| 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 | 45.8 | Very low | 48.3 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 100% | 1.222 | 81% | 0.814 | S | S | * | * | 0 | 135.5 | 0 | -82.8 | 169 | 149.5 | 0 | 0 | 107.8 | |||||
| 2 | E | 50.1 | Low | 48.2 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 63% | 0.626 | 82% | 0.819 | S | S | * | * | trans | -72 | 170.6 | 162.8 | -52.3 | -171.2 | 97.5 | 0 | 0 | 110.4 | R4 | E2-R4 HydrophobicContact CB-CG 4.28Å; E2-R4 IonicContact OE2-CZ 3.93Å; E2-R4 IonicContact OE2-NE 3.07Å; E2-R4 PolarHBondContact OE2-NE 3.36Å; E2-R4 IonicContact OE2-NH2 3.88Å | ||
| 3 | P | 55.5 | Low | 47.6 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -118.9 | 149.9 | 73.9 | 2.3 | 20.9 | 0 | 0 | 0 | 112.3 | |||||
| 4 | R | 46.3 | Very low | 47.9 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | 60.6 | 133.3 | 57.7 | -62.5 | -168.6 | -176.1 | -165.6 | -0 | 113.2 | E2 | E2-R4 HydrophobicContact CB-CG 4.28Å; E2-R4 IonicContact OE2-CZ 3.93Å; E2-R4 IonicContact OE2-NE 3.07Å; E2-R4 PolarHBondContact OE2-NE 3.36Å; E2-R4 IonicContact OE2-NH2 3.88Å | |||
| 5 | T | 49.8 | Very low | 47.7 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | cis | -153 | 159.1 | 7 | -38.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 6 | G | 45.3 | Very low | 47.2 | Very low | 80 Ų | 80 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -173.9 | 60.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | D | 43.2 | Very low | 46.7 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -71.8 | 135.2 | 175 | -175.2 | -87.3 | 0 | 0 | 0 | 112 | ||||
| 8 | A | 47.3 | Very low | 46.7 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -169.7 | 128.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | A | 47.9 | Very low | 46.2 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -96.3 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 10 | D | 48.4 | Very low | 46.1 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | 92.9 | 111.4 | 162.2 | -150.6 | -96.6 | 0 | 0 | 0 | 119.1 | R12 | D10-R12 VanDerWaalsContact C-N 3.29Å; D10-R12 PolarHBondContact O-N 2.66Å; D10-R12 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 11 | P | 51.7 | Low | 46.1 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -82.4 | 70 | 174.5 | 35.4 | -34.3 | 0 | 0 | 0 | 111.1 | G13 | P11-G13 PolarHBondContact O-N 3.17Š| ||
| 12 | R | 47.6 | Very low | 46 | Very low | 230 Ų | 230 | 131.2 Ų | 131.2 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -80.5 | 106.9 | -172.6 | -145.9 | 174.1 | -167.7 | -106.4 | 3 | 113.6 | D10 | D10-R12 VanDerWaalsContact C-N 3.29Å; D10-R12 PolarHBondContact O-N 2.66Å; D10-R12 WeakPolarHBondContact OD1-CB 3.21Å | ||
| 13 | G | 40 | Very low | 45.8 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 101.7 | 103.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P11 R15 | P11-G13 PolarHBondContact O-N 3.17Å; G13-R15 PolarHBondContact O-N 3.05Å | ||
| 14 | S | 51.3 | Low | 45.3 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -39.9 | 108.5 | 159 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 15 | R | 45.3 | Very low | 45.8 | Very low | 251 Ų | 251 | 125.5 Ų | 125.5 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | trans | -100.3 | 77.8 | 155.2 | -150.2 | 173.4 | -163.6 | -176.1 | 4.7 | 108.6 | G13 G17 | G13-R15 PolarHBondContact O-N 3.05Å; R15-G17 PolarHBondContact O-N 3.32Å | ||
| 16 | G | 39.1 | Very low | 45.8 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -51.3 | 133.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R18 | G16-R18 PolarHBondContact O-N 2.74Š| ||
| 17 | G | 40.3 | Very low | 46.7 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -58.8 | 132 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R15 G19 | R15-G17 PolarHBondContact O-N 3.32Å; G17-G19 PolarHBondContact O-N 2.82Å | ||
| 18 | R | 45.8 | Very low | 46.8 | Very low | 255 Ų | 255 | 117 Ų | 117 | 96% | 0.962 | 74% | 0.743 | S | S | * | * | trans | -69.4 | 75.1 | 158.8 | -83.6 | -171.1 | 172 | -150.7 | 0.2 | 108.9 | G16 | G16-R18 PolarHBondContact O-N 2.74Š| ||
| 19 | G | 37.8 | Very low | 46.8 | Very low | 52 Ų | 52 | 122.8 Ų | 122.8 | 54% | 0.536 | 74% | 0.744 | S | S | . | * | trans | -64.6 | 138 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G17 S21 | G17-G19 PolarHBondContact O-N 2.82Å; G19-S21 PolarHBondContact O-N 3.34Å | ||
| 20 | P | 43 | Very low | 47.1 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -64.2 | 108.3 | 165.9 | 26.9 | -31.2 | 0 | 0 | 0 | 107.5 | ||||
| 21 | S | 45.9 | Very low | 47 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -53.7 | 142.9 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | G19 L23 | G19-S21 PolarHBondContact O-N 3.34Å; S21-L23 PolarHBondContact O-N 3.22Å | ||
| 22 | P | 45.5 | Very low | 46.9 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -56.5 | 141.1 | -171.6 | -24.5 | 33.5 | 0 | 0 | 0 | 111.8 | A24 | P22-A24 PolarHBondContact O-N 3.45Š| ||
| 23 | L | 44.2 | Very low | 46.9 | Very low | 177 Ų | 177 | 113.6 Ų | 113.6 | 93% | 0.927 | 70% | 0.696 | S | S | * | * | trans | -45.1 | 109.4 | 164.6 | -75.6 | 153.3 | 0 | 0 | 0 | 108.4 | S21 G25 | S21-L23 PolarHBondContact O-N 3.22Å; L23-G25 PolarHBondContact O-N 3.25Å | ||
| 24 | A | 45.5 | Very low | 47.2 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -60.6 | 106.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P22 | P22-A24 PolarHBondContact O-N 3.45Š| ||
| 25 | G | 56.1 | Low | 46.9 | Very low | 57 Ų | 57 | 118.6 Ų | 118.6 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109 | L23 S27 | L23-G25 PolarHBondContact O-N 3.25Å; G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.1Å |
| 26 | P | 51.8 | Low | 47.2 | Very low | 48 Ų | 48 | 113.6 Ų | 113.6 | 31% | 0.312 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -51 | 125.4 | -179.2 | 20.7 | -32.6 | 0 | 0 | 0 | 109.3 | Q30 L31 | P26-Q30 HydrophobicContact CB-CB 4.07Å; P26-Q30 HydrophobicContact CB-CG 4.2Å; P26-L31 HydrophobicContact CB-CD2 4.47Å; P26-L31 HydrophobicContact CB-CG 4.24Å; P26-L31 HydrophobicContact CG-CD2 3.77Å; P26-L31 HydrophobicContact CG-CG 3.93Å; P26-L31 WeakPolarHBondContact O-CD1 3.45Å |
| 27 | S | 62.5 | Low | 47.6 | Very low | 75 Ų | 75 | 114.1 Ų | 114.1 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 151.8 | 180 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | G25 R29 Q30 L31 | G25-S27 PolarHBondContact O-N 3.26Å; G25-S27 VanDerWaalsContact O-N 3.1Å; S27-R29 PolarHBondContact O-N 2.82Å; S27-Q30 CarbonylContact O-C 3.52Å; S27-Q30 WeakPolarHBondContact O-CA 3.18Å; S27-Q30 WeakPolarHBondContact O-CB 2.83Å; S27-Q30 PolarHBondContact O-N 3.27Å; S27-L31 PolarHBondContact O-N 2.95Å |
| 28 | A | 45.3 | Very low | 48.1 | Very low | 70 Ų | 70 | 121 Ų | 121 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -49.4 | -33 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L31 L32 | A28-L31 PolarHBondContact O-N 3.02Å; A28-L32 WeakPolarHBondContact O-CD1 3.4Å; A28-L32 PolarHBondContact O-N 2.9Å |
| 29 | R | 48.4 | Very low | 48.4 | Very low | 217 Ų | 217 | 113.3 Ų | 113.3 | 82% | 0.819 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.4 | -35.5 | 173 | -69.5 | -177.3 | 169.5 | 179.8 | -4.1 | 114.1 | S27 A33 | S27-R29 PolarHBondContact O-N 2.82Å; R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.33Å |
| 30 | Q | 53.6 | Low | 48.7 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -83.1 | -20.5 | 177.7 | -160.5 | 169.5 | 28.1 | 0 | 0 | 112.7 | P26 S27 R34 | P26-Q30 HydrophobicContact CB-CB 4.07Å; P26-Q30 HydrophobicContact CB-CG 4.2Å; S27-Q30 CarbonylContact O-C 3.52Å; S27-Q30 WeakPolarHBondContact O-CA 3.18Å; S27-Q30 WeakPolarHBondContact O-CB 2.83Å; S27-Q30 PolarHBondContact O-N 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.33Å; Q30-R34 PolarHBondContact O-N 2.76Å |
| 31 | L | 47.5 | Very low | 48.9 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -74 | -44.8 | 163.1 | -75.6 | 169.2 | 0 | 0 | 0 | 111.3 | P26 S27 A28 A33 R34 L35 | P26-L31 HydrophobicContact CB-CD2 4.47Å; P26-L31 HydrophobicContact CB-CG 4.24Å; P26-L31 HydrophobicContact CG-CD2 3.77Å; P26-L31 HydrophobicContact CG-CG 3.93Å; P26-L31 WeakPolarHBondContact O-CD1 3.45Å; S27-L31 PolarHBondContact O-N 2.95Å; A28-L31 PolarHBondContact O-N 3.02Å; L31-A33 PolarHBondContact O-N 3.47Å; L31-R34 PolarHBondContact O-N 3.07Å; L31-L35 WeakPolarHBondContact O-CG 3.1Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-L35 VanDerWaalsContact O-N 3.16Å |
| 32 | L | 48 | Very low | 48.8 | Very low | 114 Ų | 114 | 112 Ų | 112 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -54.4 | -51.3 | 171.2 | -104.8 | 68.5 | 0 | 0 | 0 | 111.3 | A28 R34 L35 D36 | A28-L32 WeakPolarHBondContact O-CD1 3.4Å; A28-L32 PolarHBondContact O-N 2.9Å; L32-R34 PolarHBondContact O-N 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.85Å; L32-D36 PolarHBondContact O-N 3.22Å |
| 33 | A | 47.5 | Very low | 48.6 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.7 | -11.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R29 L31 | R29-A33 WeakPolarHBondContact O-CB 3.27Å; R29-A33 PolarHBondContact O-N 3.33Å; L31-A33 PolarHBondContact O-N 3.47Å |
| 34 | R | 47.4 | Very low | 48.9 | Very low | 171 Ų | 171 | 109 Ų | 109 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -95.8 | -17 | 171.1 | -78.2 | 178.5 | 169.9 | -166.5 | -1.6 | 113.3 | Q30 L31 L32 | Q30-R34 WeakPolarHBondContact O-CG 3.33Å; Q30-R34 PolarHBondContact O-N 2.76Å; L31-R34 PolarHBondContact O-N 3.07Å; L32-R34 PolarHBondContact O-N 3.48Å |
| 35 | L | 44.7 | Very low | 48.8 | Very low | 128 Ų | 128 | 105.1 Ų | 105.1 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -83.2 | -24.1 | 177.5 | -69.3 | 168.9 | 0 | 0 | 0 | 112.6 | L31 L32 A37 | L31-L35 WeakPolarHBondContact O-CG 3.1Å; L31-L35 PolarHBondContact O-N 2.93Å; L31-L35 VanDerWaalsContact O-N 3.16Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.85Å; L35-A37 PolarHBondContact O-N 3.49Å |
| 36 | D | 51.7 | Low | 48.2 | Very low | 147 Ų | 147 | 106.4 Ų | 106.4 | 79% | 0.786 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -13.3 | 175.3 | -74.1 | -52.1 | 0 | 0 | 0 | 114.6 | L32 | L32-D36 PolarHBondContact O-N 3.22Š|
| 37 | A | 47.7 | Very low | 48.1 | Very low | 77 Ų | 77 | 108.9 Ų | 108.9 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 3.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L35 | L35-A37 PolarHBondContact O-N 3.49Š|
| 38 | R | 50.6 | Low | 47.1 | Very low | 221 Ų | 221 | 109.5 Ų | 109.5 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -138.4 | 93 | 173.5 | -71.2 | -164.4 | 174.3 | -161 | -2.5 | 110.2 | ||
| 39 | P | 51.8 | Low | 47 | Very low | 95 Ų | 95 | 107.5 Ų | 107.5 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | trans | -77.2 | 149 | -154.3 | 29.2 | -36.5 | 0 | 0 | 0 | 113.7 | A41 A42 | P39-A41 HydrophobicContact CB-CB 3.96Å; P39-A41 HydrophobicContact CG-CB 4.02Å; P39-A41 PolarHBondContact O-N 2.87Å; P39-A42 PolarHBondContact O-N 3.11Å | ||
| 40 | L | 44.4 | Very low | 47 | Very low | 145 Ų | 145 | 99 Ų | 99 | 76% | 0.759 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -11.4 | 165.5 | -73.4 | 87.3 | 0 | 0 | 0 | 113.3 | A42 R43 A44 | L40-A42 PolarHBondContact O-N 3.48Å; L40-R43 PolarHBondContact O-N 2.98Å; L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.79Å |
| 41 | A | 47 | Very low | 46.8 | Very low | 40 Ų | 40 | 99.4 Ų | 99.4 | 33% | 0.331 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -50.1 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P39 R43 A45 | P39-A41 HydrophobicContact CB-CB 3.96Å; P39-A41 HydrophobicContact CG-CB 4.02Å; P39-A41 PolarHBondContact O-N 2.87Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.03Å; A41-A45 WeakPolarHBondContact O-CB 3.27Å; A41-A45 PolarHBondContact O-N 3.33Å |
| 42 | A | 42.9 | Very low | 46.9 | Very low | 77 Ų | 77 | 98.3 Ų | 98.3 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.8 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P39 L40 | P39-A42 PolarHBondContact O-N 3.11Å; L40-A42 PolarHBondContact O-N 3.48Å |
| 43 | R | 42.4 | Very low | 46.5 | Very low | 197 Ų | 197 | 101.1 Ų | 101.1 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82.9 | -47.9 | 176.7 | -152.2 | 79.4 | 169.4 | -151.7 | -2.8 | 110.3 | L40 A41 A45 V46 D47 | L40-R43 PolarHBondContact O-N 2.98Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 PolarHBondContact O-N 3.03Å; R43-A45 PolarHBondContact O-N 3.21Å; R43-V46 WeakPolarHBondContact O-CB 3.5Å; R43-V46 PolarHBondContact O-N 3.48Å; R43-D47 PolarHBondContact O-N 2.73Å |
| 44 | A | 50.4 | Low | 46.3 | Very low | 39 Ų | 39 | 108.7 Ų | 108.7 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.2 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L40 V46 D47 V48 | L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.79Å; A44-V46 VanDerWaalsContact C-N 3.34Å; A44-V46 PolarHBondContact O-N 3.26Å; A44-D47 PolarHBondContact O-N 2.81Å; A44-V48 WeakPolarHBondContact O-CB 3.32Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 2.88Å; A44-V48 PolarHBondContact O-N 3.46Å |
| 45 | A | 43.6 | Very low | 46.2 | Very low | 18 Ų | 18 | 103 Ų | 103 | 15% | 0.149 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -61.8 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A41 R43 A49 V94 | A41-A45 WeakPolarHBondContact O-CB 3.27Å; A41-A45 PolarHBondContact O-N 3.33Å; R43-A45 PolarHBondContact O-N 3.21Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 3.35Å; A45-V94 HydrophobicContact CB-CB 4.49Å; A45-V94 HydrophobicContact CB-CG1 3.73Å; A45-V94 HydrophobicContact CB-CG2 4.3Å |
| 46 | V | 42.8 | Very low | 45.7 | Very low | 85 Ų | 85 | 99.6 Ų | 99.6 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -41 | 177.1 | 174 | 0 | 0 | 0 | 0 | 110.6 | R43 A44 A49 A50 | R43-V46 WeakPolarHBondContact O-CB 3.5Å; R43-V46 PolarHBondContact O-N 3.48Å; A44-V46 VanDerWaalsContact C-N 3.34Å; A44-V46 PolarHBondContact O-N 3.26Å; V46-A49 PolarHBondContact O-N 3.01Å; V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.43Å |
| 47 | D | 49.2 | Very low | 45.2 | Very low | 99 Ų | 99 | 96.6 Ų | 96.6 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74 | -38.3 | 179.7 | -65.9 | -38.5 | 0 | 0 | 0 | 112.4 | R43 A44 A50 L51 | R43-D47 PolarHBondContact O-N 2.73Å; A44-D47 PolarHBondContact O-N 2.81Å; D47-A50 CarbonylContact O-C 3.6Å; D47-A50 PolarHBondContact O-N 3.31Å; D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 2.97Å |
| 48 | V | 43.1 | Very low | 44.9 | Very low | 88 Ų | 88 | 97.8 Ų | 97.8 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 169.9 | 171 | 0 | 0 | 0 | 0 | 110.3 | A44 A50 L51 V52 | A44-V48 WeakPolarHBondContact O-CB 3.32Å; A44-V48 VanDerWaalsContact O-CG2 3.25Å; A44-V48 WeakPolarHBondContact O-CG2 2.88Å; A44-V48 PolarHBondContact O-N 3.46Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 2.83Å; V48-L51 PolarHBondContact O-N 3.5Å; V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 WeakPolarHBondContact O-CB 3.42Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.4Å |
| 49 | A | 43.2 | Very low | 44.2 | Very low | 29 Ų | 29 | 90.5 Ų | 90.5 | 24% | 0.24 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A45 V46 R53 | A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 3.35Å; V46-A49 PolarHBondContact O-N 3.01Å; A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 WeakPolarHBondContact O-CG 3.44Å; A49-R53 PolarHBondContact O-N 2.8Å; A49-R53 PolarHBondContact O-NE 3.05Å |
| 50 | A | 47.8 | Very low | 43.6 | Very low | 38 Ų | 38 | 93.7 Ų | 93.7 | 31% | 0.314 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | V46 D47 V48 R53 R54 | V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.43Å; D47-A50 CarbonylContact O-C 3.6Å; D47-A50 PolarHBondContact O-N 3.31Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 2.83Å; A50-R53 PolarHBondContact O-N 2.77Å; A50-R54 WeakPolarHBondContact O-CB 3.16Å; A50-R54 PolarHBondContact O-N 3.3Å |
| 51 | L | 49.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 88 Ų | 88 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 174.6 | -166.9 | 72.3 | 0 | 0 | 0 | 111.3 | D47 V48 R53 R54 A55 | D47-L51 WeakPolarHBondContact O-CB 3.4Å; D47-L51 PolarHBondContact O-N 2.97Å; V48-L51 PolarHBondContact O-N 3.5Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 2.86Å; L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 2.82Å |
| 52 | V | 48.9 | Very low | 42.4 | Very low | 64 Ų | 64 | 94.4 Ų | 94.4 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 112 | V48 L59 | V48-V52 HydrophobicContact CG1-CG2 4.37Å; V48-V52 WeakPolarHBondContact O-CB 3.42Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 3.4Å; V52-L59 HydrophobicContact CG1-CD1 4.4Å; V52-L59 HydrophobicContact CG2-CD1 4.07Å |
| 53 | R | 41 | Very low | 42 | Very low | 174 Ų | 174 | 98.5 Ų | 98.5 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.3 | -40.2 | 173.2 | -76.4 | 175.2 | -68.5 | 178.3 | 2.2 | 112.4 | A49 A50 L51 A55 G56 | A49-R53 VanDerWaalsContact O-CB 3.32Å; A49-R53 WeakPolarHBondContact O-CB 3.42Å; A49-R53 WeakPolarHBondContact O-CG 3.44Å; A49-R53 PolarHBondContact O-N 2.8Å; A49-R53 PolarHBondContact O-NE 3.05Å; A50-R53 PolarHBondContact O-N 2.77Å; L51-R53 VanDerWaalsContact C-N 3.33Å; L51-R53 PolarHBondContact O-N 3.44Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.09Å; R53-G56 PolarHBondContact O-N 3.01Å |
| 54 | R | 41.6 | Very low | 41.4 | Very low | 227 Ų | 227 | 95.3 Ų | 95.3 | 86% | 0.857 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73 | -22.2 | 179.1 | -165.5 | 177.5 | -171.6 | -151.6 | 1.8 | 112.9 | A50 L51 G56 | A50-R54 WeakPolarHBondContact O-CB 3.16Å; A50-R54 PolarHBondContact O-N 3.3Å; L51-R54 PolarHBondContact O-N 2.86Å; R54-G56 PolarHBondContact O-N 2.75Å |
| 55 | A | 45.6 | Very low | 40.5 | Very low | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L51 R53 | L51-A55 VanDerWaalsContact O-CB 3.3Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 2.82Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.09Å |
| 56 | G | 35 | Very low | 40.2 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | trans | 73.6 | 78 | 169 | 0 | 0 | 0 | 0 | 0 | 114.4 | R53 R54 | R53-G56 PolarHBondContact O-N 3.01Å; R54-G56 PolarHBondContact O-N 2.75Å | ||
| 57 | A | 41.7 | Very low | 39.6 | Very low | 84 Ų | 84 | 107.6 Ų | 107.6 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 67.8 | 152.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | L59 | A57-L59 PolarHBondContact O-N 3.28Š|
| 58 | T | 40.3 | Very low | 38.6 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 63% | 0.632 | 57% | 0.568 | S | S | * | * | trans | 60.4 | 41.6 | 162.4 | 51.4 | 0 | 0 | 0 | 0 | 120.6 | R60 | T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.24Å | ||
| 59 | L | 37 | Very low | 38.2 | Very low | 67 Ų | 67 | 110.5 Ų | 110.5 | 35% | 0.351 | 59% | 0.586 | S | S | . | * | trans | -74.5 | 88.5 | 146.5 | -84.7 | 168.8 | 0 | 0 | 0 | 109.7 | V52 A57 L61 V77 | V52-L59 HydrophobicContact CG1-CD1 4.4Å; V52-L59 HydrophobicContact CG2-CD1 4.07Å; A57-L59 PolarHBondContact O-N 3.28Å; L59-L61 HydrophobicContact CB-CD1 4.23Å; L59-V77 HydrophobicContact CD2-CG1 4.05Å | ||
| 60 | R | 38.8 | Very low | 37.8 | Very low | 163 Ų | 163 | 116 Ų | 116 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | trans | -103.9 | 126 | 176.2 | -105.7 | -177.4 | 163.3 | -90.7 | 0.4 | 109.7 | T58 I87 | T58-R60 VanDerWaalsContact C-N 3.3Å; T58-R60 PolarHBondContact O-N 3.24Å; R60-I87 WeakPolarHBondContact O-CD1 3.3Å | ||
| 61 | L | 35.2 | Very low | 37.4 | Very low | 24 Ų | 24 | 119 Ų | 119 | 13% | 0.126 | 62% | 0.621 | C | S | . | * | trans | -140.8 | 147.5 | -172.7 | -54.1 | 115.1 | 0 | 0 | 0 | 107.3 | L59 I75 H90 R91 P92 | L59-L61 HydrophobicContact CB-CD1 4.23Å; L61-I75 HydrophobicContact CD2-CG2 3.5Å; L61-H90 WeakPolarHBondContact CB-O 3.27Å; L61-H90 WeakPolarHBondContact CD2-O 3.41Å; L61-R91 VanDerWaalsContact CB-CA 3.41Å; L61-R91 HydrophobicContact CB-CB 3.61Å; L61-R91 HydrophobicContact CB-CG 4.02Å; L61-R91 HydrophobicContact CD1-CB 4.3Å; L61-R91 HydrophobicContact CD1-CG 3.78Å; L61-P92 HydrophobicContact CD1-CG 4.46Å | ||
| 62 | R | 31.2 | Very low | 36.7 | Very low | 176 Ų | 176 | 117.2 Ų | 117.2 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | trans | -114.6 | -137.1 | -162.8 | -83.9 | -66.4 | -155.5 | 170.9 | 6.8 | 113.8 | D89 H90 | R62-D89 CarbonylContact C-O 3.56Å; R62-D89 WeakPolarHBondContact CA-OD1 3.26Å; R62-D89 WeakPolarHBondContact CB-OD1 3.33Å; R62-H90 WeakPolarHBondContact O-CA 2.97Å | ||
| 63 | R | 32.8 | Very low | 35.9 | Very low | 163 Ų | 163 | 114.7 Ų | 114.7 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | trans | -155.3 | 116.7 | 167.4 | -168.6 | -176 | -177 | 177.1 | 2.2 | 110.7 | D89 | R63-D89 CarbonylContact C-O 3.53Å; R63-D89 VanDerWaalsContact C-OD1 3.3Å; R63-D89 WeakPolarHBondContact CA-O 3.45Å; R63-D89 PolarHBondContact N-O 3.08Å; R63-D89 PolarHBondContact N-OD1 3.24Å | ||
| 64 | K | 30.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 112.1 Ų | 112.1 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 141.9 | 167.4 | -155.3 | 163.2 | -177.4 | 176.9 | 0 | 110.2 | V88 D89 H90 | K64-V88 HydrophobicContact CD-CG1 4.42Å; K64-D89 WeakPolarHBondContact CA-OD2 3.12Å; K64-D89 HydrophobicContact CB-CB 3.59Å; K64-D89 VanDerWaalsContact CB-OD2 3.27Å; K64-D89 WeakPolarHBondContact CB-OD2 3.49Å; K64-D89 PolarHBondContact N-O 2.83Å; K64-D89 PolarHBondContact N-OD2 2.94Å; K64-H90 PolarHBondContact N-NE2 3.35Å; K64-H90 PolarHBondContact O-CE1 3.09Å; K64-H90 VanDerWaalsContact O-CE1 3.27Å |
| 65 | E | 32 | Very low | 35.1 | Very low | 178 Ų | 178 | 101.5 Ų | 101.5 | 83% | 0.832 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.5 | -175.9 | -63.1 | -175.4 | 163.9 | 0 | 0 | 111.1 | ||
| 66 | A | 37 | Very low | 34.7 | Very low | 77 Ų | 77 | 100.5 Ų | 100.5 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 140.1 | -158.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 67 | V | 30.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 99.5 Ų | 99.5 | 87% | 0.873 | 53% | 0.534 | S | S | * | . | trans | -142.4 | 61.2 | 162.5 | -157.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | S | 28.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 97.5 Ų | 97.5 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -173.7 | 156.3 | 153.3 | 34.7 | 0 | 0 | 0 | 0 | 112.4 | L70 | S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.06Å |
| 69 | V | 34.7 | Very low | 34 | Very low | 150 Ų | 150 | 95 Ų | 95 | 91% | 0.909 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -80.9 | 6.1 | -162.3 | 171.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 70 | L | 34.9 | Very low | 33.9 | Very low | 143 Ų | 143 | 96.7 Ų | 96.7 | 75% | 0.749 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -122.3 | 116.3 | 167.2 | -69.6 | 170.9 | 0 | 0 | 0 | 107.4 | S68 S72 | S68-L70 VanDerWaalsContact C-N 3.27Å; S68-L70 PolarHBondContact O-N 3.06Å; L70-S72 PolarHBondContact O-N 2.87Å; L70-S72 PolarHBondContact O-OG 2.8Å |
| 71 | D | 38.6 | Very low | 33.9 | Very low | 102 Ų | 102 | 98 Ų | 98 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | trans | -61.9 | 78.7 | -170.1 | -159.1 | -124.5 | 0 | 0 | 0 | 111.4 | ||||
| 72 | S | 35.5 | Very low | 33.9 | Very low | 87 Ų | 87 | 99.8 Ų | 99.8 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | trans | -99.2 | 98.8 | 179.6 | -64.4 | 0 | 0 | 0 | 0 | 108.5 | L70 | L70-S72 PolarHBondContact O-N 2.87Å; L70-S72 PolarHBondContact O-OG 2.8Å | ||
| 73 | A | 32.5 | Very low | 33.8 | Very low | 11 Ų | 11 | 96.6 Ų | 96.6 | 9% | 0.091 | 53% | 0.53 | C | S | . | . | trans | -92.5 | 112.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I75 H90 | A73-I75 HydrophobicContact CB-CD1 4.48Å; A73-I75 HydrophobicContact CB-CG1 4.23Å; A73-H90 HydrophobicContact CB-CB 3.89Å; A73-H90 VanDerWaalsContact CB-CG 3.45Å | ||
| 74 | D | 31.9 | Very low | 33.7 | Very low | 119 Ų | 119 | 97.5 Ų | 97.5 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | trans | -71.5 | 127.3 | 162.2 | -67.7 | -56.5 | 0 | 0 | 0 | 108.7 | V88 D89 H90 | D74-V88 CarbonylContact O-C 3.56Å; D74-D89 PolarHBondContact O-N 2.88Å; D74-H90 PolarHBondContact O-CD2 2.86Å | ||
| 75 | I | 34.3 | Very low | 33.9 | Very low | 5 Ų | 5 | 91.9 Ų | 91.9 | 3% | 0.026 | 52% | 0.519 | C | S | . | . | trans | -125.8 | 93.1 | -175.9 | -51.8 | -175.6 | 0 | 0 | 0 | 108.7 | L61 A73 H90 L125 I129 | L61-I75 HydrophobicContact CD2-CG2 3.5Å; A73-I75 HydrophobicContact CB-CD1 4.48Å; A73-I75 HydrophobicContact CB-CG1 4.23Å; I75-H90 HydrophobicContact CD1-CB 4.03Å; I75-H90 HydrophobicContact CG1-CB 3.94Å; I75-H90 WeakPolarHBondContact CG2-O 3.21Å; I75-L125 VanDerWaalsContact O-O 3.14Å; I75-I129 HydrophobicContact CD1-CD1 3.81Å; I75-I129 HydrophobicContact CD1-CG1 4.36Å | ||
| 76 | E | 35.3 | Very low | 34.1 | Very low | 31 Ų | 31 | 88.2 Ų | 88.2 | 15% | 0.145 | 51% | 0.509 | C | S | . | . | trans | -78.7 | 139.1 | 169.4 | -176.3 | 162.3 | -164.2 | 0 | 0 | 111.2 | A85 T86 I87 V88 Q124 | E76-A85 HydrophobicContact CG-CB 4.39Å; E76-A85 WeakPolarHBondContact OE1-CA 3.43Å; E76-T86 PolarHBondContact OE1-N 3.14Å; E76-T86 PolarHBondContact OE1-OG1 3.26Å; E76-T86 WeakPolarHBondContact OE2-CA 3.4Å; E76-T86 PolarHBondContact OE2-N 3.37Å; E76-T86 PolarHBondContact OE2-OG1 3.43Å; E76-I87 VanDerWaalsContact O-CG1 3.32Å; E76-I87 WeakPolarHBondContact O-CG1 3.14Å; E76-V88 WeakPolarHBondContact CB-O 3.49Å; E76-V88 PolarHBondContact N-O 3.49Å; E76-Q124 PolarHBondContact OE1-NE2 3.25Å | ||
| 77 | V | 34.5 | Very low | 34.1 | Very low | 34 Ų | 34 | 87.5 Ų | 87.5 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | trans | -115.6 | 103.6 | -174.1 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | L59 D79 | L59-V77 HydrophobicContact CD2-CG1 4.05Å; V77-D79 PolarHBondContact O-N 3.25Å | ||
| 78 | T | 33.6 | Very low | 34.4 | Very low | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.258 | 47% | 0.47 | S | S | . | . | trans | -85.7 | 96.6 | 168.6 | -44.8 | 0 | 0 | 0 | 0 | 110.2 | S80 A85 I87 | T78-S80 PolarHBondContact O-N 2.87Å; T78-A85 HydrophobicContact CG2-CB 4.25Å; T78-A85 VanDerWaalsContact CG2-O 3.27Å; T78-A85 WeakPolarHBondContact CG2-O 3.32Å; T78-A85 PolarHBondContact OG1-O 2.83Å; T78-I87 WeakPolarHBondContact OG1-CD1 3.28Å; T78-I87 WeakPolarHBondContact OG1-CG1 3.29Å; T78-I87 PolarHBondContact OG1-N 3.4Å | ||
| 79 | D | 35.3 | Very low | 35.1 | Very low | 49 Ų | 49 | 80.3 Ų | 80.3 | 26% | 0.262 | 44% | 0.444 | S | S | . | . | trans | -68.6 | 121 | 151.8 | -174.3 | -14 | 0 | 0 | 0 | 107 | V77 R81 L82 | V77-D79 PolarHBondContact O-N 3.25Å; D79-R81 PolarHBondContact O-N 3.47Å; D79-R81 WeakPolarHBondContact OD1-CB 3.31Å; D79-R81 IonicContact OD1-CZ 3.72Å; D79-R81 PolarHBondContact OD1-N 3.21Å; D79-R81 IonicContact OD1-NE 3.03Å; D79-R81 PolarHBondContact OD1-NE 2.81Å; D79-R81 IonicContact OD1-NH2 3.5Å; D79-R81 IonicContact OD2-CZ 3.53Å; D79-R81 IonicContact OD2-NE 3.33Å; D79-R81 PolarHBondContact OD2-NE 2.8Å; D79-R81 IonicContact OD2-NH2 2.87Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å; D79-L82 HydrophobicContact CB-CB 4.31Å; D79-L82 HydrophobicContact CB-CD1 3.87Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 PolarHBondContact O-N 2.78Å | ||
| 80 | S | 33.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 74.7 Ų | 74.7 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 5.6 | 177.8 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | T78 | T78-S80 PolarHBondContact O-N 2.87Š|
| 81 | R | 39.3 | Very low | 35.9 | Very low | 189 Ų | 189 | 74.6 Ų | 74.6 | 71% | 0.713 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.5 | 165.5 | -62.4 | 167.7 | -63.9 | -172.6 | 5.2 | 113.4 | D79 | D79-R81 PolarHBondContact O-N 3.47Å; D79-R81 WeakPolarHBondContact OD1-CB 3.31Å; D79-R81 IonicContact OD1-CZ 3.72Å; D79-R81 PolarHBondContact OD1-N 3.21Å; D79-R81 IonicContact OD1-NE 3.03Å; D79-R81 PolarHBondContact OD1-NE 2.81Å; D79-R81 IonicContact OD1-NH2 3.5Å; D79-R81 IonicContact OD2-CZ 3.53Å; D79-R81 IonicContact OD2-NE 3.33Å; D79-R81 PolarHBondContact OD2-NE 2.8Å; D79-R81 IonicContact OD2-NH2 2.87Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å |
| 82 | L | 36.4 | Very low | 36.4 | Very low | 63 Ų | 63 | 72.6 Ų | 72.6 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -99.4 | 117.6 | 170.4 | -67.3 | 173.2 | 0 | 0 | 0 | 108 | D79 H84 P123 | D79-L82 HydrophobicContact CB-CB 4.31Å; D79-L82 HydrophobicContact CB-CD1 3.87Å; D79-L82 HydrophobicContact CB-CG 4.01Å; D79-L82 PolarHBondContact O-N 2.78Å; L82-H84 PolarHBondContact O-N 3.41Å; L82-H84 VanDerWaalsContact O-N 3.17Å; L82-P123 VanDerWaalsContact CD1-CA 3.47Å; L82-P123 HydrophobicContact CD1-CB 3.63Å; L82-P123 HydrophobicContact CD2-CB 4.14Å; L82-P123 HydrophobicContact CG-CB 4.35Å |
| 83 | P | 28.7 | Very low | 36.9 | Very low | 109 Ų | 109 | 74.1 Ų | 74.1 | 71% | 0.708 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -68.6 | 118.3 | -178.8 | 28.3 | -33 | 0 | 0 | 0 | 109.3 | ||
| 84 | H | 29.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 78.7 Ų | 78.7 | 84% | 0.838 | 41% | 0.414 | S | S | * | . | trans | 69 | 76 | 173.4 | -41.8 | -73.8 | 0 | 0 | 0 | 116 | L82 | L82-H84 PolarHBondContact O-N 3.41Å; L82-H84 VanDerWaalsContact O-N 3.17Å | ||
| 85 | A | 34.2 | Very low | 38 | Very low | 13 Ų | 13 | 74.5 Ų | 74.5 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | trans | -116.1 | 144.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 109 | E76 T78 | E76-A85 HydrophobicContact CG-CB 4.39Å; E76-A85 WeakPolarHBondContact OE1-CA 3.43Å; T78-A85 HydrophobicContact CG2-CB 4.25Å; T78-A85 VanDerWaalsContact CG2-O 3.27Å; T78-A85 WeakPolarHBondContact CG2-O 3.32Å; T78-A85 PolarHBondContact OG1-O 2.83Å | ||
| 86 | T | 36.9 | Very low | 38.8 | Very low | 101 Ų | 101 | 75.9 Ų | 75.9 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | trans | -116.4 | 62.6 | -163 | 39 | 0 | 0 | 0 | 0 | 113.9 | E76 V88 | E76-T86 PolarHBondContact OE1-N 3.14Å; E76-T86 PolarHBondContact OE1-OG1 3.26Å; E76-T86 WeakPolarHBondContact OE2-CA 3.4Å; E76-T86 PolarHBondContact OE2-N 3.37Å; E76-T86 PolarHBondContact OE2-OG1 3.43Å; T86-V88 WeakPolarHBondContact O-CG2 3.46Å; T86-V88 PolarHBondContact O-N 3.02Å | ||
| 87 | I | 37.3 | Very low | 39.5 | Very low | 62 Ų | 62 | 77.8 Ų | 77.8 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | trans | -31.5 | 110.1 | -176.2 | -72.5 | 147.5 | 0 | 0 | 0 | 115.3 | R60 E76 T78 | R60-I87 WeakPolarHBondContact O-CD1 3.3Å; E76-I87 VanDerWaalsContact O-CG1 3.32Å; E76-I87 WeakPolarHBondContact O-CG1 3.14Å; T78-I87 WeakPolarHBondContact OG1-CD1 3.28Å; T78-I87 WeakPolarHBondContact OG1-CG1 3.29Å; T78-I87 PolarHBondContact OG1-N 3.4Å | ||
| 88 | V | 36.7 | Very low | 40.7 | Very low | 63 Ų | 63 | 79 Ų | 79 | 38% | 0.382 | 43% | 0.425 | S | S | . | . | trans | -143.9 | 121.6 | 158.9 | -123.8 | 0 | 0 | 0 | 0 | 103.2 | K64 D74 E76 T86 | K64-V88 HydrophobicContact CD-CG1 4.42Å; D74-V88 CarbonylContact O-C 3.56Å; E76-V88 WeakPolarHBondContact CB-O 3.49Å; E76-V88 PolarHBondContact N-O 3.49Å; T86-V88 WeakPolarHBondContact O-CG2 3.46Å; T86-V88 PolarHBondContact O-N 3.02Å | ||
| 89 | D | 42.3 | Very low | 41.9 | Very low | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.15 | 43% | 0.426 | C | S | . | . | S | Bend | cis | -165.3 | 23.3 | 1.9 | -143.4 | -23.6 | 0 | 0 | 0 | 117.1 | R62 R63 K64 D74 | R62-D89 CarbonylContact C-O 3.56Å; R62-D89 WeakPolarHBondContact CA-OD1 3.26Å; R62-D89 WeakPolarHBondContact CB-OD1 3.33Å; R63-D89 CarbonylContact C-O 3.53Å; R63-D89 VanDerWaalsContact C-OD1 3.3Å; R63-D89 WeakPolarHBondContact CA-O 3.45Å; R63-D89 PolarHBondContact N-O 3.08Å; R63-D89 PolarHBondContact N-OD1 3.24Å; K64-D89 WeakPolarHBondContact CA-OD2 3.12Å; K64-D89 HydrophobicContact CB-CB 3.59Å; K64-D89 VanDerWaalsContact CB-OD2 3.27Å; K64-D89 WeakPolarHBondContact CB-OD2 3.49Å; K64-D89 PolarHBondContact N-O 2.83Å; K64-D89 PolarHBondContact N-OD2 2.94Å; D74-D89 PolarHBondContact O-N 2.88Å |
| 90 | H | 41.8 | Very low | 43 | Very low | 33 Ų | 33 | 80.1 Ų | 80.1 | 15% | 0.153 | 43% | 0.427 | C | S | . | . | trans | -137.4 | 134.7 | -176.3 | -57.6 | -118.7 | 0 | 0 | 0 | 116.3 | L61 R62 K64 A73 D74 I75 P92 | L61-H90 WeakPolarHBondContact CB-O 3.27Å; L61-H90 WeakPolarHBondContact CD2-O 3.41Å; R62-H90 WeakPolarHBondContact O-CA 2.97Å; K64-H90 PolarHBondContact N-NE2 3.35Å; K64-H90 PolarHBondContact O-CE1 3.09Å; K64-H90 VanDerWaalsContact O-CE1 3.27Å; A73-H90 HydrophobicContact CB-CB 3.89Å; A73-H90 VanDerWaalsContact CB-CG 3.45Å; D74-H90 PolarHBondContact O-CD2 2.86Å; I75-H90 HydrophobicContact CD1-CB 4.03Å; I75-H90 HydrophobicContact CG1-CB 3.94Å; I75-H90 WeakPolarHBondContact CG2-O 3.21Å; H90-P92 WeakPolarHBondContact O-CD 3.2Å | ||
| 91 | R | 45.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 75.3 Ų | 75.3 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | trans | -88.5 | 108.2 | -178.4 | -166.8 | 145 | -174.2 | -154.7 | -0.8 | 114.7 | L61 | L61-R91 VanDerWaalsContact CB-CA 3.41Å; L61-R91 HydrophobicContact CB-CB 3.61Å; L61-R91 HydrophobicContact CB-CG 4.02Å; L61-R91 HydrophobicContact CD1-CB 4.3Å; L61-R91 HydrophobicContact CD1-CG 3.78Å | ||
| 92 | P | 49.6 | Very low | 45.5 | Very low | 60 Ų | 60 | 69.1 Ų | 69.1 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | trans | -53.8 | 138.1 | 166.1 | 16.6 | -31.9 | 0 | 0 | 0 | 113.3 | L61 H90 D96 I129 | L61-P92 HydrophobicContact CD1-CG 4.46Å; H90-P92 WeakPolarHBondContact O-CD 3.2Å; P92-D96 WeakPolarHBondContact CA-OD2 3.32Å; P92-I129 HydrophobicContact CB-CD1 3.88Å; P92-I129 HydrophobicContact CG-CD1 4.46Å | ||
| 93 | Q | 44.4 | Very low | 46.7 | Very low | 119 Ų | 119 | 69.1 Ų | 69.1 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -116.1 | 165.1 | 176.5 | -55.6 | -170.8 | 10.9 | 0 | 0 | 111.1 | G95 D96 | Q93-G95 PolarHBondContact O-N 2.88Å; Q93-D96 PolarHBondContact N-OD2 2.89Å; Q93-D96 VanDerWaalsContact O-CB 3.26Å; Q93-D96 WeakPolarHBondContact O-CB 3.1Å; Q93-D96 PolarHBondContact O-N 3.01Å | ||
| 94 | V | 41.9 | Very low | 48 | Very low | 107 Ų | 107 | 68.1 Ų | 68.1 | 65% | 0.648 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 124.5 | 171.1 | 163.4 | 0 | 0 | 0 | 0 | 108.6 | A45 | A45-V94 HydrophobicContact CB-CB 4.49Å; A45-V94 HydrophobicContact CB-CG1 3.73Å; A45-V94 HydrophobicContact CB-CG2 4.3Å |
| 95 | G | 46.1 | Very low | 49.1 | Very low | 32 Ų | 32 | 61.6 Ų | 61.6 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.8 | -19.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q93 P132 | Q93-G95 PolarHBondContact O-N 2.88Å; G95-P132 WeakPolarHBondContact O-CD 3.25Å; G95-P132 WeakPolarHBondContact O-CG 3.4Å |
| 96 | D | 51.4 | Low | 50.2 | Low | 33 Ų | 33 | 62.4 Ų | 62.4 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | trans | -66.5 | 132.3 | 177.5 | -73.9 | 10 | 0 | 0 | 0 | 112.3 | P92 Q93 I129 R131 | P92-D96 WeakPolarHBondContact CA-OD2 3.32Å; Q93-D96 PolarHBondContact N-OD2 2.89Å; Q93-D96 VanDerWaalsContact O-CB 3.26Å; Q93-D96 WeakPolarHBondContact O-CB 3.1Å; Q93-D96 PolarHBondContact O-N 3.01Å; D96-I129 HydrophobicContact CB-CG2 3.54Å; D96-R131 WeakPolarHBondContact OD1-CG 3.33Å | ||
| 97 | L | 50.1 | Low | 50.8 | Low | 72 Ų | 72 | 65.2 Ų | 65.2 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.8 | 178 | -61.6 | 172.4 | 0 | 0 | 0 | 110 | L99 I129 R130 P132 | L97-L99 PolarHBondContact O-N 2.66Å; L97-I129 CarbonylContact O-C 3.59Å; L97-I129 WeakPolarHBondContact O-CA 3.38Å; L97-R130 WeakPolarHBondContact CB-O 3.39Å; L97-R130 PolarHBondContact N-O 2.73Å; L97-R130 PolarHBondContact O-N 2.73Å; L97-P132 HydrophobicContact CD1-CB 4.31Å; L97-P132 HydrophobicContact CD1-CG 4.2Å; L97-P132 HydrophobicContact CG-CG 4.26Å |
| 98 | V | 60.3 | Low | 51.2 | Low | 58 Ų | 58 | 66.1 Ų | 66.1 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 115.5 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | H100 I101 T106 L127 V128 I129 | V98-H100 WeakPolarHBondContact CG1-O 3.33Å; V98-I101 HydrophobicContact CG1-CG1 3.91Å; V98-T106 HydrophobicContact CG1-CG2 3.98Å; V98-T106 PolarHBondContact O-OG1 2.88Å; V98-L127 HydrophobicContact CG1-CD2 4.06Å; V98-V128 CarbonylContact C-O 2.73Å; V98-I129 HydrophobicContact CG2-CG1 4.35Å |
| 99 | L | 57.4 | Low | 52.1 | Low | 53 Ų | 53 | 65.3 Ų | 65.3 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -33.4 | 179 | -63.7 | -172.2 | 0 | 0 | 0 | 113.1 | L97 S105 T106 V128 R130 | L97-L99 PolarHBondContact O-N 2.66Å; L99-S105 WeakPolarHBondContact O-CA 3.09Å; L99-T106 WeakPolarHBondContact CA-OG1 3.39Å; L99-T106 PolarHBondContact O-N 3.44Å; L99-T106 PolarHBondContact O-OG1 3.44Å; L99-T106 VanDerWaalsContact O-OG1 3.09Å; L99-V128 HydrophobicContact CB-CG1 4.28Å; L99-V128 PolarHBondContact N-O 3Å; L99-R130 HydrophobicContact CD1-CB 3.64Å; L99-R130 HydrophobicContact CD2-CB 4.21Å; L99-R130 HydrophobicContact CG-CB 3.85Å |
| 100 | H | 58.8 | Low | 52.5 | Low | 63 Ų | 63 | 67.7 Ų | 67.7 | 29% | 0.292 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.9 | 177 | -54 | 78.4 | 0 | 0 | 0 | 111.3 | V98 E104 S105 L127 V128 | V98-H100 WeakPolarHBondContact CG1-O 3.33Å; H100-E104 CarbonylContact C-O 3.46Å; H100-E104 WeakPolarHBondContact CA-O 3.19Å; H100-E104 WeakPolarHBondContact CB-O 3.48Å; H100-S105 VanDerWaalsContact CD2-CA 3.49Å; H100-S105 WeakPolarHBondContact CD2-CA 3.14Å; H100-L127 WeakPolarHBondContact O-CA 3.36Å; H100-V128 HydrophobicContact CB-CB 3.81Å; H100-V128 HydrophobicContact CB-CG2 3.85Å; H100-V128 PolarHBondContact N-O 3.05Å; H100-V128 PolarHBondContact O-N 2.74Å; H100-V128 VanDerWaalsContact O-N 3.08Å |
| 101 | I | 64.1 | Low | 52.7 | Low | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.015 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.8 | 173 | -58.9 | 163.1 | 0 | 0 | 0 | 107.1 | V98 G103 E104 T106 A114 R117 I118 L125 H126 L127 | V98-I101 HydrophobicContact CG1-CG1 3.91Å; I101-G103 PolarHBondContact O-N 2.68Å; I101-E104 PolarHBondContact N-O 3.1Å; I101-E104 WeakPolarHBondContact O-CB 3.42Å; I101-E104 PolarHBondContact O-N 3.09Å; I101-T106 HydrophobicContact CD1-CG2 3.71Å; I101-T106 HydrophobicContact CG1-CG2 3.75Å; I101-A114 HydrophobicContact CD1-CB 4.01Å; I101-R117 HydrophobicContact CB-CB 4.39Å; I101-R117 HydrophobicContact CD1-CB 4.3Å; I101-R117 HydrophobicContact CG2-CB 3.86Å; I101-I118 HydrophobicContact CD1-CD1 4.3Å; I101-I118 HydrophobicContact CD1-CG1 4.13Å; I101-I118 HydrophobicContact CG2-CG1 4.08Å; I101-L125 HydrophobicContact CG2-CD1 3.84Å; I101-H126 CarbonylContact C-O 3.49Å; I101-H126 WeakPolarHBondContact CA-O 3.49Å; I101-L127 HydrophobicContact CB-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD2 3.81Å; I101-L127 HydrophobicContact CG2-CD2 4.12Å |
| 102 | N | 62.7 | Low | 52.7 | Low | 59 Ų | 59 | 69.2 Ų | 69.2 | 32% | 0.316 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.4 | -178.4 | -60.4 | -28.9 | 0 | 0 | 0 | 114 | E104 G121 L125 H126 | N102-E104 VanDerWaalsContact C-N 3.3Å; N102-E104 PolarHBondContact O-N 2.86Å; N102-G121 VanDerWaalsContact ND2-CA 3.29Å; N102-G121 WeakPolarHBondContact ND2-CA 3.4Å; N102-L125 WeakPolarHBondContact OD1-CA 3.43Å; N102-H126 PolarHBondContact N-O 3.36Å; N102-H126 PolarHBondContact OD1-N 3.16Å |
| 103 | G | 60.1 | Low | 52.9 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -12.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I101 | I101-G103 PolarHBondContact O-N 2.68Š|
| 104 | E | 56.1 | Low | 53.4 | Low | 88 Ų | 88 | 65.7 Ų | 65.7 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.4 | 177.8 | -62.4 | -168.8 | 83.4 | 0 | 0 | 112 | H100 I101 N102 R117 | H100-E104 CarbonylContact C-O 3.46Å; H100-E104 WeakPolarHBondContact CA-O 3.19Å; H100-E104 WeakPolarHBondContact CB-O 3.48Å; I101-E104 PolarHBondContact N-O 3.1Å; I101-E104 WeakPolarHBondContact O-CB 3.42Å; I101-E104 PolarHBondContact O-N 3.09Å; N102-E104 VanDerWaalsContact C-N 3.3Å; N102-E104 PolarHBondContact O-N 2.86Å; E104-R117 IonicContact OE1-CZ 2.91Å; E104-R117 IonicContact OE1-NE 3.06Å; E104-R117 IonicContact OE1-NH1 3.09Å; E104-R117 PolarHBondContact OE1-NH1 3.31Å; E104-R117 VanDerWaalsContact OE1-NH1 3.1Å; E104-R117 IonicContact OE1-NH2 3.35Å; E104-R117 PolarHBondContact OE1-NH2 3.41Å; E104-R117 WeakPolarHBondContact OE2-CD 3.44Å; E104-R117 IonicContact OE2-CZ 3.76Å; E104-R117 IonicContact OE2-NE 2.7Å; E104-R117 PolarHBondContact OE2-NE 3.16Å; E104-R117 IonicContact OE2-NH1 3.96Å; E104-R117 PolarHBondContact OE2-NH1 3.33Å; E104-R117 VanDerWaalsContact OE2-NH1 3.09Å; E104-R117 IonicContact OE2-NH2 3.8Å; E104-R117 PolarHBondContact OE2-NH2 3.2Å |
| 105 | S | 54 | Low | 54.2 | Low | 44 Ų | 44 | 63.1 Ų | 63.1 | 31% | 0.308 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 138.9 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | L99 H100 Q107 | L99-S105 WeakPolarHBondContact O-CA 3.09Å; H100-S105 VanDerWaalsContact CD2-CA 3.49Å; H100-S105 WeakPolarHBondContact CD2-CA 3.14Å; S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 WeakPolarHBondContact OG-CB 3.47Å; S105-Q107 WeakPolarHBondContact OG-CG 3.44Å; S105-Q107 PolarHBondContact OG-N 2.88Å; S105-Q107 VanDerWaalsContact OG-N 3.16Å |
| 106 | T | 56.8 | Low | 55 | Low | 31 Ų | 31 | 67.8 Ų | 67.8 | 19% | 0.19 | 40% | 0.397 | C | S | . | . | trans | -81.4 | -8.5 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 112.8 | V98 L99 I101 G108 L109 | V98-T106 HydrophobicContact CG1-CG2 3.98Å; V98-T106 PolarHBondContact O-OG1 2.88Å; L99-T106 WeakPolarHBondContact CA-OG1 3.39Å; L99-T106 PolarHBondContact O-N 3.44Å; L99-T106 PolarHBondContact O-OG1 3.44Å; L99-T106 VanDerWaalsContact O-OG1 3.09Å; I101-T106 HydrophobicContact CD1-CG2 3.71Å; I101-T106 HydrophobicContact CG1-CG2 3.75Å; T106-G108 PolarHBondContact O-N 2.99Å; T106-L109 PolarHBondContact O-N 3.24Å; T106-L109 VanDerWaalsContact O-N 3.13Å | ||
| 107 | Q | 49.1 | Very low | 55.5 | Low | 159 Ų | 159 | 69.6 Ų | 69.6 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 122.7 | 179.3 | -65.5 | -177.1 | -31.1 | 0 | 0 | 110.6 | S105 L109 | S105-Q107 VanDerWaalsContact C-N 3.28Å; S105-Q107 WeakPolarHBondContact OG-CB 3.47Å; S105-Q107 WeakPolarHBondContact OG-CG 3.44Å; S105-Q107 PolarHBondContact OG-N 2.88Å; S105-Q107 VanDerWaalsContact OG-N 3.16Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.28Å |
| 108 | G | 46.7 | Very low | 56.2 | Low | 81 Ų | 81 | 69.8 Ų | 69.8 | 84% | 0.835 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T106 | T106-G108 PolarHBondContact O-N 2.99Š|
| 109 | L | 54.8 | Low | 56.4 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | trans | -75.9 | 139 | 172.7 | -61 | -172.4 | 0 | 0 | 0 | 111.3 | T106 Q107 Q113 R117 | T106-L109 PolarHBondContact O-N 3.24Å; T106-L109 VanDerWaalsContact O-N 3.13Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.28Å; L109-Q113 HydrophobicContact CB-CB 4.46Å; L109-R117 HydrophobicContact CD1-CG 4.43Å | ||
| 110 | T | 50.1 | Low | 56.5 | Low | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | trans | -72.2 | 158.5 | 165.5 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | A112 Q113 A114 | T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.01Å; T110-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.41Å; T110-Q113 PolarHBondContact OG1-OE1 2.87Å; T110-A114 PolarHBondContact O-N 3.22Å | ||
| 111 | H | 46.5 | Very low | 56.5 | Low | 138 Ų | 138 | 75.9 Ų | 75.9 | 64% | 0.639 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.6 | -41.4 | 177.1 | 175.3 | 69.3 | 0 | 0 | 0 | 112.8 | A114 V115 | H111-A114 PolarHBondContact O-N 2.96Å; H111-V115 WeakPolarHBondContact O-CG2 3.17Å; H111-V115 PolarHBondContact O-N 2.97Å |
| 112 | A | 46.5 | Very low | 56 | Low | 67 Ų | 67 | 78.3 Ų | 78.3 | 55% | 0.554 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | T110 V115 E116 | T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.01Å; A112-V115 PolarHBondContact O-N 3.14Å; A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 3.28Å |
| 113 | Q | 52.5 | Low | 55.4 | Low | 83 Ų | 83 | 79.2 Ų | 79.2 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177 | -70.7 | 163.4 | -47.7 | 0 | 0 | 111.9 | L109 T110 V115 E116 R117 | L109-Q113 HydrophobicContact CB-CB 4.46Å; T110-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.28Å; T110-Q113 PolarHBondContact OG1-N 3.41Å; T110-Q113 PolarHBondContact OG1-OE1 2.87Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.43Å; Q113-E116 PolarHBondContact O-N 3.13Å; Q113-R117 WeakPolarHBondContact O-CG 3.37Å; Q113-R117 PolarHBondContact O-N 3.46Å |
| 114 | A | 54.7 | Low | 54.8 | Low | 22 Ų | 22 | 80.8 Ų | 80.8 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I101 T110 H111 R117 I118 | I101-A114 HydrophobicContact CD1-CB 4.01Å; T110-A114 PolarHBondContact O-N 3.22Å; H111-A114 PolarHBondContact O-N 2.96Å; A114-R117 PolarHBondContact O-N 3.37Å; A114-I118 WeakPolarHBondContact O-CD1 3.4Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 3.21Å; A114-I118 VanDerWaalsContact O-N 3.14Å |
| 115 | V | 60 | Low | 54.8 | Low | 53 Ų | 53 | 77.9 Ų | 77.9 | 32% | 0.321 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | H111 A112 Q113 I118 R119 | H111-V115 WeakPolarHBondContact O-CG2 3.17Å; H111-V115 PolarHBondContact O-N 2.97Å; A112-V115 PolarHBondContact O-N 3.14Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.43Å; V115-I118 PolarHBondContact O-N 3.26Å; V115-R119 WeakPolarHBondContact O-CG 3.46Å; V115-R119 PolarHBondContact O-N 3.11Å |
| 116 | E | 62.2 | Low | 54.9 | Low | 130 Ų | 130 | 80.3 Ų | 80.3 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 174.6 | -173.9 | 174.9 | -161.4 | 0 | 0 | 111.5 | A112 Q113 I118 R119 A120 | A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 3.28Å; Q113-E116 PolarHBondContact O-N 3.13Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.41Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.09Å; E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.94Å |
| 117 | R | 62.5 | Low | 55.1 | Low | 72 Ų | 72 | 80 Ų | 80 | 27% | 0.272 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 174.3 | -66.5 | -80.4 | 176.3 | 92.9 | -20 | 112.4 | I101 E104 L109 Q113 A114 A120 G121 | I101-R117 HydrophobicContact CB-CB 4.39Å; I101-R117 HydrophobicContact CD1-CB 4.3Å; I101-R117 HydrophobicContact CG2-CB 3.86Å; E104-R117 IonicContact OE1-CZ 2.91Å; E104-R117 IonicContact OE1-NE 3.06Å; E104-R117 IonicContact OE1-NH1 3.09Å; E104-R117 PolarHBondContact OE1-NH1 3.31Å; E104-R117 VanDerWaalsContact OE1-NH1 3.1Å; E104-R117 IonicContact OE1-NH2 3.35Å; E104-R117 PolarHBondContact OE1-NH2 3.41Å; E104-R117 WeakPolarHBondContact OE2-CD 3.44Å; E104-R117 IonicContact OE2-CZ 3.76Å; E104-R117 IonicContact OE2-NE 2.7Å; E104-R117 PolarHBondContact OE2-NE 3.16Å; E104-R117 IonicContact OE2-NH1 3.96Å; E104-R117 PolarHBondContact OE2-NH1 3.33Å; E104-R117 VanDerWaalsContact OE2-NH1 3.09Å; E104-R117 IonicContact OE2-NH2 3.8Å; E104-R117 PolarHBondContact OE2-NH2 3.2Å; L109-R117 HydrophobicContact CD1-CG 4.43Å; Q113-R117 WeakPolarHBondContact O-CG 3.37Å; Q113-R117 PolarHBondContact O-N 3.46Å; A114-R117 PolarHBondContact O-N 3.37Å; R117-A120 PolarHBondContact O-N 3.25Å; R117-G121 PolarHBondContact O-N 3Å |
| 118 | I | 65.3 | Low | 55.5 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 175.5 | -70.1 | 164.6 | 0 | 0 | 0 | 111.3 | I101 A114 V115 E116 L125 | I101-I118 HydrophobicContact CD1-CD1 4.3Å; I101-I118 HydrophobicContact CD1-CG1 4.13Å; I101-I118 HydrophobicContact CG2-CG1 4.08Å; A114-I118 WeakPolarHBondContact O-CD1 3.4Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 3.21Å; A114-I118 VanDerWaalsContact O-N 3.14Å; V115-I118 PolarHBondContact O-N 3.26Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.41Å; I118-L125 HydrophobicContact CB-CD1 4.32Å; I118-L125 HydrophobicContact CG1-CD1 4.17Å; I118-L125 HydrophobicContact CG1-CD2 4.27Å; I118-L125 HydrophobicContact CG2-CD1 4.39Å; I118-L125 HydrophobicContact CG2-CD2 3.92Å |
| 119 | R | 62.8 | Low | 56.2 | Low | 201 Ų | 201 | 71.4 Ų | 71.4 | 76% | 0.758 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71.6 | -35.4 | 176.8 | -72.9 | 169.3 | 170.7 | -86.8 | 0.8 | 112.9 | V115 E116 | V115-R119 WeakPolarHBondContact O-CG 3.46Å; V115-R119 PolarHBondContact O-N 3.11Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.09Å |
| 120 | A | 59.7 | Low | 56 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 67% | 0.669 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -76.6 | -20.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E116 R117 G122 | E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.94Å; R117-A120 PolarHBondContact O-N 3.25Å; A120-G122 PolarHBondContact O-N 2.99Å; A120-G122 VanDerWaalsContact O-N 3.11Å |
| 121 | G | 58.4 | Low | 56.1 | Low | 20 Ų | 20 | 78.8 Ų | 78.8 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | N102 R117 | N102-G121 VanDerWaalsContact ND2-CA 3.29Å; N102-G121 WeakPolarHBondContact ND2-CA 3.4Å; R117-G121 PolarHBondContact O-N 3Å |
| 122 | G | 55.5 | Low | 56.2 | Low | 53 Ų | 53 | 74.7 Ų | 74.7 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -131.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A120 | A120-G122 PolarHBondContact O-N 2.99Å; A120-G122 VanDerWaalsContact O-N 3.11Å |
| 123 | P | 49.8 | Very low | 56.2 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.8 | -171.4 | 32.9 | -36.2 | 0 | 0 | 0 | 115.4 | L82 | L82-P123 VanDerWaalsContact CD1-CA 3.47Å; L82-P123 HydrophobicContact CD1-CB 3.63Å; L82-P123 HydrophobicContact CD2-CB 4.14Å; L82-P123 HydrophobicContact CG-CB 4.35Å |
| 124 | Q | 46 | Very low | 55.9 | Low | 95 Ų | 95 | 82.6 Ų | 82.6 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | trans | -128 | 133.2 | -177.3 | -73.9 | -179.5 | -30.3 | 0 | 0 | 110.1 | E76 | E76-Q124 PolarHBondContact OE1-NE2 3.25Š| ||
| 125 | L | 57.8 | Low | 55.4 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 15% | 0.147 | 45% | 0.453 | C | S | . | . | trans | -133.8 | 104 | -172.7 | -174.8 | 73.6 | 0 | 0 | 0 | 110.6 | I75 I101 N102 I118 L127 | I75-L125 VanDerWaalsContact O-O 3.14Å; I101-L125 HydrophobicContact CG2-CD1 3.84Å; N102-L125 WeakPolarHBondContact OD1-CA 3.43Å; I118-L125 HydrophobicContact CB-CD1 4.32Å; I118-L125 HydrophobicContact CG1-CD1 4.17Å; I118-L125 HydrophobicContact CG1-CD2 4.27Å; I118-L125 HydrophobicContact CG2-CD1 4.39Å; I118-L125 HydrophobicContact CG2-CD2 3.92Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD2-CD1 3.92Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CG 3.97Å; L125-L127 HydrophobicContact CG-CD1 4.45Å; L125-L127 HydrophobicContact CG-CD2 3.83Å; L125-L127 HydrophobicContact CG-CG 3.95Å; L125-L127 PolarHBondContact O-N 3.15Å | ||
| 126 | H | 54.3 | Low | 54.5 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | trans | -86.3 | 112.4 | 178.5 | -62 | 90.5 | 0 | 0 | 0 | 109.8 | I101 N102 | I101-H126 CarbonylContact C-O 3.49Å; I101-H126 WeakPolarHBondContact CA-O 3.49Å; N102-H126 PolarHBondContact N-O 3.36Å; N102-H126 PolarHBondContact OD1-N 3.16Å | ||
| 127 | L | 62.1 | Low | 53.6 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 13% | 0.131 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.6 | 179.8 | -61.2 | -176.1 | 0 | 0 | 0 | 111.1 | V98 H100 I101 L125 I129 | V98-L127 HydrophobicContact CG1-CD2 4.06Å; H100-L127 WeakPolarHBondContact O-CA 3.36Å; I101-L127 HydrophobicContact CB-CD2 4.2Å; I101-L127 HydrophobicContact CG1-CD2 3.81Å; I101-L127 HydrophobicContact CG2-CD2 4.12Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD2-CD1 3.92Å; L125-L127 HydrophobicContact CD2-CD2 3.97Å; L125-L127 HydrophobicContact CD2-CG 3.97Å; L125-L127 HydrophobicContact CG-CD1 4.45Å; L125-L127 HydrophobicContact CG-CD2 3.83Å; L125-L127 HydrophobicContact CG-CG 3.95Å; L125-L127 PolarHBondContact O-N 3.15Å; L127-I129 HydrophobicContact CB-CD1 4.28Å; L127-I129 HydrophobicContact CB-CG1 4.2Å |
| 128 | V | 56.4 | Low | 52.3 | Low | 43 Ų | 43 | 92.7 Ų | 92.7 | 26% | 0.261 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.5 | 168.2 | -179.6 | 0 | 0 | 0 | 0 | 108 | V98 L99 H100 | V98-V128 CarbonylContact C-O 2.73Å; L99-V128 HydrophobicContact CB-CG1 4.28Å; L99-V128 PolarHBondContact N-O 3Å; H100-V128 HydrophobicContact CB-CB 3.81Å; H100-V128 HydrophobicContact CB-CG2 3.85Å; H100-V128 PolarHBondContact N-O 3.05Å; H100-V128 PolarHBondContact O-N 2.74Å; H100-V128 VanDerWaalsContact O-N 3.08Å |
| 129 | I | 61.3 | Low | 51.2 | Low | 16 Ų | 16 | 98.4 Ų | 98.4 | 8% | 0.082 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.3 | -170.7 | -64.2 | -175.6 | 0 | 0 | 0 | 110.4 | I75 P92 D96 L97 V98 L127 | I75-I129 HydrophobicContact CD1-CD1 3.81Å; I75-I129 HydrophobicContact CD1-CG1 4.36Å; P92-I129 HydrophobicContact CB-CD1 3.88Å; P92-I129 HydrophobicContact CG-CD1 4.46Å; D96-I129 HydrophobicContact CB-CG2 3.54Å; L97-I129 CarbonylContact O-C 3.59Å; L97-I129 WeakPolarHBondContact O-CA 3.38Å; V98-I129 HydrophobicContact CG2-CG1 4.35Å; L127-I129 HydrophobicContact CB-CD1 4.28Å; L127-I129 HydrophobicContact CB-CG1 4.2Å |
| 130 | R | 51.4 | Low | 50.5 | Low | 156 Ų | 156 | 94.9 Ų | 94.9 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.5 | 170 | 174.3 | 177.4 | -179.1 | -176.6 | 1.7 | 110.2 | L97 L99 P132 | L97-R130 WeakPolarHBondContact CB-O 3.39Å; L97-R130 PolarHBondContact N-O 2.73Å; L97-R130 PolarHBondContact O-N 2.73Å; L99-R130 HydrophobicContact CD1-CB 3.64Å; L99-R130 HydrophobicContact CD2-CB 4.21Å; L99-R130 HydrophobicContact CG-CB 3.85Å; R130-P132 VanDerWaalsContact O-CD 3.31Å; R130-P132 WeakPolarHBondContact O-CD 3.36Å |
| 131 | R | 53.2 | Low | 49.4 | Very low | 124 Ų | 124 | 101.8 Ų | 101.8 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | trans | -77.4 | 116.8 | 162.9 | -90.6 | 174 | -72.1 | -161.5 | -3.2 | 110.1 | D96 | D96-R131 WeakPolarHBondContact OD1-CG 3.33Š| ||
| 132 | P | 47.3 | Very low | 48.9 | Very low | 52 Ų | 52 | 104.5 Ų | 104.5 | 34% | 0.338 | 57% | 0.567 | S | S | . | * | trans | -66.7 | 132.9 | 161.4 | 29.7 | -30.3 | 0 | 0 | 0 | 107.5 | G95 L97 R130 E134 | G95-P132 WeakPolarHBondContact O-CD 3.25Å; G95-P132 WeakPolarHBondContact O-CG 3.4Å; L97-P132 HydrophobicContact CD1-CB 4.31Å; L97-P132 HydrophobicContact CD1-CG 4.2Å; L97-P132 HydrophobicContact CG-CG 4.26Å; R130-P132 VanDerWaalsContact O-CD 3.31Å; R130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-E134 PolarHBondContact O-N 3.14Å | ||
| 133 | L | 47.8 | Very low | 48.5 | Very low | 165 Ų | 165 | 108 Ų | 108 | 86% | 0.864 | 58% | 0.578 | S | S | * | * | trans | -69.1 | 104.8 | 177.8 | -163.3 | 76.1 | 0 | 0 | 0 | 108 | T135 | L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 2.76Å | ||
| 134 | E | 44.8 | Very low | 47.8 | Very low | 150 Ų | 150 | 107.6 Ų | 107.6 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | trans | -67.9 | 92 | 173.4 | -72.9 | -163.9 | 122.2 | 0 | 0 | 109.4 | P132 H136 | P132-E134 PolarHBondContact O-N 3.14Å; E134-H136 PolarHBondContact O-N 3.2Å | ||
| 135 | T | 45 | Very low | 47.5 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | trans | -57.2 | 102.2 | 164.1 | -56 | 0 | 0 | 0 | 0 | 107.9 | L133 P137 | L133-T135 VanDerWaalsContact C-N 3.32Å; L133-T135 PolarHBondContact O-N 2.76Å; T135-P137 WeakPolarHBondContact O-CD 3.14Å | ||
| 136 | H | 41.6 | Very low | 47 | Very low | 165 Ų | 165 | 115.6 Ų | 115.6 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | trans | -51.3 | 123.5 | -175.2 | -58.7 | -67.5 | 0 | 0 | 0 | 111.1 | E134 G138 | E134-H136 PolarHBondContact O-N 3.2Å; H136-G138 PolarHBondContact O-N 3.08Å | ||
| 137 | P | 41.7 | Very low | 46.2 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 84% | 0.838 | 66% | 0.655 | S | S | * | * | trans | -70.2 | 89 | 161.5 | 29 | -31 | 0 | 0 | 0 | 107.3 | T135 K139 | T135-P137 WeakPolarHBondContact O-CD 3.14Å; P137-K139 PolarHBondContact O-N 2.85Å | ||
| 138 | G | 35.6 | Very low | 45.1 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | -54.3 | 109.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H136 | H136-G138 PolarHBondContact O-N 3.08Š| ||
| 139 | K | 41.8 | Very low | 44.1 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -75.4 | 122.8 | 174 | -145.9 | 164.5 | -173.2 | 173.2 | 0 | 107.2 | P137 R141 | P137-K139 PolarHBondContact O-N 2.85Å; K139-R141 PolarHBondContact O-N 2.86Å | ||
| 140 | P | 48.8 | Very low | 42.9 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -72.1 | 95.2 | -175.9 | 28.8 | -33.8 | 0 | 0 | 0 | 109.2 | G142 | P140-G142 PolarHBondContact O-N 2.98Š| ||
| 141 | R | 37.7 | Very low | 42.6 | Very low | 226 Ų | 226 | 137.6 Ų | 137.6 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -87.2 | 90.3 | 174.2 | -162.5 | 165 | -152.9 | -96.1 | -2 | 108.7 | K139 V143 | K139-R141 PolarHBondContact O-N 2.86Å; R141-V143 PolarHBondContact O-N 3.48Å | ||
| 142 | G | 47.8 | Very low | 41.7 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -55.8 | 121.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P140 | P140-G142 PolarHBondContact O-N 2.98Š| ||
| 143 | V | 45.9 | Very low | 41.5 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -135.8 | 127.5 | 162.4 | -178.6 | 0 | 0 | 0 | 0 | 105.3 | R141 | R141-V143 PolarHBondContact O-N 3.48Š| ||
| 144 | G | 36.2 | Very low | 41.5 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 159.1 | -155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 145 | E | 38.3 | Very low | 41.2 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -44.9 | 155.3 | 128.6 | -74.6 | -171.9 | 89.2 | 0 | 0 | 111 | |||||
| 146 | P | 47.4 | Very low | 41.6 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -135.5 | 165.8 | 22.5 | 39.1 | -22.9 | 0 | 0 | 0 | 115.6 | ||||
| 147 | R | 37.5 | Very low | 41.1 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | 179.6 | 117.7 | 121.1 | -97.4 | 154.2 | 178.4 | -127.9 | -5.6 | 115.5 | |||||
| 148 | K | 39.2 | Very low | 40.8 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | 7.8 | 132.5 | 144.8 | -66.9 | -170.7 | 172.1 | -169.7 | 0 | 120.5 | ||||
| 149 | G | 35.3 | Very low | 41.4 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 82.2 | 147.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 150 | V | 37.1 | Very low | 41.5 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | cis | -141.7 | 147.2 | 21.4 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 151 | D | 44.4 | Very low | 41 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 134.4 | 171 | 169 | 68.6 | 0 | 0 | 0 | 112.8 | ||||
| 152 | R | 34.8 | Very low | 41 | Very low | 232 Ų | 232 | 133.8 Ų | 133.8 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | 178.9 | 113.2 | 139.8 | -100.9 | 165 | -166.8 | -167.8 | 3.3 | 112.3 | ||||
| 153 | S | 42.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 160.5 | 148.5 | -149.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 154 | P | 47.9 | Very low | 39.8 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | -146.2 | 150 | 78.3 | 39.4 | -21.6 | 0 | 0 | 0 | 116.9 | |||||
| 155 | D | 38 | Very low | 39.7 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 174.1 | 153.6 | -152.1 | -131.4 | 0 | 0 | 0 | 109.7 | ||||
| 156 | P | 53.6 | Low | 39.6 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -135 | 173.1 | 10.7 | 41.4 | -22.7 | 0 | 0 | 0 | 117.1 | ||||
| 157 | G | 32.7 | Very low | 39.1 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -169.6 | 64.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 158 | G | 33.7 | Very low | 39 | Very low | 75 Ų | 75 | 130 Ų | 130 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -80.6 | -168.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 159 | P | 48.9 | Very low | 39 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -129.9 | -177 | 12.2 | 41.5 | -25.2 | 0 | 0 | 0 | 115.6 | ||||
| 160 | E | 43.4 | Very low | 38.9 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -71.6 | -172.8 | 174.1 | -59.4 | -172 | 82.2 | 0 | 0 | 114.7 | ||||
| 161 | V | 38.9 | Very low | 38.7 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 99.2 | 113.6 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 162 | T | 37.4 | Very low | 38.4 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | -141.8 | 147.7 | 51.3 | 46.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 163 | G | 36.4 | Very low | 38.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -98.7 | 129.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 164 | S | 33 | Very low | 38.4 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -169.8 | 118.4 | 154.7 | -93.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 165 | R | 33.3 | Very low | 38.4 | Very low | 225 Ų | 225 | 130.4 Ų | 130.4 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | 73.3 | 128.3 | 126.4 | -58.2 | 176.2 | 102.5 | -165.3 | 5.2 | 121.4 | |||||
| 166 | S | 36.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 86.5 | 107.2 | 138.1 | -61.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 167 | S | 36.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 47.3 | 147 | 106.4 | -46.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 168 | S | 36 | Very low | 38 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | 81.7 | 110.3 | 171.6 | -57.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 169 | T | 38.3 | Very low | 37.9 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | 67.1 | 123 | 63.4 | 70.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 170 | S | 33.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 89.9 | 106.5 | 153.5 | -53.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 171 | L | 33.8 | Very low | 37 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -137.5 | 93.1 | 146.4 | -76.3 | 169.4 | 0 | 0 | 0 | 105.1 | ||||
| 172 | V | 37.8 | Very low | 37 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | 48.4 | 103.8 | 83.3 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 173 | Q | 38.6 | Very low | 36.8 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | -156.1 | 123.5 | 128.1 | -73.4 | -150.1 | 86.1 | 0 | 0 | 110.3 | |||||
| 174 | H | 38.1 | Very low | 36.6 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -116.5 | 149.1 | 165.3 | -90.3 | -66.2 | 0 | 0 | 0 | 106.6 | ||||
| 175 | P | 48 | Very low | 36.7 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | -153.3 | 160 | 81 | 39.3 | -20.8 | 0 | 0 | 0 | 117.2 | |||||
| 176 | P | 44.1 | Very low | 36.4 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -109.6 | 148.1 | 153.2 | 35.9 | -27.7 | 0 | 0 | 0 | 112.2 | ||||
| 177 | S | 34.2 | Very low | 36.2 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -92 | 149.5 | -177.5 | -72 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 178 | R | 37 | Very low | 36.7 | Very low | 231 Ų | 231 | 145.9 Ų | 145.9 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -59.9 | 164.9 | 165.5 | -53.1 | 145.5 | 62.4 | -175.7 | 0.9 | 109.6 | ||||
| 179 | T | 32 | Very low | 36.6 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | cis | -155.8 | 165.3 | 33 | 44.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 180 | T | 36.6 | Very low | 36.6 | Very low | 141 Ų | 141 | 148 Ų | 148 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | -161.1 | 164.4 | 58.2 | 48.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 181 | L | 37.5 | Very low | 36.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -127.8 | 130.9 | -164.1 | 170.1 | 75.5 | 0 | 0 | 0 | 112.7 | ||||
| 182 | K | 38.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 144 Ų | 144 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -153.9 | 109.4 | 147.5 | -48.1 | -73.1 | 170.8 | 169.1 | 0 | 105.9 | ||||
| 183 | K | 33 | Very low | 37.2 | Very low | 181 Ų | 181 | 147 Ų | 147 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | 50.9 | 128.9 | 79.7 | -122.7 | -174.9 | 176.8 | 179.5 | 0 | 111.9 | |||||
| 184 | T | 32.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -162.6 | 133.3 | 33.8 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 185 | R | 34.7 | Very low | 36.9 | Very low | 249 Ų | 249 | 137.9 Ų | 137.9 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | 9.5 | 129 | 145.4 | -167 | -175 | -160.2 | -119.5 | 6 | 120.8 | ||||
| 186 | G | 27.2 | Very low | 36.4 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 146.5 | 119.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 187 | S | 33 | Very low | 35.9 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -121.4 | 172 | 158.6 | -46.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 188 | P | 46.1 | Very low | 35.9 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | cis | -124.6 | -175.2 | -21.3 | 31.4 | -10.4 | 0 | 0 | 0 | 113.1 | ||||
| 189 | E | 34.8 | Very low | 36.3 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | 15.1 | 147.8 | 162.3 | -121.2 | -163.3 | 105.2 | 0 | 0 | 123.3 | S191 | E189-S191 PolarHBondContact OE1-N 3.26Å; E189-S191 PolarHBondContact OE1-OG 3.4Å | ||
| 190 | P | 37.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | -145 | 153.4 | 85.9 | 39.3 | -24 | 0 | 0 | 0 | 117.1 | |||||
| 191 | S | 36.3 | Very low | 36.7 | Very low | 88 Ų | 88 | 131 Ų | 131 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 159.9 | 158.9 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | E189 | E189-S191 PolarHBondContact OE1-N 3.26Å; E189-S191 PolarHBondContact OE1-OG 3.4Å | ||
| 192 | P | 51.3 | Low | 36.5 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | -157.9 | -179.9 | 77.2 | 42.9 | -22.1 | 0 | 0 | 0 | 118.2 | |||||
| 193 | E | 30.6 | Very low | 37.3 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | 65.1 | 148.4 | 153.6 | -80.7 | -175.7 | 90.6 | 0 | 0 | 120.8 | ||||
| 194 | A | 31.6 | Very low | 37.8 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | cis | -162 | 171.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 195 | A | 38.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 69.9 | 147 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 196 | A | 37.7 | Very low | 38.6 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 169.9 | -13.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 197 | D | 34.1 | Very low | 38.9 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | 52.9 | 127.9 | 159.3 | -78.3 | -107.3 | 0 | 0 | 0 | 122.6 | ||||
| 198 | G | 33.2 | Very low | 39.4 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -102 | 165.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 199 | P | 45.8 | Very low | 39 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | -147.7 | 166.8 | 97.8 | 36.8 | -20.2 | 0 | 0 | 0 | 116.9 | |||||
| 200 | T | 41.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -40.5 | 132.4 | 171.5 | -56.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 201 | V | 35 | Very low | 40 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 140.4 | 132.7 | 167.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 202 | S | 34.2 | Very low | 40.6 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -109.2 | -178.4 | 174.8 | -48.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 203 | P | 55.1 | Low | 40.3 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -109.5 | -170.9 | -62.7 | 37.9 | -24.2 | 0 | 0 | 0 | 110.8 | |||||
| 204 | P | 44.1 | Very low | 40.7 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -145.2 | 173.7 | 101.6 | 38.7 | -23.6 | 0 | 0 | 0 | 115.5 | |||||
| 205 | E | 42.2 | Very low | 41.4 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -64.1 | 179.3 | -174.3 | -60 | 155.4 | 78 | 0 | 0 | 116.2 | ||||
| 206 | R | 41.3 | Very low | 41.8 | Very low | 231 Ų | 231 | 144.3 Ų | 144.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | 91.7 | 77.5 | 159.2 | -48 | -163.9 | -63.6 | -112.1 | 7.4 | 117.2 | ||||
| 207 | R | 34.5 | Very low | 42.1 | Very low | 251 Ų | 251 | 143.8 Ų | 143.8 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -136.2 | 138.9 | 130.4 | -75.3 | -159 | -176.5 | -94.3 | -3.3 | 111.5 | ||||
| 208 | A | 41.8 | Very low | 42.3 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -36.2 | 137 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D210 | A208-D210 PolarHBondContact O-N 3.16Š| ||
| 209 | E | 39.4 | Very low | 43 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -57.1 | 125.5 | 158.7 | -63.6 | 162.5 | 97.6 | 0 | 0 | 108.8 | P211 | E209-P211 WeakPolarHBondContact O-CD 3.34Š| ||
| 210 | D | 44.7 | Very low | 42.9 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 108.5 | 167.9 | -177.4 | -95.3 | 0 | 0 | 0 | 108 | A208 N212 | A208-D210 PolarHBondContact O-N 3.16Å; D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact O-N 2.86Å | ||
| 211 | P | 48.1 | Very low | 43.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -95.4 | 51.4 | -175.3 | 38 | -34.9 | 0 | 0 | 0 | 111.2 | E209 | E209-P211 WeakPolarHBondContact O-CD 3.34Š| ||
| 212 | N | 48.4 | Very low | 43.9 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 67% | 0.674 | 80% | 0.795 | S | S | * | * | trans | -118 | 60.2 | 179.2 | -169.2 | 75.9 | 0 | 0 | 0 | 113 | D210 | D210-N212 VanDerWaalsContact C-N 3.32Å; D210-N212 PolarHBondContact O-N 2.86Å | ||
| 213 | D | 45.3 | Very low | 44.9 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 59.8 | 162.3 | -107.9 | -30.6 | 0 | 0 | 0 | 113.3 | ||||
| 214 | Q | 38.8 | Very low | 44.9 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -142 | 101.8 | 161.6 | -76.4 | -168.7 | 78.2 | 0 | 0 | 112.1 | ||||
| 215 | I | 45.3 | Very low | 45.1 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -125.3 | 122.9 | 162.7 | -69.2 | 174 | 0 | 0 | 0 | 104.2 | ||||
| 216 | P | 46.7 | Very low | 46 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -150.9 | 159.5 | 72.9 | 38.4 | -18.8 | 0 | 0 | 0 | 118 | |||||
| 217 | G | 44.2 | Very low | 46.7 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 94.8 | 80.3 | 146 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 218 | S | 39.7 | Very low | 47.6 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -159.8 | 123.4 | 144.3 | -82.4 | 0 | 0 | 0 | 0 | 109.6 | G220 | S218-G220 PolarHBondContact O-N 2.7Š| ||
| 219 | P | 46.3 | Very low | 48.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 119.7 | 159.3 | -13.2 | 28.1 | 0 | 0 | 0 | 106.9 | ||||
| 220 | G | 45 | Very low | 49.4 | Very low | 45 Ų | 45 | 128 Ų | 128 | 46% | 0.464 | 72% | 0.715 | S | S | . | * | trans | -56.6 | 159.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S218 W222 | S218-G220 PolarHBondContact O-N 2.7Å; G220-W222 VanDerWaalsContact C-N 3.31Å; G220-W222 PolarHBondContact O-N 2.82Å | ||
| 221 | P | 49.8 | Very low | 49.9 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -67.2 | 91.6 | -179.4 | 29.2 | -34.7 | 0 | 0 | 0 | 109.8 | L223 | P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.14Å | ||
| 222 | W | 47.8 | Very low | 50.3 | Low | 221 Ų | 221 | 126.5 Ų | 126.5 | 84% | 0.837 | 69% | 0.686 | S | S | * | * | trans | -47.8 | 122.3 | 159.3 | -65.8 | 98.7 | 0 | 0 | 0 | 106.8 | G220 V224 | G220-W222 VanDerWaalsContact C-N 3.31Å; G220-W222 PolarHBondContact O-N 2.82Å; W222-V224 VanDerWaalsContact C-N 3.35Å; W222-V224 PolarHBondContact O-N 3.4Å | ||
| 223 | L | 53.4 | Low | 50.7 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -55.1 | 99.5 | -172.7 | -81.4 | 81.6 | 0 | 0 | 0 | 109.5 | P221 P225 | P221-L223 PolarHBondContact O-N 3.36Å; P221-L223 VanDerWaalsContact O-N 3.14Å; L223-P225 WeakPolarHBondContact O-CD 3.48Å; L223-P225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | V | 55.3 | Low | 51.2 | Low | 128 Ų | 128 | 123.4 Ų | 123.4 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -61 | 113.3 | 164.5 | 178.8 | 0 | 0 | 0 | 0 | 104.6 | W222 S226 | W222-V224 VanDerWaalsContact C-N 3.35Å; W222-V224 PolarHBondContact O-N 3.4Å; V224-S226 PolarHBondContact O-N 3.39Å | ||
| 225 | P | 47.8 | Very low | 52.1 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 40% | 0.403 | 67% | 0.671 | S | S | . | * | trans | -62.6 | 119.7 | 177 | -17 | 31.6 | 0 | 0 | 0 | 106.3 | L223 E227 R229 L230 | L223-P225 WeakPolarHBondContact O-CD 3.48Å; L223-P225 VanDerWaalsContact O-N 3.1Å; P225-E227 PolarHBondContact O-N 2.97Å; P225-R229 HydrophobicContact CB-CB 4.42Å; P225-L230 HydrophobicContact CB-CD2 4.1Å; P225-L230 HydrophobicContact CB-CG 4.21Å; P225-L230 HydrophobicContact CG-CD2 4.44Å | ||
| 226 | S | 61.7 | Low | 52.8 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 51% | 0.51 | 66% | 0.657 | S | S | . | * | trans | -47 | 143.6 | 179.8 | -33.7 | 0 | 0 | 0 | 0 | 109.8 | V224 E228 R229 L230 | V224-S226 PolarHBondContact O-N 3.39Å; S226-E228 PolarHBondContact O-N 3.08Å; S226-R229 WeakPolarHBondContact O-CA 3.36Å; S226-R229 WeakPolarHBondContact O-CB 3.45Å; S226-R229 PolarHBondContact O-N 2.9Å; S226-L230 PolarHBondContact O-N 3.41Å; S226-L230 VanDerWaalsContact O-N 3.15Å | ||
| 227 | E | 57.3 | Low | 53.2 | Low | 156 Ų | 156 | 115.1 Ų | 115.1 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -52.4 | -31.7 | -178.5 | -169.4 | 176.3 | 113.7 | 0 | 0 | 112.5 | P225 L230 S231 | P225-E227 PolarHBondContact O-N 2.97Å; E227-L230 PolarHBondContact O-N 3.04Å; E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.47Å; E227-S231 PolarHBondContact O-OG 3Å |
| 228 | E | 52.5 | Low | 53.8 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.1 | -38.2 | 171.9 | -166.8 | 177.7 | 100.2 | 0 | 0 | 114.1 | S226 R232 | S226-E228 PolarHBondContact O-N 3.08Å; E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 WeakPolarHBondContact O-CG 3.39Å; E228-R232 PolarHBondContact O-N 2.97Å |
| 229 | R | 61.1 | Low | 54.6 | Low | 159 Ų | 159 | 111 Ų | 111 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.2 | -39.1 | 173.5 | -68.6 | -172.1 | 66.3 | 179.8 | -0.5 | 111.7 | P225 S226 A233 | P225-R229 HydrophobicContact CB-CB 4.42Å; S226-R229 WeakPolarHBondContact O-CA 3.36Å; S226-R229 WeakPolarHBondContact O-CB 3.45Å; S226-R229 PolarHBondContact O-N 2.9Å; R229-A233 WeakPolarHBondContact O-CB 3.42Å; R229-A233 PolarHBondContact O-N 2.9Å |
| 230 | L | 57 | Low | 55.2 | Low | 85 Ų | 85 | 108.8 Ų | 108.8 | 45% | 0.445 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | 174.5 | -66.6 | 174.8 | 0 | 0 | 0 | 110.8 | P225 S226 E227 A233 L234 | P225-L230 HydrophobicContact CB-CD2 4.1Å; P225-L230 HydrophobicContact CB-CG 4.21Å; P225-L230 HydrophobicContact CG-CD2 4.44Å; S226-L230 PolarHBondContact O-N 3.41Å; S226-L230 VanDerWaalsContact O-N 3.15Å; E227-L230 PolarHBondContact O-N 3.04Å; L230-A233 PolarHBondContact O-N 3.49Å; L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 3.08Å |
| 231 | S | 55.5 | Low | 55.8 | Low | 26 Ų | 26 | 111.7 Ų | 111.7 | 18% | 0.182 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | E227 L234 G235 V236 | E227-S231 WeakPolarHBondContact O-CB 3.38Å; E227-S231 PolarHBondContact O-N 3.47Å; E227-S231 PolarHBondContact O-OG 3Å; S231-L234 PolarHBondContact O-N 3.36Å; S231-G235 PolarHBondContact O-N 2.97Å; S231-G235 VanDerWaalsContact O-N 3.11Å; S231-V236 PolarHBondContact O-N 3.48Å; S231-V236 VanDerWaalsContact O-N 3.16Å |
| 232 | R | 57.5 | Low | 56.1 | Low | 204 Ų | 204 | 110.6 Ų | 110.6 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 173.6 | -78.3 | -175.8 | 176.8 | -154.8 | 2.2 | 113.1 | E228 G235 | E228-R232 WeakPolarHBondContact O-CB 3.43Å; E228-R232 WeakPolarHBondContact O-CG 3.39Å; E228-R232 PolarHBondContact O-N 2.97Å; R232-G235 PolarHBondContact O-N 2.94Å |
| 233 | A | 56.1 | Low | 56.7 | Low | 88 Ų | 88 | 103 Ų | 103 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70 | -31.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R229 L230 | R229-A233 WeakPolarHBondContact O-CB 3.42Å; R229-A233 PolarHBondContact O-N 2.9Å; L230-A233 PolarHBondContact O-N 3.49Å |
| 234 | L | 57.1 | Low | 57 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -86.9 | -4.9 | 177.7 | -66.4 | 170.3 | 0 | 0 | 0 | 113.5 | L230 S231 V236 | L230-L234 WeakPolarHBondContact O-CB 3.42Å; L230-L234 VanDerWaalsContact O-CG 3.31Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 3.08Å; S231-L234 PolarHBondContact O-N 3.36Å; L234-V236 HydrophobicContact CB-CG2 4.06Å; L234-V236 PolarHBondContact O-N 3.25Å |
| 235 | G | 57.3 | Low | 57.1 | Low | 70 Ų | 70 | 101 Ų | 101 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.4 | 10.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S231 R232 | S231-G235 PolarHBondContact O-N 2.97Å; S231-G235 VanDerWaalsContact O-N 3.11Å; R232-G235 PolarHBondContact O-N 2.94Å |
| 236 | V | 60.3 | Low | 57.7 | Low | 93 Ų | 93 | 105 Ų | 105 | 56% | 0.564 | 57% | 0.571 | S | S | * | * | trans | -87.8 | 122.7 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | S231 L234 G238 | S231-V236 PolarHBondContact O-N 3.48Å; S231-V236 VanDerWaalsContact O-N 3.16Å; L234-V236 HydrophobicContact CB-CG2 4.06Å; L234-V236 PolarHBondContact O-N 3.25Å; V236-G238 PolarHBondContact O-N 3.37Å; V236-G238 VanDerWaalsContact O-N 3.08Å | ||
| 237 | R | 55.1 | Low | 57.6 | Low | 154 Ų | 154 | 105.1 Ų | 105.1 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | trans | -57.9 | 114.8 | 169.4 | -91.7 | -174.8 | 173.1 | -176.7 | -0.2 | 108.5 | E245 | R237-E245 IonicContact CZ-OE1 2.68Å; R237-E245 IonicContact CZ-OE2 3.02Å; R237-E245 IonicContact NH1-OE1 3.88Å; R237-E245 PolarHBondContact NH1-OE1 2.92Å; R237-E245 IonicContact NH1-OE2 2.82Å; R237-E245 PolarHBondContact NH1-OE2 2.84Å; R237-E245 IonicContact NH2-OE1 3.1Å | ||
| 238 | G | 55.5 | Low | 57.7 | Low | 22 Ų | 22 | 101.5 Ų | 101.5 | 23% | 0.227 | 57% | 0.574 | C | S | . | * | trans | -61 | 148.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | V236 A240 Q241 L242 | V236-G238 PolarHBondContact O-N 3.37Å; V236-G238 VanDerWaalsContact O-N 3.08Å; G238-A240 PolarHBondContact O-N 3.03Å; G238-A240 VanDerWaalsContact O-N 3.08Å; G238-Q241 PolarHBondContact O-N 3.42Å; G238-L242 PolarHBondContact O-N 2.9Å | ||
| 239 | A | 57.5 | Low | 58 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -56.5 | -30.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q241 L242 A243 | A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 3.45Å; A239-L242 PolarHBondContact O-N 2.72Å; A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 2.95Å |
| 240 | A | 57.7 | Low | 58 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 61% | 0.612 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.7 | -36.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G238 A243 Q244 | G238-A240 PolarHBondContact O-N 3.03Å; G238-A240 VanDerWaalsContact O-N 3.08Å; A240-A243 PolarHBondContact O-N 3.27Å; A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.1Å |
| 241 | Q | 58.2 | Low | 58 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -77.2 | -35.3 | 179.4 | -166.9 | 164.4 | 1.4 | 0 | 0 | 111.5 | G238 A239 A243 Q244 E245 | G238-Q241 PolarHBondContact O-N 3.42Å; A239-Q241 VanDerWaalsContact C-N 3.32Å; A239-Q241 PolarHBondContact O-N 3.45Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q241-E245 WeakPolarHBondContact O-CB 3.42Å; Q241-E245 PolarHBondContact O-N 3.47Å |
| 242 | L | 57.1 | Low | 58.1 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.3 | -40.3 | 169.5 | -176.1 | 68.1 | 0 | 0 | 0 | 111.3 | G238 A239 E245 M246 | G238-L242 PolarHBondContact O-N 2.9Å; A239-L242 PolarHBondContact O-N 2.72Å; L242-E245 PolarHBondContact O-N 2.88Å; L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 3.37Å |
| 243 | A | 60.3 | Low | 57.6 | Low | 61 Ų | 61 | 120.7 Ų | 120.7 | 50% | 0.504 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A239 A240 Q241 A247 | A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 2.95Å; A240-A243 PolarHBondContact O-N 3.27Å; Q241-A243 VanDerWaalsContact C-N 3.33Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.4Å |
| 244 | Q | 59.1 | Low | 57.7 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 66% | 0.659 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.9 | -39.8 | 174.3 | -75.5 | 176.9 | -10.7 | 0 | 0 | 112.5 | A240 Q241 A247 A248 | A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.1Å; Q241-Q244 PolarHBondContact O-N 2.93Å; Q244-A247 PolarHBondContact O-N 3.06Å; Q244-A248 WeakPolarHBondContact O-CB 3.35Å; Q244-A248 PolarHBondContact O-N 3.23Å |
| 245 | E | 56.8 | Low | 57.8 | Low | 97 Ų | 97 | 121.7 Ų | 121.7 | 45% | 0.453 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -66.1 | -42.7 | 176.6 | -165.7 | 166.3 | -150.3 | 0 | 0 | 111.4 | R237 Q241 L242 A247 A248 G249 | R237-E245 IonicContact CZ-OE1 2.68Å; R237-E245 IonicContact CZ-OE2 3.02Å; R237-E245 IonicContact NH1-OE1 3.88Å; R237-E245 PolarHBondContact NH1-OE1 2.92Å; R237-E245 IonicContact NH1-OE2 2.82Å; R237-E245 PolarHBondContact NH1-OE2 2.84Å; R237-E245 IonicContact NH2-OE1 3.1Å; Q241-E245 WeakPolarHBondContact O-CB 3.42Å; Q241-E245 PolarHBondContact O-N 3.47Å; L242-E245 PolarHBondContact O-N 2.88Å; E245-A247 PolarHBondContact O-N 2.92Å; E245-A248 PolarHBondContact O-N 3.44Å; E245-G249 PolarHBondContact O-N 3.03Å; E245-G249 VanDerWaalsContact O-N 3.08Å |
| 246 | M | 60.4 | Low | 57.8 | Low | 144 Ų | 144 | 124.6 Ų | 124.6 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.1 | -36.7 | 173.3 | -71.7 | -86.4 | -80 | 0 | 0 | 113 | L242 | L242-M246 WeakPolarHBondContact O-CB 3.45Å; L242-M246 WeakPolarHBondContact O-CG 3.35Å; L242-M246 PolarHBondContact O-N 3.37Å |
| 247 | A | 59.3 | Low | 57.6 | Low | 77 Ų | 77 | 126.5 Ų | 126.5 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.6 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A243 Q244 E245 | A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.4Å; Q244-A247 PolarHBondContact O-N 3.06Å; E245-A247 PolarHBondContact O-N 2.92Å |
| 248 | A | 60.9 | Low | 57.8 | Low | 80 Ų | 80 | 124.8 Ų | 124.8 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.7 | -26.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q244 E245 R250 | Q244-A248 WeakPolarHBondContact O-CB 3.35Å; Q244-A248 PolarHBondContact O-N 3.23Å; E245-A248 PolarHBondContact O-N 3.44Å; A248-R250 VanDerWaalsContact C-N 3.28Å; A248-R250 PolarHBondContact O-N 3.01Å |
| 249 | G | 58.3 | Low | 57.9 | Low | 58 Ų | 58 | 131.6 Ų | 131.6 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -13.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | E245 R251 | E245-G249 PolarHBondContact O-N 3.03Å; E245-G249 VanDerWaalsContact O-N 3.08Å; G249-R251 VanDerWaalsContact C-N 3.35Å; G249-R251 PolarHBondContact O-N 3.07Å |
| 250 | R | 60.2 | Low | 58 | Low | 231 Ų | 231 | 135.7 Ų | 135.7 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89.3 | 29.9 | -173 | -97.7 | -174.9 | 175.4 | -106.9 | 1.6 | 115.8 | A248 | A248-R250 VanDerWaalsContact C-N 3.28Å; A248-R250 PolarHBondContact O-N 3.01Å |
| 251 | R | 58.2 | Low | 58 | Low | 235 Ų | 235 | 140.5 Ų | 140.5 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -137.2 | 46.1 | 174.3 | -81.8 | -160.4 | -177.4 | -99.2 | 6.8 | 115.2 | G249 | G249-R251 VanDerWaalsContact C-N 3.35Å; G249-R251 PolarHBondContact O-N 3.07Å |
| 252 | R | 56.3 | Low | 58 | Low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 72% | 0.717 | S | S | * | * | trans | -143 | 136.9 | 149.6 | -67.4 | -165 | -174.4 | -83.8 | -4.5 | 110 | ||||
| 253 | H | 48.9 | Very low | 58.1 | Low | 267 Ų | 267 | 146.9 Ų | 146.9 | 100% | 1.236 | 73% | 0.733 | S | S | * | * | trans | 73.4 | 0 | -171 | -54.1 | -74.4 | 0 | 0 | 0 | 114 |
Retrieved 253 of 253 residues in 228.9 ms
(Link to these results)