 0 | 0 | 0 | 112.7 | ||||
| 880 | G | 37.8 | Very low | 44.1 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | 126.3 | 142.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 881 | E | 36.5 | Very low | 44.1 | Very low | 196 Ų | 196 | 128 Ų | 128 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | cis | -136.4 | 164.1 | 0.4 | -69.4 | -162.5 | 118.2 | 0 | 0 | 112.5 | ||||
| 882 | P | 48.5 | Very low | 44.5 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -125.2 | 164.8 | -168.3 | 40.6 | -26.1 | 0 | 0 | 0 | 117.2 | ||||
| 883 | G | 40.7 | Very low | 44.7 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 116 | 163.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 884 | P | 38.6 | Very low | 45.4 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | cis | -99.3 | 174.3 | 5.5 | 38.8 | -34.7 | 0 | 0 | 0 | 114.7 | ||||
| 885 | Q | 53.1 | Low | 46 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 133.6 | -173.9 | 168.7 | 178.3 | 7.9 | 0 | 0 | 112.2 | ||
| 886 | G | 51.5 | Low | 46.6 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 145.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 887 | P | 52.3 | Low | 47.5 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 138.1 | -175.1 | 25.2 | -34.1 | 0 | 0 | 0 | 111.4 | G889 | P887-G889 PolarHBondContact O-N 2.85Š|
| 888 | P | 61.2 | Low | 48.3 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.6 | 170 | -21.6 | 32.9 | 0 | 0 | 0 | 110.4 | E890 | P888-E890 PolarHBondContact O-N 3.27Š|
| 889 | G | 48.8 | Very low | 49.2 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | P887 N891 | P887-G889 PolarHBondContact O-N 2.85Å; G889-N891 PolarHBondContact O-N 2.87Å |
| 890 | E | 43.5 | Very low | 49.6 | Very low | 199 Ų | 199 | 118.8 Ų | 118.8 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 126.8 | 173.4 | -75.2 | -161.7 | 106.5 | 0 | 0 | 109.6 | P888 G892 | P888-E890 PolarHBondContact O-N 3.27Å; E890-G892 PolarHBondContact O-N 2.02Å |
| 891 | N | 42.2 | Very low | 50 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.1 | 175.9 | -76.3 | -31.2 | 0 | 0 | 0 | 109.3 | G889 R893 | G889-N891 PolarHBondContact O-N 2.87Å; N891-R893 PolarHBondContact O-N 3.21Å |
| 892 | G | 47.1 | Very low | 50.4 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -52.8 | 113.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | E890 P894 | E890-G892 PolarHBondContact O-N 2.02Å; G892-P894 WeakPolarHBondContact O-CD 3.29Å | ||
| 893 | R | 44.3 | Very low | 50.3 | Low | 233 Ų | 233 | 119.6 Ų | 119.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125.5 | -175.2 | -68.6 | -176.2 | 179.8 | -170.9 | 0.5 | 108.8 | N891 G895 | N891-R893 PolarHBondContact O-N 3.21Å; R893-G895 PolarHBondContact O-N 3.4Å |
| 894 | P | 60.8 | Low | 50.6 | Low | 123 Ų | 123 | 119 Ų | 119 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 131.9 | 172 | -26.9 | 35.3 | 0 | 0 | 0 | 109.7 | G892 | G892-P894 WeakPolarHBondContact O-CD 3.29Š|
| 895 | G | 52.5 | Low | 51.3 | Low | 60 Ų | 60 | 118.8 Ų | 118.8 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R893 P897 | R893-G895 PolarHBondContact O-N 3.4Å; G895-P897 WeakPolarHBondContact O-CD 3.33Å |
| 896 | P | 54.9 | Low | 51 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.6 | -179.1 | 24 | -33.2 | 0 | 0 | 0 | 109.4 | G898 | P896-G898 PolarHBondContact O-N 3.41Š|
| 897 | P | 61.9 | Low | 50.4 | Low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.9 | 177.5 | -26.4 | 35.2 | 0 | 0 | 0 | 110.7 | G895 | G895-P897 WeakPolarHBondContact O-CD 3.33Š|
| 898 | G | 54.9 | Low | 50 | Low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 130.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P896 A900 | P896-G898 PolarHBondContact O-N 3.41Å; G898-A900 PolarHBondContact O-N 3.1Å |
| 899 | P | 59.6 | Low | 49.3 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.1 | -177.5 | 24.8 | -33.4 | 0 | 0 | 0 | 110.2 | G901 | P899-G901 PolarHBondContact O-N 3.16Š|
| 900 | A | 50.5 | Low | 49 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 123.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G898 Q902 | G898-A900 PolarHBondContact O-N 3.1Å; A900-Q902 PolarHBondContact O-N 3.4Å |
| 901 | G | 45.9 | Very low | 48.6 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P899 | P899-G901 PolarHBondContact O-N 3.16Š|
| 902 | Q | 45.3 | Very low | 49 | Very low | 194 Ų | 194 | 122 Ų | 122 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 128.5 | 169.2 | -66.4 | -168.9 | 14.2 | 0 | 0 | 109.9 | A900 G904 | A900-Q902 PolarHBondContact O-N 3.4Å; Q902-G904 PolarHBondContact O-N 3.04Å |
| 903 | T | 46.7 | Very low | 48.5 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.6 | -179 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 904 | G | 48.1 | Very low | 48.1 | Very low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 151.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q902 K906 | Q902-G904 PolarHBondContact O-N 3.04Å; G904-K906 PolarHBondContact O-N 3.24Å |
| 905 | P | 52.3 | Low | 47.4 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -76.8 | 104.6 | 171.6 | 31.1 | -33 | 0 | 0 | 0 | 111.6 | ||||
| 906 | K | 46.4 | Very low | 46.8 | Very low | 203 Ų | 203 | 123.4 Ų | 123.4 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -54.4 | 137.8 | 149.3 | 169.2 | -168.2 | 176.1 | -172.9 | 0 | 108.9 | G904 | G904-K906 PolarHBondContact O-N 3.24Š| ||
| 907 | G | 39.3 | Very low | 46.2 | Very low | 62 Ų | 62 | 124.2 Ų | 124.2 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | cis | 136.7 | 119.9 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 908 | E | 43.5 | Very low | 45.7 | Very low | 204 Ų | 204 | 123.5 Ų | 123.5 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -127.3 | 164.3 | -179.2 | -66.2 | -162.9 | 141.1 | 0 | 0 | 112 | ||||
| 909 | A | 46.1 | Very low | 45 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | trans | -76.4 | 150 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 910 | G | 43 | Very low | 44.2 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -98 | 166 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 911 | D | 35.3 | Very low | 43.9 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -154.2 | 163.7 | 159.4 | -107.1 | -28.3 | 0 | 0 | 0 | 109.3 | ||||
| 912 | P | 51.5 | Low | 43.8 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -102.2 | 157.2 | -145.7 | 37.5 | -38.5 | 0 | 0 | 0 | 116.8 | ||||
| 913 | G | 36.6 | Very low | 43.4 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -177.6 | 149.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 914 | L | 36.1 | Very low | 43.5 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -103.5 | 130.9 | -179.5 | -76.9 | 167.9 | 0 | 0 | 0 | 112.6 | ||||
| 915 | E | 45.7 | Very low | 43.2 | Very low | 194 Ų | 194 | 123 Ų | 123 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | 43.7 | 122.6 | 146.1 | -165.8 | 168.3 | -156.7 | 0 | 0 | 122.7 | ||||
| 916 | G | 38.3 | Very low | 42.6 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 105.8 | 166.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 917 | P | 43.2 | Very low | 42.8 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | cis | -116.4 | -165.3 | -10.4 | 40.4 | -26.4 | 0 | 0 | 0 | 112.6 | ||||
| 918 | A | 51.4 | Low | 43.1 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -108.4 | 160.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 919 | G | 41.1 | Very low | 43.2 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | 145.8 | 151.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 920 | S | 42.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -166.1 | 143 | -12.2 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 921 | D | 43.7 | Very low | 43 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 54.3 | 127.8 | 156.9 | -61.3 | -10.2 | 0 | 0 | 0 | 123.6 | ||||
| 922 | G | 42.7 | Very low | 43.2 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -159.6 | 86.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 923 | M | 38.1 | Very low | 42.7 | Very low | 165 Ų | 165 | 111.2 Ų | 111.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -117.6 | 161.4 | -167.7 | -73.3 | -173.5 | 68.5 | 0 | 0 | 115.1 | ||||
| 924 | A | 48.7 | Very low | 43.1 | Very low | 101 Ų | 101 | 109.4 Ų | 109.4 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 72.3 | 148.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 925 | G | 41.6 | Very low | 43.2 | Very low | 71 Ų | 71 | 107.9 Ų | 107.9 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | cis | 178 | 174.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 926 | L | 39.9 | Very low | 43.2 | Very low | 163 Ų | 163 | 104.6 Ų | 104.6 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | cis | -148.8 | -76.5 | -4.8 | -118.3 | 172 | 0 | 0 | 0 | 116.4 | ||||
| 927 | P | 49.9 | Very low | 43.4 | Very low | 118 Ų | 118 | 102.3 Ų | 102.3 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | trans | -133.7 | 122.4 | -137.2 | 38.9 | -21.6 | 0 | 0 | 0 | 121.7 | ||||
| 928 | G | 45.1 | Very low | 43.2 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | trans | 64.4 | 176.9 | 132.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 929 | P | 46.5 | Very low | 43 | Very low | 130 Ų | 130 | 98.1 Ų | 98.1 | 84% | 0.844 | 65% | 0.652 | S | S | * | * | cis | -126.4 | -178.9 | -10.1 | 40.7 | -25.6 | 0 | 0 | 0 | 114.3 | ||||
| 930 | A | 44.5 | Very low | 43.1 | Very low | 85 Ų | 85 | 96.7 Ų | 96.7 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | cis | -174.7 | 157.9 | -30.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 931 | G | 40.1 | Very low | 42.5 | Very low | 49 Ų | 49 | 99.2 Ų | 99.2 | 51% | 0.505 | 64% | 0.641 | S | S | . | * | trans | 85.9 | 164.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | P224 V225 | P224-G931 CarbonylContact C-O 3.54Å; P224-G931 VanDerWaalsContact CA-O 3.3Å; P224-G931 WeakPolarHBondContact CA-O 3.37Å; V225-G931 CarbonylContact O-C 3.57Å; V225-G931 VanDerWaalsContact O-O 3.13Å | ||
| 932 | D | 40.4 | Very low | 42.5 | Very low | 75 Ų | 75 | 97.5 Ų | 97.5 | 40% | 0.401 | 64% | 0.638 | S | S | . | * | cis | -164.4 | 143.2 | -28.4 | -176.5 | 22.4 | 0 | 0 | 0 | 113.2 | S222 P224 V225 | S222-D932 WeakPolarHBondContact CB-OD1 3.34Å; P224-D932 VanDerWaalsContact C-N 3.33Å; V225-D932 WeakPolarHBondContact CA-O 3.3Å; V225-D932 VanDerWaalsContact N-N 3.17Å; V225-D932 PolarHBondContact N-O 2.78Å; V225-D932 PolarHBondContact O-N 3.25Å | ||
| 933 | K | 39.2 | Very low | 42.1 | Very low | 118 Ų | 118 | 97.2 Ų | 97.2 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | trans | 67.8 | 119.1 | -169.4 | -79.1 | 80.2 | -152.4 | 138.3 | 0 | 117.8 | S222 G223 P224 | S222-K933 VanDerWaalsContact C-N 3.29Å; S222-K933 VanDerWaalsContact CA-CA 3.46Å; S222-K933 VanDerWaalsContact OG-CE 3.22Å; S222-K933 WeakPolarHBondContact OG-CE 3.26Å; S222-K933 PolarHBondContact OG-NZ 2.89Å; G223-K933 CarbonylContact C-O 3.42Å; G223-K933 CarbonylContact O-C 3.53Å; G223-K933 VanDerWaalsContact O-C 3.3Å; P224-K933 WeakPolarHBondContact CD-O 3.37Å | ||
| 934 | G | 45 | Very low | 42.1 | Very low | 40 Ų | 40 | 95.3 Ų | 95.3 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | cis | -171.7 | 173.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G223 | G223-G934 VanDerWaalsContact C-N 3.34Å; G223-G934 VanDerWaalsContact N-CA 3.34Å; G223-G934 VanDerWaalsContact N-N 3.14Å; G223-G934 PolarHBondContact O-N 2.67Å | ||
| 935 | E | 39.6 | Very low | 41.6 | Very low | 148 Ų | 148 | 96.4 Ų | 96.4 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | cis | -166.2 | 158.4 | 9.2 | -62.9 | -159 | 112.8 | 0 | 0 | 110.9 | G220 H221 | G220-E935 VanDerWaalsContact C-OE1 3.25Å; G220-E935 VanDerWaalsContact CA-OE1 3.25Å; G220-E935 WeakPolarHBondContact CA-OE1 3.36Å; H221-E935 VanDerWaalsContact N-CA 3.26Å; H221-E935 VanDerWaalsContact N-CB 3.3Å | ||
| 936 | R | 44.9 | Very low | 41.6 | Very low | 125 Ų | 125 | 95.5 Ų | 95.5 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | cis | 71.1 | 116.6 | -21.7 | -150.1 | -82.8 | -59.2 | 138.7 | 10.1 | 128.7 | G220 H221 D938 | G220-R936 CarbonylContact C-O 3.58Å; G220-R936 VanDerWaalsContact CA-C 3.49Å; G220-R936 WeakPolarHBondContact CA-O 3.49Å; G220-R936 PolarHBondContact N-O 3.46Å; H221-R936 HydrophobicContact CB-CB 3.79Å; H221-R936 VanDerWaalsContact CD2-CZ 3.45Å; H221-R936 PolarHBondContact CD2-NE 3.1Å; H221-R936 PolarHBondContact CD2-NH2 3.3Å; H221-R936 PolarHBondContact N-O 2.88Å; H221-R936 PolarHBondContact NE2-NH2 2.84Å; R936-D938 IonicContact CZ-OD1 2.64Å; R936-D938 IonicContact NH1-OD1 2.71Å; R936-D938 PolarHBondContact NH1-OD1 2.92Å; R936-D938 IonicContact NH2-OD1 3.19Å | ||
| 937 | G | 44 | Very low | 41.7 | Very low | 19 Ų | 19 | 94 Ų | 94 | 20% | 0.196 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -54.9 | 128.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | S218 R219 | S218-G937 WeakPolarHBondContact O-CA 3.22Å; R219-G937 VanDerWaalsContact O-CA 3.26Å; R219-G937 WeakPolarHBondContact O-CA 3.06Å; R219-G937 PolarHBondContact O-N 2.83Å |
| 938 | D | 38.1 | Very low | 41.4 | Very low | 52 Ų | 52 | 94.5 Ų | 94.5 | 28% | 0.278 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -97 | 132.6 | 159 | -62.9 | -32.5 | 0 | 0 | 0 | 111.6 | S218 R219 R936 | S218-D938 CarbonylContact C-O 3.1Å; S218-D938 WeakPolarHBondContact CA-O 3.49Å; S218-D938 WeakPolarHBondContact CB-O 3.5Å; R219-D938 HydrophobicContact CB-CB 3.8Å; R219-D938 WeakPolarHBondContact CD-OD2 3.27Å; R219-D938 IonicContact CZ-OD2 3.42Å; R219-D938 VanDerWaalsContact N-N 3.1Å; R219-D938 PolarHBondContact N-O 2.96Å; R219-D938 IonicContact NE-OD2 3.43Å; R219-D938 IonicContact NH1-OD2 3.34Å; R219-D938 PolarHBondContact NH1-OD2 3.05Å; R936-D938 IonicContact CZ-OD1 2.64Å; R936-D938 IonicContact NH1-OD1 2.71Å; R936-D938 PolarHBondContact NH1-OD1 2.92Å; R936-D938 IonicContact NH2-OD1 3.19Å |
| 939 | P | 47.2 | Very low | 41.2 | Very low | 107 Ų | 107 | 93 Ų | 93 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 168.9 | 175.2 | -23.7 | 34.8 | 0 | 0 | 0 | 116 | ||
| 940 | G | 43.8 | Very low | 41.1 | Very low | 45 Ų | 45 | 93 Ų | 93 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 122.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 941 | L | 30.1 | Very low | 40.9 | Very low | 162 Ų | 162 | 96 Ų | 96 | 85% | 0.848 | 60% | 0.604 | S | S | * | * | trans | -164.1 | 163.2 | 168.7 | -86.9 | 176.7 | 0 | 0 | 0 | 107.3 | ||||
| 942 | P | 42.8 | Very low | 40.8 | Very low | 115 Ų | 115 | 96.5 Ų | 96.5 | 75% | 0.747 | 61% | 0.609 | S | S | * | * | cis | -116.5 | -173 | -42.1 | 36.2 | -20.9 | 0 | 0 | 0 | 110.3 | ||||
| 943 | G | 35 | Very low | 40.8 | Very low | 76 Ų | 76 | 101.1 Ų | 101.1 | 78% | 0.784 | 63% | 0.634 | S | S | * | * | trans | -73.5 | 137.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 944 | T | 38.2 | Very low | 41.1 | Very low | 126 Ų | 126 | 103.4 Ų | 103.4 | 77% | 0.773 | 65% | 0.647 | S | S | * | * | trans | -117.6 | 122.8 | 158.6 | 55.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 945 | V | 38.3 | Very low | 41.2 | Very low | 123 Ų | 123 | 104 Ų | 104 | 75% | 0.745 | 65% | 0.653 | S | S | * | * | 42.7 | 104.4 | 85.8 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 946 | G | 40.5 | Very low | 41.3 | Very low | 53 Ų | 53 | 103.2 Ų | 103.2 | 55% | 0.546 | 66% | 0.661 | S | S | . | * | trans | -70.4 | -172.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I948 | G946-I948 VanDerWaalsContact C-N 3.3Å; G946-I948 PolarHBondContact O-N 2.89Å | ||
| 947 | P | 41.5 | Very low | 41.3 | Very low | 131 Ų | 131 | 102.1 Ų | 102.1 | 85% | 0.851 | 67% | 0.673 | S | S | * | * | trans | -63.3 | 93.9 | 171 | 28.2 | -34.1 | 0 | 0 | 0 | 110.3 | G949 | P947-G949 PolarHBondContact O-N 2.85Š| ||
| 948 | I | 44.4 | Very low | 41.3 | Very low | 129 Ų | 129 | 104.2 Ų | 104.2 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | -41.1 | 125.4 | 127 | -63.2 | 171.5 | 0 | 0 | 0 | 105.3 | G946 | G946-I948 VanDerWaalsContact C-N 3.3Å; G946-I948 PolarHBondContact O-N 2.89Å | |||
| 949 | G | 41.5 | Very low | 41.4 | Very low | 46 Ų | 46 | 106 Ų | 106 | 47% | 0.474 | 72% | 0.716 | S | S | . | * | trans | -63.5 | -179.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P947 D951 | P947-G949 PolarHBondContact O-N 2.85Å; G949-D951 PolarHBondContact O-N 3.17Å | ||
| 950 | P | 44.1 | Very low | 41.6 | Very low | 130 Ų | 130 | 107.1 Ų | 107.1 | 84% | 0.844 | 72% | 0.723 | S | S | * | * | trans | -62.3 | 83.5 | 153.6 | 30 | -33.1 | 0 | 0 | 0 | 108.6 | G952 | P950-G952 WeakPolarHBondContact O-CA 3.08Å; P950-G952 PolarHBondContact O-N 3.3Å; P950-G952 VanDerWaalsContact O-N 3.09Å | ||
| 951 | D | 40.6 | Very low | 41.6 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -48.1 | 114.6 | 144.4 | -87.5 | -31.6 | 0 | 0 | 0 | 105 | G949 | G949-D951 PolarHBondContact O-N 3.17Š| ||
| 952 | G | 38.7 | Very low | 42.1 | Very low | 60 Ų | 60 | 108.9 Ų | 108.9 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | trans | -64 | 161.7 | -140.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P950 Q954 | P950-G952 WeakPolarHBondContact O-CA 3.08Å; P950-G952 PolarHBondContact O-N 3.3Å; P950-G952 VanDerWaalsContact O-N 3.09Å; G952-Q954 PolarHBondContact O-N 3.27Å | ||
| 953 | D | 39.6 | Very low | 42.3 | Very low | 173 Ų | 173 | 111.6 Ų | 111.6 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | trans | -48.3 | 110.3 | 164.8 | -98.6 | -44.4 | 0 | 0 | 0 | 109 | G955 | D953-G955 PolarHBondContact O-N 3.15Š| ||
| 954 | Q | 45.7 | Very low | 42.9 | Very low | 165 Ų | 165 | 110.4 Ų | 110.4 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | -60.3 | 100.5 | -171.7 | 178.6 | -176.4 | -17 | 0 | 0 | 108.6 | G952 | G952-Q954 PolarHBondContact O-N 3.27Š| ||
| 955 | G | 46.3 | Very low | 43.5 | Very low | 54 Ų | 54 | 110.7 Ų | 110.7 | 56% | 0.557 | 73% | 0.73 | S | S | * | * | trans | -47 | 134.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D953 S957 | D953-G955 PolarHBondContact O-N 3.15Å; G955-S957 PolarHBondContact O-N 2.99Å | ||
| 956 | P | 43.1 | Very low | 44 | Very low | 131 Ų | 131 | 111.7 Ų | 111.7 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -50.1 | 115.1 | -160.1 | 16.6 | -31.7 | 0 | 0 | 0 | 111.3 | G958 | P956-G958 PolarHBondContact O-N 2.77Å; P956-G958 VanDerWaalsContact O-N 3.12Å |
| 957 | S | 43.3 | Very low | 44.4 | Very low | 102 Ų | 102 | 111.9 Ų | 111.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -43.4 | 115.5 | -161.2 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | G955 A959 | G955-S957 PolarHBondContact O-N 2.99Å; S957-A959 PolarHBondContact O-N 2.84Å | ||
| 958 | G | 43.6 | Very low | 44.8 | Very low | 62 Ų | 62 | 111.7 Ų | 111.7 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112 | P956 P960 | P956-G958 PolarHBondContact O-N 2.77Å; P956-G958 VanDerWaalsContact O-N 3.12Å; G958-P960 WeakPolarHBondContact O-CD 3.45Å; G958-P960 VanDerWaalsContact O-N 3.16Å |
| 959 | A | 41.2 | Very low | 44.9 | Very low | 90 Ų | 90 | 111.7 Ų | 111.7 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 121.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S957 G961 | S957-A959 PolarHBondContact O-N 2.84Å; A959-G961 PolarHBondContact O-N 2.74Å; A959-G961 VanDerWaalsContact O-N 3.15Å |
| 960 | P | 51.6 | Low | 44.8 | Very low | 131 Ų | 131 | 112.4 Ų | 112.4 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -50 | 122.4 | -173.8 | -33 | 36.9 | 0 | 0 | 0 | 112.6 | G958 | G958-P960 WeakPolarHBondContact O-CD 3.45Å; G958-P960 VanDerWaalsContact O-N 3.16Å |
| 961 | G | 43.1 | Very low | 44.3 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 157.6 | -158.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A959 | A959-G961 PolarHBondContact O-N 2.74Å; A959-G961 VanDerWaalsContact O-N 3.15Å |
| 962 | K | 40.3 | Very low | 44.2 | Very low | 173 Ų | 173 | 113.7 Ų | 113.7 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -91.7 | 113.9 | 164.6 | -71.9 | -174.9 | 179.9 | 174.3 | 0 | 109.3 | G964 | K962-G964 PolarHBondContact O-N 2.66Š| ||
| 963 | I | 47.1 | Very low | 44.1 | Very low | 171 Ų | 171 | 114.1 Ų | 114.1 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -43.2 | 119.9 | 171.4 | -61.7 | 159.6 | 0 | 0 | 0 | 109.3 | ||||
| 964 | G | 47.6 | Very low | 44.1 | Very low | 52 Ų | 52 | 115.5 Ų | 115.5 | 54% | 0.536 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -85.4 | 161.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K962 | K962-G964 PolarHBondContact O-N 2.66Š|
| 965 | P | 51.9 | Low | 44 | Very low | 132 Ų | 132 | 113.8 Ų | 113.8 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125.2 | 165.8 | 30.8 | -31.3 | 0 | 0 | 0 | 110.2 | ||
| 966 | T | 47.6 | Very low | 43.4 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 133 | 173.5 | -48.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 967 | G | 50.3 | Low | 43.2 | Very low | 57 Ų | 57 | 118.6 Ų | 118.6 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 162.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 968 | P | 48.7 | Very low | 43 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.3 | 172.2 | 31.9 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 969 | P | 47.7 | Very low | 43.1 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81 | 154.3 | -171.4 | -10.2 | 28.7 | 0 | 0 | 0 | 113.1 | ||
| 970 | G | 38 | Very low | 42.9 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | -85.6 | -179.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 971 | N | 33.7 | Very low | 42.6 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | 177.7 | 140.5 | 129 | -93.4 | -31.4 | 0 | 0 | 0 | 114.6 | |||||
| 972 | V | 38.9 | Very low | 42.3 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | 56.8 | 116.6 | 145.7 | -178.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 973 | G | 36.1 | Very low | 42.2 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 151.2 | 122.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 974 | K | 40.9 | Very low | 42 | Very low | 202 Ų | 202 | 118.6 Ų | 118.6 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | cis | -141.7 | 165.6 | 2.5 | -72.6 | -179.7 | 178.2 | 177.1 | 0 | 110.6 | ||||
| 975 | P | 42.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58 | 154.6 | 170 | -23 | 34.9 | 0 | 0 | 0 | 112.8 | ||
| 976 | G | 34.3 | Very low | 40.7 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 173.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 977 | E | 38.8 | Very low | 40.4 | Very low | 208 Ų | 208 | 120.4 Ų | 120.4 | 97% | 0.972 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 152.8 | 169.4 | -63.1 | -174.1 | 139.5 | 0 | 0 | 110.6 | ||
| 978 | M | 39.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 121.4 Ų | 121.4 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | trans | -130.5 | 135.1 | -170.4 | 172.4 | 176.4 | 62.8 | 0 | 0 | 111.6 | ||||
| 979 | G | 44.9 | Very low | 39.2 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | 93.8 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 980 | P | 37.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | cis | -88 | 169.2 | 12 | 34.8 | -35.7 | 0 | 0 | 0 | 114.8 | ||
| 981 | P | 46 | Very low | 39 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73 | 166.5 | -178 | -16.5 | 32.2 | 0 | 0 | 0 | 114.3 | N983 | P981-N983 PolarHBondContact O-N 2.78Š|
| 982 | G | 36.1 | Very low | 39.4 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 117.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 983 | N | 38 | Very low | 39.8 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 152.2 | 174.1 | -77 | -40.5 | 0 | 0 | 0 | 111 | P981 | P981-N983 PolarHBondContact O-N 2.78Š|
| 984 | A | 42.6 | Very low | 40.1 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L986 | A984-L986 PolarHBondContact O-N 3.02Š|
| 985 | G | 34.8 | Very low | 40.4 | Very low | 84 Ų | 84 | 120.6 Ų | 120.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60 | 128.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 986 | L | 38.2 | Very low | 40.6 | Very low | 158 Ų | 158 | 118.6 Ų | 118.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -108.9 | 153.7 | 176.7 | -74.1 | 170.9 | 0 | 0 | 0 | 110.5 | A984 | A984-L986 PolarHBondContact O-N 3.02Š| ||
| 987 | P | 40.5 | Very low | 41 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 142 | -165.5 | -18.9 | 33.3 | 0 | 0 | 0 | 112.9 | ||||
| 988 | G | 36.4 | Very low | 41.3 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -67.8 | 146.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 989 | R | 37.7 | Very low | 41.9 | Very low | 230 Ų | 230 | 116.6 Ų | 116.6 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -161.7 | 117.4 | 159.6 | -123.3 | 175.3 | 179.8 | -166.3 | -3.4 | 113.2 | ||||
| 990 | T | 40.4 | Very low | 42 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 44.4 | 113.8 | 146.5 | 51.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 991 | G | 41.7 | Very low | 42.1 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 100.3 | 123.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P993 | G991-P993 WeakPolarHBondContact O-CD 3.22Š| ||
| 992 | L | 42 | Very low | 42 | Very low | 179 Ų | 179 | 119.7 Ų | 119.7 | 94% | 0.937 | 76% | 0.755 | S | S | * | * | trans | -107.9 | 91.5 | 165.2 | -75.6 | 171 | 0 | 0 | 0 | 110.6 | ||||
| 993 | P | 46.7 | Very low | 42.1 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 49% | 0.494 | 74% | 0.744 | S | S | . | * | trans | -60.2 | 131.6 | 146 | -18.2 | 32.8 | 0 | 0 | 0 | 108.3 | G991 E1010 | G991-P993 WeakPolarHBondContact O-CD 3.22Å; P993-E1010 WeakPolarHBondContact CB-OE2 3.45Å; P993-E1010 HydrophobicContact CG-CB 4.48Å; P993-E1010 WeakPolarHBondContact CG-OE2 3.41Å | ||
| 994 | G | 43 | Very low | 42.4 | Very low | 56 Ų | 56 | 120.1 Ų | 120.1 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | trans | -65.6 | 173.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | P996 | G994-P996 VanDerWaalsContact C-CD 3.49Å; G994-P996 WeakPolarHBondContact O-CD 3.15Å | ||
| 995 | P | 47.2 | Very low | 43.1 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -99.2 | 94 | 178.2 | 35.3 | -32.4 | 0 | 0 | 0 | 113.9 | ||||
| 996 | P | 46.6 | Very low | 43.3 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | trans | -62.4 | 141 | 161.9 | -26.2 | 33.5 | 0 | 0 | 0 | 114 | G994 P1007 | G994-P996 VanDerWaalsContact C-CD 3.49Å; G994-P996 WeakPolarHBondContact O-CD 3.15Å; P996-P1007 HydrophobicContact CB-CG 3.26Å; P996-P1007 HydrophobicContact CG-CG 3.64Å | ||
| 997 | G | 42 | Very low | 43.8 | Very low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | trans | 60.9 | 81.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | D999 | G997-D999 PolarHBondContact O-N 2.92Š| ||
| 998 | K | 45.7 | Very low | 44.6 | Very low | 206 Ų | 206 | 125.1 Ų | 125.1 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -66.2 | 123.6 | 156.2 | -57.7 | -178.3 | -173.9 | -178.5 | 0 | 109.1 | ||
| 999 | D | 52 | Low | 45.1 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 72% | 0.722 | S | S | * | * | trans | 38.1 | 112.1 | 168.2 | -58.5 | -33.8 | 0 | 0 | 0 | 119.3 | G997 | G997-D999 PolarHBondContact O-N 2.92Š| ||
| 1000 | G | 47.1 | Very low | 45.3 | Very low | 15 Ų | 15 | 121.6 Ų | 121.6 | 16% | 0.155 | 72% | 0.717 | C | S | . | * | trans | -158.6 | 60 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1003 K1004 Q1005 | G1000-G1003 CarbonylContact O-C 3.52Å; G1000-G1003 WeakPolarHBondContact O-CA 3.36Å; G1000-K1004 VanDerWaalsContact C-N 3.29Å; G1000-K1004 VanDerWaalsContact CA-N 3.31Å; G1000-K1004 VanDerWaalsContact CA-O 3.23Å; G1000-K1004 WeakPolarHBondContact CA-O 3.1Å; G1000-K1004 CarbonylContact O-C 3.55Å; G1000-K1004 PolarHBondContact O-N 3.21Å; G1000-Q1005 PolarHBondContact O-N 3.2Å | ||
| 1001 | Q | 40.4 | Very low | 46.2 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 104.5 | 152.1 | -64.1 | -170.5 | 30.5 | 0 | 0 | 106.9 | ||
| 1002 | V | 43.9 | Very low | 46.3 | Very low | 163 Ų | 163 | 124 Ų | 124 | 99% | 0.988 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -114 | 115.5 | 8.3 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1003 | G | 38 | Very low | 46.3 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -162.5 | 140.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G1000 | G1000-G1003 CarbonylContact O-C 3.52Å; G1000-G1003 WeakPolarHBondContact O-CA 3.36Å |
| 1004 | K | 42.7 | Very low | 46.9 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 179.2 | 90.6 | 165.3 | -104.6 | 177.8 | -178.3 | -176.6 | 0 | 107.5 | G1000 G1006 | G1000-K1004 VanDerWaalsContact C-N 3.29Å; G1000-K1004 VanDerWaalsContact CA-N 3.31Å; G1000-K1004 VanDerWaalsContact CA-O 3.23Å; G1000-K1004 WeakPolarHBondContact CA-O 3.1Å; G1000-K1004 CarbonylContact O-C 3.55Å; G1000-K1004 PolarHBondContact O-N 3.21Å; K1004-G1006 PolarHBondContact O-N 3.03Å |
| 1005 | Q | 57.5 | Low | 47.1 | Very low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.3 | -165.7 | -169.4 | 172.9 | 12.3 | 0 | 0 | 113.4 | G1000 | G1000-Q1005 PolarHBondContact O-N 3.2Š|
| 1006 | G | 40.7 | Very low | 46.8 | Very low | 46 Ų | 46 | 128.1 Ų | 128.1 | 47% | 0.474 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 144.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1004 | K1004-G1006 PolarHBondContact O-N 3.03Š|
| 1007 | P | 46.8 | Very low | 47.1 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 59% | 0.591 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 164.5 | 179.4 | 35.2 | -35.2 | 0 | 0 | 0 | 113.2 | P996 | P996-P1007 HydrophobicContact CB-CG 3.26Å; P996-P1007 HydrophobicContact CG-CG 3.64Å |
| 1008 | R | 57.9 | Low | 47.2 | Very low | 238 Ų | 238 | 129.9 Ų | 129.9 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 141.4 | -174.7 | 171.3 | 176.3 | 168.1 | 178.5 | -5.2 | 109.3 | ||
| 1009 | G | 47.5 | Very low | 46.8 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 155.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1010 | E | 42.2 | Very low | 46.9 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 140.8 | -176.6 | -63.7 | -172.7 | 143.2 | 0 | 0 | 112.7 | P993 | P993-E1010 WeakPolarHBondContact CB-OE2 3.45Å; P993-E1010 HydrophobicContact CG-CB 4.48Å; P993-E1010 WeakPolarHBondContact CG-OE2 3.41Å |
| 1011 | E | 57.8 | Low | 46.6 | Very low | 190 Ų | 190 | 124.2 Ų | 124.2 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 149 | 173.7 | -161.3 | 170.2 | 145.5 | 0 | 0 | 109.2 | ||
| 1012 | G | 45.5 | Very low | 47.1 | Very low | 61 Ų | 61 | 122 Ų | 122 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 156.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1014 | G1012-R1014 PolarHBondContact O-N 3.01Å; G1012-R1014 VanDerWaalsContact O-N 3.13Å |
| 1013 | P | 40.9 | Very low | 47.6 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | -65.4 | 113.6 | -172.1 | 26.1 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 1014 | R | 59.4 | Low | 48.1 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -74.7 | 142.5 | 159.5 | 173.5 | 174.6 | 159.6 | 159.2 | -6 | 109.1 | G1012 D1017 | G1012-R1014 PolarHBondContact O-N 3.01Å; G1012-R1014 VanDerWaalsContact O-N 3.13Å; R1014-D1017 IonicContact CZ-OD2 3.61Å; R1014-D1017 IonicContact NE-OD2 3.56Å; R1014-D1017 IonicContact NH2-OD2 2.8Å; R1014-D1017 PolarHBondContact NH2-OD2 3.45Å | ||
| 1015 | G | 47.7 | Very low | 48.8 | Very low | 54 Ų | 54 | 119.8 Ų | 119.8 | 56% | 0.557 | 71% | 0.711 | S | S | * | * | trans | -62.6 | 162.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1017 | G1015-D1017 PolarHBondContact O-N 3.11Š| ||
| 1016 | P | 41.5 | Very low | 48.4 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -76.9 | 111.8 | -165.2 | 29.7 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 1017 | D | 51.2 | Low | 48.6 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | -84.6 | 141.8 | 158.2 | -69.4 | -50.1 | 0 | 0 | 0 | 108.9 | R1014 G1015 | R1014-D1017 IonicContact CZ-OD2 3.61Å; R1014-D1017 IonicContact NE-OD2 3.56Å; R1014-D1017 IonicContact NH2-OD2 2.8Å; R1014-D1017 PolarHBondContact NH2-OD2 3.45Å; G1015-D1017 PolarHBondContact O-N 3.11Å | ||
| 1018 | G | 44.2 | Very low | 48.5 | Very low | 64 Ų | 64 | 119.6 Ų | 119.6 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -81.7 | 157.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P1020 | G1018-P1020 VanDerWaalsContact O-CD 3.23Å; G1018-P1020 WeakPolarHBondContact O-CD 3.47Å | ||
| 1019 | N | 37.3 | Very low | 48.1 | Very low | 106 Ų | 106 | 114 Ų | 114 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | trans | -75.1 | 105.5 | -163.3 | -53 | -27.9 | 0 | 0 | 0 | 117.5 | F1076 | N1019-F1076 CarbonylContact C-O 3.57Å; N1019-F1076 HydrophobicContact CB-CB 4.27Å; N1019-F1076 HydrophobicContact CB-CD2 3.98Å; N1019-F1076 HydrophobicContact CB-CG 4.46Å; N1019-F1076 CarbonylContact O-C 3.16Å; N1019-F1076 WeakPolarHBondContact O-CA 3.48Å; N1019-F1076 VanDerWaalsContact O-CB 3.29Å; N1019-F1076 WeakPolarHBondContact O-CB 3.33Å; N1019-F1076 PolarHBondContact O-N 3.18Å | ||
| 1020 | P | 53.6 | Low | 47.7 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 168.8 | 166.2 | -14.1 | 32.7 | 0 | 0 | 0 | 112 | G1018 | G1018-P1020 VanDerWaalsContact O-CD 3.23Å; G1018-P1020 WeakPolarHBondContact O-CD 3.47Å | ||
| 1021 | G | 42.6 | Very low | 47.9 | Very low | 49 Ų | 49 | 114 Ų | 114 | 51% | 0.505 | 75% | 0.751 | S | S | . | * | trans | -62.5 | 150.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q1023 D1074 | G1021-Q1023 PolarHBondContact O-N 2.73Å; G1021-D1074 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 1022 | I | 49.5 | Very low | 47.4 | Very low | 134 Ų | 134 | 114.7 Ų | 114.7 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | -90.1 | 67.8 | 178.2 | -38.3 | 173.6 | 0 | 0 | 0 | 110.9 | G1024 D1074 | I1022-G1024 PolarHBondContact O-N 3.09Å; I1022-D1074 VanDerWaalsContact C-OD1 3.25Å; I1022-D1074 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1074 WeakPolarHBondContact CA-OD1 3.36Å; I1022-D1074 PolarHBondContact N-OD1 2.83Å | ||
| 1023 | Q | 54 | Low | 47.7 | Very low | 182 Ų | 182 | 114.3 Ų | 114.3 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 116.7 | 177.1 | -176 | 179 | 31.8 | 0 | 0 | 112.4 | G1021 | G1021-Q1023 PolarHBondContact O-N 2.73Š|
| 1024 | G | 49.3 | Very low | 47.9 | Very low | 55 Ų | 55 | 113.6 Ų | 113.6 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.4 | -168 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1022 | I1022-G1024 PolarHBondContact O-N 3.09Š|
| 1025 | P | 56.7 | Low | 47.7 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.7 | -174.7 | 28.8 | -35 | 0 | 0 | 0 | 113.3 | ||
| 1026 | P | 50.9 | Low | 47.6 | Very low | 130 Ų | 130 | 111.2 Ų | 111.2 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.8 | 173.7 | -23.1 | 34.3 | 0 | 0 | 0 | 113.5 | ||
| 1027 | G | 43 | Very low | 47.8 | Very low | 84 Ų | 84 | 110.8 Ų | 110.8 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 147.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1028 | A | 46.1 | Very low | 47.9 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -135.9 | 121.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1029 | S | 48.3 | Very low | 48.2 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 31.2 | 103.6 | 156.6 | -58 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1030 | G | 39.7 | Very low | 48.7 | Very low | 85 Ų | 85 | 117.4 Ų | 117.4 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 151.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1031 | V | 46.9 | Very low | 48.7 | Very low | 148 Ų | 148 | 115.6 Ų | 115.6 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 138.2 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | G1033 | V1031-G1033 PolarHBondContact O-N 3.47Š|
| 1032 | K | 46 | Very low | 48.9 | Very low | 203 Ų | 203 | 114.1 Ų | 114.1 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 116.6 | -175.6 | -178.4 | -179.9 | 179.1 | -179 | 0 | 113 | ||
| 1033 | G | 52.7 | Low | 48.8 | Very low | 54 Ų | 54 | 112.9 Ų | 112.9 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 163.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1031 | V1031-G1033 PolarHBondContact O-N 3.47Š|
| 1034 | P | 45.8 | Very low | 48.9 | Very low | 123 Ų | 123 | 107.5 Ų | 107.5 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153 | 177.6 | 29.1 | -35.1 | 0 | 0 | 0 | 111.7 | G1036 | P1034-G1036 PolarHBondContact O-N 2.71Š|
| 1035 | P | 53.9 | Low | 48.7 | Very low | 131 Ų | 131 | 106 Ų | 106 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125.7 | 174.7 | -22.2 | 33.8 | 0 | 0 | 0 | 111.4 | ||
| 1036 | G | 46.9 | Very low | 48 | Very low | 76 Ų | 76 | 108.2 Ų | 108.2 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1034 | P1034-G1036 PolarHBondContact O-N 2.71Š|
| 1037 | S | 45.5 | Very low | 47.8 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.2 | 167 | 40.8 | 0 | 0 | 0 | 0 | 110.4 | G1039 | S1037-G1039 PolarHBondContact O-N 3.49Š|
| 1038 | R | 53.4 | Low | 48 | Very low | 246 Ų | 246 | 112.5 Ų | 112.5 | 93% | 0.928 | 71% | 0.708 | S | S | * | * | trans | -72.1 | 112.8 | -179.1 | 177.1 | 178.9 | 175.7 | 179.6 | -2.4 | 109.9 | ||||
| 1039 | G | 50.4 | Low | 47.7 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | -63.5 | 152.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1037 | S1037-G1039 PolarHBondContact O-N 3.49Š| ||
| 1040 | P | 47 | Very low | 47.7 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | -78.1 | 167.6 | -179 | 33.4 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 1041 | V | 54.9 | Low | 48 | Very low | 75 Ų | 75 | 113.6 Ų | 113.6 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | trans | -115 | 132.5 | 163.9 | -139.6 | 0 | 0 | 0 | 0 | 105.4 | I1502 Y1503 D1504 | V1041-I1502 HydrophobicContact CG1-CG2 4Å; V1041-I1502 CarbonylContact O-C 3.45Å; V1041-Y1503 CarbonylContact O-C 2.73Å; V1041-Y1503 WeakPolarHBondContact O-CA 2.95Å; V1041-Y1503 PolarHBondContact O-N 3.32Å; V1041-Y1503 VanDerWaalsContact O-O 3.09Å; V1041-D1504 PolarHBondContact O-N 2.96Å | ||
| 1042 | G | 46.7 | Very low | 47.5 | Very low | 17 Ų | 17 | 115.1 Ų | 115.1 | 18% | 0.175 | 70% | 0.704 | C | S | . | * | trans | -119.5 | -144.9 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | T1044 N1501 I1502 Y1503 | G1042-T1044 PolarHBondContact O-N 2.84Å; G1042-N1501 VanDerWaalsContact C-CB 3.41Å; G1042-N1501 VanDerWaalsContact CA-CG 3.42Å; G1042-N1501 WeakPolarHBondContact CA-OD1 3.44Å; G1042-N1501 PolarHBondContact N-OD1 3.12Å; G1042-N1501 CarbonylContact O-C 3.29Å; G1042-N1501 WeakPolarHBondContact O-CB 3.23Å; G1042-I1502 CarbonylContact O-C 3.51Å; G1042-I1502 VanDerWaalsContact O-C 3.24Å; G1042-I1502 WeakPolarHBondContact O-CA 3.33Å; G1042-I1502 PolarHBondContact O-N 2.9Å; G1042-Y1503 PolarHBondContact O-N 3.32Å | ||
| 1043 | P | 47.6 | Very low | 47.4 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -66.5 | 128.3 | 179.2 | -23 | 35.3 | 0 | 0 | 0 | 114.7 | N1501 | P1043-N1501 WeakPolarHBondContact O-CB 3.44Š|
| 1044 | T | 54.5 | Low | 47 | Very low | 70 Ų | 70 | 114.3 Ų | 114.3 | 43% | 0.429 | 71% | 0.71 | S | S | . | * | trans | -92.2 | 169.5 | -159.9 | -160.4 | 0 | 0 | 0 | 0 | 117.3 | G1042 N1501 | G1042-T1044 PolarHBondContact O-N 2.84Å; T1044-N1501 WeakPolarHBondContact CA-O 3.47Å; T1044-N1501 WeakPolarHBondContact CB-O 3.43Å; T1044-N1501 PolarHBondContact OG1-O 2.87Å | ||
| 1045 | G | 45.7 | Very low | 46.7 | Very low | 24 Ų | 24 | 117.4 Ų | 117.4 | 25% | 0.247 | 71% | 0.714 | C | S | . | * | trans | -95.7 | 110 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1046 | M | 41.1 | Very low | 46.6 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 84% | 0.842 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 151.9 | 170.6 | -69.2 | -177.2 | 68 | 0 | 0 | 113 | ||
| 1047 | R | 48 | Very low | 46.7 | Very low | 247 Ų | 247 | 116.8 Ų | 116.8 | 93% | 0.932 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 122.4 | -176.7 | -178.3 | -177.2 | -176.3 | -176 | 3.3 | 111.8 | ||
| 1048 | G | 47.3 | Very low | 46.9 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 58% | 0.577 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 156.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1049 | P | 40.4 | Very low | 47.2 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 156.9 | 177.7 | 32 | -35.4 | 0 | 0 | 0 | 112.2 | G1051 | P1049-G1051 PolarHBondContact O-N 3.47Š|
| 1050 | P | 47.5 | Very low | 47.2 | Very low | 132 Ų | 132 | 112 Ų | 112 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.6 | 179.3 | -21 | 33.7 | 0 | 0 | 0 | 113 | ||
| 1051 | G | 46.6 | Very low | 47.1 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 156.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1049 | P1049-G1051 PolarHBondContact O-N 3.47Š|
| 1052 | L | 35.9 | Very low | 47.2 | Very low | 179 Ų | 179 | 121.5 Ų | 121.5 | 94% | 0.937 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152 | -178.3 | -70 | 166 | 0 | 0 | 0 | 112.5 | G1054 | L1052-G1054 PolarHBondContact O-N 3.08Å; L1052-G1054 VanDerWaalsContact O-N 3.16Å |
| 1053 | I | 43.5 | Very low | 47.4 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -67.4 | 111 | -179.8 | -64.9 | 172.9 | 0 | 0 | 0 | 110.4 | ||||
| 1054 | G | 44.2 | Very low | 47 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 161 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1052 | L1052-G1054 PolarHBondContact O-N 3.08Å; L1052-G1054 VanDerWaalsContact O-N 3.16Å |
| 1055 | Q | 39.1 | Very low | 46.7 | Very low | 188 Ų | 188 | 129.9 Ų | 129.9 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 155.1 | -174.3 | -63.5 | -179.8 | 8.5 | 0 | 0 | 112.8 | G1057 | Q1055-G1057 PolarHBondContact O-N 3.26Š|
| 1056 | P | 53.4 | Low | 46.9 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.9 | 177.5 | -23.5 | 34.3 | 0 | 0 | 0 | 112.8 | ||
| 1057 | G | 48.8 | Very low | 46.9 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 153.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1055 | Q1055-G1057 PolarHBondContact O-N 3.26Š|
| 1058 | P | 48 | Very low | 47.4 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149.8 | 175.6 | 28 | -34.7 | 0 | 0 | 0 | 111.4 | G1060 | P1058-G1060 PolarHBondContact O-N 2.77Š|
| 1059 | P | 60.6 | Low | 47.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.5 | -179.1 | -28.1 | 35.8 | 0 | 0 | 0 | 113.2 | ||
| 1060 | G | 51.5 | Low | 47.4 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 139.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1058 | P1058-G1060 PolarHBondContact O-N 2.77Š|
| 1061 | K | 44.3 | Very low | 48 | Very low | 210 Ų | 210 | 133 Ų | 133 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 136.4 | 167.4 | -71.6 | -174.6 | 177.4 | -179.5 | 0 | 109.2 | G1063 | K1061-G1063 PolarHBondContact O-N 2.93Š|
| 1062 | Q | 56.1 | Low | 47.9 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 128.6 | -177.5 | -178.5 | 174.8 | -17.2 | 0 | 0 | 111.5 | ||
| 1063 | G | 51 | Low | 48.4 | Very low | 64 Ų | 64 | 129.5 Ų | 129.5 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 145.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1061 Q1065 | K1061-G1063 PolarHBondContact O-N 2.93Å; G1063-Q1065 PolarHBondContact O-N 2.91Å; G1063-Q1065 VanDerWaalsContact O-N 3.12Å |
| 1064 | S | 39.6 | Very low | 48.4 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -56.9 | 116 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | G1066 | S1064-G1066 PolarHBondContact O-N 2.89Å; S1064-G1066 VanDerWaalsContact O-N 3.09Å | ||
| 1065 | Q | 49.3 | Very low | 48.1 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57 | 117.3 | 168.7 | -176.6 | 172 | -9.3 | 0 | 0 | 108 | G1063 | G1063-Q1065 PolarHBondContact O-N 2.91Å; G1063-Q1065 VanDerWaalsContact O-N 3.12Å |
| 1066 | G | 48 | Very low | 48.5 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 142.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1064 P1068 | S1064-G1066 PolarHBondContact O-N 2.89Å; S1064-G1066 VanDerWaalsContact O-N 3.09Å; G1066-P1068 VanDerWaalsContact O-CD 3.28Å; G1066-P1068 WeakPolarHBondContact O-CD 3.41Å; G1066-P1068 VanDerWaalsContact O-N 3.1Å |
| 1067 | R | 42.8 | Very low | 48.4 | Very low | 247 Ų | 247 | 126.8 Ų | 126.8 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 118.8 | 173.3 | -73.5 | -177.1 | 174.1 | -176.7 | -2.5 | 108.5 | G1069 | R1067-G1069 PolarHBondContact O-N 2.72Š|
| 1068 | P | 57.2 | Low | 48.3 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.6 | 175.5 | -26.4 | 35.9 | 0 | 0 | 0 | 110.1 | G1066 | G1066-P1068 VanDerWaalsContact O-CD 3.28Å; G1066-P1068 WeakPolarHBondContact O-CD 3.41Å; G1066-P1068 VanDerWaalsContact O-N 3.1Å |
| 1069 | G | 46.8 | Very low | 47.9 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 141.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1067 P1071 | R1067-G1069 PolarHBondContact O-N 2.72Å; G1069-P1071 VanDerWaalsContact O-CD 3.28Å; G1069-P1071 WeakPolarHBondContact O-CD 3.45Å; G1069-P1071 VanDerWaalsContact O-N 3.15Å |
| 1070 | K | 40.9 | Very low | 47.8 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 90% | 0.9 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 120.4 | 177.8 | -69.8 | -173.9 | 176.3 | -173.8 | 0 | 109.5 | ||
| 1071 | P | 61.4 | Low | 47.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.6 | 168.4 | -22.6 | 34.8 | 0 | 0 | 0 | 110.2 | G1069 | G1069-P1071 VanDerWaalsContact O-CD 3.28Å; G1069-P1071 WeakPolarHBondContact O-CD 3.45Å; G1069-P1071 VanDerWaalsContact O-N 3.15Å |
| 1072 | G | 43.4 | Very low | 48 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 150 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1074 | G1072-D1074 PolarHBondContact O-N 2.84Š|
| 1073 | P | 46.6 | Very low | 48.2 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 117.2 | 178.4 | 30.7 | -32.8 | 0 | 0 | 0 | 111.4 | ||
| 1074 | D | 43 | Very low | 48.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 55% | 0.551 | 76% | 0.759 | S | S | * | * | trans | -166.4 | 127.7 | 167.6 | -92 | -21.1 | 0 | 0 | 0 | 107.6 | G1021 I1022 G1072 | G1021-D1074 WeakPolarHBondContact CA-OD1 3.48Å; I1022-D1074 VanDerWaalsContact C-OD1 3.25Å; I1022-D1074 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1074 WeakPolarHBondContact CA-OD1 3.36Å; I1022-D1074 PolarHBondContact N-OD1 2.83Å; G1072-D1074 PolarHBondContact O-N 2.84Å | ||
| 1075 | G | 38.8 | Very low | 48.4 | Very low | 51 Ų | 51 | 133.1 Ų | 133.1 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | cis | -153 | -179.2 | -14.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1076 | F | 46.6 | Very low | 48.8 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -91.7 | 133.1 | -178.5 | -64.6 | -104.9 | 0 | 0 | 0 | 112.7 | N1019 | N1019-F1076 CarbonylContact C-O 3.57Å; N1019-F1076 HydrophobicContact CB-CB 4.27Å; N1019-F1076 HydrophobicContact CB-CD2 3.98Å; N1019-F1076 HydrophobicContact CB-CG 4.46Å; N1019-F1076 CarbonylContact O-C 3.16Å; N1019-F1076 WeakPolarHBondContact O-CA 3.48Å; N1019-F1076 VanDerWaalsContact O-CB 3.29Å; N1019-F1076 WeakPolarHBondContact O-CB 3.33Å; N1019-F1076 PolarHBondContact O-N 3.18Å | ||
| 1077 | E | 52.5 | Low | 48.9 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -147.4 | 138 | 162.3 | -164.3 | 176.5 | 174.9 | 0 | 0 | 111.7 | ||||
| 1078 | G | 45.8 | Very low | 49.1 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 69.2 | 92.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | R1080 | G1078-R1080 PolarHBondContact O-N 2.57Å; G1078-R1080 VanDerWaalsContact O-N 3.12Å | ||
| 1079 | K | 39.5 | Very low | 49.2 | Very low | 218 Ų | 218 | 125.8 Ų | 125.8 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | trans | -63 | 111.2 | 161.8 | -72.9 | -174.9 | 178 | -179.2 | 0 | 110.2 | ||||
| 1080 | R | 58.3 | Low | 49.5 | Very low | 241 Ų | 241 | 126.3 Ų | 126.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 138.3 | 169.1 | -174.9 | 173.1 | -70.9 | -153.5 | -1.3 | 109.7 | G1078 | G1078-R1080 PolarHBondContact O-N 2.57Å; G1078-R1080 VanDerWaalsContact O-N 3.12Å |
| 1081 | G | 51.2 | Low | 49.9 | Very low | 55 Ų | 55 | 123.1 Ų | 123.1 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1082 | P | 50.3 | Low | 49.6 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 148.2 | -177 | 25.5 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 1083 | P | 59.1 | Low | 50.4 | Low | 129 Ų | 129 | 123.3 Ų | 123.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 145.7 | 177.8 | -23.4 | 34.4 | 0 | 0 | 0 | 113.1 | ||
| 1084 | G | 49.8 | Very low | 50.1 | Low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 152.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1085 | E | 45.2 | Very low | 50.1 | Low | 200 Ų | 200 | 129.7 Ų | 129.7 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 149.7 | -177.6 | -61.5 | -177 | 136.7 | 0 | 0 | 112.9 | ||
| 1086 | I | 58.2 | Low | 50.8 | Low | 170 Ų | 170 | 130.8 Ų | 130.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80 | 128.1 | -175.3 | -63.2 | 172.4 | 0 | 0 | 0 | 110 | ||
| 1087 | G | 50.2 | Low | 51 | Low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 147.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1088 | A | 46.2 | Very low | 50.6 | Low | 98 Ų | 98 | 125.8 Ų | 125.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1089 | P | 59.5 | Low | 50.7 | Low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.2 | -179.7 | -23.2 | 34.4 | 0 | 0 | 0 | 114.4 | ||
| 1090 | G | 53 | Low | 50.9 | Low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1091 | V | 50.1 | Low | 50.1 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 142.4 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1092 | P | 55.3 | Low | 49.4 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 151.6 | -168.3 | -23.1 | 35.3 | 0 | 0 | 0 | 116.7 | ||
| 1093 | G | 58.9 | Low | 49.1 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 150.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1094 | N | 41.2 | Very low | 48.6 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 120.7 | -171.4 | -83.8 | -60 | 0 | 0 | 0 | 114.9 | ||
| 1095 | K | 43.5 | Very low | 48 | Very low | 189 Ų | 189 | 125.2 Ų | 125.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | 59.1 | 126.7 | 140.8 | -166 | 177.8 | -174.6 | 177.9 | 0 | 121.2 | ||||
| 1096 | G | 53.3 | Low | 47.7 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 130.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1097 | P | 49 | Very low | 46.8 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -117.7 | 154.3 | -173.6 | 40.7 | -31.8 | 0 | 0 | 0 | 116 | ||||
| 1098 | V | 45.6 | Very low | 46.1 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 74.7 | 134.7 | 165.8 | -176 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1099 | G | 46.4 | Very low | 45.5 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 171.1 | 84 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1100 | D | 44.4 | Very low | 44.7 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -100.5 | 168.9 | 178.2 | -71.8 | -60.6 | 0 | 0 | 0 | 112.5 | ||||
| 1101 | E | 41.4 | Very low | 44 | Very low | 205 Ų | 205 | 122.2 Ų | 122.2 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | 76.8 | 127.1 | 174 | -158.7 | 168.2 | -132.2 | 0 | 0 | 116.1 | ||||
| 1102 | G | 38 | Very low | 43.2 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | cis | -173.3 | 179.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1103 | E | 43.8 | Very low | 42.5 | Very low | 191 Ų | 191 | 126.4 Ų | 126.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -88.4 | -177.7 | 173.1 | -69.8 | -155.1 | 129.2 | 0 | 0 | 111.9 | ||||
| 1104 | P | 48.5 | Very low | 41.3 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | cis | -148.1 | -179.2 | 11.5 | 44.7 | -24.5 | 0 | 0 | 0 | 120 | ||||
| 1105 | G | 36.9 | Very low | 41 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 115.6 | 149.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1106 | S | 38.6 | Very low | 40.8 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | cis | -157.6 | -161.4 | -9.9 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1107 | R | 38.8 | Very low | 40.2 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 58% | 0.581 | 81% | 0.81 | S | S | * | * | trans | -121.4 | 150.7 | -146.4 | -169.1 | -151 | -166.8 | 165.5 | 0.8 | 118.3 | D765 | D765-R1107 VanDerWaalsContact C-CZ 3.45Å; D765-R1107 WeakPolarHBondContact O-CD 3.44Å; D765-R1107 PolarHBondContact O-NE 2.87Å; D765-R1107 VanDerWaalsContact O-NE 3.14Å; D765-R1107 PolarHBondContact O-NH1 3.48Å; D765-R1107 IonicContact OD2-CZ 2.71Å; D765-R1107 IonicContact OD2-NH1 2.71Å; D765-R1107 PolarHBondContact OD2-NH1 3.17Å; D765-R1107 IonicContact OD2-NH2 3.67Å; D765-R1107 PolarHBondContact OD2-NH2 2.83Å | ||
| 1108 | G | 35.1 | Very low | 39.8 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 160.7 | 148.7 | 150 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1109 | A | 35.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | cis | -156 | -178.8 | -9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1110 | S | 41.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -121.3 | 157.9 | -158.2 | -56.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1111 | G | 39.2 | Very low | 40 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 172.5 | 162.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1112 | N | 33.5 | Very low | 40.5 | Very low | 171 Ų | 171 | 117.6 Ų | 117.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | cis | -154.9 | -178.5 | -10.2 | -162.7 | 3.8 | 0 | 0 | 0 | 109.7 | ||||
| 1113 | M | 39.2 | Very low | 41.1 | Very low | 172 Ų | 172 | 117.3 Ų | 117.3 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -102.5 | 152.5 | -166.6 | -167.9 | -175.6 | -62.8 | 0 | 0 | 116 | ||||
| 1114 | G | 35.4 | Very low | 41.1 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -162.2 | 147 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1115 | L | 33.2 | Very low | 41.4 | Very low | 167 Ų | 167 | 114.1 Ų | 114.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -100.3 | 148.8 | -165.2 | -58.7 | 111.6 | 0 | 0 | 0 | 115.2 | ||||
| 1116 | T | 40.8 | Very low | 42 | Very low | 143 Ų | 143 | 114 Ų | 114 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -150.9 | 131.8 | 165.4 | -53.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1117 | G | 40.1 | Very low | 42.3 | Very low | 65 Ų | 65 | 115.4 Ų | 115.4 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 83.2 | 136.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1118 | P | 39.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 113.9 Ų | 113.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 157.3 | 160.9 | 34.3 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 1119 | P | 54.6 | Low | 43.8 | Very low | 112 Ų | 112 | 114 Ų | 114 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139.5 | 172.2 | -17.2 | 31.5 | 0 | 0 | 0 | 111.4 | ||
| 1120 | G | 47.6 | Very low | 44.6 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 162.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1121 | D | 39.7 | Very low | 45.7 | Very low | 169 Ų | 169 | 116.1 Ų | 116.1 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.3 | 179.9 | -60 | -70.4 | 0 | 0 | 0 | 112.8 | G1123 | D1121-G1123 PolarHBondContact O-N 3.11Š|
| 1122 | G | 50.5 | Low | 46.2 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 119.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1123 | G | 51.7 | Low | 46.9 | Very low | 65 Ų | 65 | 113.8 Ų | 113.8 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 150.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1121 | D1121-G1123 PolarHBondContact O-N 3.11Š|
| 1124 | P | 42.7 | Very low | 47.7 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 150.3 | -179.8 | 26 | -34.8 | 0 | 0 | 0 | 111.1 | G1126 | P1124-G1126 PolarHBondContact O-N 2.71Š|
| 1125 | P | 55.6 | Low | 48.5 | Very low | 128 Ų | 128 | 117.2 Ų | 117.2 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 131.2 | 175.3 | -25.6 | 34.7 | 0 | 0 | 0 | 111.3 | L1127 | P1125-L1127 PolarHBondContact O-N 3.36Š|
| 1126 | G | 48.6 | Very low | 49.5 | Very low | 74 Ų | 74 | 116.1 Ų | 116.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1124 | P1124-G1126 PolarHBondContact O-N 2.71Š|
| 1127 | L | 46 | Very low | 50.2 | Low | 165 Ų | 165 | 118.4 Ų | 118.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.6 | 178.2 | -68.3 | 170.4 | 0 | 0 | 0 | 110.8 | P1125 G1129 | P1125-L1127 PolarHBondContact O-N 3.36Å; L1127-G1129 PolarHBondContact O-N 2.71Å |
| 1128 | P | 56.9 | Low | 51.1 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 135.9 | 173.5 | -25.3 | 34.7 | 0 | 0 | 0 | 111.4 | I1130 | P1128-I1130 PolarHBondContact O-N 2.6Š|
| 1129 | G | 47 | Very low | 51.8 | Low | 74 Ų | 74 | 118.1 Ų | 118.1 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1127 | L1127-G1129 PolarHBondContact O-N 2.71Š|
| 1130 | I | 54.1 | Low | 51.9 | Low | 162 Ų | 162 | 119 Ų | 119 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.8 | -178.9 | -54.3 | 169.4 | 0 | 0 | 0 | 109.5 | P1128 G1132 | P1128-I1130 PolarHBondContact O-N 2.6Å; I1130-G1132 PolarHBondContact O-N 2.89Å |
| 1131 | P | 62.8 | Low | 52.2 | Low | 118 Ų | 118 | 119 Ų | 119 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130 | 175.5 | -27.3 | 35.4 | 0 | 0 | 0 | 111.9 | S1133 | P1131-S1133 PolarHBondContact O-N 3.13Š|
| 1132 | G | 49.4 | Very low | 52.6 | Low | 77 Ų | 77 | 120.3 Ų | 120.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1130 | I1130-G1132 PolarHBondContact O-N 2.89Š|
| 1133 | S | 49.3 | Very low | 52.5 | Low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.3 | -175.8 | 48 | 0 | 0 | 0 | 0 | 112 | P1131 G1135 | P1131-S1133 PolarHBondContact O-N 3.13Å; S1133-G1135 PolarHBondContact O-N 3.39Å |
| 1134 | R | 55.2 | Low | 52.4 | Low | 248 Ų | 248 | 123.2 Ų | 123.2 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.2 | 179.6 | -178.4 | 177.5 | -178.7 | 168.5 | -0.3 | 109.8 | ||
| 1135 | G | 53.5 | Low | 52.6 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 145.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1133 | S1133-G1135 PolarHBondContact O-N 3.39Š|
| 1136 | T | 52.9 | Low | 51.9 | Low | 143 Ų | 143 | 128.8 Ų | 128.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.2 | -178.9 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | G1138 | T1136-G1138 PolarHBondContact O-N 3.06Š|
| 1137 | Q | 56 | Low | 52.1 | Low | 192 Ų | 192 | 128.5 Ų | 128.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.9 | 173.5 | -174.3 | 170.6 | 0 | 0 | 0 | 109.2 | ||
| 1138 | G | 59.7 | Low | 52.1 | Low | 54 Ų | 54 | 129.4 Ų | 129.4 | 56% | 0.557 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60 | 154.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1136 | T1136-G1138 PolarHBondContact O-N 3.06Š|
| 1139 | P | 53.9 | Low | 51.5 | Low | 124 Ų | 124 | 128.3 Ų | 128.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 145.7 | -176.8 | 25.3 | -34.6 | 0 | 0 | 0 | 111.4 | G1141 | P1139-G1141 PolarHBondContact O-N 3.49Š|
| 1140 | P | 56.2 | Low | 51.7 | Low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.7 | 174.5 | -24.6 | 34.4 | 0 | 0 | 0 | 111.1 | ||
| 1141 | G | 54.4 | Low | 51.4 | Low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | P1139 | P1139-G1141 PolarHBondContact O-N 3.49Š|
| 1142 | E | 48 | Very low | 50.9 | Low | 198 Ų | 198 | 128.9 Ų | 128.9 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 145.7 | -177.5 | -64.7 | -171.4 | 127.4 | 0 | 0 | 112.5 | G1144 | E1142-G1144 PolarHBondContact O-N 3.27Š|
| 1143 | V | 48.5 | Very low | 50.9 | Low | 137 Ų | 137 | 128.7 Ų | 128.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -71.7 | 97 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | L1145 | V1143-L1145 PolarHBondContact O-N 2.97Š| ||
| 1144 | G | 50.5 | Low | 50.9 | Low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -56.3 | 126.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1142 K1146 | E1142-G1144 PolarHBondContact O-N 3.27Å; G1144-K1146 PolarHBondContact O-N 3.24Å | ||
| 1145 | L | 46.5 | Very low | 51.1 | Low | 173 Ų | 173 | 123.4 Ų | 123.4 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -64.3 | 126.6 | -179.4 | -73.9 | 170.8 | 0 | 0 | 0 | 110.9 | V1143 G1147 | V1143-L1145 PolarHBondContact O-N 2.97Å; L1145-G1147 PolarHBondContact O-N 3.3Å; L1145-G1147 VanDerWaalsContact O-N 3.12Å | ||
| 1146 | K | 40.8 | Very low | 51.1 | Low | 188 Ų | 188 | 123.2 Ų | 123.2 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -31 | 104.9 | 178.3 | -179.4 | -169.2 | 173.8 | -166.9 | 0 | 114.5 | G1144 | G1144-K1146 PolarHBondContact O-N 3.24Š| ||
| 1147 | G | 53.3 | Low | 50.7 | Low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 150.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1145 | L1145-G1147 PolarHBondContact O-N 3.3Å; L1145-G1147 VanDerWaalsContact O-N 3.12Å |
| 1148 | E | 46.1 | Very low | 50.8 | Low | 184 Ų | 184 | 121.2 Ų | 121.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 154.9 | -173.6 | -60.3 | -167.2 | 119.5 | 0 | 0 | 113.3 | G1150 | E1148-G1150 PolarHBondContact O-N 2.85Š|
| 1149 | A | 43.5 | Very low | 50.4 | Low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 118.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1150 | G | 51.5 | Low | 50.3 | Low | 74 Ų | 74 | 124.6 Ų | 124.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 139.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1148 | E1148-G1150 PolarHBondContact O-N 2.85Š|
| 1151 | L | 48.3 | Very low | 50.8 | Low | 170 Ų | 170 | 124.1 Ų | 124.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 147.4 | 179.4 | -70.5 | 168.1 | 0 | 0 | 0 | 111.6 | ||
| 1152 | P | 50.9 | Low | 51.1 | Low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 132.1 | -170.8 | 27.5 | -35.2 | 0 | 0 | 0 | 113.6 | ||
| 1153 | G | 49.2 | Very low | 51.5 | Low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 149.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1154 | V | 50.2 | Low | 52.2 | Low | 137 Ų | 137 | 122.2 Ų | 122.2 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 138.6 | -172.1 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | G1156 | V1154-G1156 PolarHBondContact O-N 2.83Š|
| 1155 | P | 58.4 | Low | 52.9 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129.9 | 172.7 | -24.8 | 34.9 | 0 | 0 | 0 | 113.2 | ||
| 1156 | G | 53.5 | Low | 53.6 | Low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 153.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1154 | V1154-G1156 PolarHBondContact O-N 2.83Š|
| 1157 | P | 46.4 | Very low | 54.7 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 149.5 | -175.1 | 29.2 | -35.4 | 0 | 0 | 0 | 113.4 | G1159 | P1157-G1159 PolarHBondContact O-N 3.01Š|
| 1158 | I | 57.6 | Low | 54.8 | Low | 158 Ų | 158 | 115.3 Ų | 115.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 122 | -178 | -64.9 | 170.4 | 0 | 0 | 0 | 111 | ||
| 1159 | G | 51.8 | Low | 55.2 | Low | 66 Ų | 66 | 114.9 Ų | 114.9 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 131.1 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1157 P1161 | P1157-G1159 PolarHBondContact O-N 3.01Å; G1159-P1161 WeakPolarHBondContact O-CD 3.29Å |
| 1160 | Q | 50.2 | Low | 55.7 | Low | 184 Ų | 184 | 119 Ų | 119 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.1 | -173 | -65.4 | 177.2 | -6.9 | 0 | 0 | 112.3 | ||
| 1161 | P | 67.6 | Low | 56.3 | Low | 119 Ų | 119 | 118 Ų | 118 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 142.5 | 156.8 | -20.7 | 33.6 | 0 | 0 | 0 | 110.1 | G1159 | G1159-P1161 WeakPolarHBondContact O-CD 3.29Š|
| 1162 | G | 60 | Low | 56.9 | Low | 64 Ų | 64 | 116.3 Ų | 116.3 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 156 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1164 | G1162-M1164 PolarHBondContact O-N 2.93Š|
| 1163 | P | 57.8 | Low | 57.2 | Low | 135 Ų | 135 | 118.1 Ų | 118.1 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60 | 123.7 | -177.1 | 24.7 | -34 | 0 | 0 | 0 | 111.2 | G1165 | P1163-G1165 PolarHBondContact O-N 2.98Š|
| 1164 | M | 62.1 | Low | 57.4 | Low | 166 Ų | 166 | 117.4 Ų | 117.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.6 | 169.6 | -177.5 | 170.2 | 65.5 | 0 | 0 | 109.3 | G1162 | G1162-M1164 PolarHBondContact O-N 2.93Š|
| 1165 | G | 64.8 | Low | 57.8 | Low | 51 Ų | 51 | 119.9 Ų | 119.9 | 53% | 0.526 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 147.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1163 | P1163-G1165 PolarHBondContact O-N 2.98Š|
| 1166 | P | 61.8 | Low | 58.1 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 129 | -177.8 | 24.3 | -33.7 | 0 | 0 | 0 | 109.9 | G1168 | P1166-G1168 PolarHBondContact O-N 3.07Š|
| 1167 | P | 62.8 | Low | 58.4 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136.2 | 173.9 | -26.1 | 34.8 | 0 | 0 | 0 | 110.7 | I1169 | P1167-I1169 PolarHBondContact O-N 3.49Š|
| 1168 | G | 56.2 | Low | 59.2 | Low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1166 Q1170 | P1166-G1168 PolarHBondContact O-N 3.07Å; G1168-Q1170 PolarHBondContact O-N 3.24Å |
| 1169 | I | 54 | Low | 59.4 | Low | 174 Ų | 174 | 117.6 Ų | 117.6 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | trans | -59.1 | 98.3 | 179.3 | 40.1 | 167.8 | 0 | 0 | 0 | 110.6 | P1167 G1171 | P1167-I1169 PolarHBondContact O-N 3.49Å; I1169-G1171 PolarHBondContact O-N 2.97Å | ||
| 1170 | Q | 55.6 | Low | 59.6 | Low | 186 Ų | 186 | 117.7 Ų | 117.7 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.3 | 169.3 | -166.8 | 167.8 | 15.7 | 0 | 0 | 107.8 | G1168 | G1168-Q1170 PolarHBondContact O-N 3.24Š|
| 1171 | G | 63.9 | Low | 59.7 | Low | 53 Ų | 53 | 116.6 Ų | 116.6 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -59 | 159.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1169 L1173 | I1169-G1171 PolarHBondContact O-N 2.97Å; G1171-L1173 PolarHBondContact O-N 2.87Å |
| 1172 | P | 59.3 | Low | 59.4 | Low | 135 Ų | 135 | 118.7 Ų | 118.7 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 128.7 | 178.2 | 23.8 | -33.8 | 0 | 0 | 0 | 109.9 | G1174 | P1172-G1174 PolarHBondContact O-N 2.89Å; P1172-G1174 VanDerWaalsContact O-N 3.12Å |
| 1173 | L | 57.6 | Low | 59.3 | Low | 161 Ų | 161 | 118.3 Ų | 118.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.7 | 175 | -177.6 | 67.4 | 0 | 0 | 0 | 107.9 | G1171 | G1171-L1173 PolarHBondContact O-N 2.87Š|
| 1174 | G | 54.5 | Low | 59.2 | Low | 58 Ų | 58 | 117.7 Ų | 117.7 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1172 | P1172-G1174 PolarHBondContact O-N 2.89Å; P1172-G1174 VanDerWaalsContact O-N 3.12Å |
| 1175 | E | 58.7 | Low | 59.3 | Low | 189 Ų | 189 | 115.9 Ų | 115.9 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.1 | 177.1 | -64.8 | -173.5 | 134.3 | 0 | 0 | 109.5 | G1177 | E1175-G1177 PolarHBondContact O-N 2.69Å; E1175-G1177 VanDerWaalsContact O-N 3.14Å |
| 1176 | P | 64.5 | Low | 58.6 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123.5 | 173.1 | -24.5 | 34.2 | 0 | 0 | 0 | 109.3 | ||
| 1177 | G | 59.7 | Low | 58.1 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 145.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1175 | E1175-G1177 PolarHBondContact O-N 2.69Å; E1175-G1177 VanDerWaalsContact O-N 3.14Å |
| 1178 | P | 62.8 | Low | 57.8 | Low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.9 | 176.6 | 24.9 | -34.1 | 0 | 0 | 0 | 109.2 | G1180 | P1178-G1180 PolarHBondContact O-N 2.86Å; P1178-G1180 VanDerWaalsContact O-N 3.14Å |
| 1179 | P | 61.7 | Low | 57.2 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 125.5 | 177.1 | -27.2 | 34.9 | 0 | 0 | 0 | 110 | N1181 | P1179-N1181 PolarHBondContact O-N 3.15Š|
| 1180 | G | 56 | Low | 57 | Low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 132.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P1178 D1182 | P1178-G1180 PolarHBondContact O-N 2.86Å; P1178-G1180 VanDerWaalsContact O-N 3.14Å; G1180-D1182 PolarHBondContact O-N 2.76Å |
| 1181 | N | 52.1 | Low | 57 | Low | 161 Ų | 161 | 112.2 Ų | 112.2 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.4 | 174.2 | -65.7 | -37.3 | 0 | 0 | 0 | 108.6 | P1179 G1183 | P1179-N1181 PolarHBondContact O-N 3.15Å; N1181-G1183 PolarHBondContact O-N 3.23Å; N1181-G1183 VanDerWaalsContact O-N 3.15Å |
| 1182 | D | 61.8 | Low | 55.9 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 124.4 | 175.8 | -68.8 | -55.1 | 0 | 0 | 0 | 109.3 | G1180 | G1180-D1182 PolarHBondContact O-N 2.76Š|
| 1183 | G | 56.8 | Low | 55.1 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 146.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | N1181 | N1181-G1183 PolarHBondContact O-N 3.23Å; N1181-G1183 VanDerWaalsContact O-N 3.15Å |
| 1184 | P | 57.1 | Low | 54.2 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 133.8 | 173.2 | 24.9 | -33.7 | 0 | 0 | 0 | 108.4 | G1186 | P1184-G1186 PolarHBondContact O-N 3.03Å; P1184-G1186 VanDerWaalsContact O-N 3.11Å |
| 1185 | P | 64 | Low | 53.2 | Low | 128 Ų | 128 | 109.5 Ų | 109.5 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 124.6 | 179.7 | -29 | 35.2 | 0 | 0 | 0 | 109.8 | A1187 | P1185-A1187 PolarHBondContact O-N 3.43Š|
| 1186 | G | 49.6 | Very low | 52.1 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 138.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P1184 I1188 | P1184-G1186 PolarHBondContact O-N 3.03Å; P1184-G1186 VanDerWaalsContact O-N 3.11Å; G1186-I1188 PolarHBondContact O-N 3.06Å |
| 1187 | A | 51.3 | Low | 50.6 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 132.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P1185 G1189 | P1185-A1187 PolarHBondContact O-N 3.43Å; A1187-G1189 PolarHBondContact O-N 2.83Å |
| 1188 | I | 56.7 | Low | 49.2 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -55.1 | 112.2 | 179.9 | -62.4 | 174.1 | 0 | 0 | 0 | 106.4 | G1186 L1190 | G1186-I1188 PolarHBondContact O-N 3.06Å; I1188-L1190 PolarHBondContact O-N 2.81Å | ||
| 1189 | G | 44 | Very low | 48 | Very low | 59 Ų | 59 | 112.4 Ų | 112.4 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | -54.6 | 133.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A1187 | A1187-G1189 PolarHBondContact O-N 2.83Š| ||
| 1190 | L | 49.6 | Very low | 46.9 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 62% | 0.623 | 70% | 0.704 | S | S | * | * | trans | -47.3 | 134.8 | 170.8 | -72.7 | 164 | 0 | 0 | 0 | 108.1 | D132 I1188 G1192 | D132-L1190 HydrophobicContact CB-CD1 4.12Å; D132-L1190 VanDerWaalsContact CG-CD1 3.46Å; D132-L1190 WeakPolarHBondContact OD2-CD1 3.46Å; I1188-L1190 PolarHBondContact O-N 2.81Å; L1190-G1192 PolarHBondContact O-N 2.79Å | ||
| 1191 | P | 55.2 | Low | 46.1 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -52 | 113.7 | 176.9 | -25.3 | 34 | 0 | 0 | 0 | 108.3 | ||||
| 1192 | G | 40.8 | Very low | 45.5 | Very low | 56 Ų | 56 | 111.8 Ų | 111.8 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | trans | -53.9 | 143 | -175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1190 P1194 | L1190-G1192 PolarHBondContact O-N 2.79Å; G1192-P1194 VanDerWaalsContact O-N 3.17Å | ||
| 1193 | P | 43.3 | Very low | 44.7 | Very low | 120 Ų | 120 | 106.2 Ų | 106.2 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | trans | -48.7 | 128.7 | -179.8 | 21.2 | -32.9 | 0 | 0 | 0 | 108.3 | G1195 | P1193-G1195 PolarHBondContact O-N 2.97Š| ||
| 1194 | P | 38.2 | Very low | 44.2 | Very low | 123 Ų | 123 | 104.8 Ų | 104.8 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | trans | -57.4 | 111.4 | -162.4 | 21.3 | -33.5 | 0 | 0 | 0 | 109.3 | G1192 E1196 | G1192-P1194 VanDerWaalsContact O-N 3.17Å; P1194-E1196 PolarHBondContact O-N 2.88Å | ||
| 1195 | G | 34.1 | Very low | 43.3 | Very low | 52 Ų | 52 | 105.2 Ų | 105.2 | 54% | 0.536 | 63% | 0.631 | S | S | . | * | trans | -51.9 | 111.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 112 | P1193 K1198 | P1193-G1195 PolarHBondContact O-N 2.97Å; G1195-K1198 PolarHBondContact O-N 2.99Å | ||
| 1196 | E | 35.3 | Very low | 42 | Very low | 98 Ų | 98 | 102.3 Ų | 102.3 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | 138.8 | 168 | -54.8 | -162.8 | 122.1 | 0 | 0 | 107.2 | P1194 H1305 R1307 | P1194-E1196 PolarHBondContact O-N 2.88Å; E1196-H1305 IonicContact OE1-CE1 3.47Å; E1196-H1305 PolarHBondContact OE1-CE1 2.84Å; E1196-H1305 IonicContact OE1-NE2 3.09Å; E1196-H1305 IonicContact OE2-CE1 3.11Å; E1196-H1305 IonicContact OE2-NE2 3.27Å; E1196-R1307 IonicContact OE1-CZ 3.79Å; E1196-R1307 IonicContact OE1-NE 2.8Å; E1196-R1307 PolarHBondContact OE1-NE 3.23Å; E1196-R1307 IonicContact OE1-NH2 3.83Å; E1196-R1307 PolarHBondContact OE1-NH2 3.37Å |
| 1197 | F | 33.1 | Very low | 41.1 | Very low | 182 Ų | 182 | 108.4 Ų | 108.4 | 80% | 0.798 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.1 | 39 | -155.7 | -48.4 | -75.1 | 0 | 0 | 0 | 116.4 | T1199 | F1197-T1199 VanDerWaalsContact C-N 3.33Å; F1197-T1199 PolarHBondContact O-N 2.92Å |
| 1198 | K | 30.5 | Very low | 40.3 | Very low | 181 Ų | 181 | 114 Ų | 114 | 79% | 0.787 | 62% | 0.616 | S | S | * | * | trans | -91.6 | 67.4 | 149.6 | -155.9 | 176.7 | -173.2 | -175.4 | 0 | 111.7 | G1195 D1200 | G1195-K1198 PolarHBondContact O-N 2.99Å; K1198-D1200 VanDerWaalsContact C-N 3.34Å; K1198-D1200 PolarHBondContact O-N 3.27Å | ||
| 1199 | T | 37.6 | Very low | 39.1 | Very low | 91 Ų | 91 | 117 Ų | 117 | 56% | 0.558 | 62% | 0.616 | S | S | * | * | trans | -64.6 | 94.8 | 163 | 38.2 | 0 | 0 | 0 | 0 | 108.9 | F1197 Y1201 | F1197-T1199 VanDerWaalsContact C-N 3.33Å; F1197-T1199 PolarHBondContact O-N 2.92Å; T1199-Y1201 WeakPolarHBondContact O-CD2 3.45Å; T1199-Y1201 PolarHBondContact O-N 3.03Å; T1199-Y1201 WeakPolarHBondContact OG1-CE2 3.43Å | ||
| 1200 | D | 38 | Very low | 38.5 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 44% | 0.444 | 62% | 0.616 | S | S | . | * | trans | -72.8 | 77.1 | 175.4 | -168.2 | -8.7 | 0 | 0 | 0 | 109.6 | K1198 T1202 S1203 | K1198-D1200 VanDerWaalsContact C-N 3.34Å; K1198-D1200 PolarHBondContact O-N 3.27Å; D1200-T1202 PolarHBondContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact OD1-CB 3.32Å; D1200-T1202 WeakPolarHBondContact OD1-CB 3.34Å; D1200-T1202 PolarHBondContact OD1-N 3.07Å; D1200-T1202 PolarHBondContact OD1-OG1 2.85Å; D1200-S1203 VanDerWaalsContact O-CB 3.28Å; D1200-S1203 WeakPolarHBondContact O-CB 3.27Å; D1200-S1203 PolarHBondContact O-N 3.42Å; D1200-S1203 PolarHBondContact O-OG 3.18Å; D1200-S1203 PolarHBondContact OD1-N 2.79Å | ||
| 1201 | Y | 38.3 | Very low | 37.5 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -56 | -28.3 | 178 | -78.8 | -83.8 | 0 | 0 | 0 | 112.1 | T1199 S1203 L1204 F1205 | T1199-Y1201 WeakPolarHBondContact O-CD2 3.45Å; T1199-Y1201 PolarHBondContact O-N 3.03Å; T1199-Y1201 WeakPolarHBondContact OG1-CE2 3.43Å; Y1201-S1203 PolarHBondContact O-N 3.12Å; Y1201-L1204 HydrophobicContact CD1-CD1 3.85Å; Y1201-L1204 WeakPolarHBondContact O-CB 3.42Å; Y1201-L1204 PolarHBondContact O-N 3.27Å; Y1201-F1205 WeakPolarHBondContact O-CD2 3.36Å |
| 1202 | T | 41.2 | Very low | 36.3 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -62.4 | -18.7 | 171.6 | 10.5 | 0 | 0 | 0 | 0 | 114 | D1200 S1206 | D1200-T1202 PolarHBondContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact OD1-CB 3.32Å; D1200-T1202 WeakPolarHBondContact OD1-CB 3.34Å; D1200-T1202 PolarHBondContact OD1-N 3.07Å; D1200-T1202 PolarHBondContact OD1-OG1 2.85Å; T1202-S1206 PolarHBondContact O-OG 3.43Å |
| 1203 | S | 43.9 | Very low | 35.8 | Very low | 47 Ų | 47 | 125.5 Ų | 125.5 | 33% | 0.329 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -78.4 | -19.8 | 174.3 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | D1200 Y1201 F1205 S1206 | D1200-S1203 VanDerWaalsContact O-CB 3.28Å; D1200-S1203 WeakPolarHBondContact O-CB 3.27Å; D1200-S1203 PolarHBondContact O-N 3.42Å; D1200-S1203 PolarHBondContact O-OG 3.18Å; D1200-S1203 PolarHBondContact OD1-N 2.79Å; Y1201-S1203 PolarHBondContact O-N 3.12Å; S1203-F1205 VanDerWaalsContact C-N 3.28Å; S1203-F1205 PolarHBondContact O-N 2.65Å; S1203-S1206 WeakPolarHBondContact O-CB 3.33Å; S1203-S1206 PolarHBondContact O-N 3.5Å |
| 1204 | L | 45.5 | Very low | 35 | Very low | 26 Ų | 26 | 123.3 Ų | 123.3 | 14% | 0.136 | 64% | 0.636 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -28.7 | 174.6 | -64.4 | 163.9 | 0 | 0 | 0 | 112.1 | Y1201 S1206 Q1260 V1261 | Y1201-L1204 HydrophobicContact CD1-CD1 3.85Å; Y1201-L1204 WeakPolarHBondContact O-CB 3.42Å; Y1201-L1204 PolarHBondContact O-N 3.27Å; L1204-S1206 VanDerWaalsContact C-N 3.29Å; L1204-Q1260 HydrophobicContact CD2-CB 3.91Å; L1204-Q1260 PolarHBondContact O-NE2 3.41Å; L1204-Q1260 VanDerWaalsContact O-NE2 3.09Å; L1204-Q1260 PolarHBondContact O-OE1 3.07Å; L1204-V1261 HydrophobicContact CD1-CG2 3.91Å |
| 1205 | F | 39.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 8.8 | 175.5 | -58.6 | -81.6 | 0 | 0 | 0 | 112.9 | Y1201 S1203 A1257 | Y1201-F1205 WeakPolarHBondContact O-CD2 3.36Å; S1203-F1205 VanDerWaalsContact C-N 3.28Å; S1203-F1205 PolarHBondContact O-N 2.65Å; F1205-A1257 HydrophobicContact CD1-CB 3.78Å; F1205-A1257 HydrophobicContact CE1-CB 3.41Å; F1205-A1257 VanDerWaalsContact CE1-CB 3.41Å; F1205-A1257 HydrophobicContact CZ-CB 3.94Å |
| 1206 | S | 36.7 | Very low | 34.7 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 48% | 0.476 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -108.2 | 111.6 | 176.5 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | T1202 S1203 L1204 R1208 | T1202-S1206 PolarHBondContact O-OG 3.43Å; S1203-S1206 WeakPolarHBondContact O-CB 3.33Å; S1203-S1206 PolarHBondContact O-N 3.5Å; L1204-S1206 VanDerWaalsContact C-N 3.29Å; S1206-R1208 VanDerWaalsContact C-N 3.34Å; S1206-R1208 PolarHBondContact O-N 2.8Å |
| 1207 | R | 31.4 | Very low | 34.1 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 74% | 0.736 | 66% | 0.657 | S | S | * | * | trans | -57.7 | 84.4 | -177.8 | -71.6 | -175.7 | 176.8 | -173.5 | -3.3 | 113.6 | D1253 | R1207-D1253 IonicContact CZ-OD1 3.88Å; R1207-D1253 IonicContact NE-OD1 3.04Å; R1207-D1253 PolarHBondContact NE-OD1 3.39Å; R1207-D1253 IonicContact NE-OD2 2.7Å; R1207-D1253 IonicContact NH2-OD1 3.17Å; R1207-D1253 PolarHBondContact NH2-OD1 3.08Å; R1207-D1253 IonicContact NH2-OD2 2.82Å | ||
| 1208 | R | 34.3 | Very low | 34 | Very low | 218 Ų | 218 | 127.8 Ų | 127.8 | 82% | 0.823 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 128 | 158.3 | -66.9 | -171 | 178.9 | -153 | 2.4 | 107.9 | S1206 | S1206-R1208 VanDerWaalsContact C-N 3.34Å; S1206-R1208 PolarHBondContact O-N 2.8Å |
| 1209 | R | 31.5 | Very low | 34 | Very low | 232 Ų | 232 | 127.3 Ų | 127.3 | 88% | 0.875 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 133.1 | 169.7 | -66 | 178.7 | 178.8 | 165.8 | 0.5 | 108.5 | T1211 | R1209-T1211 PolarHBondContact O-N 3.19Å; R1209-T1211 VanDerWaalsContact O-N 3.13Å |
| 1210 | D | 30.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 60% | 0.604 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 118.4 | 177.3 | -64.1 | -95.5 | 0 | 0 | 0 | 110.9 | R1263 | D1210-R1263 IonicContact OD1-CZ 3.48Å; D1210-R1263 IonicContact OD1-NH1 3.5Å; D1210-R1263 PolarHBondContact OD1-NH1 3.36Å; D1210-R1263 IonicContact OD1-NH2 3.17Å |
| 1211 | T | 29 | Very low | 33.3 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -126.6 | 35.2 | 162.1 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | R1209 V1213 | R1209-T1211 PolarHBondContact O-N 3.19Å; R1209-T1211 VanDerWaalsContact O-N 3.13Å; T1211-V1213 VanDerWaalsContact C-N 3.27Å; T1211-V1213 PolarHBondContact O-N 2.8Å | ||
| 1212 | D | 29.7 | Very low | 32.9 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 89% | 0.888 | 70% | 0.699 | S | S | * | * | trans | -92.9 | 63 | 158.1 | -90.2 | -48.8 | 0 | 0 | 0 | 109.7 | ||||
| 1213 | V | 30.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | trans | -101 | 115.5 | 162.7 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | T1211 M1215 | T1211-V1213 VanDerWaalsContact C-N 3.27Å; T1211-V1213 PolarHBondContact O-N 2.8Å; V1213-M1215 PolarHBondContact O-N 2.58Å | ||
| 1214 | G | 26.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | -56.1 | 132.9 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1215 | M | 28.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -106.9 | 133.5 | 167.5 | -64.1 | -149.7 | -137.8 | 0 | 0 | 110.8 | V1213 | V1213-M1215 PolarHBondContact O-N 2.58Š| ||
| 1216 | M | 35.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | cis | -143.5 | 146.2 | -28.6 | -83.4 | -164 | -179.1 | 0 | 0 | 108 | ||||
| 1217 | Q | 24.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 58% | 0.584 | 78% | 0.778 | S | S | * | * | trans | -145.5 | 76.1 | 159.6 | -167.1 | -178.3 | 95.4 | 0 | 0 | 109.3 | K1293 | Q1217-K1293 VanDerWaalsContact OE1-CD 3.31Å; Q1217-K1293 VanDerWaalsContact OE1-CE 3.3Å | ||
| 1218 | A | 31 | Very low | 30.8 | Very low | 90 Ų | 90 | 156 Ų | 156 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -152.7 | 100 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1220 | A1218-E1220 PolarHBondContact O-N 3.17Š| ||
| 1219 | D | 29 | Very low | 30.6 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 104.7 | 163.6 | -70.7 | -65.7 | 0 | 0 | 0 | 110.4 | ||||
| 1220 | E | 28.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 153.7 Ų | 153.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 166.6 | 132.8 | 119.5 | -101.5 | -114.8 | 95.8 | 0 | 0 | 111.7 | A1218 | A1218-E1220 PolarHBondContact O-N 3.17Š| |||
| 1221 | P | 32.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -100.9 | 126.8 | -179.1 | 35.4 | -30.5 | 0 | 0 | 0 | 113.6 | ||||
| 1222 | R | 31.9 | Very low | 30.6 | Very low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -150.2 | 90.2 | 159.9 | -118.7 | 158.9 | -168.1 | -160.9 | 3.1 | 118.5 | ||||
| 1223 | N | 30.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 92.8 | 126.5 | 123.8 | -157.6 | 2.3 | 0 | 0 | 0 | 120.3 | |||||
| 1224 | R | 31.7 | Very low | 31.1 | Very low | 231 Ų | 231 | 157.6 Ų | 157.6 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | 79.1 | 119.4 | 174 | -48 | 177.1 | -177 | -174.2 | -0.5 | 114.4 | ||||
| 1225 | G | 31.3 | Very low | 31.3 | Very low | 74 Ų | 74 | 158.3 Ų | 158.3 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | cis | 109.9 | 133.9 | 12.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1226 | R | 34.9 | Very low | 31.6 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | cis | -157.1 | 151 | 18.6 | -82.1 | 177.4 | 163.7 | -173.8 | -1.8 | 113.2 | ||||
| 1227 | R | 32.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | trans | 51.6 | 100.3 | 137.3 | -62.3 | -179.5 | 178.7 | -174 | -3 | 122.8 | ||||
| 1228 | I | 32.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 153 Ų | 153 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | 17.6 | 123 | 121.3 | -32.8 | 171.1 | 0 | 0 | 0 | 119.1 | |||||
| 1229 | R | 30.7 | Very low | 32.9 | Very low | 185 Ų | 185 | 156 Ų | 156 | 70% | 0.698 | 72% | 0.723 | S | S | * | * | 171.5 | 121.6 | 106.1 | -96.6 | -168.3 | 173.7 | -165.6 | 0.1 | 116.1 | E422 | E422-R1229 WeakPolarHBondContact OE1-CA 3.35Å; E422-R1229 PolarHBondContact OE1-N 3.46Å | |||
| 1230 | R | 29 | Very low | 33.9 | Very low | 218 Ų | 218 | 150.6 Ų | 150.6 | 82% | 0.823 | 69% | 0.694 | S | S | * | * | trans | 48.9 | 138.4 | 135.6 | -72.6 | -173.7 | 179.8 | -177.5 | -0.9 | 118.3 | ||||
| 1231 | S | 30.5 | Very low | 34.7 | Very low | 94 Ų | 94 | 146.5 Ų | 146.5 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | cis | -174.2 | 167.4 | 30.3 | 38.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1232 | Y | 32.1 | Very low | 35.4 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | trans | 31.2 | 139.5 | 150.6 | -82.1 | -108.1 | 0 | 0 | 0 | 119.6 | ||||
| 1233 | E | 33.9 | Very low | 35.9 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 67% | 0.673 | 67% | 0.665 | S | S | * | * | cis | -161.4 | -159.8 | 49.9 | -159.7 | 151.4 | -151.2 | 0 | 0 | 112 | G418 G419 | G418-E1233 CarbonylContact C-O 3.52Å; G418-E1233 WeakPolarHBondContact CA-O 3.45Å; G419-E1233 PolarHBondContact N-O 2.78Å | ||
| 1234 | W | 36.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 65% | 0.648 | 66% | 0.663 | S | S | * | * | trans | -136.1 | 135.1 | -169 | -74.3 | 47.4 | 0 | 0 | 0 | 114.3 | F416 S417 G418 | F416-W1234 HydrophobicContact CB-CE3 3.54Å; F416-W1234 HydrophobicContact CB-CZ3 3.71Å; F416-W1234 AromaticContact CD1-CE3 3.7Å; F416-W1234 HydrophobicContact CD1-CE3 3.7Å; F416-W1234 AromaticContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CD1-CZ3 3.46Å; F416-W1234 VanDerWaalsContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CE1-CZ3 4.26Å; F416-W1234 AromaticContact CG-CE3 3.97Å; F416-W1234 HydrophobicContact CG-CE3 3.97Å; F416-W1234 AromaticContact CG-CZ3 3.73Å; F416-W1234 HydrophobicContact CG-CZ3 3.73Å; F416-W1234 CarbonylContact O-C 3.58Å; S417-W1234 VanDerWaalsContact CA-CE3 3.49Å; G418-W1234 VanDerWaalsContact N-CA 3.33Å; G418-W1234 CarbonylContact O-C 3.55Å; G418-W1234 VanDerWaalsContact O-CA 3.27Å; G418-W1234 WeakPolarHBondContact O-CA 3.24Å | ||
| 1235 | S | 30.4 | Very low | 37.2 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | trans | -143.7 | 135 | 168.1 | 62 | 0 | 0 | 0 | 0 | 116.3 | F416 S417 G418 | F416-S1235 CarbonylContact O-C 3.28Å; F416-S1235 VanDerWaalsContact O-C 3.29Å; F416-S1235 WeakPolarHBondContact O-CA 3.21Å; F416-S1235 PolarHBondContact O-N 3.44Å; S417-S1235 VanDerWaalsContact N-N 3.16Å; S417-S1235 PolarHBondContact N-O 2.72Å; S417-S1235 PolarHBondContact OG-O 3.13Å; G418-S1235 PolarHBondContact O-N 3.47Å | ||
| 1236 | D | 34 | Very low | 38.1 | Very low | 37 Ų | 37 | 134 Ų | 134 | 20% | 0.198 | 63% | 0.627 | C | S | . | * | trans | -101.6 | 67.3 | -149 | -160.3 | 11.7 | 0 | 0 | 0 | 119.8 | R414 G415 F416 S417 | R414-D1236 VanDerWaalsContact CG-OD2 3.26Å; R414-D1236 WeakPolarHBondContact CG-OD2 3.38Å; R414-D1236 IonicContact CZ-OD1 2.71Å; R414-D1236 IonicContact CZ-OD2 3.35Å; R414-D1236 VanDerWaalsContact CZ-OD2 3.27Å; R414-D1236 IonicContact NE-OD1 2.65Å; R414-D1236 IonicContact NE-OD2 3.91Å; R414-D1236 PolarHBondContact NE-OD2 3.27Å; R414-D1236 IonicContact NH2-OD1 3.15Å; R414-D1236 PolarHBondContact NH2-OD1 3.1Å; R414-D1236 IonicContact NH2-OD2 2.69Å; R414-D1236 PolarHBondContact NH2-OD2 2.82Å; G415-D1236 WeakPolarHBondContact CA-OD2 3.07Å; F416-D1236 VanDerWaalsContact C-CB 3.44Å; F416-D1236 VanDerWaalsContact N-CB 3.32Å; F416-D1236 PolarHBondContact N-OD2 3.07Å; F416-D1236 WeakPolarHBondContact O-CB 3.09Å; F416-D1236 PolarHBondContact O-N 2.74Å; S417-D1236 WeakPolarHBondContact OG-CA 3.45Å | ||
| 1237 | E | 34.9 | Very low | 38.9 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 90% | 0.897 | 62% | 0.623 | S | S | * | * | trans | -135.1 | 70.9 | 179.1 | -67 | -165.3 | 147.4 | 0 | 0 | 115.5 | ||||
| 1238 | D | 38.8 | Very low | 39.7 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -150.1 | 32.5 | 154.4 | -155.3 | 15.6 | 0 | 0 | 0 | 113.9 | D1240 K1243 | D1238-D1240 PolarHBondContact O-N 3.19Å; D1238-D1240 VanDerWaalsContact O-N 3.16Å; D1238-K1243 IonicContact OD1-NZ 3.5Å; D1238-K1243 PolarHBondContact OD1-NZ 3.47Å; D1238-K1243 VanDerWaalsContact OD1-NZ 3.17Å; D1238-K1243 IonicContact OD2-NZ 2.8Å; D1238-K1243 PolarHBondContact OD2-NZ 3.09Å | ||
| 1239 | Y | 45.4 | Very low | 40.7 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | trans | -82 | 89.7 | 172.1 | -173.6 | -90 | 0 | 0 | 0 | 110.6 | R414 P1241 | R414-Y1239 VanDerWaalsContact NH2-CB 3.33Å; Y1239-P1241 HydrophobicContact CD1-CG 4.45Å; Y1239-P1241 HydrophobicContact CE1-CG 4.26Å; Y1239-P1241 WeakPolarHBondContact O-CD 3.37Å | ||
| 1240 | D | 48.9 | Very low | 41.7 | Very low | 58 Ų | 58 | 117.7 Ų | 117.7 | 31% | 0.31 | 59% | 0.587 | S | S | . | * | trans | -86.6 | 116.9 | 172.3 | -179.2 | -7.2 | 0 | 0 | 0 | 109.8 | D1238 S1242 K1243 | D1238-D1240 PolarHBondContact O-N 3.19Å; D1238-D1240 VanDerWaalsContact O-N 3.16Å; D1240-S1242 PolarHBondContact O-N 2.79Å; D1240-S1242 VanDerWaalsContact O-N 3.17Å; D1240-S1242 WeakPolarHBondContact OD1-CA 3.41Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.44Å; D1240-S1242 PolarHBondContact OD1-N 2.95Å; D1240-S1242 PolarHBondContact OD1-OG 3.04Å; D1240-S1242 PolarHBondContact OD2-OG 2.64Å; D1240-K1243 HydrophobicContact CB-CB 4.22Å; D1240-K1243 HydrophobicContact CB-CD 3.92Å; D1240-K1243 HydrophobicContact CB-CG 3.86Å; D1240-K1243 CarbonylContact O-C 3.41Å; D1240-K1243 WeakPolarHBondContact O-CA 3.48Å; D1240-K1243 WeakPolarHBondContact O-CB 3.36Å; D1240-K1243 PolarHBondContact O-N 3.33Å | ||
| 1241 | P | 46.5 | Very low | 42.9 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -68.2 | -6.6 | 175.9 | -18.7 | 33 | 0 | 0 | 0 | 114.3 | Y1239 E1244 | Y1239-P1241 HydrophobicContact CD1-CG 4.45Å; Y1239-P1241 HydrophobicContact CE1-CG 4.26Å; Y1239-P1241 WeakPolarHBondContact O-CD 3.37Å; P1241-E1244 WeakPolarHBondContact O-CG 3.47Å; P1241-E1244 PolarHBondContact O-N 2.98Å |
| 1242 | S | 46 | Very low | 44.1 | Very low | 101 Ų | 101 | 114 Ų | 114 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -95.7 | 4.1 | 166.5 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | D1240 | D1240-S1242 PolarHBondContact O-N 2.79Å; D1240-S1242 VanDerWaalsContact O-N 3.17Å; D1240-S1242 WeakPolarHBondContact OD1-CA 3.41Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.44Å; D1240-S1242 PolarHBondContact OD1-N 2.95Å; D1240-S1242 PolarHBondContact OD1-OG 3.04Å; D1240-S1242 PolarHBondContact OD2-OG 2.64Å |
| 1243 | K | 43.5 | Very low | 45.8 | Very low | 122 Ų | 122 | 107.3 Ų | 107.3 | 53% | 0.53 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -102.4 | 29.8 | 151.2 | -54.5 | 172.7 | -160.1 | 157.2 | 0 | 110.6 | D1238 D1240 T1245 | D1238-K1243 IonicContact OD1-NZ 3.5Å; D1238-K1243 PolarHBondContact OD1-NZ 3.47Å; D1238-K1243 VanDerWaalsContact OD1-NZ 3.17Å; D1238-K1243 IonicContact OD2-NZ 2.8Å; D1238-K1243 PolarHBondContact OD2-NZ 3.09Å; D1240-K1243 HydrophobicContact CB-CB 4.22Å; D1240-K1243 HydrophobicContact CB-CD 3.92Å; D1240-K1243 HydrophobicContact CB-CG 3.86Å; D1240-K1243 CarbonylContact O-C 3.41Å; D1240-K1243 WeakPolarHBondContact O-CA 3.48Å; D1240-K1243 WeakPolarHBondContact O-CB 3.36Å; D1240-K1243 PolarHBondContact O-N 3.33Å; K1243-T1245 PolarHBondContact O-N 2.85Å |
| 1244 | E | 42.1 | Very low | 47.7 | Very low | 142 Ų | 142 | 104.5 Ų | 104.5 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -52.9 | 132.7 | 142.7 | -81.2 | -177.9 | 172.3 | 0 | 0 | 106.2 | P1241 D1246 | P1241-E1244 WeakPolarHBondContact O-CG 3.47Å; P1241-E1244 PolarHBondContact O-N 2.98Å; E1244-D1246 PolarHBondContact O-N 2.05Å |
| 1245 | T | 46.4 | Very low | 49.5 | Very low | 74 Ų | 74 | 102.2 Ų | 102.2 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | trans | -44.9 | 130 | -165.4 | 7.1 | 0 | 0 | 0 | 0 | 111.4 | K1243 D1249 E1250 | K1243-T1245 PolarHBondContact O-N 2.85Å; T1245-D1249 HydrophobicContact CG2-CB 4.02Å; T1245-E1250 WeakPolarHBondContact CB-OE1 3.15Å; T1245-E1250 HydrophobicContact CG2-CG 3.96Å; T1245-E1250 PolarHBondContact OG1-OE1 3.34Å | ||
| 1246 | D | 50.7 | Low | 51.5 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | trans | -55.9 | 131.8 | 163.6 | -169.1 | -41.1 | 0 | 0 | 0 | 105.5 | E1244 N1248 D1249 E1250 | E1244-D1246 PolarHBondContact O-N 2.05Å; D1246-N1248 PolarHBondContact O-N 2.94Å; D1246-N1248 WeakPolarHBondContact OD1-CB 3.45Å; D1246-N1248 PolarHBondContact OD1-N 3.12Å; D1246-N1248 PolarHBondContact OD1-ND2 2.94Å; D1246-D1249 HydrophobicContact CB-CB 4.32Å; D1246-D1249 WeakPolarHBondContact CB-OD2 3.4Å; D1246-D1249 PolarHBondContact N-OD2 3.19Å; D1246-D1249 WeakPolarHBondContact O-CA 3.21Å; D1246-D1249 WeakPolarHBondContact O-CB 3.35Å; D1246-D1249 PolarHBondContact O-N 2.8Å; D1246-E1250 PolarHBondContact O-N 3.48Å | ||
| 1247 | P | 50.9 | Low | 53.3 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -55.1 | -21.1 | 175 | 19.7 | -32.1 | 0 | 0 | 0 | 112.3 | E1251 | P1247-E1251 WeakPolarHBondContact O-CG 3.48Å; P1247-E1251 PolarHBondContact O-N 2.89Å |
| 1248 | N | 50.7 | Low | 55.4 | Low | 105 Ų | 105 | 94.4 Ų | 94.4 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73.9 | -28.4 | 169.1 | -59.3 | -85.8 | 0 | 0 | 0 | 114 | D1246 E1252 | D1246-N1248 PolarHBondContact O-N 2.94Å; D1246-N1248 WeakPolarHBondContact OD1-CB 3.45Å; D1246-N1248 PolarHBondContact OD1-N 3.12Å; D1246-N1248 PolarHBondContact OD1-ND2 2.94Å; N1248-E1252 WeakPolarHBondContact O-CB 3.31Å; N1248-E1252 PolarHBondContact O-N 3.36Å |
| 1249 | D | 51.9 | Low | 57.1 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71 | -41 | 172.5 | -74 | -44.9 | 0 | 0 | 0 | 110.9 | T1245 D1246 E1252 D1253 | T1245-D1249 HydrophobicContact CG2-CB 4.02Å; D1246-D1249 HydrophobicContact CB-CB 4.32Å; D1246-D1249 WeakPolarHBondContact CB-OD2 3.4Å; D1246-D1249 PolarHBondContact N-OD2 3.19Å; D1246-D1249 WeakPolarHBondContact O-CA 3.21Å; D1246-D1249 WeakPolarHBondContact O-CB 3.35Å; D1246-D1249 PolarHBondContact O-N 2.8Å; D1249-E1252 PolarHBondContact O-N 2.91Å; D1249-D1253 PolarHBondContact O-N 2.94Å |
| 1250 | E | 52.6 | Low | 58.4 | Low | 108 Ų | 108 | 91.9 Ų | 91.9 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 172.4 | -86.8 | -179.8 | -146.4 | 0 | 0 | 111.3 | T1245 D1246 I1254 | T1245-E1250 WeakPolarHBondContact CB-OE1 3.15Å; T1245-E1250 HydrophobicContact CG2-CG 3.96Å; T1245-E1250 PolarHBondContact OG1-OE1 3.34Å; D1246-E1250 PolarHBondContact O-N 3.48Å; E1250-I1254 VanDerWaalsContact O-CB 3.25Å; E1250-I1254 WeakPolarHBondContact O-CB 3.44Å; E1250-I1254 WeakPolarHBondContact O-CD1 3.22Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.39Å; E1250-I1254 PolarHBondContact O-N 2.95Å |
| 1251 | E | 54.2 | Low | 59.7 | Low | 110 Ų | 110 | 91.9 Ų | 91.9 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 169 | -77.7 | -166.8 | 170.1 | 0 | 0 | 112.3 | P1247 I1254 F1255 | P1247-E1251 WeakPolarHBondContact O-CG 3.48Å; P1247-E1251 PolarHBondContact O-N 2.89Å; E1251-I1254 CarbonylContact O-C 3.08Å; E1251-I1254 PolarHBondContact O-N 2.56Å; E1251-F1255 HydrophobicContact CB-CD2 4.22Å; E1251-F1255 HydrophobicContact CB-CE2 4.18Å; E1251-F1255 WeakPolarHBondContact O-CB 3.16Å; E1251-F1255 WeakPolarHBondContact O-CD2 3.03Å; E1251-F1255 WeakPolarHBondContact O-CG 3.35Å; E1251-F1255 PolarHBondContact O-N 3.39Å |
| 1252 | E | 56.2 | Low | 60.9 | Low | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -70.3 | -42.8 | 179.7 | -171.8 | 163.4 | -126.6 | 0 | 0 | 112.7 | N1248 D1249 I1254 F1255 E1256 | N1248-E1252 WeakPolarHBondContact O-CB 3.31Å; N1248-E1252 PolarHBondContact O-N 3.36Å; D1249-E1252 PolarHBondContact O-N 2.91Å; E1252-I1254 VanDerWaalsContact C-N 3.31Å; E1252-I1254 PolarHBondContact O-N 3.01Å; E1252-F1255 PolarHBondContact O-N 3.05Å; E1252-E1256 PolarHBondContact O-N 2.84Å |
| 1253 | D | 67 | Low | 61.9 | Low | 64 Ų | 64 | 90.5 Ų | 90.5 | 34% | 0.342 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 172.1 | -88.3 | -3 | 0 | 0 | 0 | 111 | R1207 D1249 A1257 | R1207-D1253 IonicContact CZ-OD1 3.88Å; R1207-D1253 IonicContact NE-OD1 3.04Å; R1207-D1253 PolarHBondContact NE-OD1 3.39Å; R1207-D1253 IonicContact NE-OD2 2.7Å; R1207-D1253 IonicContact NH2-OD1 3.17Å; R1207-D1253 PolarHBondContact NH2-OD1 3.08Å; R1207-D1253 IonicContact NH2-OD2 2.82Å; D1249-D1253 PolarHBondContact O-N 2.94Å; D1253-A1257 WeakPolarHBondContact O-CB 3.45Å; D1253-A1257 PolarHBondContact O-N 3.41Å |
| 1254 | I | 74.3 | Confident | 63 | Low | 85 Ų | 85 | 89 Ų | 89 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 169.8 | -73.4 | 167.2 | 0 | 0 | 0 | 111.6 | E1250 E1251 E1252 A1257 L1258 | E1250-I1254 VanDerWaalsContact O-CB 3.25Å; E1250-I1254 WeakPolarHBondContact O-CB 3.44Å; E1250-I1254 WeakPolarHBondContact O-CD1 3.22Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.39Å; E1250-I1254 PolarHBondContact O-N 2.95Å; E1251-I1254 CarbonylContact O-C 3.08Å; E1251-I1254 PolarHBondContact O-N 2.56Å; E1252-I1254 VanDerWaalsContact C-N 3.31Å; E1252-I1254 PolarHBondContact O-N 3.01Å; I1254-A1257 PolarHBondContact O-N 3.36Å; I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.39Å; I1254-L1258 WeakPolarHBondContact O-CB 3.42Å; I1254-L1258 VanDerWaalsContact O-CG 3.27Å; I1254-L1258 WeakPolarHBondContact O-CG 3.48Å; I1254-L1258 PolarHBondContact O-N 3.23Å |
| 1255 | F | 73.4 | Confident | 64.5 | Low | 124 Ų | 124 | 85.6 Ų | 85.6 | 54% | 0.544 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.3 | -36 | 178.3 | -83.8 | -60.1 | 0 | 0 | 0 | 111.9 | E1251 E1252 L1258 R1259 | E1251-F1255 HydrophobicContact CB-CD2 4.22Å; E1251-F1255 HydrophobicContact CB-CE2 4.18Å; E1251-F1255 WeakPolarHBondContact O-CB 3.16Å; E1251-F1255 WeakPolarHBondContact O-CD2 3.03Å; E1251-F1255 WeakPolarHBondContact O-CG 3.35Å; E1251-F1255 PolarHBondContact O-N 3.39Å; E1252-F1255 PolarHBondContact O-N 3.05Å; F1255-L1258 HydrophobicContact CD1-CD1 4.38Å; F1255-L1258 PolarHBondContact O-N 3.21Å; F1255-R1259 WeakPolarHBondContact O-CG 3.41Å; F1255-R1259 PolarHBondContact O-N 3.21Å |
| 1256 | E | 73.5 | Confident | 65.3 | Low | 49 Ų | 49 | 86.9 Ų | 86.9 | 23% | 0.229 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -76.2 | -32.1 | 173.2 | -163.2 | 58.9 | -134.1 | 0 | 0 | 111.9 | E1252 R1259 Q1260 R1263 | E1252-E1256 PolarHBondContact O-N 2.84Å; E1256-R1259 WeakPolarHBondContact O-CB 3.4Å; E1256-R1259 PolarHBondContact O-N 3.16Å; E1256-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E1256-R1259 IonicContact OE2-CZ 3.88Å; E1256-R1259 IonicContact OE2-NE 2.77Å; E1256-R1259 IonicContact OE2-NH1 3.11Å; E1256-R1259 PolarHBondContact OE2-NH1 3.14Å; E1256-Q1260 WeakPolarHBondContact O-CG 3.39Å; E1256-Q1260 PolarHBondContact O-N 3.15Å; E1256-R1263 IonicContact OE1-CZ 3.78Å; E1256-R1263 IonicContact OE1-NH2 3.03Å; E1256-R1263 PolarHBondContact OE1-NH2 2.99Å |
| 1257 | A | 71.7 | Confident | 65.8 | Low | 4 Ų | 4 | 85.2 Ų | 85.2 | 3% | 0.033 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1205 D1253 I1254 R1259 Q1260 V1261 | F1205-A1257 HydrophobicContact CD1-CB 3.78Å; F1205-A1257 HydrophobicContact CE1-CB 3.41Å; F1205-A1257 VanDerWaalsContact CE1-CB 3.41Å; F1205-A1257 HydrophobicContact CZ-CB 3.94Å; D1253-A1257 WeakPolarHBondContact O-CB 3.45Å; D1253-A1257 PolarHBondContact O-N 3.41Å; I1254-A1257 PolarHBondContact O-N 3.36Å; A1257-R1259 VanDerWaalsContact C-N 3.33Å; A1257-R1259 PolarHBondContact O-N 3.14Å; A1257-Q1260 PolarHBondContact O-N 3.34Å; A1257-V1261 WeakPolarHBondContact O-CG2 3.49Å; A1257-V1261 PolarHBondContact O-N 3.09Å |
| 1258 | L | 78.3 | Confident | 66.5 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 53% | 0.534 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 172.3 | -77.8 | 169.1 | 0 | 0 | 0 | 112 | I1254 F1255 G1262 | I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.39Å; I1254-L1258 WeakPolarHBondContact O-CB 3.42Å; I1254-L1258 VanDerWaalsContact O-CG 3.27Å; I1254-L1258 WeakPolarHBondContact O-CG 3.48Å; I1254-L1258 PolarHBondContact O-N 3.23Å; F1255-L1258 HydrophobicContact CD1-CD1 4.38Å; F1255-L1258 PolarHBondContact O-N 3.21Å; L1258-G1262 PolarHBondContact O-N 3.37Å |
| 1259 | R | 74.4 | Confident | 67.2 | Low | 159 Ų | 159 | 87.8 Ų | 87.8 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 169.9 | -79.2 | 168.2 | 167.2 | 176.1 | 3.7 | 111.8 | F1255 E1256 A1257 G1262 R1263 | F1255-R1259 WeakPolarHBondContact O-CG 3.41Å; F1255-R1259 PolarHBondContact O-N 3.21Å; E1256-R1259 WeakPolarHBondContact O-CB 3.4Å; E1256-R1259 PolarHBondContact O-N 3.16Å; E1256-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E1256-R1259 IonicContact OE2-CZ 3.88Å; E1256-R1259 IonicContact OE2-NE 2.77Å; E1256-R1259 IonicContact OE2-NH1 3.11Å; E1256-R1259 PolarHBondContact OE2-NH1 3.14Å; A1257-R1259 VanDerWaalsContact C-N 3.33Å; A1257-R1259 PolarHBondContact O-N 3.14Å; R1259-G1262 CarbonylContact O-C 3.46Å; R1259-G1262 WeakPolarHBondContact O-CA 3.34Å; R1259-G1262 PolarHBondContact O-N 2.82Å; R1259-R1263 VanDerWaalsContact O-CG 3.31Å; R1259-R1263 WeakPolarHBondContact O-CG 3.21Å; R1259-R1263 PolarHBondContact O-N 3.38Å |
| 1260 | Q | 73 | Confident | 68.3 | Low | 59 Ų | 59 | 85.7 Ų | 85.7 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.7 | -72.1 | 175.3 | 55.3 | 0 | 0 | 111.2 | L1204 E1256 A1257 G1262 R1263 L1264 | L1204-Q1260 HydrophobicContact CD2-CB 3.91Å; L1204-Q1260 PolarHBondContact O-NE2 3.41Å; L1204-Q1260 VanDerWaalsContact O-NE2 3.09Å; L1204-Q1260 PolarHBondContact O-OE1 3.07Å; E1256-Q1260 WeakPolarHBondContact O-CG 3.39Å; E1256-Q1260 PolarHBondContact O-N 3.15Å; A1257-Q1260 PolarHBondContact O-N 3.34Å; Q1260-G1262 VanDerWaalsContact C-N 3.32Å; Q1260-G1262 PolarHBondContact O-N 3.5Å; Q1260-R1263 PolarHBondContact O-N 3.27Å; Q1260-L1264 VanDerWaalsContact O-CB 3.3Å; Q1260-L1264 WeakPolarHBondContact O-CB 3.41Å; Q1260-L1264 PolarHBondContact O-N 2.71Å |
| 1261 | V | 76.1 | Confident | 69.9 | Low | 58 Ų | 58 | 81 Ų | 81 | 35% | 0.352 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 171.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L1204 A1257 L1264 V1265 | L1204-V1261 HydrophobicContact CD1-CG2 3.91Å; A1257-V1261 WeakPolarHBondContact O-CG2 3.49Å; A1257-V1261 PolarHBondContact O-N 3.09Å; V1261-L1264 CarbonylContact O-C 3.38Å; V1261-L1264 PolarHBondContact O-N 3.05Å; V1261-V1265 HydrophobicContact CG1-CG2 4.25Å; V1261-V1265 WeakPolarHBondContact O-CB 3.12Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; V1261-V1265 PolarHBondContact O-N 2.94Å |
| 1262 | G | 72.2 | Confident | 71.6 | Confident | 29 Ų | 29 | 77 Ų | 77 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1258 R1259 Q1260 L1264 N1266 | L1258-G1262 PolarHBondContact O-N 3.37Å; R1259-G1262 CarbonylContact O-C 3.46Å; R1259-G1262 WeakPolarHBondContact O-CA 3.34Å; R1259-G1262 PolarHBondContact O-N 2.82Å; Q1260-G1262 VanDerWaalsContact C-N 3.32Å; Q1260-G1262 PolarHBondContact O-N 3.5Å; G1262-L1264 VanDerWaalsContact C-N 3.27Å; G1262-L1264 PolarHBondContact O-N 3.09Å; G1262-N1266 WeakPolarHBondContact O-CB 3.28Å; G1262-N1266 VanDerWaalsContact O-CG 3.27Å; G1262-N1266 PolarHBondContact O-N 2.64Å |
| 1263 | R | 66.1 | Low | 73.3 | Confident | 128 Ų | 128 | 71.3 Ų | 71.3 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 171.5 | -67.7 | 179.9 | -150.2 | -172.9 | 10.3 | 110.3 | D1210 E1256 R1259 Q1260 S1267 | D1210-R1263 IonicContact OD1-CZ 3.48Å; D1210-R1263 IonicContact OD1-NH1 3.5Å; D1210-R1263 PolarHBondContact OD1-NH1 3.36Å; D1210-R1263 IonicContact OD1-NH2 3.17Å; E1256-R1263 IonicContact OE1-CZ 3.78Å; E1256-R1263 IonicContact OE1-NH2 3.03Å; E1256-R1263 PolarHBondContact OE1-NH2 2.99Å; R1259-R1263 VanDerWaalsContact O-CG 3.31Å; R1259-R1263 WeakPolarHBondContact O-CG 3.21Å; R1259-R1263 PolarHBondContact O-N 3.38Å; Q1260-R1263 PolarHBondContact O-N 3.27Å; R1263-S1267 VanDerWaalsContact O-CB 3.24Å; R1263-S1267 WeakPolarHBondContact O-CB 3.42Å; R1263-S1267 PolarHBondContact O-N 2.96Å |
| 1264 | L | 67.7 | Low | 74.5 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.9 | -37.7 | -176.9 | -160.7 | 147.2 | 0 | 0 | 0 | 112.9 | Q1260 V1261 G1262 S1267 L1268 | Q1260-L1264 VanDerWaalsContact O-CB 3.3Å; Q1260-L1264 WeakPolarHBondContact O-CB 3.41Å; Q1260-L1264 PolarHBondContact O-N 2.71Å; V1261-L1264 CarbonylContact O-C 3.38Å; V1261-L1264 PolarHBondContact O-N 3.05Å; G1262-L1264 VanDerWaalsContact C-N 3.27Å; G1262-L1264 PolarHBondContact O-N 3.09Å; L1264-S1267 WeakPolarHBondContact O-CB 3.48Å; L1264-S1267 PolarHBondContact O-N 3.47Å; L1264-L1268 HydrophobicContact CD2-CD1 3.86Å; L1264-L1268 HydrophobicContact CD2-CG 4.45Å; L1264-L1268 WeakPolarHBondContact O-CG 3.3Å; L1264-L1268 PolarHBondContact O-N 2.59Å |
| 1265 | V | 72.5 | Confident | 75.4 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 170.9 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V1261 L1268 N1269 | V1261-V1265 HydrophobicContact CG1-CG2 4.25Å; V1261-V1265 WeakPolarHBondContact O-CB 3.12Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; V1261-V1265 PolarHBondContact O-N 2.94Å; V1265-L1268 PolarHBondContact O-N 3.38Å; V1265-N1269 PolarHBondContact O-N 2.98Å; V1265-N1269 VanDerWaalsContact O-N 3.12Å; V1265-N1269 PolarHBondContact O-ND2 3.23Å |
| 1266 | N | 64.2 | Low | 76.1 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 171.2 | -73.1 | -3.9 | 0 | 0 | 0 | 110.5 | G1262 L1268 N1269 S1270 | G1262-N1266 WeakPolarHBondContact O-CB 3.28Å; G1262-N1266 VanDerWaalsContact O-CG 3.27Å; G1262-N1266 PolarHBondContact O-N 2.64Å; N1266-L1268 PolarHBondContact O-N 3.46Å; N1266-N1269 PolarHBondContact O-N 2.9Å; N1266-S1270 PolarHBondContact O-N 3.47Å; N1266-S1270 PolarHBondContact O-OG 3.38Å |
| 1267 | S | 61.1 | Low | 77 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.9 | -37.1 | 175.4 | -172 | 0 | 0 | 0 | 0 | 113 | R1263 L1264 S1270 N1277 | R1263-S1267 VanDerWaalsContact O-CB 3.24Å; R1263-S1267 WeakPolarHBondContact O-CB 3.42Å; R1263-S1267 PolarHBondContact O-N 2.96Å; L1264-S1267 WeakPolarHBondContact O-CB 3.48Å; L1264-S1267 PolarHBondContact O-N 3.47Å; S1267-S1270 CarbonylContact O-C 3.49Å; S1267-S1270 VanDerWaalsContact O-O 3.13Å; S1267-N1277 PolarHBondContact O-ND2 2.81Å; S1267-N1277 PolarHBondContact O-OD1 3.26Å; S1267-N1277 VanDerWaalsContact O-OD1 3.06Å; S1267-N1277 PolarHBondContact OG-ND2 3.26Å |
| 1268 | L | 65.4 | Low | 78 | Confident | 128 Ų | 128 | 72 Ų | 72 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -75.1 | -26.5 | 176.7 | -72.6 | 166.6 | 0 | 0 | 0 | 113.6 | L1264 V1265 N1266 | L1264-L1268 HydrophobicContact CD2-CD1 3.86Å; L1264-L1268 HydrophobicContact CD2-CG 4.45Å; L1264-L1268 WeakPolarHBondContact O-CG 3.3Å; L1264-L1268 PolarHBondContact O-N 2.59Å; V1265-L1268 PolarHBondContact O-N 3.38Å; N1266-L1268 PolarHBondContact O-N 3.46Å |
| 1269 | N | 66.5 | Low | 78.8 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -88.7 | -33.2 | 177.6 | -73.1 | -25.5 | 0 | 0 | 0 | 112.9 | V1265 N1266 | V1265-N1269 PolarHBondContact O-N 2.98Å; V1265-N1269 VanDerWaalsContact O-N 3.12Å; V1265-N1269 PolarHBondContact O-ND2 3.23Å; N1266-N1269 PolarHBondContact O-N 2.9Å |
| 1270 | S | 74.9 | Confident | 79.6 | Confident | 32 Ų | 32 | 66 Ų | 66 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -120.3 | 95.4 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | N1266 S1267 S1272 | N1266-S1270 PolarHBondContact O-N 3.47Å; N1266-S1270 PolarHBondContact O-OG 3.38Å; S1267-S1270 CarbonylContact O-C 3.49Å; S1267-S1270 VanDerWaalsContact O-O 3.13Å; S1270-S1272 PolarHBondContact O-N 3.13Å |
| 1271 | G | 85.2 | Confident | 80.6 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | trans | -64.5 | 125.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1273 P1278 A1279 | G1271-G1273 PolarHBondContact O-N 3.37Å; G1271-G1273 VanDerWaalsContact O-N 3.17Å; G1271-P1278 WeakPolarHBondContact CA-O 3.4Å; G1271-A1279 WeakPolarHBondContact O-CB 3.42Å | ||
| 1272 | S | 89.7 | Confident | 81.5 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | trans | -77.8 | 0.5 | -171 | 69.4 | 0 | 0 | 0 | 0 | 114.6 | S1270 T1274 N1277 K1292 | S1270-S1272 PolarHBondContact O-N 3.13Å; S1272-T1274 VanDerWaalsContact C-N 3.32Å; S1272-T1274 WeakPolarHBondContact OG-CG2 3.47Å; S1272-T1274 PolarHBondContact OG-OG1 3.18Å; S1272-N1277 PolarHBondContact N-ND2 3.1Å; S1272-N1277 VanDerWaalsContact N-ND2 3.12Å; S1272-N1277 PolarHBondContact N-O 3.46Å; S1272-N1277 PolarHBondContact OG-O 2.82Å; S1272-K1292 PolarHBondContact O-NZ 2.83Å | ||
| 1273 | G | 92.3 | Very high | 82.4 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 75.8 | 19.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1271 N1277 Y1298 | G1271-G1273 PolarHBondContact O-N 3.37Å; G1271-G1273 VanDerWaalsContact O-N 3.17Å; G1273-N1277 PolarHBondContact N-O 2.96Å; G1273-N1277 VanDerWaalsContact N-O 3.11Å; G1273-Y1298 WeakPolarHBondContact CA-O 3.34Å; G1273-Y1298 PolarHBondContact O-N 3.42Å |
| 1274 | T | 93.1 | Very high | 83.6 | Confident | 62 Ų | 62 | 58.8 Ų | 58.8 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -104.7 | 158 | -179.2 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | S1272 F1276 N1277 P1278 | S1272-T1274 VanDerWaalsContact C-N 3.32Å; S1272-T1274 WeakPolarHBondContact OG-CG2 3.47Å; S1272-T1274 PolarHBondContact OG-OG1 3.18Å; T1274-F1276 PolarHBondContact O-N 2.83Å; T1274-F1276 VanDerWaalsContact O-N 3.11Å; T1274-N1277 PolarHBondContact N-O 2.67Å; T1274-N1277 VanDerWaalsContact N-O 3.13Å; T1274-N1277 CarbonylContact O-C 3.48Å; T1274-N1277 PolarHBondContact O-N 2.03Å; T1274-N1277 PolarHBondContact OG1-N 3.07Å; T1274-P1278 WeakPolarHBondContact O-CA 3.3Å |
| 1275 | Q | 91.7 | Very high | 84.9 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.2 | -175.6 | -169 | 175.8 | 16.4 | 0 | 0 | 114 | Y1298 | Q1275-Y1298 HydrophobicContact CB-CD1 4.14Å; Q1275-Y1298 HydrophobicContact CB-CD2 3.86Å; Q1275-Y1298 HydrophobicContact CB-CE1 4.13Å; Q1275-Y1298 HydrophobicContact CB-CE2 3.85Å; Q1275-Y1298 HydrophobicContact CB-CG 4.01Å; Q1275-Y1298 HydrophobicContact CG-CD1 4.01Å; Q1275-Y1298 HydrophobicContact CG-CE1 3.77Å; Q1275-Y1298 HydrophobicContact CG-CE2 4.35Å; Q1275-Y1298 HydrophobicContact CG-CG 4.39Å |
| 1276 | F | 89.3 | Confident | 85.8 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.1 | 178.5 | -57.5 | -74.8 | 0 | 0 | 0 | 113.6 | T1274 W1306 | T1274-F1276 PolarHBondContact O-N 2.83Å; T1274-F1276 VanDerWaalsContact O-N 3.11Å; F1276-W1306 HydrophobicContact CD1-CE3 4.06Å; F1276-W1306 AromaticContact CD1-CH2 3.8Å; F1276-W1306 HydrophobicContact CD1-CH2 3.8Å; F1276-W1306 AromaticContact CD1-CZ3 3.45Å; F1276-W1306 HydrophobicContact CD1-CZ3 3.45Å; F1276-W1306 VanDerWaalsContact CD1-CZ3 3.45Å; F1276-W1306 AromaticContact CE1-CH2 3.97Å; F1276-W1306 HydrophobicContact CE1-CH2 3.97Å; F1276-W1306 AromaticContact CE1-CZ3 3.72Å; F1276-W1306 HydrophobicContact CE1-CZ3 3.72Å |
| 1277 | N | 91.1 | Very high | 87.1 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -148.2 | 74.6 | 172.9 | -172.3 | 32.4 | 0 | 0 | 0 | 109.9 | S1267 S1272 G1273 T1274 | S1267-N1277 PolarHBondContact O-ND2 2.81Å; S1267-N1277 PolarHBondContact O-OD1 3.26Å; S1267-N1277 VanDerWaalsContact O-OD1 3.06Å; S1267-N1277 PolarHBondContact OG-ND2 3.26Å; S1272-N1277 PolarHBondContact N-ND2 3.1Å; S1272-N1277 VanDerWaalsContact N-ND2 3.12Å; S1272-N1277 PolarHBondContact N-O 3.46Å; S1272-N1277 PolarHBondContact OG-O 2.82Å; G1273-N1277 PolarHBondContact N-O 2.96Å; G1273-N1277 VanDerWaalsContact N-O 3.11Å; T1274-N1277 PolarHBondContact N-O 2.67Å; T1274-N1277 VanDerWaalsContact N-O 3.13Å; T1274-N1277 CarbonylContact O-C 3.48Å; T1274-N1277 PolarHBondContact O-N 2.03Å; T1274-N1277 PolarHBondContact OG1-N 3.07Å |
| 1278 | P | 93.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | trans | -68.6 | 149.1 | -179.2 | 27.1 | -34.1 | 0 | 0 | 0 | 111.1 | G1271 T1274 Y1298 D1300 W1306 | G1271-P1278 WeakPolarHBondContact CA-O 3.4Å; T1274-P1278 WeakPolarHBondContact O-CA 3.3Å; P1278-Y1298 WeakPolarHBondContact CA-O 3.28Å; P1278-D1300 HydrophobicContact CB-CB 3.86Å; P1278-D1300 HydrophobicContact CG-CB 3.6Å; P1278-W1306 HydrophobicContact CG-CB 4.01Å | ||
| 1279 | A | 93.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -79.6 | 155 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | G1271 T1281 L1285 Y1298 V1299 D1300 | G1271-A1279 WeakPolarHBondContact O-CB 3.42Å; A1279-T1281 PolarHBondContact O-N 3.06Å; A1279-L1285 HydrophobicContact CB-CB 3.68Å; A1279-L1285 HydrophobicContact CB-CD1 4.16Å; A1279-L1285 HydrophobicContact CB-CG 4.36Å; A1279-Y1298 PolarHBondContact N-O 3.35Å; A1279-V1299 HydrophobicContact CB-CG1 4.45Å; A1279-V1299 CarbonylContact O-C 3.5Å; A1279-V1299 WeakPolarHBondContact O-CA 3.29Å; A1279-V1299 VanDerWaalsContact O-CB 3.23Å; A1279-V1299 WeakPolarHBondContact O-CB 3.29Å; A1279-D1300 PolarHBondContact O-N 2.71Å |
| 1280 | R | 91.8 | Very high | 90.9 | Very high | 135 Ų | 135 | 48.1 Ų | 48.1 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65 | -43.7 | 177.9 | -168.2 | -179.1 | -167.5 | 163.1 | 10.8 | 112.4 | D1284 D1300 P1301 | R1280-D1284 HydrophobicContact CB-CB 4.5Å; R1280-D1300 CarbonylContact O-C 3.52Å; R1280-P1301 PolarHBondContact NE-O 2.78Å; R1280-P1301 PolarHBondContact NH2-O 3.46Å; R1280-P1301 WeakPolarHBondContact O-CA 3.33Å |
| 1281 | T | 93.4 | Very high | 91.7 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -142.1 | 172.8 | 172.6 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | A1279 H1283 D1284 L1285 L1369 | A1279-T1281 PolarHBondContact O-N 3.06Å; T1281-H1283 PolarHBondContact O-N 2.88Å; T1281-H1283 WeakPolarHBondContact OG1-CB 3.13Å; T1281-H1283 PolarHBondContact OG1-N 2.97Å; T1281-D1284 WeakPolarHBondContact CB-OD2 3.48Å; T1281-D1284 WeakPolarHBondContact CG2-OD2 3.38Å; T1281-D1284 PolarHBondContact N-OD2 2.74Å; T1281-D1284 VanDerWaalsContact N-OD2 3.17Å; T1281-D1284 PolarHBondContact O-N 2.91Å; T1281-D1284 PolarHBondContact OG1-N 2.87Å; T1281-D1284 VanDerWaalsContact OG1-N 3.07Å; T1281-D1284 PolarHBondContact OG1-OD2 3.04Å; T1281-L1285 PolarHBondContact O-N 3Å; T1281-L1369 HydrophobicContact CG2-CD1 4.47Å |
| 1282 | C | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -23.1 | 171.1 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | K1286 C1314 L1316 E1320 T1321 | C1282-K1286 PolarHBondContact O-N 2.93Å; C1282-K1286 VanDerWaalsContact O-N 3.1Å; C1282-C1314 HydrophobicContact CB-CB 3.53Å; C1282-C1314 WeakPolarHBondContact CB-SG 3.27Å; C1282-C1314 WeakPolarHBondContact SG-CA 3.23Å; C1282-C1314 WeakPolarHBondContact SG-CB 3.25Å; C1282-C1314 CovalentContact SG-SG 2.03Å; C1282-C1314 PolarHBondContact SG-SG 2.72Å; C1282-L1316 HydrophobicContact CB-CD2 4.07Å; C1282-L1316 WeakPolarHBondContact O-CD2 3.23Å; C1282-E1320 WeakPolarHBondContact CB-O 3.03Å; C1282-T1321 WeakPolarHBondContact CB-OG1 3.32Å; C1282-T1321 PolarHBondContact N-OG1 3.45Å; C1282-T1321 PolarHBondContact SG-OG1 2.97Å |
| 1283 | H | 92.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.5 | -48.2 | 171.3 | -175.5 | 121.6 | 0 | 0 | 0 | 110.3 | T1281 L1285 K1286 R1287 L1319 | T1281-H1283 PolarHBondContact O-N 2.88Å; T1281-H1283 WeakPolarHBondContact OG1-CB 3.13Å; T1281-H1283 PolarHBondContact OG1-N 2.97Å; H1283-L1285 VanDerWaalsContact C-N 3.34Å; H1283-L1285 PolarHBondContact O-N 2.91Å; H1283-K1286 PolarHBondContact O-N 2.96Å; H1283-K1286 VanDerWaalsContact O-N 3.13Å; H1283-R1287 PolarHBondContact O-N 2.89Å; H1283-L1319 HydrophobicContact CB-CB 4.5Å |
| 1284 | D | 91.3 | Very high | 92.5 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 174.6 | -63.4 | -74 | 0 | 0 | 0 | 110.8 | R1280 T1281 K1286 R1287 D1288 | R1280-D1284 HydrophobicContact CB-CB 4.5Å; T1281-D1284 WeakPolarHBondContact CB-OD2 3.48Å; T1281-D1284 WeakPolarHBondContact CG2-OD2 3.38Å; T1281-D1284 PolarHBondContact N-OD2 2.74Å; T1281-D1284 VanDerWaalsContact N-OD2 3.17Å; T1281-D1284 PolarHBondContact O-N 2.91Å; T1281-D1284 PolarHBondContact OG1-N 2.87Å; T1281-D1284 VanDerWaalsContact OG1-N 3.07Å; T1281-D1284 PolarHBondContact OG1-OD2 3.04Å; D1284-K1286 VanDerWaalsContact C-N 3.25Å; D1284-K1286 PolarHBondContact O-N 2.88Å; D1284-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 VanDerWaalsContact O-N 3.13Å; D1284-R1287 IonicContact OD1-CZ 2.71Å; D1284-R1287 IonicContact OD1-NH1 3.71Å; D1284-R1287 PolarHBondContact OD1-NH1 3.3Å; D1284-R1287 IonicContact OD1-NH2 2.68Å; D1284-R1287 PolarHBondContact OD1-NH2 2.68Å; D1284-D1288 WeakPolarHBondContact O-CB 3.14Å; D1284-D1288 PolarHBondContact O-N 3.45Å |
| 1285 | L | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -38.3 | 176 | -175.9 | 58.7 | 0 | 0 | 0 | 112.4 | A1279 T1281 H1283 H1289 K1292 Y1297 L1316 | A1279-L1285 HydrophobicContact CB-CB 3.68Å; A1279-L1285 HydrophobicContact CB-CD1 4.16Å; A1279-L1285 HydrophobicContact CB-CG 4.36Å; T1281-L1285 PolarHBondContact O-N 3Å; H1283-L1285 VanDerWaalsContact C-N 3.34Å; H1283-L1285 PolarHBondContact O-N 2.91Å; L1285-H1289 HydrophobicContact CD1-CB 4.21Å; L1285-H1289 CarbonylContact O-C 3.24Å; L1285-H1289 WeakPolarHBondContact O-CA 3.34Å; L1285-H1289 VanDerWaalsContact O-CB 3.3Å; L1285-H1289 WeakPolarHBondContact O-CB 3.5Å; L1285-H1289 PolarHBondContact O-N 3.11Å; L1285-K1292 HydrophobicContact CD1-CD 4.34Å; L1285-K1292 HydrophobicContact CD1-CG 4.26Å; L1285-K1292 HydrophobicContact CG-CG 4.47Å; L1285-Y1297 HydrophobicContact CD2-CD1 3.85Å; L1285-Y1297 HydrophobicContact CD2-CD2 3.64Å; L1285-Y1297 HydrophobicContact CD2-CE1 4.35Å; L1285-Y1297 HydrophobicContact CD2-CE2 4.14Å; L1285-Y1297 HydrophobicContact CD2-CG 3.46Å; L1285-Y1297 VanDerWaalsContact CD2-CG 3.46Å; L1285-L1316 HydrophobicContact CB-CD2 4.39Å; L1285-L1316 HydrophobicContact CD2-CD2 4.32Å; L1285-L1316 HydrophobicContact CG-CD2 4.41Å |
| 1286 | K | 93.3 | Very high | 92.9 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -76.7 | -33.2 | 178.6 | -167.7 | 46.4 | 160.7 | 179.1 | 0 | 113.5 | C1282 H1283 D1284 P1290 K1292 L1316 L1319 | C1282-K1286 PolarHBondContact O-N 2.93Å; C1282-K1286 VanDerWaalsContact O-N 3.1Å; H1283-K1286 PolarHBondContact O-N 2.96Å; H1283-K1286 VanDerWaalsContact O-N 3.13Å; D1284-K1286 VanDerWaalsContact C-N 3.25Å; D1284-K1286 PolarHBondContact O-N 2.88Å; K1286-P1290 PolarHBondContact NZ-O 3.21Å; K1286-K1292 PolarHBondContact NZ-O 3.43Å; K1286-L1316 HydrophobicContact CB-CB 4.3Å; K1286-L1316 HydrophobicContact CB-CD2 4.01Å; K1286-L1316 HydrophobicContact CD-CB 3.89Å; K1286-L1316 HydrophobicContact CD-CD1 4.39Å; K1286-L1316 HydrophobicContact CG-CB 4.14Å; K1286-L1319 HydrophobicContact CB-CD2 3.58Å; K1286-L1319 HydrophobicContact CG-CD2 3.59Å |
| 1287 | R | 90 | Very high | 93.2 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.6 | -179.4 | -169.5 | 64.8 | -124.6 | -11.7 | 110.6 | H1283 D1284 | H1283-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 VanDerWaalsContact O-N 3.13Å; D1284-R1287 IonicContact OD1-CZ 2.71Å; D1284-R1287 IonicContact OD1-NH1 3.71Å; D1284-R1287 PolarHBondContact OD1-NH1 3.3Å; D1284-R1287 IonicContact OD1-NH2 2.68Å; D1284-R1287 PolarHBondContact OD1-NH2 2.68Å |
| 1288 | D | 89.5 | Confident | 93.5 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -89 | -25.8 | -169.8 | -55.2 | -26.3 | 0 | 0 | 0 | 112.5 | D1284 | D1284-D1288 WeakPolarHBondContact O-CB 3.14Å; D1284-D1288 PolarHBondContact O-N 3.45Å |
| 1289 | H | 91.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | trans | -126.5 | 74.6 | 173.2 | -71.7 | -82.1 | 0 | 0 | 0 | 112.4 | L1285 E1291 K1292 | L1285-H1289 HydrophobicContact CD1-CB 4.21Å; L1285-H1289 CarbonylContact O-C 3.24Å; L1285-H1289 WeakPolarHBondContact O-CA 3.34Å; L1285-H1289 VanDerWaalsContact O-CB 3.3Å; L1285-H1289 WeakPolarHBondContact O-CB 3.5Å; L1285-H1289 PolarHBondContact O-N 3.11Å; H1289-E1291 VanDerWaalsContact CA-OE2 3.3Å; H1289-E1291 WeakPolarHBondContact CA-OE2 3.43Å; H1289-E1291 WeakPolarHBondContact CB-OE1 3.42Å; H1289-E1291 IonicContact CG-OE1 3.42Å; H1289-E1291 IonicContact ND1-OE1 3.77Å; H1289-E1291 PolarHBondContact ND1-OE1 3.36Å; H1289-E1291 PolarHBondContact O-N 3.26Å; H1289-K1292 HydrophobicContact CB-CD 4.32Å; H1289-K1292 HydrophobicContact CB-CG 3.44Å; H1289-K1292 VanDerWaalsContact CB-CG 3.44Å; H1289-K1292 WeakPolarHBondContact O-CB 3.1Å; H1289-K1292 WeakPolarHBondContact O-CG 3.33Å; H1289-K1292 PolarHBondContact O-N 3.25Å; H1289-K1292 VanDerWaalsContact O-N 3.09Å | ||
| 1290 | P | 91.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.2 | -178.6 | -26 | 36.2 | 0 | 0 | 0 | 114.9 | K1286 K1292 | K1286-P1290 PolarHBondContact NZ-O 3.21Å; P1290-K1292 VanDerWaalsContact C-N 3.32Å; P1290-K1292 PolarHBondContact O-N 3.39Å |
| 1291 | E | 92.3 | Very high | 93.7 | Very high | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.4 | 178.8 | 77.9 | -70.3 | 171.9 | 0 | 0 | 114.3 | H1289 | H1289-E1291 VanDerWaalsContact CA-OE2 3.3Å; H1289-E1291 WeakPolarHBondContact CA-OE2 3.43Å; H1289-E1291 WeakPolarHBondContact CB-OE1 3.42Å; H1289-E1291 IonicContact CG-OE1 3.42Å; H1289-E1291 IonicContact ND1-OE1 3.77Å; H1289-E1291 PolarHBondContact ND1-OE1 3.36Å; H1289-E1291 PolarHBondContact O-N 3.26Å |
| 1292 | K | 93 | Very high | 93.6 | Very high | 42 Ų | 42 | 52 Ų | 52 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | trans | -68.5 | 147 | -180 | -57.6 | -93.9 | 175.3 | 162.1 | 0 | 110.5 | S1272 L1285 K1286 H1289 P1290 Y1297 L1316 | S1272-K1292 PolarHBondContact O-NZ 2.83Å; L1285-K1292 HydrophobicContact CD1-CD 4.34Å; L1285-K1292 HydrophobicContact CD1-CG 4.26Å; L1285-K1292 HydrophobicContact CG-CG 4.47Å; K1286-K1292 PolarHBondContact NZ-O 3.43Å; H1289-K1292 HydrophobicContact CB-CD 4.32Å; H1289-K1292 HydrophobicContact CB-CG 3.44Å; H1289-K1292 VanDerWaalsContact CB-CG 3.44Å; H1289-K1292 WeakPolarHBondContact O-CB 3.1Å; H1289-K1292 WeakPolarHBondContact O-CG 3.33Å; H1289-K1292 PolarHBondContact O-N 3.25Å; H1289-K1292 VanDerWaalsContact O-N 3.09Å; P1290-K1292 VanDerWaalsContact C-N 3.32Å; P1290-K1292 PolarHBondContact O-N 3.39Å; K1292-Y1297 HydrophobicContact CD-CE1 3.77Å; K1292-L1316 HydrophobicContact CB-CD1 3.41Å; K1292-L1316 VanDerWaalsContact CB-CD1 3.41Å | ||
| 1293 | K | 95.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | trans | -117.4 | 166.3 | 178.4 | -55.1 | -175.4 | -159.1 | 148 | 0 | 110.2 | Q1217 G1295 Y1297 L1316 | Q1217-K1293 VanDerWaalsContact OE1-CD 3.31Å; Q1217-K1293 VanDerWaalsContact OE1-CE 3.3Å; K1293-G1295 PolarHBondContact O-N 2.74Å; K1293-Y1297 WeakPolarHBondContact O-CE2 3.45Å; K1293-Y1297 PolarHBondContact O-OH 2.78Å; K1293-L1316 WeakPolarHBondContact O-CD1 3.39Å | ||
| 1294 | D | 96.1 | Very high | 92.9 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -55 | 132.3 | 179.5 | -56.5 | -4.5 | 0 | 0 | 0 | 111.4 | C1314 L1316 S1317 | D1294-C1314 VanDerWaalsContact CA-O 3.23Å; D1294-C1314 WeakPolarHBondContact CA-O 3.14Å; D1294-L1316 WeakPolarHBondContact OD1-CA 3.47Å; D1294-L1316 WeakPolarHBondContact OD1-CB 3.16Å; D1294-L1316 PolarHBondContact OD1-N 3.4Å; D1294-S1317 PolarHBondContact OD1-N 2.85Å; D1294-S1317 WeakPolarHBondContact OD2-CB 3Å; D1294-S1317 PolarHBondContact OD2-OG 3.4Å |
| 1295 | G | 95.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -179.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1293 Y1297 C1314 | K1293-G1295 PolarHBondContact O-N 2.74Å; G1295-Y1297 WeakPolarHBondContact O-CD2 3.1Å; G1295-C1314 PolarHBondContact N-O 3.11Å; G1295-C1314 VanDerWaalsContact N-O 3.07Å; G1295-C1314 PolarHBondContact O-N 3.17Å |
| 1296 | I | 96.7 | Very high | 92.4 | Very high | 127 Ų | 127 | 58.2 Ų | 58.2 | 65% | 0.651 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130.8 | 177.9 | -58.5 | 175.2 | 0 | 0 | 0 | 109.6 | V1312 Y1313 | I1296-V1312 VanDerWaalsContact CA-O 3.32Å; I1296-V1312 WeakPolarHBondContact CA-O 3.27Å; I1296-Y1313 HydrophobicContact CG1-CD2 4.31Å |
| 1297 | Y | 96.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 63 Ų | 63 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 164.2 | 176.5 | -65.6 | -76.9 | 0 | 0 | 0 | 110.4 | L1285 K1292 K1293 G1295 S1311 V1312 C1314 L1316 | L1285-Y1297 HydrophobicContact CD2-CD1 3.85Å; L1285-Y1297 HydrophobicContact CD2-CD2 3.64Å; L1285-Y1297 HydrophobicContact CD2-CE1 4.35Å; L1285-Y1297 HydrophobicContact CD2-CE2 4.14Å; L1285-Y1297 HydrophobicContact CD2-CG 3.46Å; L1285-Y1297 VanDerWaalsContact CD2-CG 3.46Å; K1292-Y1297 HydrophobicContact CD-CE1 3.77Å; K1293-Y1297 WeakPolarHBondContact O-CE2 3.45Å; K1293-Y1297 PolarHBondContact O-OH 2.78Å; G1295-Y1297 WeakPolarHBondContact O-CD2 3.1Å; Y1297-S1311 WeakPolarHBondContact O-CA 3.3Å; Y1297-V1312 PolarHBondContact N-O 3.05Å; Y1297-V1312 PolarHBondContact O-N 3.26Å; Y1297-C1314 HydrophobicContact CD2-CB 3.85Å; Y1297-C1314 HydrophobicContact CE2-CB 4.45Å; Y1297-L1316 HydrophobicContact CE2-CD1 4.18Å |
| 1298 | Y | 96.1 | Very high | 92.2 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.1 | 169.9 | -75.2 | -97.6 | 0 | 0 | 0 | 110.5 | G1273 Q1275 P1278 A1279 I1310 | G1273-Y1298 WeakPolarHBondContact CA-O 3.34Å; G1273-Y1298 PolarHBondContact O-N 3.42Å; Q1275-Y1298 HydrophobicContact CB-CD1 4.14Å; Q1275-Y1298 HydrophobicContact CB-CD2 3.86Å; Q1275-Y1298 HydrophobicContact CB-CE1 4.13Å; Q1275-Y1298 HydrophobicContact CB-CE2 3.85Å; Q1275-Y1298 HydrophobicContact CB-CG 4.01Å; Q1275-Y1298 HydrophobicContact CG-CD1 4.01Å; Q1275-Y1298 HydrophobicContact CG-CE1 3.77Å; Q1275-Y1298 HydrophobicContact CG-CE2 4.35Å; Q1275-Y1298 HydrophobicContact CG-CG 4.39Å; P1278-Y1298 WeakPolarHBondContact CA-O 3.28Å; A1279-Y1298 PolarHBondContact N-O 3.35Å; Y1298-I1310 CarbonylContact C-O 3.44Å; Y1298-I1310 WeakPolarHBondContact CA-O 3.17Å |
| 1299 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | A1279 P1301 G1309 I1310 V1312 T1321 | A1279-V1299 HydrophobicContact CB-CG1 4.45Å; A1279-V1299 CarbonylContact O-C 3.5Å; A1279-V1299 WeakPolarHBondContact O-CA 3.29Å; A1279-V1299 VanDerWaalsContact O-CB 3.23Å; A1279-V1299 WeakPolarHBondContact O-CB 3.29Å; V1299-P1301 HydrophobicContact CG2-CG 4.37Å; V1299-G1309 CarbonylContact O-C 3.59Å; V1299-G1309 VanDerWaalsContact O-CA 3.28Å; V1299-G1309 WeakPolarHBondContact O-CA 3.32Å; V1299-I1310 HydrophobicContact CG2-CD1 4.04Å; V1299-I1310 HydrophobicContact CG2-CG1 3.71Å; V1299-I1310 PolarHBondContact N-O 3.13Å; V1299-I1310 VanDerWaalsContact O-CG1 3.32Å; V1299-I1310 WeakPolarHBondContact O-CG1 3.32Å; V1299-I1310 PolarHBondContact O-N 2.97Å; V1299-V1312 HydrophobicContact CB-CG2 4.21Å; V1299-V1312 HydrophobicContact CG1-CG2 3.7Å; V1299-V1312 HydrophobicContact CG2-CB 4.26Å; V1299-V1312 HydrophobicContact CG2-CG1 3.72Å; V1299-V1312 HydrophobicContact CG2-CG2 3.5Å; V1299-V1312 VanDerWaalsContact CG2-CG2 3.5Å; V1299-T1321 HydrophobicContact CG2-CG2 4.34Å |
| 1300 | D | 95.2 | Very high | 92.5 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | trans | -132.6 | 77.3 | -175.9 | -163.9 | 38.3 | 0 | 0 | 0 | 110.7 | P1278 A1279 R1280 N1302 G1303 G1304 Q1365 | P1278-D1300 HydrophobicContact CB-CB 3.86Å; P1278-D1300 HydrophobicContact CG-CB 3.6Å; A1279-D1300 PolarHBondContact O-N 2.71Å; R1280-D1300 CarbonylContact O-C 3.52Å; D1300-N1302 PolarHBondContact O-N 2.92Å; D1300-N1302 PolarHBondContact OD1-OD1 3Å; D1300-G1303 PolarHBondContact O-N 3.22Å; D1300-G1303 VanDerWaalsContact O-N 3.12Å; D1300-G1303 WeakPolarHBondContact OD2-CA 3.4Å; D1300-G1304 PolarHBondContact OD2-N 3.31Å; D1300-Q1365 PolarHBondContact OD1-NE2 2.76Å | ||
| 1301 | P | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -61.1 | -42 | -173 | -28.1 | 35.5 | 0 | 0 | 0 | 115.2 | R1280 V1299 G1303 I1310 Q1365 F1368 L1369 | R1280-P1301 PolarHBondContact NE-O 2.78Å; R1280-P1301 PolarHBondContact NH2-O 3.46Å; R1280-P1301 WeakPolarHBondContact O-CA 3.33Å; V1299-P1301 HydrophobicContact CG2-CG 4.37Å; P1301-G1303 VanDerWaalsContact C-N 3.26Å; P1301-G1303 PolarHBondContact O-N 2.9Å; P1301-I1310 HydrophobicContact CG-CD1 4.36Å; P1301-Q1365 VanDerWaalsContact CD-OE1 3.25Å; P1301-F1368 HydrophobicContact CB-CB 3.83Å; P1301-L1369 HydrophobicContact CB-CB 4.13Å; P1301-L1369 HydrophobicContact CG-CB 4.06Å; P1301-L1369 HydrophobicContact CG-CD1 4.25Å |
| 1302 | N | 91.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -61 | -38.9 | 172.9 | 64.1 | -8.9 | 0 | 0 | 0 | 111.1 | D1300 D1308 Q1365 F1368 | D1300-N1302 PolarHBondContact O-N 2.92Å; D1300-N1302 PolarHBondContact OD1-OD1 3Å; N1302-D1308 PolarHBondContact ND2-OD2 3.09Å; N1302-Q1365 VanDerWaalsContact OD1-CD 3.25Å; N1302-Q1365 PolarHBondContact OD1-NE2 3.12Å; N1302-Q1365 PolarHBondContact OD1-OE1 2.63Å; N1302-F1368 VanDerWaalsContact CA-CG 3.5Å; N1302-F1368 HydrophobicContact CB-CB 4.37Å; N1302-F1368 HydrophobicContact CB-CD1 4.44Å; N1302-F1368 HydrophobicContact CB-CD2 3.41Å; N1302-F1368 VanDerWaalsContact CB-CD2 3.41Å; N1302-F1368 HydrophobicContact CB-CE2 3.68Å; N1302-F1368 HydrophobicContact CB-CG 3.84Å; N1302-F1368 HydrophobicContact CB-CZ 4.3Å |
| 1303 | G | 87.1 | Confident | 93 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | trans | 69.7 | 147.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 111 | D1300 P1301 | D1300-G1303 PolarHBondContact O-N 3.22Å; D1300-G1303 VanDerWaalsContact O-N 3.12Å; D1300-G1303 WeakPolarHBondContact OD2-CA 3.4Å; P1301-G1303 VanDerWaalsContact C-N 3.26Å; P1301-G1303 PolarHBondContact O-N 2.9Å | ||
| 1304 | G | 85.3 | Confident | 93.1 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 74% | 0.742 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 154.8 | -91.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1300 | D1300-G1304 PolarHBondContact OD2-N 3.31Š|
| 1305 | H | 87.2 | Confident | 93 | Very high | 57 Ų | 57 | 49 Ų | 49 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | trans | -131.5 | 60.9 | -170.3 | -166.5 | -77.4 | 0 | 0 | 0 | 112.5 | E1196 R1307 D1308 | E1196-H1305 IonicContact OE1-CE1 3.47Å; E1196-H1305 PolarHBondContact OE1-CE1 2.84Å; E1196-H1305 IonicContact OE1-NE2 3.09Å; E1196-H1305 IonicContact OE2-CE1 3.11Å; E1196-H1305 IonicContact OE2-NE2 3.27Å; H1305-R1307 WeakPolarHBondContact O-CA 3.39Å; H1305-R1307 WeakPolarHBondContact O-CB 3.47Å; H1305-R1307 PolarHBondContact O-N 2.96Å; H1305-D1308 PolarHBondContact N-OD1 3.33Å; H1305-D1308 PolarHBondContact O-N 3.06Å | ||
| 1306 | W | 88.1 | Confident | 92.9 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | 29.3 | -42.3 | 156.9 | 68.3 | -92.6 | 0 | 0 | 0 | 120.6 | F1276 P1278 D1308 G1309 | F1276-W1306 HydrophobicContact CD1-CE3 4.06Å; F1276-W1306 AromaticContact CD1-CH2 3.8Å; F1276-W1306 HydrophobicContact CD1-CH2 3.8Å; F1276-W1306 AromaticContact CD1-CZ3 3.45Å; F1276-W1306 HydrophobicContact CD1-CZ3 3.45Å; F1276-W1306 VanDerWaalsContact CD1-CZ3 3.45Å; F1276-W1306 AromaticContact CE1-CH2 3.97Å; F1276-W1306 HydrophobicContact CE1-CH2 3.97Å; F1276-W1306 AromaticContact CE1-CZ3 3.72Å; F1276-W1306 HydrophobicContact CE1-CZ3 3.72Å; P1278-W1306 HydrophobicContact CG-CB 4.01Å; W1306-D1308 PolarHBondContact N-OD1 3.39Å; W1306-D1308 PolarHBondContact O-N 2.79Å; W1306-G1309 WeakPolarHBondContact O-CA 3.43Å; W1306-G1309 PolarHBondContact O-N 3.12Å |
| 1307 | R | 88.3 | Confident | 92.5 | Very high | 161 Ų | 161 | 45.9 Ų | 45.9 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -52.6 | -32.3 | 163.1 | -62.3 | -178.7 | -179.8 | -83.4 | 9.1 | 113.2 | E1196 H1305 G1309 | E1196-R1307 IonicContact OE1-CZ 3.79Å; E1196-R1307 IonicContact OE1-NE 2.8Å; E1196-R1307 PolarHBondContact OE1-NE 3.23Å; E1196-R1307 IonicContact OE1-NH2 3.83Å; E1196-R1307 PolarHBondContact OE1-NH2 3.37Å; H1305-R1307 WeakPolarHBondContact O-CA 3.39Å; H1305-R1307 WeakPolarHBondContact O-CB 3.47Å; H1305-R1307 PolarHBondContact O-N 2.96Å; R1307-G1309 VanDerWaalsContact C-N 3.3Å |
| 1308 | D | 91.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -86.7 | -0.6 | 174.3 | 64.2 | -40.8 | 0 | 0 | 0 | 113.5 | N1302 H1305 W1306 Q1365 | N1302-D1308 PolarHBondContact ND2-OD2 3.09Å; H1305-D1308 PolarHBondContact N-OD1 3.33Å; H1305-D1308 PolarHBondContact O-N 3.06Å; W1306-D1308 PolarHBondContact N-OD1 3.39Å; W1306-D1308 PolarHBondContact O-N 2.79Å; D1308-Q1365 PolarHBondContact O-NE2 2.85Å |
| 1309 | G | 92.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 132.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1299 W1306 R1307 | V1299-G1309 CarbonylContact O-C 3.59Å; V1299-G1309 VanDerWaalsContact O-CA 3.28Å; V1299-G1309 WeakPolarHBondContact O-CA 3.32Å; W1306-G1309 WeakPolarHBondContact O-CA 3.43Å; W1306-G1309 PolarHBondContact O-N 3.12Å; R1307-G1309 VanDerWaalsContact C-N 3.3Å |
| 1310 | I | 94.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 144.1 | -173.4 | 52.8 | 171 | 0 | 0 | 0 | 111.6 | Y1298 V1299 P1301 V1312 I1361 P1362 Q1365 | Y1298-I1310 CarbonylContact C-O 3.44Å; Y1298-I1310 WeakPolarHBondContact CA-O 3.17Å; V1299-I1310 HydrophobicContact CG2-CD1 4.04Å; V1299-I1310 HydrophobicContact CG2-CG1 3.71Å; V1299-I1310 PolarHBondContact N-O 3.13Å; V1299-I1310 VanDerWaalsContact O-CG1 3.32Å; V1299-I1310 WeakPolarHBondContact O-CG1 3.32Å; V1299-I1310 PolarHBondContact O-N 2.97Å; P1301-I1310 HydrophobicContact CG-CD1 4.36Å; I1310-V1312 HydrophobicContact CD1-CG1 3.73Å; I1310-V1312 HydrophobicContact CG1-CG1 3.91Å; I1310-I1361 HydrophobicContact CD1-CB 4.48Å; I1310-I1361 HydrophobicContact CD1-CD1 3.45Å; I1310-I1361 VanDerWaalsContact CD1-CD1 3.45Å; I1310-I1361 HydrophobicContact CD1-CG1 3.74Å; I1310-P1362 HydrophobicContact CG2-CG 4.39Å; I1310-Q1365 HydrophobicContact CG2-CB 4.48Å; I1310-Q1365 HydrophobicContact CG2-CG 4.29Å |
| 1311 | S | 95.5 | Very high | 91.9 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127 | 168.5 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | Y1297 | Y1297-S1311 WeakPolarHBondContact O-CA 3.3Å |
| 1312 | V | 96.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.7 | -175.3 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | I1296 Y1297 V1299 I1310 T1321 V1323 | I1296-V1312 VanDerWaalsContact CA-O 3.32Å; I1296-V1312 WeakPolarHBondContact CA-O 3.27Å; Y1297-V1312 PolarHBondContact N-O 3.05Å; Y1297-V1312 PolarHBondContact O-N 3.26Å; V1299-V1312 HydrophobicContact CB-CG2 4.21Å; V1299-V1312 HydrophobicContact CG1-CG2 3.7Å; V1299-V1312 HydrophobicContact CG2-CB 4.26Å; V1299-V1312 HydrophobicContact CG2-CG1 3.72Å; V1299-V1312 HydrophobicContact CG2-CG2 3.5Å; V1299-V1312 VanDerWaalsContact CG2-CG2 3.5Å; I1310-V1312 HydrophobicContact CD1-CG1 3.73Å; I1310-V1312 HydrophobicContact CG1-CG1 3.91Å; V1312-T1321 HydrophobicContact CB-CG2 4.02Å; V1312-T1321 HydrophobicContact CG1-CG2 3.93Å; V1312-T1321 HydrophobicContact CG2-CG2 4.02Å; V1312-V1323 HydrophobicContact CG1-CG2 4.2Å |
| 1313 | Y | 96.2 | Very high | 92.3 | Very high | 93 Ų | 93 | 43 Ų | 43 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 112.4 | 165.7 | -176.4 | -92.6 | 0 | 0 | 0 | 109.2 | I1296 R1315 C1322 | I1296-Y1313 HydrophobicContact CG1-CD2 4.31Å; Y1313-R1315 HydrophobicContact CE1-CB 4.2Å; Y1313-C1322 HydrophobicContact CD1-CB 4.38Å; Y1313-C1322 PolarHBondContact N-O 2.96Å; Y1313-C1322 WeakPolarHBondContact O-CA 3.38Å; Y1313-C1322 VanDerWaalsContact O-CB 3.3Å; Y1313-C1322 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1322 PolarHBondContact O-N 3Å |
| 1314 | C | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.4 | 171.2 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | C1282 D1294 G1295 Y1297 L1316 | C1282-C1314 HydrophobicContact CB-CB 3.53Å; C1282-C1314 WeakPolarHBondContact CB-SG 3.27Å; C1282-C1314 WeakPolarHBondContact SG-CA 3.23Å; C1282-C1314 WeakPolarHBondContact SG-CB 3.25Å; C1282-C1314 CovalentContact SG-SG 2.03Å; C1282-C1314 PolarHBondContact SG-SG 2.72Å; D1294-C1314 VanDerWaalsContact CA-O 3.23Å; D1294-C1314 WeakPolarHBondContact CA-O 3.14Å; G1295-C1314 PolarHBondContact N-O 3.11Å; G1295-C1314 VanDerWaalsContact N-O 3.07Å; G1295-C1314 PolarHBondContact O-N 3.17Å; Y1297-C1314 HydrophobicContact CD2-CB 3.85Å; Y1297-C1314 HydrophobicContact CE2-CB 4.45Å; C1314-L1316 HydrophobicContact CB-CD2 3.52Å; C1314-L1316 HydrophobicContact CB-CG 3.83Å; C1314-L1316 PolarHBondContact O-N 3.23Å |
| 1315 | R | 94.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 32% | 0.317 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 79.1 | 160.9 | -171.6 | -180 | -67.1 | 133 | -0.5 | 107.8 | Y1313 S1317 G1318 L1319 E1320 | Y1313-R1315 HydrophobicContact CE1-CB 4.2Å; R1315-S1317 VanDerWaalsContact CG-OG 3.27Å; R1315-S1317 WeakPolarHBondContact CG-OG 3.46Å; R1315-S1317 PolarHBondContact O-N 2.88Å; R1315-G1318 CarbonylContact O-C 3.56Å; R1315-G1318 PolarHBondContact O-N 2.97Å; R1315-L1319 PolarHBondContact O-N 3.48Å; R1315-E1320 HydrophobicContact CB-CB 4.22Å; R1315-E1320 WeakPolarHBondContact CD-OE2 3Å; R1315-E1320 IonicContact CZ-OE2 3.47Å; R1315-E1320 PolarHBondContact N-O 2.04Å; R1315-E1320 IonicContact NE-OE2 3.61Å; R1315-E1320 IonicContact NH1-OE1 3.73Å; R1315-E1320 IonicContact NH1-OE2 3.57Å; R1315-E1320 PolarHBondContact NH1-OE2 3.47Å; R1315-E1320 PolarHBondContact O-N 3.11Å |
| 1316 | L | 92.2 | Very high | 93 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.9 | -179.2 | -55.9 | 179.1 | 0 | 0 | 0 | 112.4 | C1282 L1285 K1286 K1292 K1293 D1294 Y1297 C1314 G1318 L1319 | C1282-L1316 HydrophobicContact CB-CD2 4.07Å; C1282-L1316 WeakPolarHBondContact O-CD2 3.23Å; L1285-L1316 HydrophobicContact CB-CD2 4.39Å; L1285-L1316 HydrophobicContact CD2-CD2 4.32Å; L1285-L1316 HydrophobicContact CG-CD2 4.41Å; K1286-L1316 HydrophobicContact CB-CB 4.3Å; K1286-L1316 HydrophobicContact CB-CD2 4.01Å; K1286-L1316 HydrophobicContact CD-CB 3.89Å; K1286-L1316 HydrophobicContact CD-CD1 4.39Å; K1286-L1316 HydrophobicContact CG-CB 4.14Å; K1292-L1316 HydrophobicContact CB-CD1 3.41Å; K1292-L1316 VanDerWaalsContact CB-CD1 3.41Å; K1293-L1316 WeakPolarHBondContact O-CD1 3.39Å; D1294-L1316 WeakPolarHBondContact OD1-CA 3.47Å; D1294-L1316 WeakPolarHBondContact OD1-CB 3.16Å; D1294-L1316 PolarHBondContact OD1-N 3.4Å; Y1297-L1316 HydrophobicContact CE2-CD1 4.18Å; C1314-L1316 HydrophobicContact CB-CD2 3.52Å; C1314-L1316 HydrophobicContact CB-CG 3.83Å; C1314-L1316 PolarHBondContact O-N 3.23Å; L1316-G1318 VanDerWaalsContact C-N 3.26Å; L1316-G1318 PolarHBondContact O-N 3.13Å; L1316-L1319 PolarHBondContact O-N 2.95Å |
| 1317 | S | 89.8 | Confident | 92.8 | Very high | 75 Ų | 75 | 40 Ų | 40 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.2 | 169.8 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | D1294 R1315 | D1294-S1317 PolarHBondContact OD1-N 2.85Å; D1294-S1317 WeakPolarHBondContact OD2-CB 3Å; D1294-S1317 PolarHBondContact OD2-OG 3.4Å; R1315-S1317 VanDerWaalsContact CG-OG 3.27Å; R1315-S1317 WeakPolarHBondContact CG-OG 3.46Å; R1315-S1317 PolarHBondContact O-N 2.88Å |
| 1318 | G | 87.4 | Confident | 92.3 | Very high | 27 Ų | 27 | 36 Ų | 36 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -3.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1315 L1316 E1320 G1470 | R1315-G1318 CarbonylContact O-C 3.56Å; R1315-G1318 PolarHBondContact O-N 2.97Å; L1316-G1318 VanDerWaalsContact C-N 3.26Å; L1316-G1318 PolarHBondContact O-N 3.13Å; G1318-E1320 VanDerWaalsContact C-N 3.29Å; G1318-G1470 WeakPolarHBondContact O-CA 3.29Å |
| 1319 | L | 92.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.2 | -169.1 | -53.1 | 173.8 | 0 | 0 | 0 | 113.5 | H1283 K1286 R1315 L1316 G1470 | H1283-L1319 HydrophobicContact CB-CB 4.5Å; K1286-L1319 HydrophobicContact CB-CD2 3.58Å; K1286-L1319 HydrophobicContact CG-CD2 3.59Å; R1315-L1319 PolarHBondContact O-N 3.48Å; L1316-L1319 PolarHBondContact O-N 2.95Å; L1319-G1470 PolarHBondContact O-N 3.26Å |
| 1320 | E | 94.5 | Very high | 91 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.6 | -177.3 | -51.5 | 170.2 | 158.5 | 0 | 0 | 112.5 | C1282 R1315 G1318 C1467 Y1468 | C1282-E1320 WeakPolarHBondContact CB-O 3.03Å; R1315-E1320 HydrophobicContact CB-CB 4.22Å; R1315-E1320 WeakPolarHBondContact CD-OE2 3Å; R1315-E1320 IonicContact CZ-OE2 3.47Å; R1315-E1320 PolarHBondContact N-O 2.04Å; R1315-E1320 IonicContact NE-OE2 3.61Å; R1315-E1320 IonicContact NH1-OE1 3.73Å; R1315-E1320 IonicContact NH1-OE2 3.57Å; R1315-E1320 PolarHBondContact NH1-OE2 3.47Å; R1315-E1320 PolarHBondContact O-N 3.11Å; G1318-E1320 VanDerWaalsContact C-N 3.29Å; E1320-C1467 HydrophobicContact CB-CB 4.2Å; E1320-Y1468 CarbonylContact C-O 2.86Å; E1320-Y1468 WeakPolarHBondContact CA-O 3.44Å |
| 1321 | T | 96.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 108.6 | 164.5 | -67.7 | 0 | 0 | 0 | 0 | 109.5 | C1282 V1299 V1312 L1369 C1467 Y1468 | C1282-T1321 WeakPolarHBondContact CB-OG1 3.32Å; C1282-T1321 PolarHBondContact N-OG1 3.45Å; C1282-T1321 PolarHBondContact SG-OG1 2.97Å; V1299-T1321 HydrophobicContact CG2-CG2 4.34Å; V1312-T1321 HydrophobicContact CB-CG2 4.02Å; V1312-T1321 HydrophobicContact CG1-CG2 3.93Å; V1312-T1321 HydrophobicContact CG2-CG2 4.02Å; T1321-L1369 HydrophobicContact CG2-CD1 3.87Å; T1321-L1369 HydrophobicContact CG2-CD2 3.78Å; T1321-L1369 HydrophobicContact CG2-CG 4.49Å; T1321-C1467 WeakPolarHBondContact O-CA 3.19Å; T1321-Y1468 PolarHBondContact N-O 3Å; T1321-Y1468 PolarHBondContact O-N 3.36Å |
| 1322 | C | 96.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.9 | -179.6 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | Y1313 I1466 C1467 | Y1313-C1322 HydrophobicContact CD1-CB 4.38Å; Y1313-C1322 PolarHBondContact N-O 2.96Å; Y1313-C1322 WeakPolarHBondContact O-CA 3.38Å; Y1313-C1322 VanDerWaalsContact O-CB 3.3Å; Y1313-C1322 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1322 PolarHBondContact O-N 3Å; C1322-I1466 CarbonylContact C-O 3.44Å; C1322-I1466 VanDerWaalsContact CA-O 3.3Å; C1322-I1466 WeakPolarHBondContact CA-O 3.26Å; C1322-C1467 HydrophobicContact CB-CB 4.14Å; C1322-C1467 WeakPolarHBondContact CB-SG 3.4Å; C1322-C1467 WeakPolarHBondContact SG-CB 3.28Å; C1322-C1467 CovalentContact SG-SG 2.05Å; C1322-C1467 PolarHBondContact SG-SG 3.17Å |
| 1323 | V | 95.7 | Very high | 89 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | V1312 I1361 L1369 T1465 I1466 | V1312-V1323 HydrophobicContact CG1-CG2 4.2Å; V1323-I1361 HydrophobicContact CG1-CB 3.88Å; V1323-I1361 HydrophobicContact CG1-CG2 3.81Å; V1323-I1361 HydrophobicContact CG2-CD1 4.1Å; V1323-L1369 HydrophobicContact CG2-CD2 4.11Å; V1323-T1465 WeakPolarHBondContact O-CA 3.43Å; V1323-I1466 HydrophobicContact CB-CG2 4.01Å; V1323-I1466 PolarHBondContact N-O 2.81Å; V1323-I1466 WeakPolarHBondContact O-CG2 3.32Å; V1323-I1466 PolarHBondContact O-N 3.35Å |
| 1324 | S | 93.8 | Very high | 88.4 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | trans | -80.9 | 149.4 | 174.6 | -66 | 0 | 0 | 0 | 0 | 112.3 | N1360 T1465 | S1324-N1360 PolarHBondContact O-N 2.82Å; S1324-N1360 PolarHBondContact O-ND2 3.23Å; S1324-T1465 VanDerWaalsContact OG-CG2 3.32Å; S1324-T1465 WeakPolarHBondContact OG-CG2 3.04Å | ||
| 1325 | P | 92.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 158.9 | 163.6 | 31.2 | -36.6 | 0 | 0 | 0 | 110.9 | T1327 E1328 E1358 Y1359 N1360 V1463 | P1325-T1327 PolarHBondContact O-N 3.25Å; P1325-E1328 HydrophobicContact CG-CB 4.48Å; P1325-E1328 HydrophobicContact CG-CG 3.88Å; P1325-E1358 WeakPolarHBondContact CA-O 3.23Å; P1325-Y1359 HydrophobicContact CB-CD1 4.01Å; P1325-Y1359 HydrophobicContact CB-CE1 3.96Å; P1325-N1360 PolarHBondContact O-ND2 3.2Å; P1325-N1360 VanDerWaalsContact O-ND2 3.08Å; P1325-V1463 HydrophobicContact CB-CB 4.2Å; P1325-V1463 HydrophobicContact CB-CG1 3.83Å; P1325-V1463 HydrophobicContact CG-CB 4Å; P1325-V1463 HydrophobicContact CG-CG1 3.88Å; P1325-V1463 WeakPolarHBondContact CG-O 3.48Å |
| 1326 | V | 88.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 42.4 Ų | 42.4 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.1 | -24.2 | 170.9 | 176.5 | 0 | 0 | 0 | 0 | 111 | E1358 N1360 | V1326-E1358 HydrophobicContact CB-CB 4.29Å; V1326-E1358 HydrophobicContact CG2-CB 3.89Å; V1326-E1358 HydrophobicContact CG2-CG 3.77Å; V1326-E1358 PolarHBondContact N-O 3.46Å; V1326-N1360 WeakPolarHBondContact CG2-OD1 3.39Å |
| 1327 | T | 83.7 | Confident | 85 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | trans | -141.7 | 108.4 | 179 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | P1325 Q1329 M1330 | P1325-T1327 PolarHBondContact O-N 3.25Å; T1327-Q1329 VanDerWaalsContact CG2-O 3.29Å; T1327-Q1329 WeakPolarHBondContact CG2-O 3.33Å; T1327-M1330 HydrophobicContact CG2-CG 4.18Å | ||
| 1328 | E | 77.5 | Confident | 83.7 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -74.6 | -43.8 | -177.3 | -64.3 | 176.1 | 144 | 0 | 0 | 112 | N17 P1325 E1462 V1463 | N17-E1328 PolarHBondContact ND2-OE2 2.91Å; P1325-E1328 HydrophobicContact CG-CB 4.48Å; P1325-E1328 HydrophobicContact CG-CG 3.88Å; E1328-E1462 CarbonylContact O-C 3.6Å; E1328-E1462 VanDerWaalsContact O-CA 3.3Å; E1328-E1462 WeakPolarHBondContact O-CA 3.49Å; E1328-V1463 PolarHBondContact O-N 3.16Å |
| 1329 | Q | 76.9 | Confident | 82.6 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 67% | 0.673 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 118 | 174.5 | -91.8 | -175.8 | -22.3 | 0 | 0 | 111.1 | T1327 E1462 | T1327-Q1329 VanDerWaalsContact CG2-O 3.29Å; T1327-Q1329 WeakPolarHBondContact CG2-O 3.33Å; Q1329-E1462 HydrophobicContact CG-CG 3.5Å; Q1329-E1462 PolarHBondContact NE2-OE1 2.79Å |
| 1330 | M | 78.7 | Confident | 81.3 | Confident | 31 Ų | 31 | 59 Ų | 59 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 148.2 | 173.7 | -59.1 | -168.5 | 168.6 | 0 | 0 | 111.5 | T1327 Y1345 L1349 I1357 L1461 V1463 | T1327-M1330 HydrophobicContact CG2-CG 4.18Å; M1330-Y1345 HydrophobicContact CB-CE1 3.67Å; M1330-Y1345 HydrophobicContact CG-CE1 4.39Å; M1330-Y1345 HydrophobicContact SD-CD1 4.12Å; M1330-Y1345 HydrophobicContact SD-CE1 3.89Å; M1330-L1349 HydrophobicContact CB-CD1 4.12Å; M1330-I1357 HydrophobicContact CE-CB 4.5Å; M1330-I1357 HydrophobicContact CE-CG1 4.04Å; M1330-I1357 HydrophobicContact CE-CG2 4.17Å; M1330-L1461 HydrophobicContact CB-CB 4.43Å; M1330-L1461 PolarHBondContact N-O 3.17Å; M1330-L1461 HydrophobicContact SD-CD2 4.24Å; M1330-V1463 HydrophobicContact CE-CG2 4.16Å; M1330-V1463 HydrophobicContact SD-CG2 4.45Å |
| 1331 | S | 79.4 | Confident | 80.4 | Confident | 79 Ų | 79 | 65 Ų | 65 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 146.9 | -178.7 | 21.4 | 0 | 0 | 0 | 0 | 112.8 | Y1345 L1349 | S1331-Y1345 PolarHBondContact O-OH 2.7Å; S1331-L1349 WeakPolarHBondContact OG-CD2 3.3Å |
| 1332 | S | 82.2 | Confident | 79.7 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 152.5 | 179.7 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | E1458 L1459 | S1332-E1458 WeakPolarHBondContact CB-OE1 3.48Å; S1332-E1458 PolarHBondContact OG-OE1 3.15Å; S1332-L1459 CarbonylContact C-O 3.57Å; S1332-L1459 WeakPolarHBondContact CA-O 3.38Å; S1332-L1459 WeakPolarHBondContact CB-O 3.42Å |
| 1333 | I | 83.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.3 | -174.5 | 60 | 174.2 | 0 | 0 | 0 | 110.6 | L1335 Y1345 F1348 L1349 I1449 E1458 L1459 | I1333-L1335 HydrophobicContact CD1-CD2 4.28Å; I1333-L1335 HydrophobicContact CG1-CD2 4.4Å; I1333-Y1345 HydrophobicContact CD1-CD2 3.59Å; I1333-Y1345 HydrophobicContact CD1-CE2 3.58Å; I1333-Y1345 HydrophobicContact CD1-CG 4.42Å; I1333-Y1345 HydrophobicContact CG1-CE2 4.06Å; I1333-F1348 HydrophobicContact CB-CD1 3.8Å; I1333-F1348 HydrophobicContact CB-CE1 3.75Å; I1333-F1348 HydrophobicContact CG2-CD1 3.4Å; I1333-F1348 VanDerWaalsContact CG2-CD1 3.4Å; I1333-F1348 HydrophobicContact CG2-CE1 3.7Å; I1333-L1349 HydrophobicContact CG2-CD1 4.45Å; I1333-L1349 HydrophobicContact CG2-CD2 3.44Å; I1333-L1349 VanDerWaalsContact CG2-CD2 3.44Å; I1333-L1349 HydrophobicContact CG2-CG 3.78Å; I1333-I1449 HydrophobicContact CD1-CD1 3.37Å; I1333-E1458 WeakPolarHBondContact O-CA 3.42Å; I1333-L1459 HydrophobicContact CD1-CB 4.26Å; I1333-L1459 HydrophobicContact CD1-CD2 4.34Å; I1333-L1459 HydrophobicContact CG1-CB 3.81Å; I1333-L1459 PolarHBondContact N-O 3.4Å; I1333-L1459 PolarHBondContact O-N 3.28Å |
| 1334 | Y | 84 | Confident | 78.7 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 104.5 | -179.6 | -66.5 | -80.2 | 0 | 0 | 0 | 110 | S1336 Q1337 E1458 | Y1334-S1336 PolarHBondContact O-N 3.27Å; Y1334-S1336 VanDerWaalsContact O-N 3.17Å; Y1334-Q1337 PolarHBondContact O-N 3.39Å; Y1334-E1458 HydrophobicContact CD1-CB 3.93Å; Y1334-E1458 HydrophobicContact CD1-CG 4.2Å; Y1334-E1458 HydrophobicContact CE1-CB 3.84Å; Y1334-E1458 HydrophobicContact CE1-CG 3.79Å; Y1334-E1458 VanDerWaalsContact OH-CD 3.29Å; Y1334-E1458 PolarHBondContact OH-OE1 3.12Å |
| 1335 | L | 78.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -64.6 | -24.5 | -172.2 | -56.7 | -177.6 | 0 | 0 | 0 | 112.6 | I1333 Q1337 T1338 I1387 I1449 T1451 L1454 S1457 | I1333-L1335 HydrophobicContact CD1-CD2 4.28Å; I1333-L1335 HydrophobicContact CG1-CD2 4.4Å; L1335-Q1337 PolarHBondContact O-N 2.87Å; L1335-Q1337 VanDerWaalsContact O-N 3.13Å; L1335-T1338 WeakPolarHBondContact O-CB 3.32Å; L1335-T1338 PolarHBondContact O-N 3.28Å; L1335-T1338 VanDerWaalsContact O-N 3.08Å; L1335-T1338 PolarHBondContact O-OG1 3.09Å; L1335-I1387 HydrophobicContact CD1-CD1 4.12Å; L1335-I1449 HydrophobicContact CD1-CG2 4.29Å; L1335-I1449 HydrophobicContact CD2-CG2 4.08Å; L1335-T1451 HydrophobicContact CB-CG2 4.34Å; L1335-T1451 HydrophobicContact CD2-CG2 4.17Å; L1335-L1454 HydrophobicContact CD1-CB 4.22Å; L1335-L1454 HydrophobicContact CD1-CD1 4.1Å; L1335-S1457 PolarHBondContact N-O 3.43Å |
| 1336 | S | 69.9 | Low | 77.9 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -59.4 | -20.1 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 115 | Y1334 T1338 | Y1334-S1336 PolarHBondContact O-N 3.27Å; Y1334-S1336 VanDerWaalsContact O-N 3.17Å; S1336-T1338 VanDerWaalsContact C-N 3.34Å |
| 1337 | Q | 63.9 | Low | 77.5 | Confident | 152 Ų | 152 | 72.1 Ų | 72.1 | 71% | 0.71 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -85.4 | -7.3 | 178.9 | -57.1 | -171.5 | 14.7 | 0 | 0 | 113.1 | Y1334 L1335 | Y1334-Q1337 PolarHBondContact O-N 3.39Å; L1335-Q1337 PolarHBondContact O-N 2.87Å; L1335-Q1337 VanDerWaalsContact O-N 3.13Å |
| 1338 | T | 61.3 | Low | 77.1 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | trans | -98.3 | 138.8 | -167.1 | 71 | 0 | 0 | 0 | 0 | 112.5 | L1335 S1336 L1343 F1348 | L1335-T1338 WeakPolarHBondContact O-CB 3.32Å; L1335-T1338 PolarHBondContact O-N 3.28Å; L1335-T1338 VanDerWaalsContact O-N 3.08Å; L1335-T1338 PolarHBondContact O-OG1 3.09Å; S1336-T1338 VanDerWaalsContact C-N 3.34Å; T1338-L1343 HydrophobicContact CG2-CD1 4Å; T1338-L1343 HydrophobicContact CG2-CD2 3.77Å; T1338-F1348 HydrophobicContact CG2-CD2 3.99Å; T1338-F1348 HydrophobicContact CG2-CE2 3.6Å; T1338-F1348 HydrophobicContact CG2-CZ 4.47Å | ||
| 1339 | K | 65 | Low | 76.9 | Confident | 211 Ų | 211 | 70.3 Ų | 70.3 | 92% | 0.917 | 33% | 0.334 | S | S | * | . | trans | -106.5 | -18.3 | 171.4 | -74.6 | -174.5 | 178.2 | 177.9 | 0 | 113.7 | ||||
| 1340 | Q | 65 | Low | 76.4 | Confident | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | trans | -68.5 | 134 | 171.3 | -71.7 | 154.2 | -68.4 | 0 | 0 | 108.8 | R1342 L1343 E1347 T1451 | Q1340-R1342 VanDerWaalsContact C-N 3.28Å; Q1340-L1343 HydrophobicContact CB-CD1 3.95Å; Q1340-L1343 HydrophobicContact CB-CG 3.97Å; Q1340-L1343 WeakPolarHBondContact O-CD1 3.4Å; Q1340-E1347 PolarHBondContact NE2-OE1 3.01Å; Q1340-T1451 PolarHBondContact O-OG1 3.18Å | ||
| 1341 | K | 75.5 | Confident | 75.6 | Confident | 146 Ų | 146 | 75.6 Ų | 75.6 | 64% | 0.635 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74 | -17.2 | 175.5 | -84.3 | -165.8 | 168.7 | -151.6 | 0 | 114.4 | T1450 T1451 N1452 | K1341-T1450 CarbonylContact O-C 3.54Å; K1341-T1450 WeakPolarHBondContact O-CA 3.37Å; K1341-T1451 WeakPolarHBondContact CA-OG1 3.4Å; K1341-T1451 PolarHBondContact O-N 3.36Å; K1341-T1451 PolarHBondContact O-OG1 2.71Å; K1341-N1452 WeakPolarHBondContact CE-OD1 3.41Å; K1341-N1452 PolarHBondContact NZ-OD1 2.92Å; K1341-N1452 VanDerWaalsContact NZ-OD1 3.16Å |
| 1342 | R | 81.4 | Confident | 74.7 | Confident | 142 Ų | 142 | 73.9 Ų | 73.9 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 128.1 | 177.8 | -75.4 | 178.3 | 170.8 | 170.3 | -6 | 106.8 | Q1340 I1449 T1450 | Q1340-R1342 VanDerWaalsContact C-N 3.28Å; R1342-I1449 VanDerWaalsContact CA-O 3.27Å; R1342-I1449 WeakPolarHBondContact CA-O 3.48Å; R1342-T1450 HydrophobicContact CG-CG2 4.29Å |
| 1343 | L | 84.3 | Confident | 73.4 | Confident | 7 Ų | 7 | 79.7 Ų | 79.7 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153 | 171.8 | -66.5 | 96 | 0 | 0 | 0 | 109.3 | T1338 Q1340 F1348 R1448 I1449 T1451 | T1338-L1343 HydrophobicContact CG2-CD1 4Å; T1338-L1343 HydrophobicContact CG2-CD2 3.77Å; Q1340-L1343 HydrophobicContact CB-CD1 3.95Å; Q1340-L1343 HydrophobicContact CB-CG 3.97Å; Q1340-L1343 WeakPolarHBondContact O-CD1 3.4Å; L1343-F1348 HydrophobicContact CD2-CB 4.2Å; L1343-F1348 HydrophobicContact CD2-CD2 3.67Å; L1343-F1348 HydrophobicContact CD2-CG 4.34Å; L1343-R1448 CarbonylContact O-C 3.5Å; L1343-R1448 WeakPolarHBondContact O-CA 3.27Å; L1343-I1449 PolarHBondContact N-O 2.79Å; L1343-I1449 PolarHBondContact O-N 2.78Å; L1343-T1451 HydrophobicContact CD1-CG2 3.95Å |
| 1344 | W | 87.5 | Confident | 72.1 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.3 | 159.3 | -64.1 | 106 | 0 | 0 | 0 | 110.6 | S1346 E1347 F1348 L1397 L1403 D1446 R1448 | W1344-S1346 VanDerWaalsContact C-N 3.3Å; W1344-S1346 PolarHBondContact O-N 2.86Å; W1344-E1347 HydrophobicContact CB-CB 3.82Å; W1344-E1347 PolarHBondContact N-OE2 2.87Å; W1344-E1347 PolarHBondContact O-N 3.14Å; W1344-F1348 PolarHBondContact O-N 3.28Å; W1344-L1397 HydrophobicContact CH2-CB 4.18Å; W1344-L1397 HydrophobicContact CH2-CD1 4.03Å; W1344-L1397 HydrophobicContact CH2-CD2 4.25Å; W1344-L1397 HydrophobicContact CH2-CG 4.4Å; W1344-L1397 HydrophobicContact CZ3-CB 3.86Å; W1344-L1397 HydrophobicContact CZ3-CD2 4.26Å; W1344-L1397 HydrophobicContact CZ3-CG 4.46Å; W1344-L1403 HydrophobicContact CH2-CD1 3.65Å; W1344-L1403 HydrophobicContact CZ3-CD1 4.26Å; W1344-D1446 HydrophobicContact CE3-CB 3.72Å; W1344-D1446 HydrophobicContact CZ3-CB 4Å; W1344-R1448 HydrophobicContact CD2-CB 4.34Å; W1344-R1448 HydrophobicContact CD2-CG 4.29Å; W1344-R1448 HydrophobicContact CE3-CB 3.75Å; W1344-R1448 HydrophobicContact CE3-CG 4.2Å; W1344-R1448 HydrophobicContact CH2-CB 3.94Å; W1344-R1448 HydrophobicContact CH2-CG 4.24Å; W1344-R1448 HydrophobicContact CZ2-CB 4.48Å; W1344-R1448 HydrophobicContact CZ2-CG 4.3Å; W1344-R1448 HydrophobicContact CZ3-CB 3.53Å; W1344-R1448 HydrophobicContact CZ3-CG 4.18Å |
| 1345 | Y | 87.3 | Confident | 71.5 | Confident | 3 Ų | 3 | 84 Ų | 84 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | -179.3 | -168.3 | -79.5 | 0 | 0 | 0 | 110.4 | M1330 S1331 I1333 L1349 D1446 I1447 I1449 L1459 S1460 L1461 | M1330-Y1345 HydrophobicContact CB-CE1 3.67Å; M1330-Y1345 HydrophobicContact CG-CE1 4.39Å; M1330-Y1345 HydrophobicContact SD-CD1 4.12Å; M1330-Y1345 HydrophobicContact SD-CE1 3.89Å; S1331-Y1345 PolarHBondContact O-OH 2.7Å; I1333-Y1345 HydrophobicContact CD1-CD2 3.59Å; I1333-Y1345 HydrophobicContact CD1-CE2 3.58Å; I1333-Y1345 HydrophobicContact CD1-CG 4.42Å; I1333-Y1345 HydrophobicContact CG1-CE2 4.06Å; Y1345-L1349 HydrophobicContact CD1-CD1 3.91Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.3Å; Y1345-L1349 HydrophobicContact CE1-CG 4.24Å; Y1345-L1349 PolarHBondContact O-N 3.5Å; Y1345-D1446 PolarHBondContact N-OD1 3.03Å; Y1345-I1447 WeakPolarHBondContact CB-O 3.45Å; Y1345-I1447 PolarHBondContact N-O 2.79Å; Y1345-I1449 HydrophobicContact CD2-CD1 4.03Å; Y1345-L1459 HydrophobicContact CD2-CD2 4.29Å; Y1345-L1459 HydrophobicContact CE2-CD2 4.18Å; Y1345-S1460 WeakPolarHBondContact OH-CA 3.36Å; Y1345-L1461 HydrophobicContact CD1-CB 4.44Å; Y1345-L1461 HydrophobicContact CD1-CD2 4.17Å; Y1345-L1461 HydrophobicContact CD2-CB 4.34Å; Y1345-L1461 HydrophobicContact CE1-CB 3.8Å; Y1345-L1461 HydrophobicContact CE1-CD2 4.26Å; Y1345-L1461 HydrophobicContact CE2-CB 3.69Å; Y1345-L1461 HydrophobicContact CG-CD2 4.37Å; Y1345-L1461 VanDerWaalsContact CZ-CB 3.41Å; Y1345-L1461 PolarHBondContact OH-N 2.87Å |
| 1346 | S | 81.5 | Confident | 71.7 | Confident | 7 Ų | 7 | 87.1 Ų | 87.1 | 5% | 0.049 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | W1344 F1348 L1349 M1350 T1355 D1446 | W1344-S1346 VanDerWaalsContact C-N 3.3Å; W1344-S1346 PolarHBondContact O-N 2.86Å; S1346-F1348 VanDerWaalsContact C-N 3.3Å; S1346-F1348 PolarHBondContact O-N 3.07Å; S1346-L1349 PolarHBondContact O-N 2.92Å; S1346-M1350 WeakPolarHBondContact O-CB 3.37Å; S1346-M1350 PolarHBondContact O-N 2.7Å; S1346-T1355 WeakPolarHBondContact CB-O 3.46Å; S1346-T1355 PolarHBondContact OG-O 2.93Å; S1346-D1446 VanDerWaalsContact CB-OD2 3.29Å; S1346-D1446 WeakPolarHBondContact CB-OD2 3.43Å; S1346-D1446 PolarHBondContact N-OD1 3.21Å; S1346-D1446 PolarHBondContact OG-OD2 2.89Å |
| 1347 | E | 79.8 | Confident | 72.6 | Confident | 36 Ų | 36 | 85 Ų | 85 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.5 | -45 | -177.5 | -179.6 | -161.3 | 153.4 | 0 | 0 | 110.8 | Q1340 W1344 K1351 S1352 | Q1340-E1347 PolarHBondContact NE2-OE1 3.01Å; W1344-E1347 HydrophobicContact CB-CB 3.82Å; W1344-E1347 PolarHBondContact N-OE2 2.87Å; W1344-E1347 PolarHBondContact O-N 3.14Å; E1347-K1351 WeakPolarHBondContact O-CA 3.3Å; E1347-K1351 PolarHBondContact O-N 3.07Å; E1347-S1352 WeakPolarHBondContact CA-O 3.42Å |
| 1348 | F | 76.4 | Confident | 73.8 | Confident | 63 Ų | 63 | 84 Ų | 84 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | -179.8 | -175.4 | -91.2 | 0 | 0 | 0 | 112.9 | I1333 T1338 L1343 W1344 S1346 | I1333-F1348 HydrophobicContact CB-CD1 3.8Å; I1333-F1348 HydrophobicContact CB-CE1 3.75Å; I1333-F1348 HydrophobicContact CG2-CD1 3.4Å; I1333-F1348 VanDerWaalsContact CG2-CD1 3.4Å; I1333-F1348 HydrophobicContact CG2-CE1 3.7Å; T1338-F1348 HydrophobicContact CG2-CD2 3.99Å; T1338-F1348 HydrophobicContact CG2-CE2 3.6Å; T1338-F1348 HydrophobicContact CG2-CZ 4.47Å; L1343-F1348 HydrophobicContact CD2-CB 4.2Å; L1343-F1348 HydrophobicContact CD2-CD2 3.67Å; L1343-F1348 HydrophobicContact CD2-CG 4.34Å; W1344-F1348 PolarHBondContact O-N 3.28Å; S1346-F1348 VanDerWaalsContact C-N 3.3Å; S1346-F1348 PolarHBondContact O-N 3.07Å |
| 1349 | L | 73.5 | Confident | 75.3 | Confident | 46 Ų | 46 | 83.1 Ų | 83.1 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.6 | -49 | -178 | -76.6 | -175.3 | 0 | 0 | 0 | 113.1 | M1330 S1331 I1333 Y1345 S1346 | M1330-L1349 HydrophobicContact CB-CD1 4.12Å; S1331-L1349 WeakPolarHBondContact OG-CD2 3.3Å; I1333-L1349 HydrophobicContact CG2-CD1 4.45Å; I1333-L1349 HydrophobicContact CG2-CD2 3.44Å; I1333-L1349 VanDerWaalsContact CG2-CD2 3.44Å; I1333-L1349 HydrophobicContact CG2-CG 3.78Å; Y1345-L1349 HydrophobicContact CD1-CD1 3.91Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.3Å; Y1345-L1349 HydrophobicContact CE1-CG 4.24Å; Y1345-L1349 PolarHBondContact O-N 3.5Å; S1346-L1349 PolarHBondContact O-N 2.92Å |
| 1350 | M | 65.5 | Low | 76.6 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -92.4 | -5.9 | -173 | -67.5 | -173.9 | -95.4 | 0 | 0 | 113.2 | S1346 S1352 T1355 | S1346-M1350 WeakPolarHBondContact O-CB 3.37Å; S1346-M1350 PolarHBondContact O-N 2.7Å; M1350-S1352 PolarHBondContact O-N 2.92Å; M1350-T1355 HydrophobicContact CB-CG2 4.06Å; M1350-T1355 WeakPolarHBondContact CB-OG1 3.48Å; M1350-T1355 HydrophobicContact CE-CG2 4.29Å; M1350-T1355 HydrophobicContact SD-CG2 3.67Å |
| 1351 | K | 62.8 | Low | 78 | Confident | 191 Ų | 191 | 73.5 Ų | 73.5 | 83% | 0.83 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 56.3 | 32.8 | 177.7 | -59.4 | 178.3 | -179.6 | 172.9 | 0 | 113.5 | E1347 | E1347-K1351 WeakPolarHBondContact O-CA 3.3Å; E1347-K1351 PolarHBondContact O-N 3.07Å |
| 1352 | S | 59.5 | Low | 78.8 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | trans | -139 | 134.8 | 177.3 | 109.8 | 0 | 0 | 0 | 0 | 109.5 | E1347 M1350 N1354 T1355 | E1347-S1352 WeakPolarHBondContact CA-O 3.42Å; M1350-S1352 PolarHBondContact O-N 2.92Å; S1352-N1354 PolarHBondContact O-N 2.76Å; S1352-T1355 PolarHBondContact O-OG1 2.78Å; S1352-T1355 WeakPolarHBondContact OG-CG2 3.39Å; S1352-T1355 PolarHBondContact OG-N 3.29Å; S1352-T1355 PolarHBondContact OG-OG1 3.43Å | ||
| 1353 | E | 55 | Low | 79.3 | Confident | 169 Ų | 169 | 69.9 Ų | 69.9 | 79% | 0.79 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.4 | -174.3 | -60.8 | 177.8 | 159.5 | 0 | 0 | 113.8 | ||
| 1354 | N | 56.4 | Low | 79.6 | Confident | 153 Ų | 153 | 73.7 Ų | 73.7 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -2.3 | -172.6 | -77.7 | -24.8 | 0 | 0 | 0 | 114.8 | S1352 | S1352-N1354 PolarHBondContact O-N 2.76Š|
| 1355 | T | 71.4 | Confident | 79.9 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | trans | -67.9 | 138 | 170.7 | 28.3 | 0 | 0 | 0 | 0 | 109.8 | S1346 M1350 S1352 | S1346-T1355 WeakPolarHBondContact CB-O 3.46Å; S1346-T1355 PolarHBondContact OG-O 2.93Å; M1350-T1355 HydrophobicContact CB-CG2 4.06Å; M1350-T1355 WeakPolarHBondContact CB-OG1 3.48Å; M1350-T1355 HydrophobicContact CE-CG2 4.29Å; M1350-T1355 HydrophobicContact SD-CG2 3.67Å; S1352-T1355 PolarHBondContact O-OG1 2.78Å; S1352-T1355 WeakPolarHBondContact OG-CG2 3.39Å; S1352-T1355 PolarHBondContact OG-N 3.29Å; S1352-T1355 PolarHBondContact OG-OG1 3.43Å | ||
| 1356 | Q | 83.2 | Confident | 80.3 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | trans | -131.4 | 172.2 | 177.5 | -73.4 | -172.5 | -20.1 | 0 | 0 | 109.9 | E1358 R1445 | Q1356-E1358 PolarHBondContact O-N 3.18Å; Q1356-R1445 HydrophobicContact CB-CB 4.39Å; Q1356-R1445 HydrophobicContact CG-CB 4.43Å | ||
| 1357 | I | 88.6 | Confident | 80.9 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | trans | -64.2 | 120.8 | 170.7 | -55.6 | 168.4 | 0 | 0 | 0 | 108.9 | M1330 Y1359 I1444 R1445 L1461 V1463 | M1330-I1357 HydrophobicContact CE-CB 4.5Å; M1330-I1357 HydrophobicContact CE-CG1 4.04Å; M1330-I1357 HydrophobicContact CE-CG2 4.17Å; I1357-Y1359 HydrophobicContact CB-CE2 4.1Å; I1357-Y1359 HydrophobicContact CG2-CD2 4.41Å; I1357-Y1359 HydrophobicContact CG2-CE1 4.43Å; I1357-Y1359 HydrophobicContact CG2-CE2 3.58Å; I1357-Y1359 WeakPolarHBondContact CG2-OH 3.48Å; I1357-Y1359 WeakPolarHBondContact O-CE2 3.35Å; I1357-I1444 HydrophobicContact CD1-CG2 4.44Å; I1357-R1445 WeakPolarHBondContact CG1-O 3.34Å; I1357-R1445 PolarHBondContact N-O 3.47Å; I1357-R1445 PolarHBondContact O-NH1 2.66Å; I1357-R1445 VanDerWaalsContact O-NH1 3.15Å; I1357-L1461 HydrophobicContact CD1-CD2 4.27Å; I1357-V1463 HydrophobicContact CD1-CG2 4.1Å; I1357-V1463 HydrophobicContact CG2-CG1 4.02Å; I1357-V1463 HydrophobicContact CG2-CG2 4.17Å | ||
| 1358 | E | 88.9 | Confident | 81.6 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | trans | -100.7 | 150.5 | 179 | -162.6 | 169.6 | -143.5 | 0 | 0 | 111.2 | P1325 V1326 Q1356 | P1325-E1358 WeakPolarHBondContact CA-O 3.23Å; V1326-E1358 HydrophobicContact CB-CB 4.29Å; V1326-E1358 HydrophobicContact CG2-CB 3.89Å; V1326-E1358 HydrophobicContact CG2-CG 3.77Å; V1326-E1358 PolarHBondContact N-O 3.46Å; Q1356-E1358 PolarHBondContact O-N 3.18Å | ||
| 1359 | Y | 92.7 | Very high | 82.5 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 153.7 | -175.1 | -64.3 | -94.6 | 0 | 0 | 0 | 110.1 | P1325 I1357 I1361 Q1378 P1443 I1444 V1463 I1466 | P1325-Y1359 HydrophobicContact CB-CD1 4.01Å; P1325-Y1359 HydrophobicContact CB-CE1 3.96Å; I1357-Y1359 HydrophobicContact CB-CE2 4.1Å; I1357-Y1359 HydrophobicContact CG2-CD2 4.41Å; I1357-Y1359 HydrophobicContact CG2-CE1 4.43Å; I1357-Y1359 HydrophobicContact CG2-CE2 3.58Å; I1357-Y1359 WeakPolarHBondContact CG2-OH 3.48Å; I1357-Y1359 WeakPolarHBondContact O-CE2 3.35Å; Y1359-I1361 PolarHBondContact O-N 2.81Å; Y1359-Q1378 PolarHBondContact OH-NE2 3.28Å; Y1359-P1443 HydrophobicContact CD1-CB 4.44Å; Y1359-P1443 HydrophobicContact CD2-CB 4.04Å; Y1359-P1443 HydrophobicContact CD2-CG 3.63Å; Y1359-P1443 HydrophobicContact CE1-CB 3.97Å; Y1359-P1443 HydrophobicContact CE2-CB 3.52Å; Y1359-P1443 HydrophobicContact CE2-CG 3.48Å; Y1359-P1443 VanDerWaalsContact CE2-CG 3.48Å; Y1359-P1443 HydrophobicContact CG-CB 4.49Å; Y1359-P1443 HydrophobicContact CG-CG 4.27Å; Y1359-P1443 VanDerWaalsContact CZ-CB 3.49Å; Y1359-I1444 WeakPolarHBondContact CE2-O 3.49Å; Y1359-I1444 PolarHBondContact OH-O 2.81Å; Y1359-V1463 HydrophobicContact CE1-CG1 4.14Å; Y1359-I1466 HydrophobicContact CD1-CG2 3.84Å; Y1359-I1466 HydrophobicContact CE1-CG2 4.03Å |
| 1360 | N | 92.8 | Very high | 83.5 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -75.8 | 52.2 | -177.3 | -61.1 | -45.4 | 0 | 0 | 0 | 112.2 | S1324 P1325 V1326 | S1324-N1360 PolarHBondContact O-N 2.82Å; S1324-N1360 PolarHBondContact O-ND2 3.23Å; P1325-N1360 PolarHBondContact O-ND2 3.2Å; P1325-N1360 VanDerWaalsContact O-ND2 3.08Å; V1326-N1360 WeakPolarHBondContact CG2-OD1 3.39Å |
| 1361 | I | 94.1 | Very high | 84.7 | Confident | 20 Ų | 20 | 73.2 Ų | 73.2 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -151.1 | 127.3 | -178.9 | -174.3 | 164.6 | 0 | 0 | 0 | 110.5 | I1310 V1323 Y1359 Q1365 L1366 L1369 | I1310-I1361 HydrophobicContact CD1-CB 4.48Å; I1310-I1361 HydrophobicContact CD1-CD1 3.45Å; I1310-I1361 VanDerWaalsContact CD1-CD1 3.45Å; I1310-I1361 HydrophobicContact CD1-CG1 3.74Å; V1323-I1361 HydrophobicContact CG1-CB 3.88Å; V1323-I1361 HydrophobicContact CG1-CG2 3.81Å; V1323-I1361 HydrophobicContact CG2-CD1 4.1Å; Y1359-I1361 PolarHBondContact O-N 2.81Å; I1361-Q1365 HydrophobicContact CD1-CB 4.33Å; I1361-Q1365 HydrophobicContact CG1-CB 3.91Å; I1361-L1366 HydrophobicContact CD1-CB 4.02Å; I1361-L1366 HydrophobicContact CD1-CD1 4.36Å; I1361-L1366 HydrophobicContact CG1-CB 4.06Å; I1361-L1366 HydrophobicContact CG2-CB 4.2Å; I1361-L1366 HydrophobicContact CG2-CD1 4.31Å; I1361-L1369 HydrophobicContact CD1-CB 4.5Å; I1361-L1369 HydrophobicContact CD1-CD2 3.83Å |
| 1362 | P | 93 | Very high | 86 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | trans | -57.3 | 148.4 | 170 | -26 | 36.5 | 0 | 0 | 0 | 112.2 | I1310 D1364 Q1365 L1366 | I1310-P1362 HydrophobicContact CG2-CG 4.39Å; P1362-D1364 VanDerWaalsContact C-N 3.27Å; P1362-D1364 WeakPolarHBondContact CB-OD1 3.33Å; P1362-D1364 PolarHBondContact O-N 2.88Å; P1362-Q1365 HydrophobicContact CB-CB 4.32Å; P1362-Q1365 HydrophobicContact CB-CG 4.28Å; P1362-Q1365 HydrophobicContact CG-CG 4.31Å; P1362-Q1365 PolarHBondContact O-N 3.26Å; P1362-L1366 WeakPolarHBondContact O-CB 3.39Å; P1362-L1366 PolarHBondContact O-N 2.85Å | ||
| 1363 | K | 90.8 | Very high | 87.6 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.4 | -29.2 | -171.2 | -168.7 | 167.7 | -173.5 | 167.9 | 0 | 113.2 | V1367 | K1363-V1367 WeakPolarHBondContact O-CG2 3.38Å; K1363-V1367 PolarHBondContact O-N 3.15Å |
| 1364 | D | 90.7 | Very high | 89.3 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -54.6 | 170.4 | 52.2 | -55.1 | 0 | 0 | 0 | 111.7 | P1362 L1366 V1367 F1368 | P1362-D1364 VanDerWaalsContact C-N 3.27Å; P1362-D1364 WeakPolarHBondContact CB-OD1 3.33Å; P1362-D1364 PolarHBondContact O-N 2.88Å; D1364-L1366 PolarHBondContact O-N 3.12Å; D1364-V1367 PolarHBondContact O-N 2.92Å; D1364-F1368 WeakPolarHBondContact O-CD2 3.48Å; D1364-F1368 PolarHBondContact O-N 3.47Å; D1364-F1368 VanDerWaalsContact O-N 3.16Å |
| 1365 | Q | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.4 | -37.5 | 174.8 | -71.1 | -71.6 | 28 | 0 | 0 | 112.4 | D1300 P1301 N1302 D1308 I1310 I1361 P1362 F1368 L1369 | D1300-Q1365 PolarHBondContact OD1-NE2 2.76Å; P1301-Q1365 VanDerWaalsContact CD-OE1 3.25Å; N1302-Q1365 VanDerWaalsContact OD1-CD 3.25Å; N1302-Q1365 PolarHBondContact OD1-NE2 3.12Å; N1302-Q1365 PolarHBondContact OD1-OE1 2.63Å; D1308-Q1365 PolarHBondContact O-NE2 2.85Å; I1310-Q1365 HydrophobicContact CG2-CB 4.48Å; I1310-Q1365 HydrophobicContact CG2-CG 4.29Å; I1361-Q1365 HydrophobicContact CD1-CB 4.33Å; I1361-Q1365 HydrophobicContact CG1-CB 3.91Å; P1362-Q1365 HydrophobicContact CB-CB 4.32Å; P1362-Q1365 HydrophobicContact CB-CG 4.28Å; P1362-Q1365 HydrophobicContact CG-CG 4.31Å; P1362-Q1365 PolarHBondContact O-N 3.26Å; Q1365-F1368 PolarHBondContact O-N 2.04Å; Q1365-L1369 WeakPolarHBondContact O-CB 3.43Å; Q1365-L1369 PolarHBondContact O-N 2.96Å |
| 1366 | L | 94.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.3 | 175.4 | 61.8 | 0 | 0 | 0 | 112.4 | I1361 P1362 D1364 L1369 Q1370 Y1468 | I1361-L1366 HydrophobicContact CD1-CB 4.02Å; I1361-L1366 HydrophobicContact CD1-CD1 4.36Å; I1361-L1366 HydrophobicContact CG1-CB 4.06Å; I1361-L1366 HydrophobicContact CG2-CB 4.2Å; I1361-L1366 HydrophobicContact CG2-CD1 4.31Å; P1362-L1366 WeakPolarHBondContact O-CB 3.39Å; P1362-L1366 PolarHBondContact O-N 2.85Å; D1364-L1366 PolarHBondContact O-N 3.12Å; L1366-L1369 PolarHBondContact O-N 3Å; L1366-Q1370 HydrophobicContact CD1-CG 4.21Å; L1366-Q1370 HydrophobicContact CG-CG 4.48Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.47Å; L1366-Q1370 VanDerWaalsContact O-CG 3.27Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.06Å; L1366-Q1370 PolarHBondContact O-N 3.34Å; L1366-Y1468 HydrophobicContact CD1-CE2 4.03Å; L1366-Y1468 WeakPolarHBondContact CD1-OH 3.48Å |
| 1367 | V | 94.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 179.1 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | K1363 D1364 Q1370 M1371 | K1363-V1367 WeakPolarHBondContact O-CG2 3.38Å; K1363-V1367 PolarHBondContact O-N 3.15Å; D1364-V1367 PolarHBondContact O-N 2.92Å; V1367-Q1370 PolarHBondContact O-N 3.1Å; V1367-M1371 HydrophobicContact CG1-CE 3.75Å; V1367-M1371 HydrophobicContact CG1-SD 4.37Å; V1367-M1371 WeakPolarHBondContact O-CB 3.14Å; V1367-M1371 VanDerWaalsContact O-CG 3.29Å; V1367-M1371 WeakPolarHBondContact O-CG 3.38Å; V1367-M1371 PolarHBondContact O-N 3.44Å |
| 1368 | F | 94.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 38% | 0.382 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 174.6 | -78.1 | -80.7 | 0 | 0 | 0 | 112.4 | P1301 N1302 D1364 Q1365 M1371 S1372 | P1301-F1368 HydrophobicContact CB-CB 3.83Å; N1302-F1368 VanDerWaalsContact CA-CG 3.5Å; N1302-F1368 HydrophobicContact CB-CB 4.37Å; N1302-F1368 HydrophobicContact CB-CD1 4.44Å; N1302-F1368 HydrophobicContact CB-CD2 3.41Å; N1302-F1368 VanDerWaalsContact CB-CD2 3.41Å; N1302-F1368 HydrophobicContact CB-CE2 3.68Å; N1302-F1368 HydrophobicContact CB-CG 3.84Å; N1302-F1368 HydrophobicContact CB-CZ 4.3Å; D1364-F1368 WeakPolarHBondContact O-CD2 3.48Å; D1364-F1368 PolarHBondContact O-N 3.47Å; D1364-F1368 VanDerWaalsContact O-N 3.16Å; Q1365-F1368 PolarHBondContact O-N 2.04Å; F1368-M1371 PolarHBondContact O-N 3.31Å; F1368-S1372 WeakPolarHBondContact O-CB 3.16Å; F1368-S1372 PolarHBondContact O-N 3.16Å; F1368-S1372 PolarHBondContact O-OG 2.91Å |
| 1369 | L | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.9 | -173.9 | 60.9 | 0 | 0 | 0 | 112.8 | T1281 P1301 T1321 V1323 I1361 Q1365 L1366 S1372 S1373 Y1468 | T1281-L1369 HydrophobicContact CG2-CD1 4.47Å; P1301-L1369 HydrophobicContact CB-CB 4.13Å; P1301-L1369 HydrophobicContact CG-CB 4.06Å; P1301-L1369 HydrophobicContact CG-CD1 4.25Å; T1321-L1369 HydrophobicContact CG2-CD1 3.87Å; T1321-L1369 HydrophobicContact CG2-CD2 3.78Å; T1321-L1369 HydrophobicContact CG2-CG 4.49Å; V1323-L1369 HydrophobicContact CG2-CD2 4.11Å; I1361-L1369 HydrophobicContact CD1-CB 4.5Å; I1361-L1369 HydrophobicContact CD1-CD2 3.83Å; Q1365-L1369 WeakPolarHBondContact O-CB 3.43Å; Q1365-L1369 PolarHBondContact O-N 2.96Å; L1366-L1369 PolarHBondContact O-N 3Å; L1369-S1372 PolarHBondContact O-OG 3.48Å; L1369-S1373 WeakPolarHBondContact O-CB 3.46Å; L1369-S1373 PolarHBondContact O-OG 3.07Å; L1369-Y1468 HydrophobicContact CD2-CD2 3.48Å; L1369-Y1468 VanDerWaalsContact CD2-CD2 3.48Å; L1369-Y1468 HydrophobicContact CD2-CE2 4.08Å; L1369-Y1468 HydrophobicContact CD2-CG 4.06Å; L1369-Y1468 HydrophobicContact CG-CD2 3.88Å; L1369-Y1468 HydrophobicContact CG-CG 3.94Å |
| 1370 | Q | 94.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 170.6 | -73.6 | 169.1 | -13.9 | 0 | 0 | 111.4 | L1366 V1367 D1399 P1439 L1442 Y1468 | L1366-Q1370 HydrophobicContact CD1-CG 4.21Å; L1366-Q1370 HydrophobicContact CG-CG 4.48Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.47Å; L1366-Q1370 VanDerWaalsContact O-CG 3.27Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.06Å; L1366-Q1370 PolarHBondContact O-N 3.34Å; V1367-Q1370 PolarHBondContact O-N 3.1Å; Q1370-D1399 PolarHBondContact NE2-OD2 2.82Å; Q1370-P1439 HydrophobicContact CB-CB 4.17Å; Q1370-P1439 HydrophobicContact CG-CB 4.38Å; Q1370-P1439 WeakPolarHBondContact O-CB 3.33Å; Q1370-L1442 PolarHBondContact NE2-O 2.94Å; Q1370-Y1468 HydrophobicContact CG-CE1 3.93Å |
| 1371 | M | 91.7 | Very high | 93.1 | Very high | 149 Ų | 149 | 50.6 Ų | 50.6 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -74.4 | -26.4 | 179.3 | -73.3 | -172.3 | -176 | 0 | 0 | 114.1 | V1367 F1368 S1373 | V1367-M1371 HydrophobicContact CG1-CE 3.75Å; V1367-M1371 HydrophobicContact CG1-SD 4.37Å; V1367-M1371 WeakPolarHBondContact O-CB 3.14Å; V1367-M1371 VanDerWaalsContact O-CG 3.29Å; V1367-M1371 WeakPolarHBondContact O-CG 3.38Å; V1367-M1371 PolarHBondContact O-N 3.44Å; F1368-M1371 PolarHBondContact O-N 3.31Å; M1371-S1373 VanDerWaalsContact C-N 3.33Å |
| 1372 | S | 89.2 | Confident | 93.1 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.3 | 178.8 | 68.4 | 0 | 0 | 0 | 0 | 114 | F1368 L1369 | F1368-S1372 WeakPolarHBondContact O-CB 3.16Å; F1368-S1372 PolarHBondContact O-N 3.16Å; F1368-S1372 PolarHBondContact O-OG 2.91Å; L1369-S1372 PolarHBondContact O-OG 3.48Å |
| 1373 | S | 93 | Very high | 93.1 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -122.3 | 150.9 | -173 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | L1369 M1371 P1439 | L1369-S1373 WeakPolarHBondContact O-CB 3.46Å; L1369-S1373 PolarHBondContact O-OG 3.07Å; M1371-S1373 VanDerWaalsContact C-N 3.33Å; S1373-P1439 WeakPolarHBondContact O-CG 3.1Å | ||
| 1374 | E | 90.7 | Very high | 93.1 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 65% | 0.654 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -96 | -33.8 | 174.4 | -60.3 | -169.1 | 162.6 | 0 | 0 | 112.4 | K1437 | E1374-K1437 CarbonylContact O-C 3.55Å; E1374-K1437 WeakPolarHBondContact O-CA 3.33Å |
| 1375 | V | 93.1 | Very high | 93.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | trans | -126.8 | 148 | -176.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | I1377 T1436 G1469 | V1375-I1377 HydrophobicContact CG1-CD1 4.3Å; V1375-I1377 HydrophobicContact CG1-CG1 3.88Å; V1375-T1436 WeakPolarHBondContact CA-O 3.4Å; V1375-G1469 PolarHBondContact O-N 3.29Å | ||
| 1376 | A | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 138.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1435 T1436 P1439 L1442 I1466 C1467 Y1468 | A1376-R1435 WeakPolarHBondContact O-CA 3.4Å; A1376-T1436 HydrophobicContact CB-CG2 4.17Å; A1376-T1436 PolarHBondContact N-O 3.49Å; A1376-T1436 PolarHBondContact O-N 3.2Å; A1376-P1439 HydrophobicContact CB-CB 4.03Å; A1376-P1439 HydrophobicContact CB-CG 4.44Å; A1376-L1442 HydrophobicContact CB-CB 4.1Å; A1376-L1442 HydrophobicContact CB-CD1 3.86Å; A1376-L1442 HydrophobicContact CB-CG 4.46Å; A1376-I1466 HydrophobicContact CB-CD1 4.39Å; A1376-C1467 WeakPolarHBondContact CA-O 3.1Å; A1376-Y1468 HydrophobicContact CB-CD1 3.79Å; A1376-Y1468 HydrophobicContact CB-CE1 3.81Å |
| 1377 | I | 93.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.4 | -172.2 | -50 | -175.2 | 0 | 0 | 0 | 108.8 | V1375 T1433 V1434 R1435 C1467 | V1375-I1377 HydrophobicContact CG1-CD1 4.3Å; V1375-I1377 HydrophobicContact CG1-CG1 3.88Å; I1377-T1433 HydrophobicContact CG2-CG2 4.17Å; I1377-V1434 WeakPolarHBondContact CA-O 3.47Å; I1377-R1435 HydrophobicContact CB-CG 4.4Å; I1377-R1435 HydrophobicContact CG1-CG 4.08Å; I1377-R1435 HydrophobicContact CG2-CG 3.97Å; I1377-C1467 PolarHBondContact N-O 2.89Å; I1377-C1467 PolarHBondContact O-N 3.12Å |
| 1378 | Q | 94.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 141.1 | 173 | -163.7 | 164.4 | 8.7 | 0 | 0 | 112 | Y1359 T1433 V1434 L1442 G1464 I1466 | Y1359-Q1378 PolarHBondContact OH-NE2 3.28Å; Q1378-T1433 WeakPolarHBondContact O-CA 3.38Å; Q1378-V1434 PolarHBondContact N-O 2.79Å; Q1378-V1434 PolarHBondContact O-N 2.67Å; Q1378-L1442 HydrophobicContact CB-CD1 4.31Å; Q1378-G1464 PolarHBondContact NE2-O 2.89Å; Q1378-G1464 VanDerWaalsContact NE2-O 3.1Å; Q1378-I1466 HydrophobicContact CB-CD1 3.77Å; Q1378-I1466 HydrophobicContact CG-CB 4.25Å; Q1378-I1466 HydrophobicContact CG-CD1 4.36Å |
| 1379 | R | 92.3 | Very high | 91.2 | Very high | 117 Ų | 117 | 51.4 Ų | 51.4 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 143.8 | 168.1 | -85.6 | 174.5 | 169.8 | 166.8 | -4.2 | 111.5 | E1418 L1432 T1433 G1464 | R1379-E1418 IonicContact CZ-OE1 3.12Å; R1379-E1418 IonicContact CZ-OE2 2.74Å; R1379-E1418 IonicContact NE-OE1 2.75Å; R1379-E1418 PolarHBondContact NE-OE1 3.31Å; R1379-E1418 IonicContact NE-OE2 3.78Å; R1379-E1418 PolarHBondContact NE-OE2 3.41Å; R1379-E1418 VanDerWaalsContact NH2-CD 3.3Å; R1379-E1418 IonicContact NH2-OE1 2.7Å; R1379-E1418 PolarHBondContact NH2-OE1 3.4Å; R1379-E1418 IonicContact NH2-OE2 2.7Å; R1379-E1418 PolarHBondContact NH2-OE2 2.74Å; R1379-E1418 VanDerWaalsContact NH2-OE2 3.11Å; R1379-L1432 CarbonylContact C-O 3.15Å; R1379-L1432 WeakPolarHBondContact CA-O 3.35Å; R1379-T1433 WeakPolarHBondContact CG-OG1 3.2Å; R1379-T1433 PolarHBondContact NE-OG1 3.23Å; R1379-G1464 WeakPolarHBondContact O-CA 3.32Å; R1379-G1464 PolarHBondContact O-N 3.33Å |
| 1380 | L | 93 | Very high | 90.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 122.2 | -175.4 | -164.4 | 72.5 | 0 | 0 | 0 | 108.9 | L1396 L1432 I1447 L1461 | L1380-L1396 HydrophobicContact CD2-CD1 3.94Å; L1380-L1396 HydrophobicContact CD2-CD2 3.53Å; L1380-L1396 HydrophobicContact CD2-CG 4.39Å; L1380-L1432 HydrophobicContact CB-CB 4.37Å; L1380-L1432 HydrophobicContact CD2-CD1 4.46Å; L1380-L1432 PolarHBondContact N-O 3.2Å; L1380-L1432 PolarHBondContact O-N 2.93Å; L1380-I1447 HydrophobicContact CD2-CD1 3.92Å; L1380-L1461 HydrophobicContact CD1-CD1 3.79Å; L1380-L1461 HydrophobicContact CG-CD1 4.02Å |
| 1381 | K | 93.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 115.2 | 179.9 | 175.6 | 163.1 | 166.7 | -67.7 | 0 | 109.9 | N1383 L1430 L1431 E1462 | K1381-N1383 PolarHBondContact NZ-OD1 3.21Å; K1381-L1430 WeakPolarHBondContact CA-O 2.97Å; K1381-L1431 HydrophobicContact CB-CD1 3.94Å; K1381-E1462 HydrophobicContact CB-CB 3.89Å; K1381-E1462 VanDerWaalsContact CD-OE2 3.28Å; K1381-E1462 WeakPolarHBondContact CD-OE2 3.45Å; K1381-E1462 WeakPolarHBondContact CE-OE2 3.5Å; K1381-E1462 HydrophobicContact CG-CB 4.38Å; K1381-E1462 PolarHBondContact N-O 3.49Å; K1381-E1462 IonicContact NZ-OE1 3.57Å; K1381-E1462 PolarHBondContact NZ-OE1 3.03Å; K1381-E1462 VanDerWaalsContact NZ-OE1 3.15Å; K1381-E1462 IonicContact NZ-OE2 2.92Å; K1381-E1462 PolarHBondContact NZ-OE2 2.7Å; K1381-E1462 PolarHBondContact O-N 3.5Å |
| 1382 | V | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 106.2 | 179.3 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | I1390 I1394 L1430 I1447 L1459 L1461 | V1382-I1390 HydrophobicContact CG1-CD1 4.46Å; V1382-I1394 HydrophobicContact CG2-CD1 4.37Å; V1382-L1430 HydrophobicContact CB-CB 4.34Å; V1382-L1430 PolarHBondContact N-O 3.22Å; V1382-L1430 PolarHBondContact O-N 2.9Å; V1382-I1447 HydrophobicContact CG2-CD1 4.22Å; V1382-L1459 HydrophobicContact CG1-CD1 3.62Å; V1382-L1459 HydrophobicContact CG1-CD2 4Å; V1382-L1459 HydrophobicContact CG1-CG 3.84Å; V1382-L1461 HydrophobicContact CG2-CD1 4.08Å |
| 1383 | N | 93.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.6 | 172.2 | -53.3 | -54 | 0 | 0 | 0 | 108.9 | K1381 G1428 L1459 S1460 E1462 | K1381-N1383 PolarHBondContact NZ-OD1 3.21Å; N1383-G1428 WeakPolarHBondContact CA-O 3.24Å; N1383-L1459 WeakPolarHBondContact O-CA 3.3Å; N1383-L1459 WeakPolarHBondContact O-CD1 3.46Å; N1383-S1460 WeakPolarHBondContact CB-OG 3.38Å; N1383-S1460 PolarHBondContact N-O 3.45Å; N1383-S1460 PolarHBondContact ND2-OG 2.81Å; N1383-S1460 PolarHBondContact O-N 2.79Å; N1383-E1462 PolarHBondContact ND2-OE1 2.82Å |
| 1384 | C | 91.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.4 | -168.1 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | I1387 C1422 S1427 G1428 L1459 | C1384-I1387 HydrophobicContact CB-CB 4.46Å; C1384-I1387 HydrophobicContact CB-CD1 4.43Å; C1384-C1422 HydrophobicContact CB-CB 4.04Å; C1384-C1422 WeakPolarHBondContact CB-SG 3.03Å; C1384-C1422 WeakPolarHBondContact SG-CA 3.32Å; C1384-C1422 WeakPolarHBondContact SG-CB 3.44Å; C1384-C1422 CovalentContact SG-SG 2.02Å; C1384-C1422 PolarHBondContact SG-SG 3.36Å; C1384-S1427 CarbonylContact O-C 3.49Å; C1384-S1427 VanDerWaalsContact O-CA 3.31Å; C1384-S1427 WeakPolarHBondContact O-CA 3.48Å; C1384-G1428 PolarHBondContact N-O 2.85Å; C1384-G1428 PolarHBondContact O-N 3.03Å; C1384-G1428 PolarHBondContact SG-O 3.28Å; C1384-L1459 HydrophobicContact CB-CD1 4.32Å |
| 1385 | R | 91.6 | Very high | 90.1 | Very high | 125 Ų | 125 | 41.6 Ų | 41.6 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 127.6 | 179.3 | -173.4 | -173.7 | -171 | 178.5 | 2.1 | 110.9 | I1387 Q1426 S1457 E1458 | R1385-I1387 VanDerWaalsContact C-N 3.3Å; R1385-I1387 PolarHBondContact O-N 3.48Å; R1385-Q1426 CarbonylContact C-O 3.31Å; R1385-Q1426 WeakPolarHBondContact CA-O 3.25Å; R1385-Q1426 WeakPolarHBondContact CG-O 3.35Å; R1385-S1457 VanDerWaalsContact O-CA 3.29Å; R1385-S1457 WeakPolarHBondContact O-CA 3.34Å; R1385-E1458 HydrophobicContact CB-CB 4.06Å; R1385-E1458 WeakPolarHBondContact CD-OE2 3.42Å; R1385-E1458 IonicContact CZ-OE2 4Å; R1385-E1458 PolarHBondContact N-O 2.87Å; R1385-E1458 IonicContact NE-OE2 3.84Å; R1385-E1458 IonicContact NH1-OE2 3.45Å; R1385-E1458 PolarHBondContact NH1-OE2 3.09Å; R1385-E1458 PolarHBondContact O-N 3.49Å |
| 1386 | N | 88.3 | Confident | 90.1 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 51.2 | 45.2 | -168.6 | -61.6 | -31 | 0 | 0 | 0 | 112.8 | Q1426 D1456 S1457 | N1386-Q1426 PolarHBondContact N-O 2.84Å; N1386-D1456 PolarHBondContact ND2-O 3.41Å; N1386-S1457 PolarHBondContact O-OG 3.34Å |
| 1387 | I | 86.1 | Confident | 90 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | trans | -130.9 | 103.2 | 177 | -56.6 | 173.7 | 0 | 0 | 0 | 110.1 | L1335 C1384 R1385 I1390 I1393 L1454 L1459 | L1335-I1387 HydrophobicContact CD1-CD1 4.12Å; C1384-I1387 HydrophobicContact CB-CB 4.46Å; C1384-I1387 HydrophobicContact CB-CD1 4.43Å; R1385-I1387 VanDerWaalsContact C-N 3.3Å; R1385-I1387 PolarHBondContact O-N 3.48Å; I1387-I1390 HydrophobicContact CD1-CD1 4.4Å; I1387-I1390 HydrophobicContact CG2-CB 4.21Å; I1387-I1390 HydrophobicContact CG2-CD1 3.99Å; I1387-I1393 HydrophobicContact CG2-CD1 3.46Å; I1387-I1393 VanDerWaalsContact CG2-CD1 3.46Å; I1387-L1454 HydrophobicContact CG1-CD2 4.36Å; I1387-L1454 HydrophobicContact CG2-CD2 4.4Å; I1387-L1459 HydrophobicContact CD1-CD1 3.59Å | ||
| 1388 | Q | 78.4 | Confident | 90 | Very high | 146 Ų | 146 | 40.5 Ų | 40.5 | 68% | 0.682 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -84.8 | 148.7 | 164.4 | -66.4 | 179.6 | -9.7 | 0 | 0 | 109.2 | ||
| 1389 | N | 85.5 | Confident | 89.9 | Confident | 100 Ų | 100 | 41.8 Ų | 41.8 | 54% | 0.535 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 55.8 | 46 | -176.5 | -63.7 | 11.5 | 0 | 0 | 0 | 115.8 | L1391 E1392 | N1389-L1391 PolarHBondContact O-N 3.02Å; N1389-E1392 HydrophobicContact CB-CG 4.29Å; N1389-E1392 VanDerWaalsContact CB-OE2 3.24Å; N1389-E1392 WeakPolarHBondContact CB-OE2 3.24Å; N1389-E1392 PolarHBondContact ND2-OE2 3.18Å; N1389-E1392 PolarHBondContact O-N 3.05Å |
| 1390 | I | 87.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -46.2 | -40 | 179.1 | -176.5 | 60.6 | 0 | 0 | 0 | 114.4 | V1382 I1387 E1392 I1393 I1394 C1422 L1430 L1459 | V1382-I1390 HydrophobicContact CG1-CD1 4.46Å; I1387-I1390 HydrophobicContact CD1-CD1 4.4Å; I1387-I1390 HydrophobicContact CG2-CB 4.21Å; I1387-I1390 HydrophobicContact CG2-CD1 3.99Å; I1390-E1392 VanDerWaalsContact C-N 3.29Å; I1390-E1392 PolarHBondContact O-N 3.24Å; I1390-I1393 WeakPolarHBondContact O-CB 3.1Å; I1390-I1393 PolarHBondContact O-N 3.2Å; I1390-I1394 HydrophobicContact CD1-CG2 3.9Å; I1390-I1394 HydrophobicContact CG1-CG1 4.44Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.28Å; I1390-I1394 PolarHBondContact O-N 3.47Å; I1390-I1394 VanDerWaalsContact O-N 3.16Å; I1390-C1422 HydrophobicContact CB-CB 4.12Å; I1390-C1422 HydrophobicContact CG2-CB 3.76Å; I1390-L1430 HydrophobicContact CG1-CD2 4.11Å; I1390-L1430 HydrophobicContact CG2-CB 4.27Å; I1390-L1430 HydrophobicContact CG2-CD1 4.18Å; I1390-L1430 HydrophobicContact CG2-CD2 3.97Å; I1390-L1430 HydrophobicContact CG2-CG 4.37Å; I1390-L1459 HydrophobicContact CD1-CD1 3.68Å |
| 1391 | L | 87.4 | Confident | 89.6 | Confident | 35 Ų | 35 | 45 Ų | 45 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -25.8 | -177.7 | -69.3 | 164.6 | 0 | 0 | 0 | 114.3 | N1389 I1393 F1406 I1417 L1430 L1432 | N1389-L1391 PolarHBondContact O-N 3.02Å; L1391-I1393 VanDerWaalsContact C-N 3.28Å; L1391-F1406 HydrophobicContact CB-CB 4.4Å; L1391-F1406 HydrophobicContact CD2-CB 4.18Å; L1391-F1406 HydrophobicContact CD2-CD1 3.82Å; L1391-F1406 HydrophobicContact CD2-CD2 4.17Å; L1391-F1406 HydrophobicContact CD2-CE1 4.24Å; L1391-F1406 HydrophobicContact CD2-CG 3.78Å; L1391-I1417 HydrophobicContact CD1-CD1 3.75Å; L1391-I1417 HydrophobicContact CD2-CD1 4.45Å; L1391-L1430 HydrophobicContact CD2-CD1 4.09Å; L1391-L1430 HydrophobicContact CD2-CD2 3.86Å; L1391-L1430 HydrophobicContact CG-CD1 4.26Å; L1391-L1430 HydrophobicContact CG-CD2 4.41Å; L1391-L1432 HydrophobicContact CD2-CD2 4.34Å |
| 1392 | E | 86.3 | Confident | 89.4 | Confident | 118 Ų | 118 | 45.2 Ų | 45.2 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -80.3 | -13.7 | 175.1 | -61.8 | -176.8 | 131.2 | 0 | 0 | 112.2 | N1389 I1390 | N1389-E1392 HydrophobicContact CB-CG 4.29Å; N1389-E1392 VanDerWaalsContact CB-OE2 3.24Å; N1389-E1392 WeakPolarHBondContact CB-OE2 3.24Å; N1389-E1392 PolarHBondContact ND2-OE2 3.18Å; N1389-E1392 PolarHBondContact O-N 3.05Å; I1390-E1392 VanDerWaalsContact C-N 3.29Å; I1390-E1392 PolarHBondContact O-N 3.24Å |
| 1393 | I | 86.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -99.9 | -38.9 | -172.1 | -67.1 | 156.2 | 0 | 0 | 0 | 111.1 | I1387 I1390 L1391 I1449 T1450 L1454 | I1387-I1393 HydrophobicContact CG2-CD1 3.46Å; I1387-I1393 VanDerWaalsContact CG2-CD1 3.46Å; I1390-I1393 WeakPolarHBondContact O-CB 3.1Å; I1390-I1393 PolarHBondContact O-N 3.2Å; L1391-I1393 VanDerWaalsContact C-N 3.28Å; I1393-I1449 HydrophobicContact CG2-CG2 3.88Å; I1393-I1449 CarbonylContact O-C 3.38Å; I1393-T1450 PolarHBondContact O-N 3.42Å; I1393-T1450 PolarHBondContact O-OG1 3.4Å; I1393-L1454 HydrophobicContact CD1-CD1 3.71Å; I1393-L1454 HydrophobicContact CD1-CD2 4.32Å; I1393-L1454 HydrophobicContact CG1-CD1 4.1Å; I1393-L1454 HydrophobicContact CG2-CD1 3.94Å |
| 1394 | I | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 153.1 | -178.8 | 58.3 | 157.9 | 0 | 0 | 0 | 113.5 | V1382 I1390 F1406 L1430 L1432 I1447 R1448 I1449 | V1382-I1394 HydrophobicContact CG2-CD1 4.37Å; I1390-I1394 HydrophobicContact CD1-CG2 3.9Å; I1390-I1394 HydrophobicContact CG1-CG1 4.44Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.28Å; I1390-I1394 PolarHBondContact O-N 3.47Å; I1390-I1394 VanDerWaalsContact O-N 3.16Å; I1394-F1406 HydrophobicContact CB-CE2 4.44Å; I1394-F1406 HydrophobicContact CD1-CD2 4.45Å; I1394-F1406 HydrophobicContact CD1-CE2 3.56Å; I1394-F1406 HydrophobicContact CD1-CZ 3.87Å; I1394-F1406 HydrophobicContact CG1-CD2 4.15Å; I1394-F1406 HydrophobicContact CG1-CE2 3.6Å; I1394-F1406 HydrophobicContact CG1-CZ 4.41Å; I1394-L1430 HydrophobicContact CD1-CD2 3.75Å; I1394-L1432 HydrophobicContact CD1-CD1 4.32Å; I1394-I1447 HydrophobicContact CB-CG2 3.97Å; I1394-I1447 HydrophobicContact CG2-CG2 4Å; I1394-R1448 CarbonylContact C-O 3.43Å; I1394-R1448 VanDerWaalsContact CA-O 3.31Å; I1394-R1448 WeakPolarHBondContact CA-O 3.04Å; I1394-I1449 HydrophobicContact CG2-CG1 4.38Å |
| 1395 | S | 91.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.9 | 169.5 | -39.3 | 0 | 0 | 0 | 0 | 108.4 | I1404 I1447 R1448 | S1395-I1404 CarbonylContact C-O 3.56Å; S1395-I1404 WeakPolarHBondContact CA-O 3.5Å; S1395-I1447 CarbonylContact O-C 3.5Å; S1395-I1447 WeakPolarHBondContact O-CA 3.49Å; S1395-R1448 PolarHBondContact N-O 3.14Å; S1395-R1448 PolarHBondContact O-N 3.17Å; S1395-R1448 PolarHBondContact OG-NH2 3.17Å |
| 1396 | L | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 152.6 | -177.7 | -46.2 | -179.9 | 0 | 0 | 0 | 111.2 | L1380 L1403 I1404 F1406 V1434 I1444 I1447 | L1380-L1396 HydrophobicContact CD2-CD1 3.94Å; L1380-L1396 HydrophobicContact CD2-CD2 3.53Å; L1380-L1396 HydrophobicContact CD2-CG 4.39Å; L1396-L1403 WeakPolarHBondContact O-CA 3.48Å; L1396-I1404 HydrophobicContact CB-CB 4.16Å; L1396-I1404 HydrophobicContact CB-CD1 4.34Å; L1396-I1404 PolarHBondContact N-O 3.37Å; L1396-I1404 PolarHBondContact O-N 3.37Å; L1396-F1406 HydrophobicContact CD1-CE1 4.43Å; L1396-F1406 HydrophobicContact CD1-CZ 3.89Å; L1396-F1406 HydrophobicContact CD2-CE2 4.45Å; L1396-F1406 HydrophobicContact CD2-CZ 4.05Å; L1396-F1406 HydrophobicContact CG-CE2 4.22Å; L1396-F1406 HydrophobicContact CG-CZ 3.71Å; L1396-V1434 HydrophobicContact CD1-CG2 3.98Å; L1396-I1444 HydrophobicContact CB-CD1 4.05Å; L1396-I1444 HydrophobicContact CB-CG2 4.24Å; L1396-I1444 HydrophobicContact CD1-CD1 4.1Å; L1396-I1444 HydrophobicContact CD1-CG1 4.38Å; L1396-I1447 HydrophobicContact CD2-CD1 4.04Å; L1396-I1447 HydrophobicContact CD2-CG1 3.85Å; L1396-I1447 HydrophobicContact CD2-CG2 4.29Å |
| 1397 | L | 92.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.4 | 170 | -171.5 | 67.7 | 0 | 0 | 0 | 109.8 | W1344 N1401 I1444 R1445 D1446 | W1344-L1397 HydrophobicContact CH2-CB 4.18Å; W1344-L1397 HydrophobicContact CH2-CD1 4.03Å; W1344-L1397 HydrophobicContact CH2-CD2 4.25Å; W1344-L1397 HydrophobicContact CH2-CG 4.4Å; W1344-L1397 HydrophobicContact CZ3-CB 3.86Å; W1344-L1397 HydrophobicContact CZ3-CD2 4.26Å; W1344-L1397 HydrophobicContact CZ3-CG 4.46Å; L1397-N1401 HydrophobicContact CD1-CB 4.27Å; L1397-I1444 CarbonylContact O-C 2.96Å; L1397-I1444 WeakPolarHBondContact O-CA 2.98Å; L1397-R1445 HydrophobicContact CD2-CB 4.24Å; L1397-R1445 HydrophobicContact CG-CB 4.41Å; L1397-R1445 PolarHBondContact O-N 3.25Å; L1397-D1446 HydrophobicContact CB-CB 3.91Å; L1397-D1446 HydrophobicContact CD2-CB 3.94Å; L1397-D1446 PolarHBondContact N-O 3.5Å |
| 1398 | S | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -79.6 | 169.8 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | N1400 N1401 M1402 L1441 | S1398-N1400 VanDerWaalsContact C-N 3.25Å; S1398-N1400 PolarHBondContact O-N 3.42Å; S1398-N1400 PolarHBondContact OG-OD1 2.79Å; S1398-N1401 PolarHBondContact O-N 2.03Å; S1398-M1402 WeakPolarHBondContact CB-O 3.31Å; S1398-M1402 PolarHBondContact N-O 3.34Å; S1398-M1402 VanDerWaalsContact OG-CA 3.24Å; S1398-M1402 WeakPolarHBondContact OG-CA 3.45Å; S1398-M1402 WeakPolarHBondContact OG-CB 3.27Å; S1398-M1402 PolarHBondContact OG-N 3.38Å; S1398-M1402 PolarHBondContact OG-O 2.79Å; S1398-L1441 WeakPolarHBondContact CB-O 2.98Å | ||
| 1399 | D | 93 | Very high | 86 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.6 | 178.3 | -164.1 | 46.7 | 0 | 0 | 0 | 113.2 | Q1370 N1401 L1441 P1443 R1445 | Q1370-D1399 PolarHBondContact NE2-OD2 2.82Å; D1399-N1401 VanDerWaalsContact C-N 3.3Å; D1399-N1401 PolarHBondContact O-N 3.35Å; D1399-L1441 PolarHBondContact N-O 2.71Å; D1399-P1443 PolarHBondContact N-O 2.57Å; D1399-P1443 VanDerWaalsContact N-O 3.13Å; D1399-R1445 IonicContact OD1-CZ 3.44Å; D1399-R1445 IonicContact OD1-NE 2.83Å; D1399-R1445 PolarHBondContact OD1-NE 2.94Å; D1399-R1445 IonicContact OD1-NH2 3.41Å; D1399-R1445 PolarHBondContact OD1-NH2 3.4Å |
| 1400 | N | 89 | Confident | 85.1 | Confident | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 19.8 | 175.7 | 75.5 | -16.1 | 0 | 0 | 0 | 114.1 | S1398 M1402 L1441 | S1398-N1400 VanDerWaalsContact C-N 3.25Å; S1398-N1400 PolarHBondContact O-N 3.42Å; S1398-N1400 PolarHBondContact OG-OD1 2.79Å; N1400-M1402 PolarHBondContact O-N 2.77Å; N1400-M1402 WeakPolarHBondContact OD1-CB 3.32Å; N1400-M1402 PolarHBondContact OD1-N 2.68Å; N1400-L1441 WeakPolarHBondContact ND2-CD2 3.46Å |
| 1401 | N | 89.7 | Confident | 84.5 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 59 | 16.7 | -178.2 | -60.3 | -55.8 | 0 | 0 | 0 | 115.6 | L1397 S1398 D1399 | L1397-N1401 HydrophobicContact CD1-CB 4.27Å; S1398-N1401 PolarHBondContact O-N 2.03Å; D1399-N1401 VanDerWaalsContact C-N 3.3Å; D1399-N1401 PolarHBondContact O-N 3.35Å |
| 1402 | M | 90 | Very high | 84.5 | Confident | 59 Ų | 59 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | trans | -70.3 | 137.4 | 165.8 | -167.1 | -169.5 | -49.1 | 0 | 0 | 109.7 | S1398 N1400 L1412 F1413 L1441 | S1398-M1402 WeakPolarHBondContact CB-O 3.31Å; S1398-M1402 PolarHBondContact N-O 3.34Å; S1398-M1402 VanDerWaalsContact OG-CA 3.24Å; S1398-M1402 WeakPolarHBondContact OG-CA 3.45Å; S1398-M1402 WeakPolarHBondContact OG-CB 3.27Å; S1398-M1402 PolarHBondContact OG-N 3.38Å; S1398-M1402 PolarHBondContact OG-O 2.79Å; N1400-M1402 PolarHBondContact O-N 2.77Å; N1400-M1402 WeakPolarHBondContact OD1-CB 3.32Å; N1400-M1402 PolarHBondContact OD1-N 2.68Å; M1402-L1412 HydrophobicContact CE-CD1 3.82Å; M1402-L1412 HydrophobicContact SD-CD1 4.03Å; M1402-F1413 HydrophobicContact SD-CE2 4.06Å; M1402-L1441 HydrophobicContact CE-CD2 3.87Å | ||
| 1403 | L | 89.7 | Confident | 84.6 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.8 | 176.6 | -166.6 | 86.7 | 0 | 0 | 0 | 110.6 | W1344 L1396 E1405 R1448 | W1344-L1403 HydrophobicContact CH2-CD1 3.65Å; W1344-L1403 HydrophobicContact CZ3-CD1 4.26Å; L1396-L1403 WeakPolarHBondContact O-CA 3.48Å; L1403-E1405 HydrophobicContact CD2-CG 3.64Å; L1403-E1405 WeakPolarHBondContact CD2-OE1 3.44Å; L1403-E1405 HydrophobicContact CG-CG 4.28Å; L1403-R1448 VanDerWaalsContact CD2-CZ 3.47Å |
| 1404 | I | 89.5 | Confident | 84.7 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.2 | 179.1 | -48.6 | 174.8 | 0 | 0 | 0 | 108 | S1395 L1396 F1413 I1415 I1444 | S1395-I1404 CarbonylContact C-O 3.56Å; S1395-I1404 WeakPolarHBondContact CA-O 3.5Å; L1396-I1404 HydrophobicContact CB-CB 4.16Å; L1396-I1404 HydrophobicContact CB-CD1 4.34Å; L1396-I1404 PolarHBondContact N-O 3.37Å; L1396-I1404 PolarHBondContact O-N 3.37Å; I1404-F1413 HydrophobicContact CD1-CD1 4Å; I1404-F1413 HydrophobicContact CD1-CD2 4.19Å; I1404-F1413 HydrophobicContact CD1-CE1 3.59Å; I1404-F1413 HydrophobicContact CD1-CE2 3.81Å; I1404-F1413 HydrophobicContact CD1-CG 4.28Å; I1404-F1413 HydrophobicContact CD1-CZ 3.48Å; I1404-F1413 VanDerWaalsContact CD1-CZ 3.48Å; I1404-F1413 HydrophobicContact CG1-CD2 4.23Å; I1404-F1413 HydrophobicContact CG1-CE1 4.44Å; I1404-F1413 HydrophobicContact CG1-CE2 3.74Å; I1404-F1413 HydrophobicContact CG1-CZ 3.85Å; I1404-F1413 HydrophobicContact CG2-CD2 4.42Å; I1404-I1415 HydrophobicContact CG2-CD1 3.63Å; I1404-I1444 HydrophobicContact CD1-CD1 3.92Å |
| 1405 | E | 86.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 57 Ų | 57 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | trans | -107 | 122 | 176.2 | -58.1 | -161.3 | 174.8 | 0 | 0 | 109.9 | L1403 N1407 E1408 R1448 | L1403-E1405 HydrophobicContact CD2-CG 3.64Å; L1403-E1405 WeakPolarHBondContact CD2-OE1 3.44Å; L1403-E1405 HydrophobicContact CG-CG 4.28Å; E1405-N1407 PolarHBondContact O-N 3.02Å; E1405-E1408 PolarHBondContact O-N 3.39Å; E1405-E1408 VanDerWaalsContact O-N 3.09Å; E1405-R1448 IonicContact OE1-CZ 3.91Å; E1405-R1448 IonicContact OE1-NH1 3.73Å; E1405-R1448 PolarHBondContact OE1-NH1 3.24Å; E1405-R1448 IonicContact OE1-NH2 2.82Å; E1405-R1448 PolarHBondContact OE1-NH2 3.15Å | ||
| 1406 | F | 84.2 | Confident | 84.6 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.1 | -171.3 | -58.8 | -85.6 | 0 | 0 | 0 | 115 | L1391 I1394 L1396 I1415 L1432 | L1391-F1406 HydrophobicContact CB-CB 4.4Å; L1391-F1406 HydrophobicContact CD2-CB 4.18Å; L1391-F1406 HydrophobicContact CD2-CD1 3.82Å; L1391-F1406 HydrophobicContact CD2-CD2 4.17Å; L1391-F1406 HydrophobicContact CD2-CE1 4.24Å; L1391-F1406 HydrophobicContact CD2-CG 3.78Å; I1394-F1406 HydrophobicContact CB-CE2 4.44Å; I1394-F1406 HydrophobicContact CD1-CD2 4.45Å; I1394-F1406 HydrophobicContact CD1-CE2 3.56Å; I1394-F1406 HydrophobicContact CD1-CZ 3.87Å; I1394-F1406 HydrophobicContact CG1-CD2 4.15Å; I1394-F1406 HydrophobicContact CG1-CE2 3.6Å; I1394-F1406 HydrophobicContact CG1-CZ 4.41Å; L1396-F1406 HydrophobicContact CD1-CE1 4.43Å; L1396-F1406 HydrophobicContact CD1-CZ 3.89Å; L1396-F1406 HydrophobicContact CD2-CE2 4.45Å; L1396-F1406 HydrophobicContact CD2-CZ 4.05Å; L1396-F1406 HydrophobicContact CG-CE2 4.22Å; L1396-F1406 HydrophobicContact CG-CZ 3.71Å; F1406-I1415 HydrophobicContact CD1-CD1 4.05Å; F1406-I1415 HydrophobicContact CD1-CG2 4.11Å; F1406-I1415 HydrophobicContact CE1-CD1 4.14Å; F1406-I1415 HydrophobicContact CE1-CG2 3.94Å; F1406-L1432 HydrophobicContact CE1-CD1 3.7Å; F1406-L1432 HydrophobicContact CE1-CD2 4.06Å; F1406-L1432 HydrophobicContact CZ-CD1 3.58Å |
| 1407 | N | 73.7 | Confident | 84.5 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.8 | 178.7 | -67.6 | -10.7 | 0 | 0 | 0 | 113 | E1405 | E1405-N1407 PolarHBondContact O-N 3.02Š|
| 1408 | E | 67.2 | Low | 84.4 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -110.4 | 129.2 | 177.1 | -63.1 | -164.6 | 161.6 | 0 | 0 | 110.4 | E1405 I1410 | E1405-E1408 PolarHBondContact O-N 3.39Å; E1405-E1408 VanDerWaalsContact O-N 3.09Å; E1408-I1410 HydrophobicContact CB-CG1 4.32Å; E1408-I1410 PolarHBondContact O-N 3.16Å |
| 1409 | T | 60 | Low | 84.2 | Confident | 147 Ų | 147 | 70.9 Ų | 70.9 | 90% | 0.902 | 37% | 0.366 | S | S | * | . | trans | -80.8 | 71.4 | -179.4 | -1.1 | 0 | 0 | 0 | 0 | 110.3 | Q1411 | T1409-Q1411 PolarHBondContact O-N 3.17Š| ||
| 1410 | I | 66.8 | Low | 84.2 | Confident | 45 Ų | 45 | 72.6 Ų | 72.6 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | trans | -66.1 | 102.3 | 178.5 | -55.1 | 174.2 | 0 | 0 | 0 | 108.7 | E1408 L1412 F1413 | E1408-I1410 HydrophobicContact CB-CG1 4.32Å; E1408-I1410 PolarHBondContact O-N 3.16Å; I1410-L1412 HydrophobicContact CG2-CB 4.12Å; I1410-L1412 HydrophobicContact CG2-CD1 4.33Å; I1410-L1412 HydrophobicContact CG2-CG 4.28Å; I1410-L1412 PolarHBondContact O-N 3.16Å; I1410-F1413 HydrophobicContact CB-CD2 4.38Å; I1410-F1413 HydrophobicContact CG2-CD2 4.02Å; I1410-F1413 HydrophobicContact CG2-CE2 4.36Å; I1410-F1413 PolarHBondContact O-N 3.31Å | ||
| 1411 | Q | 75.2 | Confident | 84.3 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -3 | -174.5 | -60.4 | -178.7 | -73.3 | 0 | 0 | 115.5 | M172 T1409 | M172-Q1411 HydrophobicContact CE-CB 3.66Å; M172-Q1411 HydrophobicContact SD-CB 3.51Å; M172-Q1411 VanDerWaalsContact SD-CB 3.51Å; M172-Q1411 HydrophobicContact SD-CG 4.33Å; T1409-Q1411 PolarHBondContact O-N 3.17Å |
| 1412 | L | 85.8 | Confident | 84.2 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -18 | 173.2 | -59.4 | 173.9 | 0 | 0 | 0 | 113.4 | M172 M1402 I1410 T1436 L1441 | M172-L1412 HydrophobicContact CE-CD2 3.76Å; M172-L1412 HydrophobicContact CE-CG 4.21Å; M1402-L1412 HydrophobicContact CE-CD1 3.82Å; M1402-L1412 HydrophobicContact SD-CD1 4.03Å; I1410-L1412 HydrophobicContact CG2-CB 4.12Å; I1410-L1412 HydrophobicContact CG2-CD1 4.33Å; I1410-L1412 HydrophobicContact CG2-CG 4.28Å; I1410-L1412 PolarHBondContact O-N 3.16Å; L1412-T1436 WeakPolarHBondContact O-CB 3.49Å; L1412-T1436 PolarHBondContact O-OG1 3.32Å; L1412-L1441 HydrophobicContact CB-CD1 3.92Å; L1412-L1441 HydrophobicContact CD1-CD1 4.32Å |
| 1413 | F | 88.6 | Confident | 83.7 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 9% | 0.088 | 34% | 0.336 | C | S | . | . | trans | -127.8 | 135.8 | -177.9 | -56.7 | -83.6 | 0 | 0 | 0 | 110.8 | M1402 I1404 I1410 I1415 V1434 R1435 L1441 | M1402-F1413 HydrophobicContact SD-CE2 4.06Å; I1404-F1413 HydrophobicContact CD1-CD1 4Å; I1404-F1413 HydrophobicContact CD1-CD2 4.19Å; I1404-F1413 HydrophobicContact CD1-CE1 3.59Å; I1404-F1413 HydrophobicContact CD1-CE2 3.81Å; I1404-F1413 HydrophobicContact CD1-CG 4.28Å; I1404-F1413 HydrophobicContact CD1-CZ 3.48Å; I1404-F1413 VanDerWaalsContact CD1-CZ 3.48Å; I1404-F1413 HydrophobicContact CG1-CD2 4.23Å; I1404-F1413 HydrophobicContact CG1-CE1 4.44Å; I1404-F1413 HydrophobicContact CG1-CE2 3.74Å; I1404-F1413 HydrophobicContact CG1-CZ 3.85Å; I1404-F1413 HydrophobicContact CG2-CD2 4.42Å; I1410-F1413 HydrophobicContact CB-CD2 4.38Å; I1410-F1413 HydrophobicContact CG2-CD2 4.02Å; I1410-F1413 HydrophobicContact CG2-CE2 4.36Å; I1410-F1413 PolarHBondContact O-N 3.31Å; F1413-I1415 HydrophobicContact CB-CG1 4.2Å; F1413-V1434 HydrophobicContact CD1-CG1 3.96Å; F1413-R1435 CarbonylContact C-O 3.5Å; F1413-R1435 WeakPolarHBondContact CA-O 3.46Å; F1413-L1441 HydrophobicContact CE1-CB 3.68Å; F1413-L1441 HydrophobicContact CE1-CD1 3.88Å; F1413-L1441 HydrophobicContact CE1-CG 4.43Å; F1413-L1441 HydrophobicContact CE2-CD1 4.16Å; F1413-L1441 HydrophobicContact CZ-CB 3.78Å; F1413-L1441 HydrophobicContact CZ-CD1 3.61Å; F1413-L1441 HydrophobicContact CZ-CG 4.23Å | ||
| 1414 | S | 89.2 | Confident | 83 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120 | 159.4 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | R1435 | S1414-R1435 PolarHBondContact N-O 3.42Å; S1414-R1435 PolarHBondContact O-N 2.84Å |
| 1415 | I | 89.5 | Confident | 82.4 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.8 | 179.7 | -54.8 | 177.5 | 0 | 0 | 0 | 107.9 | I1404 F1406 F1413 L1432 | I1404-I1415 HydrophobicContact CG2-CD1 3.63Å; F1406-I1415 HydrophobicContact CD1-CD1 4.05Å; F1406-I1415 HydrophobicContact CD1-CG2 4.11Å; F1406-I1415 HydrophobicContact CE1-CD1 4.14Å; F1406-I1415 HydrophobicContact CE1-CG2 3.94Å; F1413-I1415 HydrophobicContact CB-CG1 4.2Å; I1415-L1432 HydrophobicContact CG2-CD2 4.24Å |
| 1416 | E | 90.1 | Very high | 82.2 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.7 | 175.6 | -73.4 | 158.2 | -122.9 | 0 | 0 | 109.1 | T1433 R1435 | E1416-T1433 PolarHBondContact N-O 3.23Å; E1416-T1433 PolarHBondContact O-N 3.25Å; E1416-R1435 IonicContact OE1-CZ 2.71Å; E1416-R1435 IonicContact OE1-NE 3.88Å; E1416-R1435 IonicContact OE1-NH1 3.35Å; E1416-R1435 PolarHBondContact OE1-NH1 2.73Å; E1416-R1435 IonicContact OE2-CZ 3.65Å; E1416-R1435 IonicContact OE2-NH1 2.75Å; E1416-R1435 PolarHBondContact OE2-NH1 2.72Å |
| 1417 | I | 90.6 | Very high | 82.4 | Confident | 87 Ų | 87 | 79 Ų | 79 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 103.4 | 175.1 | -60.2 | 160.5 | 0 | 0 | 0 | 106.9 | L1391 E1419 N1420 L1430 L1432 | L1391-I1417 HydrophobicContact CD1-CD1 3.75Å; L1391-I1417 HydrophobicContact CD2-CD1 4.45Å; I1417-E1419 WeakPolarHBondContact CG2-O 3.32Å; I1417-N1420 HydrophobicContact CG2-CB 3.95Å; I1417-L1430 HydrophobicContact CG2-CD1 4.03Å; I1417-L1432 HydrophobicContact CG1-CD2 3.84Å |
| 1418 | E | 90.3 | Very high | 83.3 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -29.4 | -179.2 | -65.7 | -176.8 | -169.8 | 0 | 0 | 111.9 | R1379 L1431 T1433 | R1379-E1418 IonicContact CZ-OE1 3.12Å; R1379-E1418 IonicContact CZ-OE2 2.74Å; R1379-E1418 IonicContact NE-OE1 2.75Å; R1379-E1418 PolarHBondContact NE-OE1 3.31Å; R1379-E1418 IonicContact NE-OE2 3.78Å; R1379-E1418 PolarHBondContact NE-OE2 3.41Å; R1379-E1418 VanDerWaalsContact NH2-CD 3.3Å; R1379-E1418 IonicContact NH2-OE1 2.7Å; R1379-E1418 PolarHBondContact NH2-OE1 3.4Å; R1379-E1418 IonicContact NH2-OE2 2.7Å; R1379-E1418 PolarHBondContact NH2-OE2 2.74Å; R1379-E1418 VanDerWaalsContact NH2-OE2 3.11Å; E1418-L1431 HydrophobicContact CB-CB 4.3Å; E1418-L1431 HydrophobicContact CB-CD2 3.79Å; E1418-L1431 HydrophobicContact CB-CG 3.93Å; E1418-L1431 PolarHBondContact N-O 3.43Å; E1418-L1431 WeakPolarHBondContact OE2-CD2 3.46Å; E1418-T1433 VanDerWaalsContact CD-OG1 3.29Å; E1418-T1433 WeakPolarHBondContact OE1-CB 3.14Å; E1418-T1433 PolarHBondContact OE1-OG1 3.38Å |
| 1419 | E | 90.9 | Very high | 84.5 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 144.4 | 172.1 | -160.9 | -156.4 | 121 | 0 | 0 | 110.5 | I1417 S1421 S1429 L1430 L1431 | I1417-E1419 WeakPolarHBondContact CG2-O 3.32Å; E1419-S1421 WeakPolarHBondContact OE1-CB 3Å; E1419-S1421 PolarHBondContact OE1-OG 2.91Å; E1419-S1429 PolarHBondContact OE1-OG 2.96Å; E1419-S1429 PolarHBondContact OE2-OG 3.09Å; E1419-L1430 CarbonylContact O-C 3.56Å; E1419-L1430 WeakPolarHBondContact O-CA 3.45Å; E1419-L1431 HydrophobicContact CB-CB 3.88Å; E1419-L1431 PolarHBondContact N-O 2.92Å; E1419-L1431 PolarHBondContact O-N 2.8Å |
| 1420 | N | 91 | Very high | 86.1 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 84.5 | 165.8 | -176.8 | 0.3 | 0 | 0 | 0 | 110.8 | I1417 S1429 L1430 | I1417-N1420 HydrophobicContact CG2-CB 3.95Å; N1420-S1429 WeakPolarHBondContact CA-O 2.97Å; N1420-L1430 HydrophobicContact CB-CD1 3.76Å |
| 1421 | S | 91.7 | Very high | 87.4 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | trans | -91.2 | -5.5 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | E1419 G1423 H1424 K1425 G1428 S1429 | E1419-S1421 WeakPolarHBondContact OE1-CB 3Å; E1419-S1421 PolarHBondContact OE1-OG 2.91Å; S1421-G1423 VanDerWaalsContact C-N 3.31Å; S1421-G1423 PolarHBondContact O-N 3.03Å; S1421-H1424 PolarHBondContact O-N 3.35Å; S1421-H1424 VanDerWaalsContact O-N 3.16Å; S1421-K1425 PolarHBondContact O-N 3.13Å; S1421-G1428 WeakPolarHBondContact OG-CA 3.35Å; S1421-S1429 PolarHBondContact N-O 3.45Å; S1421-S1429 PolarHBondContact OG-N 3.13Å; S1421-S1429 PolarHBondContact OG-O 3.44Å | ||
| 1422 | C | 88.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.8 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 114 | C1384 I1390 H1424 | C1384-C1422 HydrophobicContact CB-CB 4.04Å; C1384-C1422 WeakPolarHBondContact CB-SG 3.03Å; C1384-C1422 WeakPolarHBondContact SG-CA 3.32Å; C1384-C1422 WeakPolarHBondContact SG-CB 3.44Å; C1384-C1422 CovalentContact SG-SG 2.02Å; C1384-C1422 PolarHBondContact SG-SG 3.36Å; I1390-C1422 HydrophobicContact CB-CB 4.12Å; I1390-C1422 HydrophobicContact CG2-CB 3.76Å; C1422-H1424 VanDerWaalsContact C-N 3.26Å; C1422-H1424 PolarHBondContact O-N 2.73Å |
| 1423 | G | 78 | Confident | 88.6 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S1421 | S1421-G1423 VanDerWaalsContact C-N 3.31Å; S1421-G1423 PolarHBondContact O-N 3.03Å |
| 1424 | H | 75.9 | Confident | 88.7 | Confident | 142 Ų | 142 | 52.8 Ų | 52.8 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -14.1 | -166.2 | -70.1 | -83.9 | 0 | 0 | 0 | 114.9 | S1421 C1422 | S1421-H1424 PolarHBondContact O-N 3.35Å; S1421-H1424 VanDerWaalsContact O-N 3.16Å; C1422-H1424 VanDerWaalsContact C-N 3.26Å; C1422-H1424 PolarHBondContact O-N 2.73Å |
| 1425 | K | 76.7 | Confident | 88.9 | Confident | 112 Ų | 112 | 53 Ų | 53 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -132.9 | 157.8 | -174 | -66.1 | -178.2 | -179.9 | 178.7 | 0 | 111.2 | S1421 S1427 | S1421-K1425 PolarHBondContact O-N 3.13Å; K1425-S1427 WeakPolarHBondContact CB-O 3.45Å; K1425-S1427 PolarHBondContact O-N 3.38Å |
| 1426 | Q | 82 | Confident | 89 | Confident | 156 Ų | 156 | 50.7 Ų | 50.7 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -63.9 | -29.1 | 171.2 | -88.1 | -171.3 | -24.2 | 0 | 0 | 112.6 | R1385 N1386 | R1385-Q1426 CarbonylContact C-O 3.31Å; R1385-Q1426 WeakPolarHBondContact CA-O 3.25Å; R1385-Q1426 WeakPolarHBondContact CG-O 3.35Å; N1386-Q1426 PolarHBondContact N-O 2.84Å |
| 1427 | S | 89.3 | Confident | 89.1 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.7 | 168.5 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | C1384 K1425 | C1384-S1427 CarbonylContact O-C 3.49Å; C1384-S1427 VanDerWaalsContact O-CA 3.31Å; C1384-S1427 WeakPolarHBondContact O-CA 3.48Å; K1425-S1427 WeakPolarHBondContact CB-O 3.45Å; K1425-S1427 PolarHBondContact O-N 3.38Å |
| 1428 | G | 91.3 | Very high | 89.2 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -167 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1383 C1384 S1421 | N1383-G1428 WeakPolarHBondContact CA-O 3.24Å; C1384-G1428 PolarHBondContact N-O 2.85Å; C1384-G1428 PolarHBondContact O-N 3.03Å; C1384-G1428 PolarHBondContact SG-O 3.28Å; S1421-G1428 WeakPolarHBondContact OG-CA 3.35Å |
| 1429 | S | 93.5 | Very high | 89.4 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.6 | -177.7 | 22.2 | 0 | 0 | 0 | 0 | 110.9 | E1419 N1420 S1421 | E1419-S1429 PolarHBondContact OE1-OG 2.96Å; E1419-S1429 PolarHBondContact OE2-OG 3.09Å; N1420-S1429 WeakPolarHBondContact CA-O 2.97Å; S1421-S1429 PolarHBondContact N-O 3.45Å; S1421-S1429 PolarHBondContact OG-N 3.13Å; S1421-S1429 PolarHBondContact OG-O 3.44Å |
| 1430 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.5 | 164 | 176.9 | 77.9 | 0 | 0 | 0 | 107.1 | K1381 V1382 I1390 L1391 I1394 I1417 E1419 N1420 L1432 | K1381-L1430 WeakPolarHBondContact CA-O 2.97Å; V1382-L1430 HydrophobicContact CB-CB 4.34Å; V1382-L1430 PolarHBondContact N-O 3.22Å; V1382-L1430 PolarHBondContact O-N 2.9Å; I1390-L1430 HydrophobicContact CG1-CD2 4.11Å; I1390-L1430 HydrophobicContact CG2-CB 4.27Å; I1390-L1430 HydrophobicContact CG2-CD1 4.18Å; I1390-L1430 HydrophobicContact CG2-CD2 3.97Å; I1390-L1430 HydrophobicContact CG2-CG 4.37Å; L1391-L1430 HydrophobicContact CD2-CD1 4.09Å; L1391-L1430 HydrophobicContact CD2-CD2 3.86Å; L1391-L1430 HydrophobicContact CG-CD1 4.26Å; L1391-L1430 HydrophobicContact CG-CD2 4.41Å; I1394-L1430 HydrophobicContact CD1-CD2 3.75Å; I1417-L1430 HydrophobicContact CG2-CD1 4.03Å; E1419-L1430 CarbonylContact O-C 3.56Å; E1419-L1430 WeakPolarHBondContact O-CA 3.45Å; N1420-L1430 HydrophobicContact CB-CD1 3.76Å; L1430-L1432 HydrophobicContact CD1-CD2 4.21Å; L1430-L1432 HydrophobicContact CD2-CD1 3.92Å; L1430-L1432 HydrophobicContact CD2-CD2 4.11Å; L1430-L1432 HydrophobicContact CD2-CG 4.02Å; L1430-L1432 HydrophobicContact CG-CD1 4.44Å; L1430-L1432 HydrophobicContact CG-CD2 4.05Å; L1430-L1432 HydrophobicContact CG-CG 4.01Å |
| 1431 | L | 93.7 | Very high | 89.7 | Confident | 41 Ų | 41 | 46.4 Ų | 46.4 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.9 | 175.6 | -179.5 | 62.8 | 0 | 0 | 0 | 109.1 | K1381 E1418 E1419 | K1381-L1431 HydrophobicContact CB-CD1 3.94Å; E1418-L1431 HydrophobicContact CB-CB 4.3Å; E1418-L1431 HydrophobicContact CB-CD2 3.79Å; E1418-L1431 HydrophobicContact CB-CG 3.93Å; E1418-L1431 PolarHBondContact N-O 3.43Å; E1418-L1431 WeakPolarHBondContact OE2-CD2 3.46Å; E1419-L1431 HydrophobicContact CB-CB 3.88Å; E1419-L1431 PolarHBondContact N-O 2.92Å; E1419-L1431 PolarHBondContact O-N 2.8Å |
| 1432 | L | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.9 | -178.1 | -60.8 | 170.3 | 0 | 0 | 0 | 110.1 | R1379 L1380 L1391 I1394 F1406 I1415 I1417 L1430 | R1379-L1432 CarbonylContact C-O 3.15Å; R1379-L1432 WeakPolarHBondContact CA-O 3.35Å; L1380-L1432 HydrophobicContact CB-CB 4.37Å; L1380-L1432 HydrophobicContact CD2-CD1 4.46Å; L1380-L1432 PolarHBondContact N-O 3.2Å; L1380-L1432 PolarHBondContact O-N 2.93Å; L1391-L1432 HydrophobicContact CD2-CD2 4.34Å; I1394-L1432 HydrophobicContact CD1-CD1 4.32Å; F1406-L1432 HydrophobicContact CE1-CD1 3.7Å; F1406-L1432 HydrophobicContact CE1-CD2 4.06Å; F1406-L1432 HydrophobicContact CZ-CD1 3.58Å; I1415-L1432 HydrophobicContact CG2-CD2 4.24Å; I1417-L1432 HydrophobicContact CG1-CD2 3.84Å; L1430-L1432 HydrophobicContact CD1-CD2 4.21Å; L1430-L1432 HydrophobicContact CD2-CD1 3.92Å; L1430-L1432 HydrophobicContact CD2-CD2 4.11Å; L1430-L1432 HydrophobicContact CD2-CG 4.02Å; L1430-L1432 HydrophobicContact CG-CD1 4.44Å; L1430-L1432 HydrophobicContact CG-CD2 4.05Å; L1430-L1432 HydrophobicContact CG-CG 4.01Å |
| 1433 | T | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.4 | 165.7 | -72.8 | 0 | 0 | 0 | 0 | 108.1 | I1377 Q1378 R1379 E1416 E1418 R1435 | I1377-T1433 HydrophobicContact CG2-CG2 4.17Å; Q1378-T1433 WeakPolarHBondContact O-CA 3.38Å; R1379-T1433 WeakPolarHBondContact CG-OG1 3.2Å; R1379-T1433 PolarHBondContact NE-OG1 3.23Å; E1416-T1433 PolarHBondContact N-O 3.23Å; E1416-T1433 PolarHBondContact O-N 3.25Å; E1418-T1433 VanDerWaalsContact CD-OG1 3.29Å; E1418-T1433 WeakPolarHBondContact OE1-CB 3.14Å; E1418-T1433 PolarHBondContact OE1-OG1 3.38Å; T1433-R1435 HydrophobicContact CG2-CG 4.16Å |
| 1434 | V | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.6 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | I1377 Q1378 L1396 F1413 L1442 | I1377-V1434 WeakPolarHBondContact CA-O 3.47Å; Q1378-V1434 PolarHBondContact N-O 2.79Å; Q1378-V1434 PolarHBondContact O-N 2.67Å; L1396-V1434 HydrophobicContact CD1-CG2 3.98Å; F1413-V1434 HydrophobicContact CD1-CG1 3.96Å; V1434-L1442 HydrophobicContact CG1-CD2 4.35Å |
| 1435 | R | 92.4 | Very high | 91.8 | Very high | 67 Ų | 67 | 38.5 Ų | 38.5 | 25% | 0.253 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.1 | 176.7 | -68.6 | -177.8 | 161.9 | 133.7 | -1.6 | 110.7 | A1376 I1377 F1413 S1414 E1416 T1433 | A1376-R1435 WeakPolarHBondContact O-CA 3.4Å; I1377-R1435 HydrophobicContact CB-CG 4.4Å; I1377-R1435 HydrophobicContact CG1-CG 4.08Å; I1377-R1435 HydrophobicContact CG2-CG 3.97Å; F1413-R1435 CarbonylContact C-O 3.5Å; F1413-R1435 WeakPolarHBondContact CA-O 3.46Å; S1414-R1435 PolarHBondContact N-O 3.42Å; S1414-R1435 PolarHBondContact O-N 2.84Å; E1416-R1435 IonicContact OE1-CZ 2.71Å; E1416-R1435 IonicContact OE1-NE 3.88Å; E1416-R1435 IonicContact OE1-NH1 3.35Å; E1416-R1435 PolarHBondContact OE1-NH1 2.73Å; E1416-R1435 IonicContact OE2-CZ 3.65Å; E1416-R1435 IonicContact OE2-NH1 2.75Å; E1416-R1435 PolarHBondContact OE2-NH1 2.72Å; T1433-R1435 HydrophobicContact CG2-CG 4.16Å |
| 1436 | T | 92.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 149.4 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 112 | V1375 A1376 L1412 Q1438 L1441 L1442 | V1375-T1436 WeakPolarHBondContact CA-O 3.4Å; A1376-T1436 HydrophobicContact CB-CG2 4.17Å; A1376-T1436 PolarHBondContact N-O 3.49Å; A1376-T1436 PolarHBondContact O-N 3.2Å; L1412-T1436 WeakPolarHBondContact O-CB 3.49Å; L1412-T1436 PolarHBondContact O-OG1 3.32Å; T1436-Q1438 VanDerWaalsContact C-N 3.28Å; T1436-Q1438 VanDerWaalsContact CG2-O 3.3Å; T1436-Q1438 WeakPolarHBondContact CG2-O 3.25Å; T1436-Q1438 PolarHBondContact OG1-N 2.95Å; T1436-Q1438 VanDerWaalsContact OG1-N 3.11Å; T1436-L1441 HydrophobicContact CG2-CB 4.36Å; T1436-L1442 HydrophobicContact CG2-CD1 3.9Å; T1436-L1442 HydrophobicContact CG2-CG 4.01Å |
| 1437 | K | 92.2 | Very high | 93 | Very high | 117 Ų | 117 | 26.1 Ų | 26.1 | 51% | 0.509 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -91.5 | 13.9 | 170.6 | -46.4 | -167.6 | -169.3 | -164 | 0 | 112.4 | E1374 D1472 | E1374-K1437 CarbonylContact O-C 3.55Å; E1374-K1437 WeakPolarHBondContact O-CA 3.33Å; K1437-D1472 WeakPolarHBondContact CE-OD2 3.32Å; K1437-D1472 IonicContact NZ-OD1 3.26Å; K1437-D1472 IonicContact NZ-OD2 2.67Å; K1437-D1472 PolarHBondContact NZ-OD2 3.44Å |
| 1438 | Q | 92.7 | Very high | 93 | Very high | 92 Ų | 92 | 23.8 Ų | 23.8 | 43% | 0.43 | 12% | 0.12 | S | C | . | . | trans | -127.4 | 87.1 | 171.9 | -68.7 | -173.3 | -5.3 | 0 | 0 | 108.2 | T1436 S1440 L1441 | T1436-Q1438 VanDerWaalsContact C-N 3.28Å; T1436-Q1438 VanDerWaalsContact CG2-O 3.3Å; T1436-Q1438 WeakPolarHBondContact CG2-O 3.25Å; T1436-Q1438 PolarHBondContact OG1-N 2.95Å; T1436-Q1438 VanDerWaalsContact OG1-N 3.11Å; Q1438-S1440 PolarHBondContact O-N 3.45Å; Q1438-L1441 HydrophobicContact CB-CD1 3.84Å; Q1438-L1441 HydrophobicContact CB-CG 3.85Å; Q1438-L1441 WeakPolarHBondContact O-CB 3.49Å; Q1438-L1441 WeakPolarHBondContact O-CG 3.43Å; Q1438-L1441 PolarHBondContact O-N 3.39Å | ||
| 1439 | P | 93.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 7% | 0.071 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -55.7 | -28 | -173.5 | -30.5 | 37.7 | 0 | 0 | 0 | 115.1 | Q1370 S1373 A1376 L1441 L1442 Y1468 | Q1370-P1439 HydrophobicContact CB-CB 4.17Å; Q1370-P1439 HydrophobicContact CG-CB 4.38Å; Q1370-P1439 WeakPolarHBondContact O-CB 3.33Å; S1373-P1439 WeakPolarHBondContact O-CG 3.1Å; A1376-P1439 HydrophobicContact CB-CB 4.03Å; A1376-P1439 HydrophobicContact CB-CG 4.44Å; P1439-L1441 PolarHBondContact O-N 3.49Å; P1439-L1441 VanDerWaalsContact O-N 3.1Å; P1439-L1442 PolarHBondContact O-N 3.03Å; P1439-Y1468 HydrophobicContact CB-CD1 4.15Å; P1439-Y1468 HydrophobicContact CB-CE1 4.23Å |
| 1440 | S | 93.6 | Very high | 92.6 | Very high | 64 Ų | 64 | 23.3 Ų | 23.3 | 45% | 0.448 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -67.4 | 0.9 | 174.4 | 54.3 | 0 | 0 | 0 | 0 | 115.5 | Q1438 | Q1438-S1440 PolarHBondContact O-N 3.45Š|
| 1441 | L | 94.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -92.1 | -10.2 | 167.5 | -54.4 | -176.9 | 0 | 0 | 0 | 112.7 | S1398 D1399 N1400 M1402 L1412 F1413 T1436 Q1438 P1439 | S1398-L1441 WeakPolarHBondContact CB-O 2.98Å; D1399-L1441 PolarHBondContact N-O 2.71Å; N1400-L1441 WeakPolarHBondContact ND2-CD2 3.46Å; M1402-L1441 HydrophobicContact CE-CD2 3.87Å; L1412-L1441 HydrophobicContact CB-CD1 3.92Å; L1412-L1441 HydrophobicContact CD1-CD1 4.32Å; F1413-L1441 HydrophobicContact CE1-CB 3.68Å; F1413-L1441 HydrophobicContact CE1-CD1 3.88Å; F1413-L1441 HydrophobicContact CE1-CG 4.43Å; F1413-L1441 HydrophobicContact CE2-CD1 4.16Å; F1413-L1441 HydrophobicContact CZ-CB 3.78Å; F1413-L1441 HydrophobicContact CZ-CD1 3.61Å; F1413-L1441 HydrophobicContact CZ-CG 4.23Å; T1436-L1441 HydrophobicContact CG2-CB 4.36Å; Q1438-L1441 HydrophobicContact CB-CD1 3.84Å; Q1438-L1441 HydrophobicContact CB-CG 3.85Å; Q1438-L1441 WeakPolarHBondContact O-CB 3.49Å; Q1438-L1441 WeakPolarHBondContact O-CG 3.43Å; Q1438-L1441 PolarHBondContact O-N 3.39Å; P1439-L1441 PolarHBondContact O-N 3.49Å; P1439-L1441 VanDerWaalsContact O-N 3.1Å |
| 1442 | L | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -121.1 | 152.2 | 178.4 | -72.8 | -177.6 | 0 | 0 | 0 | 110.3 | Q1370 A1376 Q1378 V1434 T1436 P1439 I1444 I1466 Y1468 | Q1370-L1442 PolarHBondContact NE2-O 2.94Å; A1376-L1442 HydrophobicContact CB-CB 4.1Å; A1376-L1442 HydrophobicContact CB-CD1 3.86Å; A1376-L1442 HydrophobicContact CB-CG 4.46Å; Q1378-L1442 HydrophobicContact CB-CD1 4.31Å; V1434-L1442 HydrophobicContact CG1-CD2 4.35Å; T1436-L1442 HydrophobicContact CG2-CD1 3.9Å; T1436-L1442 HydrophobicContact CG2-CG 4.01Å; P1439-L1442 PolarHBondContact O-N 3.03Å; L1442-I1444 HydrophobicContact CD2-CD1 3.6Å; L1442-I1444 HydrophobicContact CD2-CG1 3.88Å; L1442-I1466 HydrophobicContact CB-CD1 3.69Å; L1442-I1466 HydrophobicContact CD1-CD1 3.81Å; L1442-I1466 HydrophobicContact CG-CD1 4.31Å; L1442-Y1468 PolarHBondContact O-OH 3.41Å; L1442-Y1468 VanDerWaalsContact O-OH 3.05Å | ||
| 1443 | P | 95.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | S | Bend | cis | -82.5 | 169.4 | 13.3 | 36.2 | -36.6 | 0 | 0 | 0 | 114.6 | Y1359 D1399 R1445 I1466 Y1468 | Y1359-P1443 HydrophobicContact CD1-CB 4.44Å; Y1359-P1443 HydrophobicContact CD2-CB 4.04Å; Y1359-P1443 HydrophobicContact CD2-CG 3.63Å; Y1359-P1443 HydrophobicContact CE1-CB 3.97Å; Y1359-P1443 HydrophobicContact CE2-CB 3.52Å; Y1359-P1443 HydrophobicContact CE2-CG 3.48Å; Y1359-P1443 VanDerWaalsContact CE2-CG 3.48Å; Y1359-P1443 HydrophobicContact CG-CB 4.49Å; Y1359-P1443 HydrophobicContact CG-CG 4.27Å; Y1359-P1443 VanDerWaalsContact CZ-CB 3.49Å; D1399-P1443 PolarHBondContact N-O 2.57Å; D1399-P1443 VanDerWaalsContact N-O 3.13Å; P1443-R1445 PolarHBondContact O-N 3.35Å; P1443-I1466 HydrophobicContact CB-CB 4.22Å; P1443-I1466 HydrophobicContact CB-CG1 4.18Å; P1443-I1466 HydrophobicContact CB-CG2 4.17Å; P1443-Y1468 WeakPolarHBondContact CD-OH 3.27Å |
| 1444 | I | 94.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -66.6 | 127.8 | 168 | -60.7 | -56.5 | 0 | 0 | 0 | 109.6 | I1357 Y1359 L1396 L1397 I1404 L1442 | I1357-I1444 HydrophobicContact CD1-CG2 4.44Å; Y1359-I1444 WeakPolarHBondContact CE2-O 3.49Å; Y1359-I1444 PolarHBondContact OH-O 2.81Å; L1396-I1444 HydrophobicContact CB-CD1 4.05Å; L1396-I1444 HydrophobicContact CB-CG2 4.24Å; L1396-I1444 HydrophobicContact CD1-CD1 4.1Å; L1396-I1444 HydrophobicContact CD1-CG1 4.38Å; L1397-I1444 CarbonylContact O-C 2.96Å; L1397-I1444 WeakPolarHBondContact O-CA 2.98Å; I1404-I1444 HydrophobicContact CD1-CD1 3.92Å; L1442-I1444 HydrophobicContact CD2-CD1 3.6Å; L1442-I1444 HydrophobicContact CD2-CG1 3.88Å | ||
| 1445 | R | 92.9 | Very high | 87.5 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | trans | -98.1 | -24.2 | -177.5 | -71.3 | -65.1 | 179.7 | -171.4 | -1.4 | 114.6 | Q1356 I1357 L1397 D1399 P1443 | Q1356-R1445 HydrophobicContact CB-CB 4.39Å; Q1356-R1445 HydrophobicContact CG-CB 4.43Å; I1357-R1445 WeakPolarHBondContact CG1-O 3.34Å; I1357-R1445 PolarHBondContact N-O 3.47Å; I1357-R1445 PolarHBondContact O-NH1 2.66Å; I1357-R1445 VanDerWaalsContact O-NH1 3.15Å; L1397-R1445 HydrophobicContact CD2-CB 4.24Å; L1397-R1445 HydrophobicContact CG-CB 4.41Å; L1397-R1445 PolarHBondContact O-N 3.25Å; D1399-R1445 IonicContact OD1-CZ 3.44Å; D1399-R1445 IonicContact OD1-NE 2.83Å; D1399-R1445 PolarHBondContact OD1-NE 2.94Å; D1399-R1445 IonicContact OD1-NH2 3.41Å; D1399-R1445 PolarHBondContact OD1-NH2 3.4Å; P1443-R1445 PolarHBondContact O-N 3.35Å | ||
| 1446 | D | 91.9 | Very high | 87 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 172.4 | -179.5 | -144.8 | -33.9 | 0 | 0 | 0 | 112.3 | W1344 Y1345 S1346 L1397 | W1344-D1446 HydrophobicContact CE3-CB 3.72Å; W1344-D1446 HydrophobicContact CZ3-CB 4Å; Y1345-D1446 PolarHBondContact N-OD1 3.03Å; S1346-D1446 VanDerWaalsContact CB-OD2 3.29Å; S1346-D1446 WeakPolarHBondContact CB-OD2 3.43Å; S1346-D1446 PolarHBondContact N-OD1 3.21Å; S1346-D1446 PolarHBondContact OG-OD2 2.89Å; L1397-D1446 HydrophobicContact CB-CB 3.91Å; L1397-D1446 HydrophobicContact CD2-CB 3.94Å; L1397-D1446 PolarHBondContact N-O 3.5Å |
| 1447 | I | 91.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.2 | 169.4 | -52.5 | -173.2 | 0 | 0 | 0 | 109.5 | Y1345 L1380 V1382 I1394 S1395 L1396 I1449 L1461 | Y1345-I1447 WeakPolarHBondContact CB-O 3.45Å; Y1345-I1447 PolarHBondContact N-O 2.79Å; L1380-I1447 HydrophobicContact CD2-CD1 3.92Å; V1382-I1447 HydrophobicContact CG2-CD1 4.22Å; I1394-I1447 HydrophobicContact CB-CG2 3.97Å; I1394-I1447 HydrophobicContact CG2-CG2 4Å; S1395-I1447 CarbonylContact O-C 3.5Å; S1395-I1447 WeakPolarHBondContact O-CA 3.49Å; L1396-I1447 HydrophobicContact CD2-CD1 4.04Å; L1396-I1447 HydrophobicContact CD2-CG1 3.85Å; L1396-I1447 HydrophobicContact CD2-CG2 4.29Å; I1447-I1449 HydrophobicContact CG2-CG1 4.45Å; I1447-L1461 HydrophobicContact CD1-CD1 3.48Å; I1447-L1461 VanDerWaalsContact CD1-CD1 3.48Å; I1447-L1461 HydrophobicContact CD1-CD2 3.64Å; I1447-L1461 HydrophobicContact CD1-CG 4.17Å; I1447-L1461 HydrophobicContact CG1-CD2 4.14Å |
| 1448 | R | 90.2 | Very high | 86.4 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135 | 170.4 | -157.2 | -173.7 | 64.7 | -171.4 | -5.9 | 109.7 | L1343 W1344 I1394 S1395 L1403 E1405 | L1343-R1448 CarbonylContact O-C 3.5Å; L1343-R1448 WeakPolarHBondContact O-CA 3.27Å; W1344-R1448 HydrophobicContact CD2-CB 4.34Å; W1344-R1448 HydrophobicContact CD2-CG 4.29Å; W1344-R1448 HydrophobicContact CE3-CB 3.75Å; W1344-R1448 HydrophobicContact CE3-CG 4.2Å; W1344-R1448 HydrophobicContact CH2-CB 3.94Å; W1344-R1448 HydrophobicContact CH2-CG 4.24Å; W1344-R1448 HydrophobicContact CZ2-CB 4.48Å; W1344-R1448 HydrophobicContact CZ2-CG 4.3Å; W1344-R1448 HydrophobicContact CZ3-CB 3.53Å; W1344-R1448 HydrophobicContact CZ3-CG 4.18Å; I1394-R1448 CarbonylContact C-O 3.43Å; I1394-R1448 VanDerWaalsContact CA-O 3.31Å; I1394-R1448 WeakPolarHBondContact CA-O 3.04Å; S1395-R1448 PolarHBondContact N-O 3.14Å; S1395-R1448 PolarHBondContact O-N 3.17Å; S1395-R1448 PolarHBondContact OG-NH2 3.17Å; L1403-R1448 VanDerWaalsContact CD2-CZ 3.47Å; E1405-R1448 IonicContact OE1-CZ 3.91Å; E1405-R1448 IonicContact OE1-NH1 3.73Å; E1405-R1448 PolarHBondContact OE1-NH1 3.24Å; E1405-R1448 IonicContact OE1-NH2 2.82Å; E1405-R1448 PolarHBondContact OE1-NH2 3.15Å |
| 1449 | I | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131 | -179.1 | -60.4 | 163.4 | 0 | 0 | 0 | 109.8 | I1333 L1335 R1342 L1343 Y1345 I1393 I1394 I1447 T1451 L1459 | I1333-I1449 HydrophobicContact CD1-CD1 3.37Å; L1335-I1449 HydrophobicContact CD1-CG2 4.29Å; L1335-I1449 HydrophobicContact CD2-CG2 4.08Å; R1342-I1449 VanDerWaalsContact CA-O 3.27Å; R1342-I1449 WeakPolarHBondContact CA-O 3.48Å; L1343-I1449 PolarHBondContact N-O 2.79Å; L1343-I1449 PolarHBondContact O-N 2.78Å; Y1345-I1449 HydrophobicContact CD2-CD1 4.03Å; I1393-I1449 HydrophobicContact CG2-CG2 3.88Å; I1393-I1449 CarbonylContact O-C 3.38Å; I1394-I1449 HydrophobicContact CG2-CG1 4.38Å; I1447-I1449 HydrophobicContact CG2-CG1 4.45Å; I1449-T1451 HydrophobicContact CG2-CG2 4.06Å; I1449-L1459 HydrophobicContact CD1-CD2 3.61Å; I1449-L1459 HydrophobicContact CG1-CD2 4.17Å |
| 1450 | T | 87.7 | Confident | 86.1 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 95.6 | -176.7 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | K1341 R1342 I1393 N1452 | K1341-T1450 CarbonylContact O-C 3.54Å; K1341-T1450 WeakPolarHBondContact O-CA 3.37Å; R1342-T1450 HydrophobicContact CG-CG2 4.29Å; I1393-T1450 PolarHBondContact O-N 3.42Å; I1393-T1450 PolarHBondContact O-OG1 3.4Å; T1450-N1452 VanDerWaalsContact C-N 3.3Å; T1450-N1452 PolarHBondContact O-N 3Å |
| 1451 | T | 76.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 31.7 Ų | 31.7 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | trans | -82.5 | 48.3 | -167.5 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | L1335 Q1340 K1341 L1343 I1449 G1453 | L1335-T1451 HydrophobicContact CB-CG2 4.34Å; L1335-T1451 HydrophobicContact CD2-CG2 4.17Å; Q1340-T1451 PolarHBondContact O-OG1 3.18Å; K1341-T1451 WeakPolarHBondContact CA-OG1 3.4Å; K1341-T1451 PolarHBondContact O-N 3.36Å; K1341-T1451 PolarHBondContact O-OG1 2.71Å; L1343-T1451 HydrophobicContact CD1-CG2 3.95Å; I1449-T1451 HydrophobicContact CG2-CG2 4.06Å; T1451-G1453 VanDerWaalsContact C-N 3.3Å; T1451-G1453 PolarHBondContact O-N 2.75Å | ||
| 1452 | N | 71.6 | Confident | 85.8 | Confident | 106 Ų | 106 | 33.8 Ų | 33.8 | 57% | 0.567 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -74.7 | 74.2 | 178.8 | -77.7 | -46.8 | 0 | 0 | 0 | 112.7 | K1341 T1450 | K1341-N1452 WeakPolarHBondContact CE-OD1 3.41Å; K1341-N1452 PolarHBondContact NZ-OD1 2.92Å; K1341-N1452 VanDerWaalsContact NZ-OD1 3.16Å; T1450-N1452 VanDerWaalsContact C-N 3.3Å; T1450-N1452 PolarHBondContact O-N 3Å |
| 1453 | G | 66.9 | Low | 85.6 | Confident | 46 Ų | 46 | 34 Ų | 34 | 47% | 0.474 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 94.7 | 17.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1451 Y1455 | T1451-G1453 VanDerWaalsContact C-N 3.3Å; T1451-G1453 PolarHBondContact O-N 2.75Å; G1453-Y1455 WeakPolarHBondContact O-CD2 3.35Å; G1453-Y1455 PolarHBondContact O-N 2.98Å; G1453-Y1455 VanDerWaalsContact O-N 3.17Å |
| 1454 | L | 70 | Confident | 85.3 | Confident | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | trans | -83.5 | 84.8 | -179.4 | -71.5 | 160.2 | 0 | 0 | 0 | 111.3 | L1335 I1387 I1393 | L1335-L1454 HydrophobicContact CD1-CB 4.22Å; L1335-L1454 HydrophobicContact CD1-CD1 4.1Å; I1387-L1454 HydrophobicContact CG1-CD2 4.36Å; I1387-L1454 HydrophobicContact CG2-CD2 4.4Å; I1393-L1454 HydrophobicContact CD1-CD1 3.71Å; I1393-L1454 HydrophobicContact CD1-CD2 4.32Å; I1393-L1454 HydrophobicContact CG1-CD1 4.1Å; I1393-L1454 HydrophobicContact CG2-CD1 3.94Å | ||
| 1455 | Y | 71.1 | Confident | 85.2 | Confident | 189 Ų | 189 | 37.2 Ų | 37.2 | 74% | 0.741 | 20% | 0.201 | S | C | * | . | trans | -90.8 | 139.6 | 173.5 | -55.8 | -78.9 | 0 | 0 | 0 | 110.6 | G1453 S1457 | G1453-Y1455 WeakPolarHBondContact O-CD2 3.35Å; G1453-Y1455 PolarHBondContact O-N 2.98Å; G1453-Y1455 VanDerWaalsContact O-N 3.17Å; Y1455-S1457 PolarHBondContact O-N 3.37Å | ||
| 1456 | D | 81.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 36 Ų | 36 | 67% | 0.668 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 54.6 | 28.9 | -175.1 | -109.2 | 27.7 | 0 | 0 | 0 | 115.4 | N1386 | N1386-D1456 PolarHBondContact ND2-O 3.41Š|
| 1457 | S | 86.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -94.3 | 140.5 | 171.7 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | L1335 R1385 N1386 Y1455 | L1335-S1457 PolarHBondContact N-O 3.43Å; R1385-S1457 VanDerWaalsContact O-CA 3.29Å; R1385-S1457 WeakPolarHBondContact O-CA 3.34Å; N1386-S1457 PolarHBondContact O-OG 3.34Å; Y1455-S1457 PolarHBondContact O-N 3.37Å | ||
| 1458 | E | 87.7 | Confident | 85.7 | Confident | 26 Ų | 26 | 36 Ų | 36 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.1 | 176.8 | 171.8 | -178.7 | -153.3 | 0 | 0 | 109.9 | S1332 I1333 Y1334 R1385 | S1332-E1458 WeakPolarHBondContact CB-OE1 3.48Å; S1332-E1458 PolarHBondContact OG-OE1 3.15Å; I1333-E1458 WeakPolarHBondContact O-CA 3.42Å; Y1334-E1458 HydrophobicContact CD1-CB 3.93Å; Y1334-E1458 HydrophobicContact CD1-CG 4.2Å; Y1334-E1458 HydrophobicContact CE1-CB 3.84Å; Y1334-E1458 HydrophobicContact CE1-CG 3.79Å; Y1334-E1458 VanDerWaalsContact OH-CD 3.29Å; Y1334-E1458 PolarHBondContact OH-OE1 3.12Å; R1385-E1458 HydrophobicContact CB-CB 4.06Å; R1385-E1458 WeakPolarHBondContact CD-OE2 3.42Å; R1385-E1458 IonicContact CZ-OE2 4Å; R1385-E1458 PolarHBondContact N-O 2.87Å; R1385-E1458 IonicContact NE-OE2 3.84Å; R1385-E1458 IonicContact NH1-OE2 3.45Å; R1385-E1458 PolarHBondContact NH1-OE2 3.09Å; R1385-E1458 PolarHBondContact O-N 3.49Å |
| 1459 | L | 89.5 | Confident | 85.5 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.2 | 177.1 | -157.6 | 83.2 | 0 | 0 | 0 | 109.3 | S1332 I1333 Y1345 V1382 N1383 C1384 I1387 I1390 I1449 | S1332-L1459 CarbonylContact C-O 3.57Å; S1332-L1459 WeakPolarHBondContact CA-O 3.38Å; S1332-L1459 WeakPolarHBondContact CB-O 3.42Å; I1333-L1459 HydrophobicContact CD1-CB 4.26Å; I1333-L1459 HydrophobicContact CD1-CD2 4.34Å; I1333-L1459 HydrophobicContact CG1-CB 3.81Å; I1333-L1459 PolarHBondContact N-O 3.4Å; I1333-L1459 PolarHBondContact O-N 3.28Å; Y1345-L1459 HydrophobicContact CD2-CD2 4.29Å; Y1345-L1459 HydrophobicContact CE2-CD2 4.18Å; V1382-L1459 HydrophobicContact CG1-CD1 3.62Å; V1382-L1459 HydrophobicContact CG1-CD2 4Å; V1382-L1459 HydrophobicContact CG1-CG 3.84Å; N1383-L1459 WeakPolarHBondContact O-CA 3.3Å; N1383-L1459 WeakPolarHBondContact O-CD1 3.46Å; C1384-L1459 HydrophobicContact CB-CD1 4.32Å; I1387-L1459 HydrophobicContact CD1-CD1 3.59Å; I1390-L1459 HydrophobicContact CD1-CD1 3.68Å; I1449-L1459 HydrophobicContact CD1-CD2 3.61Å; I1449-L1459 HydrophobicContact CG1-CD2 4.17Å |
| 1460 | S | 89.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 35.9 Ų | 35.9 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.7 | 161.1 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | Y1345 N1383 | Y1345-S1460 WeakPolarHBondContact OH-CA 3.36Å; N1383-S1460 WeakPolarHBondContact CB-OG 3.38Å; N1383-S1460 PolarHBondContact N-O 3.45Å; N1383-S1460 PolarHBondContact ND2-OG 2.81Å; N1383-S1460 PolarHBondContact O-N 2.79Å |
| 1461 | L | 89.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.3 | -174.1 | -177.8 | 58.6 | 0 | 0 | 0 | 111.8 | M1330 Y1345 I1357 L1380 V1382 I1447 V1463 | M1330-L1461 HydrophobicContact CB-CB 4.43Å; M1330-L1461 PolarHBondContact N-O 3.17Å; M1330-L1461 HydrophobicContact SD-CD2 4.24Å; Y1345-L1461 HydrophobicContact CD1-CB 4.44Å; Y1345-L1461 HydrophobicContact CD1-CD2 4.17Å; Y1345-L1461 HydrophobicContact CD2-CB 4.34Å; Y1345-L1461 HydrophobicContact CE1-CB 3.8Å; Y1345-L1461 HydrophobicContact CE1-CD2 4.26Å; Y1345-L1461 HydrophobicContact CE2-CB 3.69Å; Y1345-L1461 HydrophobicContact CG-CD2 4.37Å; Y1345-L1461 VanDerWaalsContact CZ-CB 3.41Å; Y1345-L1461 PolarHBondContact OH-N 2.87Å; I1357-L1461 HydrophobicContact CD1-CD2 4.27Å; L1380-L1461 HydrophobicContact CD1-CD1 3.79Å; L1380-L1461 HydrophobicContact CG-CD1 4.02Å; V1382-L1461 HydrophobicContact CG2-CD1 4.08Å; I1447-L1461 HydrophobicContact CD1-CD1 3.48Å; I1447-L1461 VanDerWaalsContact CD1-CD1 3.48Å; I1447-L1461 HydrophobicContact CD1-CD2 3.64Å; I1447-L1461 HydrophobicContact CD1-CG 4.17Å; I1447-L1461 HydrophobicContact CG1-CD2 4.14Å; L1461-V1463 HydrophobicContact CD2-CG2 3.82Å; L1461-V1463 HydrophobicContact CG-CG2 3.85Å |
| 1462 | E | 91.6 | Very high | 81.6 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.7 | 163.8 | -82.6 | 160.1 | -140.9 | 0 | 0 | 108.5 | E1328 Q1329 K1381 N1383 | E1328-E1462 CarbonylContact O-C 3.6Å; E1328-E1462 VanDerWaalsContact O-CA 3.3Å; E1328-E1462 WeakPolarHBondContact O-CA 3.49Å; Q1329-E1462 HydrophobicContact CG-CG 3.5Å; Q1329-E1462 PolarHBondContact NE2-OE1 2.79Å; K1381-E1462 HydrophobicContact CB-CB 3.89Å; K1381-E1462 VanDerWaalsContact CD-OE2 3.28Å; K1381-E1462 WeakPolarHBondContact CD-OE2 3.45Å; K1381-E1462 WeakPolarHBondContact CE-OE2 3.5Å; K1381-E1462 HydrophobicContact CG-CB 4.38Å; K1381-E1462 PolarHBondContact N-O 3.49Å; K1381-E1462 IonicContact NZ-OE1 3.57Å; K1381-E1462 PolarHBondContact NZ-OE1 3.03Å; K1381-E1462 VanDerWaalsContact NZ-OE1 3.15Å; K1381-E1462 IonicContact NZ-OE2 2.92Å; K1381-E1462 PolarHBondContact NZ-OE2 2.7Å; K1381-E1462 PolarHBondContact O-N 3.5Å; N1383-E1462 PolarHBondContact ND2-OE1 2.82Å |
| 1463 | V | 91 | Very high | 80.2 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 118.1 | 176.2 | -176 | 0 | 0 | 0 | 0 | 108.1 | P1325 E1328 M1330 I1357 Y1359 L1461 | P1325-V1463 HydrophobicContact CB-CB 4.2Å; P1325-V1463 HydrophobicContact CB-CG1 3.83Å; P1325-V1463 HydrophobicContact CG-CB 4Å; P1325-V1463 HydrophobicContact CG-CG1 3.88Å; P1325-V1463 WeakPolarHBondContact CG-O 3.48Å; E1328-V1463 PolarHBondContact O-N 3.16Å; M1330-V1463 HydrophobicContact CE-CG2 4.16Å; M1330-V1463 HydrophobicContact SD-CG2 4.45Å; I1357-V1463 HydrophobicContact CD1-CG2 4.1Å; I1357-V1463 HydrophobicContact CG2-CG1 4.02Å; I1357-V1463 HydrophobicContact CG2-CG2 4.17Å; Y1359-V1463 HydrophobicContact CE1-CG1 4.14Å; L1461-V1463 HydrophobicContact CD2-CG2 3.82Å; L1461-V1463 HydrophobicContact CG-CG2 3.85Å |
| 1464 | G | 89.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 161.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1378 R1379 | Q1378-G1464 PolarHBondContact NE2-O 2.89Å; Q1378-G1464 VanDerWaalsContact NE2-O 3.1Å; R1379-G1464 WeakPolarHBondContact O-CA 3.32Å; R1379-G1464 PolarHBondContact O-N 3.33Å |
| 1465 | T | 93 | Very high | 77.7 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 138.7 | 168.2 | 31.6 | 0 | 0 | 0 | 0 | 111.6 | V1323 S1324 | V1323-T1465 WeakPolarHBondContact O-CA 3.43Å; S1324-T1465 VanDerWaalsContact OG-CG2 3.32Å; S1324-T1465 WeakPolarHBondContact OG-CG2 3.04Å |
| 1466 | I | 95 | Very high | 75.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.4 | 168 | 173 | 65.8 | 0 | 0 | 0 | 107.9 | C1322 V1323 Y1359 A1376 Q1378 L1442 P1443 Y1468 | C1322-I1466 CarbonylContact C-O 3.44Å; C1322-I1466 VanDerWaalsContact CA-O 3.3Å; C1322-I1466 WeakPolarHBondContact CA-O 3.26Å; V1323-I1466 HydrophobicContact CB-CG2 4.01Å; V1323-I1466 PolarHBondContact N-O 2.81Å; V1323-I1466 WeakPolarHBondContact O-CG2 3.32Å; V1323-I1466 PolarHBondContact O-N 3.35Å; Y1359-I1466 HydrophobicContact CD1-CG2 3.84Å; Y1359-I1466 HydrophobicContact CE1-CG2 4.03Å; A1376-I1466 HydrophobicContact CB-CD1 4.39Å; Q1378-I1466 HydrophobicContact CB-CD1 3.77Å; Q1378-I1466 HydrophobicContact CG-CB 4.25Å; Q1378-I1466 HydrophobicContact CG-CD1 4.36Å; L1442-I1466 HydrophobicContact CB-CD1 3.69Å; L1442-I1466 HydrophobicContact CD1-CD1 3.81Å; L1442-I1466 HydrophobicContact CG-CD1 4.31Å; P1443-I1466 HydrophobicContact CB-CB 4.22Å; P1443-I1466 HydrophobicContact CB-CG1 4.18Å; P1443-I1466 HydrophobicContact CB-CG2 4.17Å; I1466-Y1468 HydrophobicContact CB-CE2 4.38Å; I1466-Y1468 HydrophobicContact CD1-CE1 4.46Å; I1466-Y1468 HydrophobicContact CD1-CE2 4.43Å; I1466-Y1468 HydrophobicContact CG1-CD2 4.11Å; I1466-Y1468 HydrophobicContact CG1-CE1 4.21Å; I1466-Y1468 HydrophobicContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CZ 3.44Å; I1466-Y1468 WeakPolarHBondContact CG1-OH 3.28Å; I1466-Y1468 HydrophobicContact CG2-CE2 4.09Å |
| 1467 | C | 95.8 | Very high | 73.3 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130 | 179.3 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | E1320 T1321 C1322 A1376 I1377 | E1320-C1467 HydrophobicContact CB-CB 4.2Å; T1321-C1467 WeakPolarHBondContact O-CA 3.19Å; C1322-C1467 HydrophobicContact CB-CB 4.14Å; C1322-C1467 WeakPolarHBondContact CB-SG 3.4Å; C1322-C1467 WeakPolarHBondContact SG-CB 3.28Å; C1322-C1467 CovalentContact SG-SG 2.05Å; C1322-C1467 PolarHBondContact SG-SG 3.17Å; A1376-C1467 WeakPolarHBondContact CA-O 3.1Å; I1377-C1467 PolarHBondContact N-O 2.89Å; I1377-C1467 PolarHBondContact O-N 3.12Å |
| 1468 | Y | 95.7 | Very high | 70.6 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.5 | 179.7 | -68.3 | -78.2 | 0 | 0 | 0 | 110.5 | E1320 T1321 L1366 L1369 Q1370 A1376 P1439 L1442 P1443 I1466 | E1320-Y1468 CarbonylContact C-O 2.86Å; E1320-Y1468 WeakPolarHBondContact CA-O 3.44Å; T1321-Y1468 PolarHBondContact N-O 3Å; T1321-Y1468 PolarHBondContact O-N 3.36Å; L1366-Y1468 HydrophobicContact CD1-CE2 4.03Å; L1366-Y1468 WeakPolarHBondContact CD1-OH 3.48Å; L1369-Y1468 HydrophobicContact CD2-CD2 3.48Å; L1369-Y1468 VanDerWaalsContact CD2-CD2 3.48Å; L1369-Y1468 HydrophobicContact CD2-CE2 4.08Å; L1369-Y1468 HydrophobicContact CD2-CG 4.06Å; L1369-Y1468 HydrophobicContact CG-CD2 3.88Å; L1369-Y1468 HydrophobicContact CG-CG 3.94Å; Q1370-Y1468 HydrophobicContact CG-CE1 3.93Å; A1376-Y1468 HydrophobicContact CB-CD1 3.79Å; A1376-Y1468 HydrophobicContact CB-CE1 3.81Å; P1439-Y1468 HydrophobicContact CB-CD1 4.15Å; P1439-Y1468 HydrophobicContact CB-CE1 4.23Å; L1442-Y1468 PolarHBondContact O-OH 3.41Å; L1442-Y1468 VanDerWaalsContact O-OH 3.05Å; P1443-Y1468 WeakPolarHBondContact CD-OH 3.27Å; I1466-Y1468 HydrophobicContact CB-CE2 4.38Å; I1466-Y1468 HydrophobicContact CD1-CE1 4.46Å; I1466-Y1468 HydrophobicContact CD1-CE2 4.43Å; I1466-Y1468 HydrophobicContact CG1-CD2 4.11Å; I1466-Y1468 HydrophobicContact CG1-CE1 4.21Å; I1466-Y1468 HydrophobicContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CZ 3.44Å; I1466-Y1468 WeakPolarHBondContact CG1-OH 3.28Å; I1466-Y1468 HydrophobicContact CG2-CE2 4.09Å |
| 1469 | G | 86.5 | Confident | 67.9 | Low | 12 Ų | 12 | 55.6 Ų | 55.6 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.8 | -161.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V1375 | V1375-G1469 PolarHBondContact O-N 3.29Å |
| 1470 | G | 66.5 | Low | 65 | Low | 14 Ų | 14 | 60.5 Ų | 60.5 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | trans | 78.3 | 152.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1318 L1319 | G1318-G1470 WeakPolarHBondContact O-CA 3.29Å; L1319-G1470 PolarHBondContact O-N 3.26Å | ||
| 1471 | M | 54 | Low | 62.3 | Low | 78 Ų | 78 | 64.4 Ų | 64.4 | 38% | 0.384 | 34% | 0.344 | S | S | . | . | trans | -88.4 | 148.3 | 173.9 | -68.6 | 171.4 | 170.2 | 0 | 0 | 110.2 | ||||
| 1472 | D | 51 | Low | 59.7 | Low | 32 Ų | 32 | 70.8 Ų | 70.8 | 17% | 0.171 | 38% | 0.378 | C | S | . | . | trans | -53.2 | 135.6 | 174 | -100.2 | -50.2 | 0 | 0 | 0 | 111.8 | K1437 E1474 Q1475 | K1437-D1472 WeakPolarHBondContact CE-OD2 3.32Å; K1437-D1472 IonicContact NZ-OD1 3.26Å; K1437-D1472 IonicContact NZ-OD2 2.67Å; K1437-D1472 PolarHBondContact NZ-OD2 3.44Å; D1472-E1474 PolarHBondContact O-N 3.33Å; D1472-E1474 VanDerWaalsContact O-N 3.08Å; D1472-Q1475 HydrophobicContact CB-CG 4.15Å; D1472-Q1475 WeakPolarHBondContact O-CB 3.28Å; D1472-Q1475 PolarHBondContact O-N 3.17Å | ||
| 1473 | P | 43 | Very low | 56.7 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -57.7 | -22.9 | 172.4 | -26.8 | 35.8 | 0 | 0 | 0 | 114.1 | Q1475 F1476 | P1473-Q1475 VanDerWaalsContact C-N 3.28Å; P1473-Q1475 PolarHBondContact O-N 3.04Å; P1473-F1476 WeakPolarHBondContact O-CB 3.43Å; P1473-F1476 PolarHBondContact O-N 2.65Å |
| 1474 | E | 44.5 | Very low | 53.7 | Low | 163 Ų | 163 | 79.3 Ų | 79.3 | 76% | 0.762 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -70.1 | -22.1 | 173.1 | -61.9 | -167 | 128.4 | 0 | 0 | 113.3 | D1472 F1476 | D1472-E1474 PolarHBondContact O-N 3.33Å; D1472-E1474 VanDerWaalsContact O-N 3.08Å; E1474-F1476 VanDerWaalsContact C-N 3.34Å |
| 1475 | Q | 39 | Very low | 50.9 | Low | 117 Ų | 117 | 85.4 Ų | 85.4 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -84.6 | -6 | 173.4 | -61.2 | -172.9 | 18.8 | 0 | 0 | 113.1 | D1472 P1473 N1477 | D1472-Q1475 HydrophobicContact CB-CG 4.15Å; D1472-Q1475 WeakPolarHBondContact O-CB 3.28Å; D1472-Q1475 PolarHBondContact O-N 3.17Å; P1473-Q1475 VanDerWaalsContact C-N 3.28Å; P1473-Q1475 PolarHBondContact O-N 3.04Å; Q1475-N1477 PolarHBondContact O-N 3.16Å |
| 1476 | F | 33.1 | Very low | 47.8 | Very low | 132 Ų | 132 | 87.3 Ų | 87.3 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | trans | -75.2 | 39.4 | -178.4 | -112.9 | -91.8 | 0 | 0 | 0 | 114.5 | P1473 E1474 I1478 I1481 | P1473-F1476 WeakPolarHBondContact O-CB 3.43Å; P1473-F1476 PolarHBondContact O-N 2.65Å; E1474-F1476 VanDerWaalsContact C-N 3.34Å; F1476-I1478 PolarHBondContact O-N 3.01Å; F1476-I1481 HydrophobicContact CE1-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CD1 4.41Å; F1476-I1481 HydrophobicContact CZ-CD1 3.56Å | ||
| 1477 | N | 27.3 | Very low | 44.6 | Very low | 137 Ų | 137 | 94.9 Ų | 94.9 | 73% | 0.733 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -93.8 | 63.9 | 166.6 | -98.1 | -53.9 | 0 | 0 | 0 | 111.6 | Q1475 | Q1475-N1477 PolarHBondContact O-N 3.16Š|
| 1478 | I | 30.5 | Very low | 41.6 | Very low | 157 Ų | 157 | 103.7 Ų | 103.7 | 81% | 0.805 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 52.8 | 69.7 | 154 | -39.6 | 175.8 | 0 | 0 | 0 | 115.9 | F1476 | F1476-I1478 PolarHBondContact O-N 3.01Š|
| 1479 | T | 29.5 | Very low | 38.4 | Very low | 82 Ų | 82 | 108.6 Ų | 108.6 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -144.4 | -46.7 | 157 | 30.9 | 0 | 0 | 0 | 0 | 115.1 | I1481 N1483 | T1479-I1481 PolarHBondContact O-N 3.23Å; T1479-N1483 PolarHBondContact O-ND2 3.26Å; T1479-N1483 VanDerWaalsContact O-ND2 3.07Å | ||
| 1480 | D | 28.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 57% | 0.572 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 20.2 | -149.5 | -59.7 | -62.9 | 0 | 0 | 0 | 118.1 | ||
| 1481 | I | 34.3 | Very low | 33.8 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 55% | 0.554 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -19.2 | 166.4 | -67.2 | -176.1 | 0 | 0 | 0 | 112.8 | F1476 T1479 | F1476-I1481 HydrophobicContact CE1-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CD1 4.41Å; F1476-I1481 HydrophobicContact CZ-CD1 3.56Å; T1479-I1481 PolarHBondContact O-N 3.23Å |
| 1482 | D | 33.9 | Very low | 32.7 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -97.4 | -0.2 | 175.4 | -86.3 | -48 | 0 | 0 | 0 | 114 | ||
| 1483 | N | 29.8 | Very low | 31.7 | Very low | 90 Ų | 90 | 129 Ų | 129 | 48% | 0.481 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | 0.7 | -170.6 | -90.5 | -28.9 | 0 | 0 | 0 | 116.7 | T1479 | T1479-N1483 PolarHBondContact O-ND2 3.26Å; T1479-N1483 VanDerWaalsContact O-ND2 3.07Å |
| 1484 | N | 27.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 0.2 | 167.2 | -108.5 | -6.5 | 0 | 0 | 0 | 114 | ||
| 1485 | N | 30.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -107.5 | 26.9 | 171.7 | -102.4 | -34.3 | 0 | 0 | 0 | 112.8 | ||
| 1486 | N | 29.1 | Very low | 29.5 | Very low | 88 Ų | 88 | 137 Ų | 137 | 47% | 0.471 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -143.1 | 46.2 | 179.6 | -98.5 | -59.3 | 0 | 0 | 0 | 115 | N1490 | N1486-N1490 PolarHBondContact OD1-ND2 3.26Š|
| 1487 | N | 27.5 | Very low | 29.1 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | -142.7 | 33.5 | 154.7 | -103.9 | -40.2 | 0 | 0 | 0 | 115.1 | ||||
| 1488 | H | 31.5 | Very low | 29.1 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 88% | 0.884 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -100.4 | 81.7 | 150.9 | -123.6 | 46.3 | 0 | 0 | 0 | 109.7 | ||
| 1489 | S | 28.6 | Very low | 29 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | 37.8 | 79.9 | 158.5 | -62.5 | 0 | 0 | 0 | 0 | 117.6 | N1491 | S1489-N1491 VanDerWaalsContact C-N 3.35Å; S1489-N1491 PolarHBondContact O-N 2.95Å | ||
| 1490 | N | 29.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -64.1 | 92.6 | 159.7 | -101 | -58.4 | 0 | 0 | 0 | 110.7 | N1486 | N1486-N1490 PolarHBondContact OD1-ND2 3.26Š| ||
| 1491 | N | 27.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -161.5 | 66.7 | 144.7 | -113.2 | -14 | 0 | 0 | 0 | 114.5 | S1489 | S1489-N1491 VanDerWaalsContact C-N 3.35Å; S1489-N1491 PolarHBondContact O-N 2.95Å | ||
| 1492 | I | 30 | Very low | 29 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -123.7 | 91.5 | 133 | -58.1 | -176.6 | 0 | 0 | 0 | 107.8 | ||
| 1493 | N | 30.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | 32.2 | 113.4 | 142.7 | -65.4 | 1.8 | 0 | 0 | 0 | 119 | ||||
| 1494 | K | 24.5 | Very low | 28.6 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | trans | -56 | 154 | 130.6 | -53.4 | 175.6 | 180 | 176.2 | 0 | 108 | ||||
| 1495 | E | 26.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | cis | -127.4 | 163.4 | 22.2 | -59.8 | 169 | 137.7 | 0 | 0 | 108.4 | ||||
| 1496 | D | 29.1 | Very low | 28.6 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | -145.1 | 143.5 | 70.5 | -133.1 | -29.8 | 0 | 0 | 0 | 113.8 | |||||
| 1497 | S | 25.1 | Very low | 28.6 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -137 | 104.6 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1498 | S | 28.3 | Very low | 28.7 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -170.3 | 131.1 | 141.5 | 45.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1499 | N | 28.3 | Very low | 28.3 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | trans | 44.9 | 113.3 | 136.8 | -53.8 | -15.9 | 0 | 0 | 0 | 120.7 | ||||
| 1500 | H | 31.4 | Very low | 28.4 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | -159.7 | 158.9 | 106.6 | -111.3 | 75.9 | 0 | 0 | 0 | 114 | |||||
| 1501 | N | 27.8 | Very low | 28.2 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 36% | 0.358 | 72% | 0.716 | S | S | . | * | trans | 173.1 | 165.7 | -166.6 | -109.3 | -23.2 | 0 | 0 | 0 | 112.1 | G1042 P1043 T1044 | G1042-N1501 VanDerWaalsContact C-CB 3.41Å; G1042-N1501 VanDerWaalsContact CA-CG 3.42Å; G1042-N1501 WeakPolarHBondContact CA-OD1 3.44Å; G1042-N1501 PolarHBondContact N-OD1 3.12Å; G1042-N1501 CarbonylContact O-C 3.29Å; G1042-N1501 WeakPolarHBondContact O-CB 3.23Å; P1043-N1501 WeakPolarHBondContact O-CB 3.44Å; T1044-N1501 WeakPolarHBondContact CA-O 3.47Å; T1044-N1501 WeakPolarHBondContact CB-O 3.43Å; T1044-N1501 PolarHBondContact OG1-O 2.87Å | ||
| 1502 | I | 30.8 | Very low | 28.2 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 57% | 0.574 | 72% | 0.721 | S | S | * | * | trans | -166.5 | 94.3 | 162.4 | -175.6 | 159.8 | 0 | 0 | 0 | 117 | V1041 G1042 | V1041-I1502 HydrophobicContact CG1-CG2 4Å; V1041-I1502 CarbonylContact O-C 3.45Å; G1042-I1502 CarbonylContact O-C 3.51Å; G1042-I1502 VanDerWaalsContact O-C 3.24Å; G1042-I1502 WeakPolarHBondContact O-CA 3.33Å; G1042-I1502 PolarHBondContact O-N 2.9Å | ||
| 1503 | Y | 28.8 | Very low | 28 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | trans | 53.9 | 130.6 | 160.4 | -77.7 | -114.4 | 0 | 0 | 0 | 121.1 | V1041 G1042 | V1041-Y1503 CarbonylContact O-C 2.73Å; V1041-Y1503 WeakPolarHBondContact O-CA 2.95Å; V1041-Y1503 PolarHBondContact O-N 3.32Å; V1041-Y1503 VanDerWaalsContact O-O 3.09Å; G1042-Y1503 PolarHBondContact O-N 3.32Å | ||
| 1504 | D | 27.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 61% | 0.61 | 71% | 0.711 | S | S | * | * | 79.1 | 146.2 | 65.2 | -129.9 | -11 | 0 | 0 | 0 | 113 | V1041 V1506 | V1041-D1504 PolarHBondContact O-N 2.96Å; D1504-V1506 PolarHBondContact OD1-N 3.5Å; D1504-V1506 VanDerWaalsContact OD1-N 3.17Å | |||
| 1505 | P | 33.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | -146.2 | 143.4 | 63.9 | 38.9 | -18.9 | 0 | 0 | 0 | 118.8 | |||||
| 1506 | V | 25.8 | Very low | 27.8 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 70% | 0.697 | 70% | 0.696 | S | S | * | * | 55.9 | 112.8 | 129.3 | -176.6 | 0 | 0 | 0 | 0 | 120 | D1504 | D1504-V1506 PolarHBondContact OD1-N 3.5Å; D1504-V1506 VanDerWaalsContact OD1-N 3.17Å | |||
| 1507 | E | 28.2 | Very low | 27.7 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | -145.2 | 164.3 | 111.3 | -128.6 | 177.1 | -166.3 | 0 | 0 | 111.8 | |||||
| 1508 | H | 29.5 | Very low | 27.6 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -41.1 | 126 | -153.7 | -78 | -81.9 | 0 | 0 | 0 | 120.7 | ||||
| 1509 | K | 24.2 | Very low | 27.5 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -73.8 | 139.9 | 136.5 | -66.7 | 179.6 | 179 | 179.7 | 0 | 109.4 | ||||
| 1510 | S | 29.9 | Very low | 27.4 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -105.9 | 145.9 | 146.4 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1511 | N | 25.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -87.5 | 129.1 | -178.9 | -61.9 | -48.8 | 0 | 0 | 0 | 109.7 | E1513 | N1511-E1513 VanDerWaalsContact C-N 3.31Å; N1511-E1513 PolarHBondContact O-N 3.42Å; N1511-E1513 VanDerWaalsContact O-N 3.09Å | ||
| 1512 | I | 27.4 | Very low | 27.2 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | trans | -72.9 | 96.3 | 152.1 | -62.7 | 177.3 | 0 | 0 | 0 | 105.9 | V1514 | I1512-V1514 PolarHBondContact O-N 3.12Š| ||
| 1513 | E | 26.3 | Very low | 26.9 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 59% | 0.593 | 74% | 0.739 | S | S | * | * | trans | -63.9 | 104.6 | 166.3 | -83.7 | -169.2 | 106.9 | 0 | 0 | 108.8 | N1511 K1515 | N1511-E1513 VanDerWaalsContact C-N 3.31Å; N1511-E1513 PolarHBondContact O-N 3.42Å; N1511-E1513 VanDerWaalsContact O-N 3.09Å; E1513-K1515 HydrophobicContact CB-CD 4.42Å; E1513-K1515 HydrophobicContact CB-CG 4.26Å; E1513-K1515 PolarHBondContact O-N 2.85Å; E1513-K1515 VanDerWaalsContact OE1-CE 3.25Å; E1513-K1515 WeakPolarHBondContact OE1-CE 3.23Å; E1513-K1515 IonicContact OE1-NZ 3.58Å; E1513-K1515 PolarHBondContact OE1-NZ 3.38Å; E1513-K1515 VanDerWaalsContact OE2-CE 3.23Å; E1513-K1515 WeakPolarHBondContact OE2-CE 3.42Å; E1513-K1515 IonicContact OE2-NZ 2.63Å; E1513-K1515 PolarHBondContact OE2-NZ 3.28Å | ||
| 1514 | V | 26 | Very low | 27 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | -70.4 | 75.8 | 158.3 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | I1512 K1516 | I1512-V1514 PolarHBondContact O-N 3.12Å; V1514-K1516 VanDerWaalsContact C-N 3.25Å; V1514-K1516 PolarHBondContact O-N 2.61Å | ||
| 1515 | K | 27 | Very low | 27 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 57% | 0.57 | 75% | 0.752 | S | S | * | * | trans | -67.2 | 87 | 173.8 | -104.1 | 165.9 | 174.6 | 150.8 | 0 | 108.5 | E1513 F1517 | E1513-K1515 HydrophobicContact CB-CD 4.42Å; E1513-K1515 HydrophobicContact CB-CG 4.26Å; E1513-K1515 PolarHBondContact O-N 2.85Å; E1513-K1515 VanDerWaalsContact OE1-CE 3.25Å; E1513-K1515 WeakPolarHBondContact OE1-CE 3.23Å; E1513-K1515 IonicContact OE1-NZ 3.58Å; E1513-K1515 PolarHBondContact OE1-NZ 3.38Å; E1513-K1515 VanDerWaalsContact OE2-CE 3.23Å; E1513-K1515 WeakPolarHBondContact OE2-CE 3.42Å; E1513-K1515 IonicContact OE2-NZ 2.63Å; E1513-K1515 PolarHBondContact OE2-NZ 3.28Å; K1515-F1517 VanDerWaalsContact C-N 3.31Å; K1515-F1517 PolarHBondContact O-N 3.05Å | ||
| 1516 | K | 24.6 | Very low | 27.1 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -57.7 | 93.9 | 167.8 | -74.7 | -172 | 173 | -173.3 | 0 | 109.3 | V1514 N1518 | V1514-K1516 VanDerWaalsContact C-N 3.25Å; V1514-K1516 PolarHBondContact O-N 2.61Å; K1516-N1518 PolarHBondContact O-N 3.38Å | ||
| 1517 | F | 24.9 | Very low | 27.4 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | -69.9 | 87.3 | 162.3 | -88.6 | -83 | 0 | 0 | 0 | 108.8 | K1515 F1519 | K1515-F1517 VanDerWaalsContact C-N 3.31Å; K1515-F1517 PolarHBondContact O-N 3.05Å; F1517-F1519 VanDerWaalsContact C-N 3.34Å; F1517-F1519 PolarHBondContact O-N 3.31Å | ||
| 1518 | N | 23.8 | Very low | 27.7 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -59.2 | 99.8 | 161 | -86.3 | -12.2 | 0 | 0 | 0 | 108 | K1516 N1520 | K1516-N1518 PolarHBondContact O-N 3.38Å; N1518-N1520 PolarHBondContact O-N 2.8Å | ||
| 1519 | F | 25.8 | Very low | 27.8 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -68.5 | 77.3 | 160.9 | -94.2 | -81 | 0 | 0 | 0 | 109.2 | F1517 V1521 | F1517-F1519 VanDerWaalsContact C-N 3.34Å; F1517-F1519 PolarHBondContact O-N 3.31Å; F1519-V1521 PolarHBondContact O-N 3.13Å; F1519-V1521 VanDerWaalsContact O-N 3.12Å | ||
| 1520 | N | 27.1 | Very low | 28 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | -60.1 | 112.9 | 161.6 | -97 | -20.8 | 0 | 0 | 0 | 107.5 | N1518 M1522 | N1518-N1520 PolarHBondContact O-N 2.8Å; N1520-M1522 PolarHBondContact O-N 3.39Å | ||
| 1521 | V | 25.3 | Very low | 27.9 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -70.8 | 77.4 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | F1519 N1523 | F1519-V1521 PolarHBondContact O-N 3.13Å; F1519-V1521 VanDerWaalsContact O-N 3.12Å; V1521-N1523 HydrophobicContact CG1-CB 4.49Å; V1521-N1523 PolarHBondContact O-N 3.3Å | ||
| 1522 | M | 28.6 | Very low | 27.9 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -72.5 | 75.1 | 165.7 | -83.9 | -72.4 | -162.8 | 0 | 0 | 108.7 | N1520 N1524 | N1520-M1522 PolarHBondContact O-N 3.39Å; M1522-N1524 PolarHBondContact O-N 3.49Å; M1522-N1524 VanDerWaalsContact O-N 3.09Å | ||
| 1523 | N | 24.8 | Very low | 28 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | -60.4 | 108.6 | 173.2 | 178.4 | 11 | 0 | 0 | 0 | 109.8 | V1521 | V1521-N1523 HydrophobicContact CG1-CB 4.49Å; V1521-N1523 PolarHBondContact O-N 3.3Å | ||
| 1524 | N | 31.2 | Very low | 28.1 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -149.2 | 131.3 | 166.8 | -131.2 | -17.7 | 0 | 0 | 0 | 111.9 | M1522 | M1522-N1524 PolarHBondContact O-N 3.49Å; M1522-N1524 VanDerWaalsContact O-N 3.09Å | ||
| 1525 | N | 29.3 | Very low | 28 | Very low | 127 Ų | 127 | 152 Ų | 152 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -80.3 | 143.6 | -174.6 | -57.2 | -89.3 | 0 | 0 | 0 | 111.1 | ||||
| 1526 | N | 34.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -172.1 | 152.6 | 114.1 | -96 | -41.2 | 0 | 0 | 0 | 113.4 | |||||
| 1527 | N | 32.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -62.3 | 156.4 | 171.3 | -45.3 | -59.5 | 0 | 0 | 0 | 109.8 | ||||
| 1528 | N | 33.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | -168.4 | 173.4 | 55 | -127.9 | -23.3 | 0 | 0 | 0 | 113.8 | |||||
| 1529 | N | 31 | Very low | 28.4 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -59.2 | 154.9 | -172.7 | -61.3 | -23.1 | 0 | 0 | 0 | 117.2 | ||||
| 1530 | N | 29.5 | Very low | 28.5 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | 57 | 104.6 | 151.8 | -61.4 | 2 | 0 | 0 | 0 | 118.6 | ||||
| 1531 | N | 28 | Very low | 28.5 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | -170.3 | 163.9 | 112.9 | -101.4 | -45.6 | 0 | 0 | 0 | 113.5 | I1533 | N1531-I1533 PolarHBondContact O-N 2.75Š| |||
| 1532 | N | 25.6 | Very low | 28.7 | Very low | 152 Ų | 152 | 155.3 Ų | 155.3 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -36.2 | 126.9 | 172.6 | -56.2 | -45.2 | 0 | 0 | 0 | 114.6 | ||||
| 1533 | I | 29.8 | Very low | 28.7 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -121 | 110.8 | 152.6 | -63.9 | -177.3 | 0 | 0 | 0 | 107.7 | N1531 | N1531-I1533 PolarHBondContact O-N 2.75Š| ||
| 1534 | R | 27.5 | Very low | 28.9 | Very low | 228 Ų | 228 | 155.6 Ų | 155.6 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 142.6 | 162.9 | -80.1 | 177.7 | 166.2 | 177.3 | -6.4 | 108.7 | ||||
| 1535 | L | 24.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | -1.3 | 120.3 | 154.4 | -61.3 | 167.7 | 0 | 0 | 0 | 116 | ||||
| 1536 | V | 28.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 157.7 Ų | 157.7 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -115.8 | 110.1 | 137.7 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1537 | S | 24.9 | Very low | 28.4 | Very low | 104 Ų | 104 | 158.1 Ų | 158.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -84.4 | 125.5 | 170.1 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1538 | E | 26.3 | Very low | 28 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -144.2 | 133.3 | 155.8 | -117.4 | 170.8 | -148.2 | 0 | 0 | 108.3 | ||||
| 1539 | P | 27.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 160.3 Ų | 160.3 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | trans | -92 | 145 | -168.7 | 35.2 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 1540 | F | 27.2 | Very low | 27.3 | Very low | 289 Ų | 289 | 162.5 Ų | 162.5 | 100% | 1.268 | 83% | 0.832 | S | S | * | * | trans | -152.8 | 0 | 162 | -97.9 | -72 | 0 | 0 | 0 | 110.5 |
Retrieved 1,540 of 1,540 residues in 1142.5 ms
(Link to these results)