| 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 | 43.2 | Very low | 47.2 | Very low | 238 Ų | 238 | 153.2 Ų | 153.2 | 100% | 1.172 | 82% | 0.823 | S | S | * | * | 0 | 90.2 | 0 | -88.6 | 168.2 | 77.5 | 0 | 0 | 107.1 | |||||
| 2 | D | 41.8 | Very low | 46.7 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -62.6 | 142.4 | 177.2 | -50.8 | -94.4 | 0 | 0 | 0 | 110.7 | ||||
| 3 | S | 53.9 | Low | 46.4 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -156.6 | 87.8 | 156.9 | -74 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | D | 50.3 | Low | 46 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -62.6 | 134.8 | 155.7 | -127.4 | -57.4 | 0 | 0 | 0 | 108.8 | ||||
| 5 | T | 52.8 | Low | 46.4 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -148.1 | 91.8 | 163 | -16.2 | 0 | 0 | 0 | 0 | 110.5 | R7 | T5-R7 PolarHBondContact O-N 3.43Š| ||
| 6 | S | 46 | Very low | 46.2 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | -24.1 | 118.3 | 160.8 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | V8 | S6-V8 PolarHBondContact O-N 3.47Š| ||
| 7 | R | 46.4 | Very low | 46.4 | Very low | 254 Ų | 254 | 141.6 Ų | 141.6 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -85.2 | 85.2 | 161.5 | -77 | -173.3 | 167.9 | 149.8 | -1.2 | 108.9 | T5 | T5-R7 PolarHBondContact O-N 3.43Š| ||
| 8 | V | 45.5 | Very low | 46.4 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -68.1 | 127.2 | 169.7 | 128.6 | 0 | 0 | 0 | 0 | 110 | S6 S10 | S6-V8 PolarHBondContact O-N 3.47Å; V8-S10 PolarHBondContact O-N 3.15Å | ||
| 9 | S | 49.1 | Very low | 46.3 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -46.8 | 117.6 | 169.5 | 161.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 10 | S | 41.4 | Very low | 46.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -98.8 | 84 | 167.2 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | V8 | V8-S10 PolarHBondContact O-N 3.15Š| ||
| 11 | R | 49.1 | Very low | 46.7 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -83 | 128.6 | 157.9 | -78.2 | -178.3 | 171.1 | -144.3 | -1 | 107.3 | S13 | R11-S13 PolarHBondContact O-N 3.01Š| ||
| 12 | P | 41.3 | Very low | 46.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 113.3 | 166.4 | 26.9 | -28.9 | 0 | 0 | 0 | 108.9 | S14 | P12-S14 PolarHBondContact O-N 3.11Å; P12-S14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | S | 42.1 | Very low | 47.1 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -67.6 | 103.3 | 170.7 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | R11 | R11-S13 PolarHBondContact O-N 3.01Š| ||
| 14 | S | 40.9 | Very low | 47.1 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 128.9 | 166 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | P12 E16 | P12-S14 PolarHBondContact O-N 3.11Å; P12-S14 VanDerWaalsContact O-N 3.12Å; S14-E16 PolarHBondContact O-N 3.1Å |
| 15 | P | 52.5 | Low | 47.2 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.7 | 171.4 | 25.7 | -30.6 | 0 | 0 | 0 | 109.4 | V17 | P15-V17 PolarHBondContact O-N 2.95Š|
| 16 | E | 42.5 | Very low | 46.9 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.5 | 174.4 | -75.8 | 179.7 | 103.4 | 0 | 0 | 109.9 | S14 D18 | S14-E16 PolarHBondContact O-N 3.1Å; E16-D18 PolarHBondContact O-N 2.96Å |
| 17 | V | 50.2 | Low | 46.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -1.7 | 176.8 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | P15 | P15-V17 PolarHBondContact O-N 2.95Š|
| 18 | D | 45.9 | Very low | 46.7 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 60% | 0.599 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.5 | -28.3 | -173.7 | -70.4 | -71.2 | 0 | 0 | 0 | 113.6 | E16 M22 | E16-D18 PolarHBondContact O-N 2.96Å; D18-M22 PolarHBondContact O-N 3.1Å |
| 19 | D | 44.2 | Very low | 46.9 | Very low | 114 Ų | 114 | 123 Ų | 123 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76.3 | -27.5 | -179.8 | -93.4 | -52.5 | 0 | 0 | 0 | 113.7 | S23 | D19-S23 WeakPolarHBondContact O-CB 3.32Å; D19-S23 PolarHBondContact O-N 3.1Å; D19-S23 PolarHBondContact O-OG 2.86Å |
| 20 | I | 51.8 | Low | 46.9 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 64% | 0.641 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.1 | -42.5 | -179.9 | -65 | 169.2 | 0 | 0 | 0 | 110.1 | S23 T24 | I20-S23 PolarHBondContact O-N 3.04Å; I20-T24 PolarHBondContact O-N 3.31Å; I20-T24 PolarHBondContact O-OG1 3.4Å |
| 21 | F | 49.6 | Very low | 47.2 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.4 | -32.9 | -175.6 | -158 | -98.2 | 0 | 0 | 0 | 112.8 | L25 | F21-L25 HydrophobicContact CD1-CD1 4.27Å; F21-L25 HydrophobicContact CE1-CD1 4.03Å |
| 22 | M | 46.7 | Very low | 46.9 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 43% | 0.429 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -73.3 | -28.2 | 176.1 | -76.5 | -105.1 | 79.4 | 0 | 0 | 113 | D18 | D18-M22 PolarHBondContact O-N 3.1Å |
| 23 | S | 47 | Very low | 46.9 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -76.8 | -36.9 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | D19 I20 L25 K26 K27 | D19-S23 WeakPolarHBondContact O-CB 3.32Å; D19-S23 PolarHBondContact O-N 3.1Å; D19-S23 PolarHBondContact O-OG 2.86Å; I20-S23 PolarHBondContact O-N 3.04Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.01Å; S23-K26 PolarHBondContact O-N 3.25Å; S23-K27 PolarHBondContact O-N 2.9Å |
| 24 | T | 53.2 | Low | 46.7 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.9 | -31.9 | 178 | -50.8 | 0 | 0 | 0 | 0 | 112.5 | I20 | I20-T24 PolarHBondContact O-N 3.31Å; I20-T24 PolarHBondContact O-OG1 3.4Å |
| 25 | L | 53.5 | Low | 46.7 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 51% | 0.513 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -78.8 | -21.4 | 178 | -74.5 | 164.5 | 0 | 0 | 0 | 113.7 | F21 S23 | F21-L25 HydrophobicContact CD1-CD1 4.27Å; F21-L25 HydrophobicContact CE1-CD1 4.03Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.01Å |
| 26 | K | 46.8 | Very low | 46 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 74% | 0.735 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.4 | -18 | 176.7 | -76.9 | 177.8 | 179.1 | 169.1 | 0 | 113.6 | S23 | S23-K26 PolarHBondContact O-N 3.25Å |
| 27 | K | 44.3 | Very low | 45.7 | Very low | 186 Ų | 186 | 120.8 Ų | 120.8 | 81% | 0.809 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 3.8 | -179.5 | -159.7 | 69.6 | 177.5 | -176.1 | 0 | 114.3 | S23 | S23-K27 PolarHBondContact O-N 2.9Š|
| 28 | S | 43.9 | Very low | 45.4 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 3.4 | -177.7 | -170.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 29 | V | 48.7 | Very low | 45.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -106.7 | 19.2 | -177.4 | -174 | 0 | 0 | 0 | 0 | 112.5 | ||
| 30 | H | 49.5 | Very low | 45.6 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -141.7 | 94.6 | 166 | -76.9 | 80.5 | 0 | 0 | 0 | 109.2 | ||
| 31 | G | 47.9 | Very low | 45.3 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 115.8 | 81.4 | 166 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 32 | F | 42.2 | Very low | 44.4 | Very low | 195 Ų | 195 | 125.4 Ų | 125.4 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -167.6 | 74.3 | 134.6 | -164.9 | -105.9 | 0 | 0 | 0 | 109.3 | G34 | F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 2.97Å; F32-G34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | S | 41.8 | Very low | 44.4 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 86.3 | 157.7 | -73 | 0 | 0 | 0 | 0 | 107.6 | A35 | S33-A35 VanDerWaalsContact C-N 3.33Å; S33-A35 PolarHBondContact O-N 3.14Å | ||
| 34 | G | 37.4 | Very low | 44.4 | Very low | 51 Ų | 51 | 128.4 Ų | 128.4 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | trans | -83.7 | 79.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F32 V36 | F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 2.97Å; F32-G34 VanDerWaalsContact O-N 3.17Å; G34-V36 PolarHBondContact O-N 3.06Å | ||
| 35 | A | 40.4 | Very low | 44.1 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S33 S37 | S33-A35 VanDerWaalsContact C-N 3.33Å; S33-A35 PolarHBondContact O-N 3.14Å; A35-S37 PolarHBondContact O-N 3.3Å |
| 36 | V | 38.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 133 Ų | 133 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.9 | 165.4 | -77.1 | 0 | 0 | 0 | 0 | 108 | G34 S38 | G34-V36 PolarHBondContact O-N 3.06Å; V36-S38 PolarHBondContact O-N 3.24Å |
| 37 | S | 35.8 | Very low | 43.5 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.2 | 168.4 | -84.9 | 0 | 0 | 0 | 0 | 109.6 | A35 | A35-S37 PolarHBondContact O-N 3.3Š|
| 38 | S | 45 | Very low | 43.6 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -124.9 | 122.4 | 150.5 | -76.7 | 0 | 0 | 0 | 0 | 106.9 | V36 Q40 | V36-S38 PolarHBondContact O-N 3.24Å; S38-Q40 PolarHBondContact O-N 3.49Å | ||
| 39 | T | 55.2 | Low | 43.4 | Very low | 127 Ų | 127 | 128 Ų | 128 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -58.4 | 119.4 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | Q | 38.7 | Very low | 43.6 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 134.5 | 135.6 | -106.2 | 160.2 | 94.6 | 0 | 0 | 111.7 | S38 | S38-Q40 PolarHBondContact O-N 3.49Š| ||
| 41 | S | 44.3 | Very low | 43.4 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -51 | 143.2 | 175.8 | -26.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 42 | D | 30.9 | Very low | 43.2 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | 168.6 | 134.7 | 116.1 | -159.5 | 38.8 | 0 | 0 | 0 | 109.5 | |||||
| 43 | S | 47.4 | Very low | 43.5 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -84.9 | 150 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 44 | P | 47.2 | Very low | 44 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -143.6 | 148.9 | 112 | 31.7 | -14.9 | 0 | 0 | 0 | 114.4 | |||||
| 45 | S | 45.8 | Very low | 44.8 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 127.1 | 172.4 | -54 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 46 | E | 36.8 | Very low | 45.5 | Very low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -143 | 128.4 | 162.2 | -75.7 | -75.5 | 113.3 | 0 | 0 | 109.8 | ||||
| 47 | I | 51.5 | Low | 46.3 | Very low | 160 Ų | 160 | 125.7 Ų | 125.7 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -81.6 | 140.5 | 174.5 | -57.3 | 180 | 0 | 0 | 0 | 108.8 | ||||
| 48 | P | 47.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -139 | 137 | 135.2 | 11.4 | 11.6 | 0 | 0 | 0 | 111.4 | ||||
| 49 | G | 38.3 | Very low | 48 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | cis | 93.7 | 88 | 44.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R51 | G49-R51 PolarHBondContact O-N 2.92Š| ||
| 50 | L | 53 | Low | 48.4 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -58.6 | 117 | 176.3 | -74 | 162.2 | 0 | 0 | 0 | 111.9 | ||||
| 51 | R | 45.8 | Very low | 49.5 | Very low | 248 Ų | 248 | 118.1 Ų | 118.1 | 94% | 0.936 | 70% | 0.699 | S | S | * | * | trans | -169.9 | 133 | 145.7 | -138.3 | 167.1 | -84.2 | -119.9 | 0.9 | 113.5 | G49 | G49-R51 PolarHBondContact O-N 2.92Š| ||
| 52 | G | 44.4 | Very low | 50.4 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | 90.4 | 96.6 | 149 | 0 | 0 | 0 | 0 | 0 | 116.4 | S54 | G52-S54 PolarHBondContact O-N 2.92Š| ||
| 53 | L | 47.2 | Very low | 52 | Low | 155 Ų | 155 | 113.2 Ų | 113.2 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | trans | -72.5 | 115.2 | 159.1 | -54.8 | 177.3 | 0 | 0 | 0 | 106.9 | ||||
| 54 | S | 52.4 | Low | 52.7 | Low | 59 Ų | 59 | 117.1 Ų | 117.1 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | trans | -83.1 | 153.2 | 178.5 | 81.9 | 0 | 0 | 0 | 0 | 109.7 | G52 A56 D57 | G52-S54 PolarHBondContact O-N 2.92Å; S54-A56 PolarHBondContact O-N 2.9Å; S54-A56 PolarHBondContact OG-N 3.39Å; S54-D57 PolarHBondContact N-OD2 3.09Å; S54-D57 VanDerWaalsContact N-OD2 3.08Å; S54-D57 WeakPolarHBondContact O-CB 3.22Å; S54-D57 PolarHBondContact O-N 2.91Å; S54-D57 PolarHBondContact OG-OD2 2.93Å | ||
| 55 | A | 54.7 | Low | 53.3 | Low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -56.2 | -20.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E59 | A55-E59 PolarHBondContact O-N 3.22Å |
| 56 | A | 56 | Low | 53.9 | Low | 61 Ų | 61 | 113 Ų | 113 | 50% | 0.504 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.2 | -26.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S54 A60 | S54-A56 PolarHBondContact O-N 2.9Å; S54-A56 PolarHBondContact OG-N 3.39Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.49Å; A56-A60 PolarHBondContact O-N 3.21Å |
| 57 | D | 55.3 | Low | 54.9 | Low | 86 Ų | 86 | 108.3 Ų | 108.3 | 46% | 0.46 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -74.7 | -34.7 | 177 | -61.6 | -62.2 | 0 | 0 | 0 | 111.3 | S54 L61 | S54-D57 PolarHBondContact N-OD2 3.09Å; S54-D57 VanDerWaalsContact N-OD2 3.08Å; S54-D57 WeakPolarHBondContact O-CB 3.22Å; S54-D57 PolarHBondContact O-N 2.91Å; S54-D57 PolarHBondContact OG-OD2 2.93Å; D57-L61 WeakPolarHBondContact O-CB 3.47Å; D57-L61 PolarHBondContact O-N 3.29Å |
| 58 | E | 57.8 | Low | 55.1 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.3 | -39.6 | 173 | -67.1 | -68.6 | 122.5 | 0 | 0 | 111.3 | L61 A62 | E58-L61 PolarHBondContact O-N 3.03Å; E58-A62 VanDerWaalsContact O-CB 3.22Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.86Å |
| 59 | E | 58.8 | Low | 55.1 | Low | 136 Ų | 136 | 109.6 Ų | 109.6 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.7 | -39.7 | 176 | -169.8 | 165.8 | 172.1 | 0 | 0 | 112.2 | A55 A62 L63 | A55-E59 PolarHBondContact O-N 3.22Å; E59-A62 PolarHBondContact O-N 3Å; E59-L63 HydrophobicContact CG-CD1 4.42Å; E59-L63 WeakPolarHBondContact O-CB 3.49Å; E59-L63 VanDerWaalsContact O-CG 3.32Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.13Å |
| 60 | A | 62.5 | Low | 55.7 | Low | 51 Ų | 51 | 112.2 Ų | 112.2 | 42% | 0.421 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.6 | -36.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A56 R64 | A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.49Å; A56-A60 PolarHBondContact O-N 3.21Å; A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 WeakPolarHBondContact O-CG 3.29Å; A60-R64 PolarHBondContact O-N 3.43Å |
| 61 | L | 63.1 | Low | 55.8 | Low | 91 Ų | 91 | 111.1 Ų | 111.1 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.3 | -39.3 | 173.3 | -165.1 | 76.7 | 0 | 0 | 0 | 110.9 | D57 E58 R64 M65 | D57-L61 WeakPolarHBondContact O-CB 3.47Å; D57-L61 PolarHBondContact O-N 3.29Å; E58-L61 PolarHBondContact O-N 3.03Å; L61-R64 CarbonylContact O-C 3.57Å; L61-R64 PolarHBondContact O-N 2.92Å; L61-M65 HydrophobicContact CD1-CE 4.5Å; L61-M65 HydrophobicContact CG-CG 4.45Å; L61-M65 VanDerWaalsContact O-CB 3.28Å; L61-M65 WeakPolarHBondContact O-CB 3.29Å; L61-M65 WeakPolarHBondContact O-CG 3.34Å; L61-M65 PolarHBondContact O-N 2.75Å |
| 62 | A | 63.3 | Low | 56.6 | Low | 58 Ų | 58 | 107.8 Ų | 107.8 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E58 E59 M65 A66 | E58-A62 VanDerWaalsContact O-CB 3.22Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 2.86Å; E59-A62 PolarHBondContact O-N 3Å; A62-M65 PolarHBondContact O-N 3.3Å; A62-A66 VanDerWaalsContact O-CB 3.26Å; A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.76Å |
| 63 | L | 64.5 | Low | 57.5 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 60% | 0.602 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -38 | 173.1 | -72.7 | 166.7 | 0 | 0 | 0 | 112 | E59 S67 | E59-L63 HydrophobicContact CG-CD1 4.42Å; E59-L63 WeakPolarHBondContact O-CB 3.49Å; E59-L63 VanDerWaalsContact O-CG 3.32Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.13Å; L63-S67 VanDerWaalsContact O-CB 3.29Å; L63-S67 WeakPolarHBondContact O-CB 3.26Å; L63-S67 PolarHBondContact O-N 2.82Å |
| 64 | R | 61.7 | Low | 58.6 | Low | 185 Ų | 185 | 108.5 Ų | 108.5 | 70% | 0.698 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.4 | -33.4 | 172.5 | -82.7 | -176.6 | 163.9 | -175.1 | -1.5 | 112.9 | A60 L61 K68 | A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 WeakPolarHBondContact O-CG 3.29Å; A60-R64 PolarHBondContact O-N 3.43Å; L61-R64 CarbonylContact O-C 3.57Å; L61-R64 PolarHBondContact O-N 2.92Å; R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 VanDerWaalsContact O-CG 3.29Å; R64-K68 WeakPolarHBondContact O-CG 3.28Å; R64-K68 PolarHBondContact O-N 2.88Å |
| 65 | M | 60 | Low | 60.3 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.7 | -34.3 | 176.1 | -73.4 | -67.5 | 164.3 | 0 | 0 | 111.7 | L61 A62 K68 K69 | L61-M65 HydrophobicContact CD1-CE 4.5Å; L61-M65 HydrophobicContact CG-CG 4.45Å; L61-M65 VanDerWaalsContact O-CB 3.28Å; L61-M65 WeakPolarHBondContact O-CB 3.29Å; L61-M65 WeakPolarHBondContact O-CG 3.34Å; L61-M65 PolarHBondContact O-N 2.75Å; A62-M65 PolarHBondContact O-N 3.3Å; M65-K68 PolarHBondContact O-N 2.91Å; M65-K68 HydrophobicContact SD-CD 4.34Å; M65-K69 VanDerWaalsContact O-CB 3.29Å; M65-K69 WeakPolarHBondContact O-CB 3.29Å; M65-K69 PolarHBondContact O-N 3.08Å |
| 66 | A | 57.8 | Low | 62 | Low | 50 Ų | 50 | 112.2 Ų | 112.2 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.5 | -47.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A62 K68 K69 D70 | A62-A66 VanDerWaalsContact O-CB 3.26Å; A62-A66 WeakPolarHBondContact O-CB 3.45Å; A62-A66 PolarHBondContact O-N 2.76Å; A66-K68 VanDerWaalsContact C-N 3.27Å; A66-K68 PolarHBondContact O-N 3.3Å; A66-K69 PolarHBondContact O-N 3.02Å; A66-D70 WeakPolarHBondContact O-CB 3.16Å; A66-D70 PolarHBondContact O-N 2.95Å |
| 67 | S | 56.9 | Low | 63.6 | Low | 82 Ų | 82 | 115 Ų | 115 | 57% | 0.573 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -27.4 | 175.7 | -163.7 | 0 | 0 | 0 | 0 | 113.4 | L63 R71 | L63-S67 VanDerWaalsContact O-CB 3.29Å; L63-S67 WeakPolarHBondContact O-CB 3.26Å; L63-S67 PolarHBondContact O-N 2.82Å; S67-R71 PolarHBondContact O-N 3.47Å |
| 68 | K | 55.7 | Low | 65.4 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.6 | -24.6 | 170.8 | -79.3 | 169.4 | 176.8 | 174.7 | 0 | 113.7 | R64 M65 A66 R71 | R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 VanDerWaalsContact O-CG 3.29Å; R64-K68 WeakPolarHBondContact O-CG 3.28Å; R64-K68 PolarHBondContact O-N 2.88Å; M65-K68 PolarHBondContact O-N 2.91Å; M65-K68 HydrophobicContact SD-CD 4.34Å; A66-K68 VanDerWaalsContact C-N 3.27Å; A66-K68 PolarHBondContact O-N 3.3Å; K68-R71 WeakPolarHBondContact O-CB 3.2Å |
| 69 | K | 47.4 | Very low | 67.1 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -84.9 | -32.6 | 177.7 | -162.7 | 159.6 | -176.6 | 174.2 | 0 | 111.7 | M65 A66 R71 K72 | M65-K69 VanDerWaalsContact O-CB 3.29Å; M65-K69 WeakPolarHBondContact O-CB 3.29Å; M65-K69 PolarHBondContact O-N 3.08Å; A66-K69 PolarHBondContact O-N 3.02Å; K69-R71 PolarHBondContact O-N 3.38Å; K69-K72 PolarHBondContact O-N 2.75Å |
| 70 | D | 51.5 | Low | 68.7 | Low | 125 Ų | 125 | 112.1 Ų | 112.1 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -12.9 | 167.5 | -111.3 | -69 | 0 | 0 | 0 | 113.6 | A66 K72 | A66-D70 WeakPolarHBondContact O-CB 3.16Å; A66-D70 PolarHBondContact O-N 2.95Å; D70-K72 PolarHBondContact O-N 3.14Å |
| 71 | R | 55 | Low | 70.3 | Confident | 152 Ų | 152 | 112.4 Ų | 112.4 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -8.1 | 170 | -98.1 | -147.5 | 73.3 | -145.9 | 1.8 | 113.7 | S67 K68 K69 | S67-R71 PolarHBondContact O-N 3.47Å; K68-R71 WeakPolarHBondContact O-CB 3.2Å; K69-R71 PolarHBondContact O-N 3.38Å |
| 72 | K | 62.3 | Low | 71.8 | Confident | 178 Ų | 178 | 111.5 Ų | 111.5 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -94.7 | 104.4 | 171.4 | -76.6 | -170.4 | 175.6 | -166.7 | 0 | 108.6 | K69 D70 | K69-K72 PolarHBondContact O-N 2.75Å; D70-K72 PolarHBondContact O-N 3.14Å |
| 73 | L | 63.2 | Low | 73.4 | Confident | 166 Ų | 166 | 116.1 Ų | 116.1 | 87% | 0.869 | 57% | 0.57 | S | S | * | * | trans | 77.6 | 65.5 | 172.8 | -48.3 | 171.6 | 0 | 0 | 0 | 114.4 | S75 | L73-S75 PolarHBondContact O-N 3.29Å; L73-S75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | L | 71.6 | Confident | 74.9 | Confident | 73 Ų | 73 | 115.9 Ų | 115.9 | 38% | 0.382 | 57% | 0.569 | S | S | . | * | trans | -45.3 | 123.4 | 153.8 | -77.9 | -90.4 | 0 | 0 | 0 | 106.7 | E78 I82 | L74-E78 HydrophobicContact CD1-CG 3.9Å; L74-E78 WeakPolarHBondContact CD1-OE2 3.2Å; L74-I82 HydrophobicContact CD1-CD1 4.34Å | ||
| 75 | S | 87 | Confident | 76.6 | Confident | 60 Ų | 60 | 114.9 Ų | 114.9 | 42% | 0.42 | 57% | 0.569 | S | S | . | * | trans | -56.5 | 147.3 | -179.1 | 72.5 | 0 | 0 | 0 | 0 | 109.5 | L73 N77 E78 L79 | L73-S75 PolarHBondContact O-N 3.29Å; L73-S75 VanDerWaalsContact O-N 3.13Å; S75-N77 PolarHBondContact O-N 3.27Å; S75-N77 VanDerWaalsContact O-N 3.09Å; S75-E78 WeakPolarHBondContact O-CB 3.43Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 WeakPolarHBondContact OG-CB 3.38Å; S75-E78 PolarHBondContact OG-N 2.07Å; S75-L79 PolarHBondContact O-N 2.93Å | ||
| 76 | E | 90.1 | Very high | 78.4 | Confident | 162 Ų | 162 | 114 Ų | 114 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -52 | -37 | 178.6 | -173.4 | 178.8 | 177.6 | 0 | 0 | 111.6 | L79 Q80 | E76-L79 PolarHBondContact O-N 3.36Å; E76-Q80 WeakPolarHBondContact O-CB 3.4Å; E76-Q80 PolarHBondContact O-N 2.9Å |
| 77 | N | 90.9 | Very high | 80.3 | Confident | 119 Ų | 119 | 115.6 Ų | 115.6 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.2 | -42.6 | 175.2 | -67.3 | -33.6 | 0 | 0 | 0 | 112.9 | S75 Q80 A81 | S75-N77 PolarHBondContact O-N 3.27Å; S75-N77 VanDerWaalsContact O-N 3.09Å; N77-Q80 PolarHBondContact O-N 3.46Å; N77-A81 WeakPolarHBondContact O-CB 3.31Å; N77-A81 PolarHBondContact O-N 3.07Å |
| 78 | E | 92.1 | Very high | 82.3 | Confident | 99 Ų | 99 | 114 Ų | 114 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -39.9 | 178 | -170.2 | 174.4 | -174.8 | 0 | 0 | 111.4 | L74 S75 Q80 A81 I82 | L74-E78 HydrophobicContact CD1-CG 3.9Å; L74-E78 WeakPolarHBondContact CD1-OE2 3.2Å; S75-E78 WeakPolarHBondContact O-CB 3.43Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 WeakPolarHBondContact OG-CB 3.38Å; S75-E78 PolarHBondContact OG-N 2.07Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 2.88Å; E78-A81 PolarHBondContact O-N 3.27Å; E78-I82 HydrophobicContact CG-CD1 4.31Å; E78-I82 VanDerWaalsContact O-CG1 3.29Å; E78-I82 WeakPolarHBondContact O-CG1 3.23Å; E78-I82 PolarHBondContact O-N 3.47Å |
| 79 | L | 93.3 | Very high | 84.3 | Confident | 75 Ų | 75 | 115.2 Ų | 115.2 | 39% | 0.393 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -41.5 | 173.5 | -175.4 | 62.2 | 0 | 0 | 0 | 111.4 | S75 E76 I82 R83 | S75-L79 PolarHBondContact O-N 2.93Å; E76-L79 PolarHBondContact O-N 3.36Å; L79-I82 PolarHBondContact O-N 3.26Å; L79-R83 WeakPolarHBondContact O-CG 3.18Å; L79-R83 PolarHBondContact O-N 2.93Å |
| 80 | Q | 93.8 | Very high | 86.7 | Confident | 108 Ų | 108 | 110.4 Ų | 110.4 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.7 | -164.2 | 172.7 | 20.3 | 0 | 0 | 111.4 | E76 N77 E78 I82 R83 L84 | E76-Q80 WeakPolarHBondContact O-CB 3.4Å; E76-Q80 PolarHBondContact O-N 2.9Å; N77-Q80 PolarHBondContact O-N 3.46Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 2.88Å; Q80-I82 PolarHBondContact O-N 3.42Å; Q80-R83 PolarHBondContact O-N 3.35Å; Q80-L84 HydrophobicContact CG-CD1 4.47Å; Q80-L84 VanDerWaalsContact O-CG 3.31Å; Q80-L84 WeakPolarHBondContact O-CG 3.38Å; Q80-L84 PolarHBondContact O-N 2.92Å |
| 81 | A | 94.3 | Very high | 89 | Confident | 57 Ų | 57 | 110.1 Ų | 110.1 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N77 E78 L84 K85 | N77-A81 WeakPolarHBondContact O-CB 3.31Å; N77-A81 PolarHBondContact O-N 3.07Å; E78-A81 PolarHBondContact O-N 3.27Å; A81-L84 PolarHBondContact O-N 3.37Å; A81-K85 WeakPolarHBondContact O-CB 3.31Å; A81-K85 PolarHBondContact O-N 3.38Å |
| 82 | I | 95.3 | Very high | 91 | Very high | 71 Ų | 71 | 109.5 Ų | 109.5 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 175.2 | -67.9 | 164.8 | 0 | 0 | 0 | 110.6 | L74 E78 L79 Q80 L84 K85 I86 | L74-I82 HydrophobicContact CD1-CD1 4.34Å; E78-I82 HydrophobicContact CG-CD1 4.31Å; E78-I82 VanDerWaalsContact O-CG1 3.29Å; E78-I82 WeakPolarHBondContact O-CG1 3.23Å; E78-I82 PolarHBondContact O-N 3.47Å; L79-I82 PolarHBondContact O-N 3.26Å; Q80-I82 PolarHBondContact O-N 3.42Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.27Å; I82-K85 PolarHBondContact O-N 3.36Å; I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.41Å; I82-I86 VanDerWaalsContact O-CG1 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.37Å; I82-I86 PolarHBondContact O-N 2.91Å |
| 83 | R | 96.3 | Very high | 92.8 | Very high | 156 Ų | 156 | 108.7 Ų | 108.7 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -45.9 | 176.2 | -74.1 | 177.8 | -172.7 | -175.4 | 4.1 | 111.4 | L79 Q80 I86 N87 | L79-R83 WeakPolarHBondContact O-CG 3.18Å; L79-R83 PolarHBondContact O-N 2.93Å; Q80-R83 PolarHBondContact O-N 3.35Å; R83-I86 PolarHBondContact O-N 2.92Å; R83-N87 WeakPolarHBondContact O-CB 3.29Å; R83-N87 PolarHBondContact O-N 3.01Å; R83-N87 PolarHBondContact O-ND2 3.35Å |
| 84 | L | 96.8 | Very high | 94.5 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 178.6 | -70.7 | 173 | 0 | 0 | 0 | 111.9 | Q80 A81 I82 N87 S88 | Q80-L84 HydrophobicContact CG-CD1 4.47Å; Q80-L84 VanDerWaalsContact O-CG 3.31Å; Q80-L84 WeakPolarHBondContact O-CG 3.38Å; Q80-L84 PolarHBondContact O-N 2.92Å; A81-L84 PolarHBondContact O-N 3.37Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.27Å; L84-N87 PolarHBondContact O-N 3.46Å; L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 2.88Å |
| 85 | K | 97 | Very high | 95.7 | Very high | 164 Ų | 164 | 104.7 Ų | 104.7 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | -171.5 | 175 | -177.1 | 176 | 0 | 111.9 | A81 I82 R89 | A81-K85 WeakPolarHBondContact O-CB 3.31Å; A81-K85 PolarHBondContact O-N 3.38Å; I82-K85 PolarHBondContact O-N 3.36Å; K85-R89 PolarHBondContact O-N 2.87Å; K85-R89 VanDerWaalsContact O-N 3.13Å |
| 86 | I | 97.8 | Very high | 96.3 | Very high | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.415 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 175.7 | -67.8 | 168.3 | 0 | 0 | 0 | 110.6 | I82 R83 S88 R89 E90 | I82-I86 HydrophobicContact CG2-CD1 3.74Å; I82-I86 HydrophobicContact CG2-CG1 4.41Å; I82-I86 VanDerWaalsContact O-CG1 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.37Å; I82-I86 PolarHBondContact O-N 2.91Å; R83-I86 PolarHBondContact O-N 2.92Å; I86-S88 VanDerWaalsContact C-N 3.32Å; I86-S88 PolarHBondContact O-N 3.43Å; I86-R89 WeakPolarHBondContact O-CB 3.48Å; I86-R89 PolarHBondContact O-N 3.33Å; I86-E90 PolarHBondContact O-N 2.95Å |
| 87 | N | 98.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.6 | -86.9 | -80.1 | 0 | 0 | 0 | 112.6 | R83 L84 R89 E90 R91 | R83-N87 WeakPolarHBondContact O-CB 3.29Å; R83-N87 PolarHBondContact O-N 3.01Å; R83-N87 PolarHBondContact O-ND2 3.35Å; L84-N87 PolarHBondContact O-N 3.46Å; N87-R89 VanDerWaalsContact C-N 3.34Å; N87-R89 PolarHBondContact O-N 3.04Å; N87-E90 PolarHBondContact O-N 3.43Å; N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.37Å |
| 88 | S | 98.2 | Very high | 97 | Very high | 50 Ų | 50 | 99.4 Ų | 99.4 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | L84 I86 E90 R91 K92 | L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 2.88Å; I86-S88 VanDerWaalsContact C-N 3.32Å; I86-S88 PolarHBondContact O-N 3.43Å; S88-E90 PolarHBondContact O-N 3.28Å; S88-R91 PolarHBondContact O-N 2.94Å; S88-K92 PolarHBondContact O-N 3.35Å |
| 89 | R | 98.4 | Very high | 97.3 | Very high | 160 Ų | 160 | 98.6 Ų | 98.6 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 176.9 | -168.9 | 179.1 | 73.9 | -109.5 | 3.8 | 112.2 | K85 I86 N87 K92 R93 | K85-R89 PolarHBondContact O-N 2.87Å; K85-R89 VanDerWaalsContact O-N 3.13Å; I86-R89 WeakPolarHBondContact O-CB 3.48Å; I86-R89 PolarHBondContact O-N 3.33Å; N87-R89 VanDerWaalsContact C-N 3.34Å; N87-R89 PolarHBondContact O-N 3.04Å; R89-K92 PolarHBondContact O-N 2.96Å; R89-R93 PolarHBondContact O-N 3.32Å |
| 90 | E | 98.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 34% | 0.336 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 179.2 | -172.1 | 57.8 | -156.9 | 0 | 0 | 112.1 | I86 N87 S88 K92 R93 M94 | I86-E90 PolarHBondContact O-N 2.95Å; N87-E90 PolarHBondContact O-N 3.43Å; S88-E90 PolarHBondContact O-N 3.28Å; E90-K92 VanDerWaalsContact C-N 3.3Å; E90-K92 PolarHBondContact O-N 2.96Å; E90-R93 PolarHBondContact O-N 3.13Å; E90-R93 IonicContact OE1-CZ 2.85Å; E90-R93 IonicContact OE1-NH1 3.49Å; E90-R93 PolarHBondContact OE1-NH1 3.07Å; E90-R93 WeakPolarHBondContact OE2-CD 3.39Å; E90-R93 IonicContact OE2-NH1 2.68Å; E90-R93 PolarHBondContact OE2-NH1 3.39Å; E90-M94 WeakPolarHBondContact O-CB 3.39Å; E90-M94 PolarHBondContact O-N 3.4Å |
| 91 | R | 98.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 94 Ų | 94 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 171.9 | -78.2 | -168.3 | -71.1 | -94 | 5.6 | 111.7 | N87 S88 M94 H95 | N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.37Å; S88-R91 PolarHBondContact O-N 2.94Å; R91-M94 PolarHBondContact O-N 3.48Å; R91-H95 WeakPolarHBondContact O-CB 3.41Å; R91-H95 PolarHBondContact O-N 2.83Å |
| 92 | K | 98.4 | Very high | 97.8 | Very high | 138 Ų | 138 | 95.2 Ų | 95.2 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -49.7 | 175.3 | -176.3 | 171.9 | -179.3 | 171.8 | 0 | 111.4 | S88 R89 E90 M94 H95 D96 | S88-K92 PolarHBondContact O-N 3.35Å; R89-K92 PolarHBondContact O-N 2.96Å; E90-K92 VanDerWaalsContact C-N 3.3Å; E90-K92 PolarHBondContact O-N 2.96Å; K92-M94 VanDerWaalsContact C-N 3.3Å; K92-M94 PolarHBondContact O-N 3.5Å; K92-H95 WeakPolarHBondContact O-CB 3.45Å; K92-H95 PolarHBondContact O-N 3.41Å; K92-H95 VanDerWaalsContact O-N 3.08Å; K92-D96 PolarHBondContact O-N 3.18Å |
| 93 | R | 98.6 | Very high | 97.9 | Very high | 162 Ų | 162 | 93.3 Ų | 93.3 | 61% | 0.611 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.4 | -44.8 | 176.3 | -179.1 | -171 | 171 | -131.2 | 1.9 | 112.2 | R89 E90 H95 D96 L97 | R89-R93 PolarHBondContact O-N 3.32Å; E90-R93 PolarHBondContact O-N 3.13Å; E90-R93 IonicContact OE1-CZ 2.85Å; E90-R93 IonicContact OE1-NH1 3.49Å; E90-R93 PolarHBondContact OE1-NH1 3.07Å; E90-R93 WeakPolarHBondContact OE2-CD 3.39Å; E90-R93 IonicContact OE2-NH1 2.68Å; E90-R93 PolarHBondContact OE2-NH1 3.39Å; R93-H95 VanDerWaalsContact C-N 3.35Å; R93-D96 PolarHBondContact O-N 3.46Å; R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 PolarHBondContact O-N 2.88Å |
| 94 | M | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 88.1 Ų | 88.1 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -34.7 | 177.9 | -83.8 | -62.6 | -55.5 | 0 | 0 | 112.7 | E90 R91 K92 L97 N98 | E90-M94 WeakPolarHBondContact O-CB 3.39Å; E90-M94 PolarHBondContact O-N 3.4Å; R91-M94 PolarHBondContact O-N 3.48Å; K92-M94 VanDerWaalsContact C-N 3.3Å; K92-M94 PolarHBondContact O-N 3.5Å; M94-L97 HydrophobicContact CE-CD2 4.48Å; M94-L97 HydrophobicContact SD-CD2 4.03Å; M94-N98 PolarHBondContact O-N 2.94Å; M94-N98 PolarHBondContact O-ND2 3Å |
| 95 | H | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 84.2 Ų | 84.2 | 39% | 0.389 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 173.4 | -177 | 74.2 | 0 | 0 | 0 | 111 | R91 K92 R93 L97 N98 V99 M249 | R91-H95 WeakPolarHBondContact O-CB 3.41Å; R91-H95 PolarHBondContact O-N 2.83Å; K92-H95 WeakPolarHBondContact O-CB 3.45Å; K92-H95 PolarHBondContact O-N 3.41Å; K92-H95 VanDerWaalsContact O-N 3.08Å; R93-H95 VanDerWaalsContact C-N 3.35Å; H95-L97 VanDerWaalsContact C-N 3.28Å; H95-L97 PolarHBondContact O-N 2.89Å; H95-N98 PolarHBondContact O-N 3.2Å; H95-V99 WeakPolarHBondContact O-CG2 3.46Å; H95-V99 PolarHBondContact O-N 3.32Å; H95-M249 WeakPolarHBondContact NE2-CE 3.19Å |
| 96 | D | 98.3 | Very high | 97.9 | Very high | 88 Ų | 88 | 83.4 Ų | 83.4 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 178.6 | -61.4 | -17.4 | 0 | 0 | 0 | 111.4 | K92 R93 N98 V99 A100 | K92-D96 PolarHBondContact O-N 3.18Å; R93-D96 PolarHBondContact O-N 3.46Å; D96-N98 PolarHBondContact O-N 3.37Å; D96-V99 PolarHBondContact O-N 3.29Å; D96-A100 PolarHBondContact O-N 3.03Å |
| 97 | L | 98.3 | Very high | 97.9 | Very high | 85 Ų | 85 | 84.1 Ų | 84.1 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.2 | 175.1 | 63.7 | 0 | 0 | 0 | 112.3 | R93 M94 H95 A100 M101 | R93-L97 WeakPolarHBondContact O-CB 3.29Å; R93-L97 PolarHBondContact O-N 2.88Å; M94-L97 HydrophobicContact CE-CD2 4.48Å; M94-L97 HydrophobicContact SD-CD2 4.03Å; H95-L97 VanDerWaalsContact C-N 3.28Å; H95-L97 PolarHBondContact O-N 2.89Å; L97-A100 PolarHBondContact O-N 3.45Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.28Å |
| 98 | N | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 80.9 Ų | 80.9 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 179.2 | -70.3 | -22.5 | 0 | 0 | 0 | 111.1 | M94 H95 D96 A100 M101 D102 K121 | M94-N98 PolarHBondContact O-N 2.94Å; M94-N98 PolarHBondContact O-ND2 3Å; H95-N98 PolarHBondContact O-N 3.2Å; D96-N98 PolarHBondContact O-N 3.37Å; N98-A100 VanDerWaalsContact C-N 3.33Å; N98-A100 PolarHBondContact O-N 2.86Å; N98-M101 CarbonylContact O-C 3.58Å; N98-M101 WeakPolarHBondContact O-CB 3.42Å; N98-M101 PolarHBondContact O-N 2.85Å; N98-M101 VanDerWaalsContact O-N 3.15Å; N98-D102 VanDerWaalsContact O-CG 3.32Å; N98-D102 PolarHBondContact O-N 3.48Å; N98-K121 WeakPolarHBondContact OD1-CE 3.15Å; N98-K121 PolarHBondContact OD1-NZ 3.41Å |
| 99 | V | 97.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 80 Ų | 80 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 173 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | H95 D96 M101 D102 G103 | H95-V99 WeakPolarHBondContact O-CG2 3.46Å; H95-V99 PolarHBondContact O-N 3.32Å; D96-V99 PolarHBondContact O-N 3.29Å; V99-M101 VanDerWaalsContact C-N 3.35Å; V99-M101 PolarHBondContact O-N 3.08Å; V99-D102 PolarHBondContact O-N 2.91Å; V99-G103 PolarHBondContact O-N 3.03Å |
| 100 | A | 98.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 82 Ų | 82 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D96 L97 N98 D102 G103 L104 | D96-A100 PolarHBondContact O-N 3.03Å; L97-A100 PolarHBondContact O-N 3.45Å; N98-A100 VanDerWaalsContact C-N 3.33Å; N98-A100 PolarHBondContact O-N 2.86Å; A100-D102 VanDerWaalsContact C-N 3.3Å; A100-D102 PolarHBondContact O-N 3.39Å; A100-G103 PolarHBondContact O-N 3.44Å; A100-L104 PolarHBondContact O-N 3.16Å |
| 101 | M | 98.3 | Very high | 96.6 | Very high | 19 Ų | 19 | 79.1 Ų | 79.1 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -31.4 | 174.6 | -79.8 | -63.7 | -62.1 | 0 | 0 | 112.9 | L97 N98 V99 L104 R105 K121 T124 L125 | L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.28Å; N98-M101 CarbonylContact O-C 3.58Å; N98-M101 WeakPolarHBondContact O-CB 3.42Å; N98-M101 PolarHBondContact O-N 2.85Å; N98-M101 VanDerWaalsContact O-N 3.15Å; V99-M101 VanDerWaalsContact C-N 3.35Å; V99-M101 PolarHBondContact O-N 3.08Å; M101-L104 HydrophobicContact SD-CD2 4.37Å; M101-R105 VanDerWaalsContact C-NH1 3.32Å; M101-R105 WeakPolarHBondContact O-CG 3.42Å; M101-R105 PolarHBondContact O-N 3.49Å; M101-R105 PolarHBondContact O-NH1 3.28Å; M101-K121 HydrophobicContact CE-CB 4.09Å; M101-K121 HydrophobicContact CE-CG 4.24Å; M101-T124 HydrophobicContact CE-CG2 3.9Å; M101-L125 HydrophobicContact CE-CD2 4.37Å; M101-L125 HydrophobicContact CE-CG 4.32Å; M101-L125 HydrophobicContact SD-CD2 4.06Å |
| 102 | D | 96.3 | Very high | 96 | Very high | 84 Ų | 84 | 81.6 Ų | 81.6 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.7 | -42.9 | 175.1 | -67.7 | -26 | 0 | 0 | 0 | 110.8 | N98 V99 A100 L104 R105 E106 | N98-D102 VanDerWaalsContact O-CG 3.32Å; N98-D102 PolarHBondContact O-N 3.48Å; V99-D102 PolarHBondContact O-N 2.91Å; A100-D102 VanDerWaalsContact C-N 3.3Å; A100-D102 PolarHBondContact O-N 3.39Å; D102-L104 PolarHBondContact O-N 3.31Å; D102-R105 WeakPolarHBondContact O-CA 3.41Å; D102-R105 WeakPolarHBondContact O-CB 3.49Å; D102-R105 PolarHBondContact O-N 3.04Å; D102-R105 IonicContact OD1-CZ 3.64Å; D102-R105 IonicContact OD1-NH1 3.89Å; D102-R105 PolarHBondContact OD1-NH1 2.68Å; D102-E106 PolarHBondContact O-N 3Å; D102-E106 VanDerWaalsContact O-N 3.16Å |
| 103 | G | 96.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.2 | -35.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | V99 A100 R105 E106 | V99-G103 PolarHBondContact O-N 3.03Å; A100-G103 PolarHBondContact O-N 3.44Å; G103-R105 VanDerWaalsContact C-N 3.31Å; G103-R105 PolarHBondContact O-N 3.25Å; G103-E106 WeakPolarHBondContact O-CB 3.47Å; G103-E106 PolarHBondContact O-N 3.42Å |
| 104 | L | 97.9 | Very high | 95 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 171.5 | -178.4 | 62.7 | 0 | 0 | 0 | 111.9 | A100 M101 D102 E106 V107 M108 T124 L125 A128 | A100-L104 PolarHBondContact O-N 3.16Å; M101-L104 HydrophobicContact SD-CD2 4.37Å; D102-L104 PolarHBondContact O-N 3.31Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.93Å; L104-V107 HydrophobicContact CD1-CG2 4.29Å; L104-V107 WeakPolarHBondContact O-CG2 3.43Å; L104-V107 PolarHBondContact O-N 3.44Å; L104-M108 HydrophobicContact CD1-CE 3.45Å; L104-M108 VanDerWaalsContact CD1-CE 3.45Å; L104-M108 HydrophobicContact CG-CE 3.92Å; L104-M108 VanDerWaalsContact O-CE 3.22Å; L104-M108 WeakPolarHBondContact O-CE 3.42Å; L104-M108 WeakPolarHBondContact O-CG 3.45Å; L104-T124 HydrophobicContact CD2-CG2 4.01Å; L104-T124 HydrophobicContact CG-CG2 4.27Å; L104-L125 HydrophobicContact CD2-CD2 4.09Å; L104-A128 HydrophobicContact CD1-CB 4.06Å; L104-A128 HydrophobicContact CD2-CB 4.14Å; L104-A128 HydrophobicContact CG-CB 4.38Å |
| 105 | R | 97.5 | Very high | 94.5 | Very high | 26 Ų | 26 | 73.2 Ų | 73.2 | 10% | 0.098 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.2 | -28.4 | 178.1 | -69.9 | 177.6 | -174.9 | 101.6 | -20.9 | 112.7 | M101 D102 G103 V107 M108 A111 V116 L119 T124 | M101-R105 VanDerWaalsContact C-NH1 3.32Å; M101-R105 WeakPolarHBondContact O-CG 3.42Å; M101-R105 PolarHBondContact O-N 3.49Å; M101-R105 PolarHBondContact O-NH1 3.28Å; D102-R105 WeakPolarHBondContact O-CA 3.41Å; D102-R105 WeakPolarHBondContact O-CB 3.49Å; D102-R105 PolarHBondContact O-N 3.04Å; D102-R105 IonicContact OD1-CZ 3.64Å; D102-R105 IonicContact OD1-NH1 3.89Å; D102-R105 PolarHBondContact OD1-NH1 2.68Å; G103-R105 VanDerWaalsContact C-N 3.31Å; G103-R105 PolarHBondContact O-N 3.25Å; R105-V107 VanDerWaalsContact C-N 3.29Å; R105-V107 PolarHBondContact O-N 2.9Å; R105-M108 PolarHBondContact O-N 3.47Å; R105-A111 WeakPolarHBondContact O-CB 3.46Å; R105-V116 HydrophobicContact CB-CG1 4.1Å; R105-V116 WeakPolarHBondContact CD-O 3.47Å; R105-V116 HydrophobicContact CG-CG1 4.35Å; R105-L119 PolarHBondContact NH2-O 3.28Å; R105-L119 VanDerWaalsContact NH2-O 3.09Å; R105-T124 HydrophobicContact CG-CG2 3.65Å; R105-T124 PolarHBondContact NE-OG1 3.17Å |
| 106 | E | 96 | Very high | 94.2 | Very high | 147 Ų | 147 | 69.6 Ų | 69.6 | 69% | 0.687 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67 | -30.1 | 178.1 | -66.6 | 178.8 | 171 | 0 | 0 | 112.8 | D102 G103 L104 A111 | D102-E106 PolarHBondContact O-N 3Å; D102-E106 VanDerWaalsContact O-N 3.16Å; G103-E106 WeakPolarHBondContact O-CB 3.47Å; G103-E106 PolarHBondContact O-N 3.42Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 2.93Å; E106-A111 WeakPolarHBondContact O-CB 3.44Å |
| 107 | V | 96.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1.3 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | L104 R105 Y131 | L104-V107 HydrophobicContact CD1-CG2 4.29Å; L104-V107 WeakPolarHBondContact O-CG2 3.43Å; L104-V107 PolarHBondContact O-N 3.44Å; R105-V107 VanDerWaalsContact C-N 3.29Å; R105-V107 PolarHBondContact O-N 2.9Å; V107-Y131 WeakPolarHBondContact O-CE1 3.33Å |
| 108 | M | 96.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 6% | 0.064 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -73.5 | 154 | 176.5 | -71.4 | -54 | 106.9 | 0 | 0 | 112 | L104 R105 Y110 A111 V116 L127 A128 Y131 | L104-M108 HydrophobicContact CD1-CE 3.45Å; L104-M108 VanDerWaalsContact CD1-CE 3.45Å; L104-M108 HydrophobicContact CG-CE 3.92Å; L104-M108 VanDerWaalsContact O-CE 3.22Å; L104-M108 WeakPolarHBondContact O-CE 3.42Å; L104-M108 WeakPolarHBondContact O-CG 3.45Å; R105-M108 PolarHBondContact O-N 3.47Å; M108-Y110 PolarHBondContact O-N 2.86Å; M108-A111 VanDerWaalsContact O-CB 3.28Å; M108-A111 WeakPolarHBondContact O-CB 3.37Å; M108-A111 PolarHBondContact O-N 3.36Å; M108-A111 VanDerWaalsContact O-N 3.15Å; M108-V116 HydrophobicContact CB-CG1 3.82Å; M108-V116 HydrophobicContact CG-CG1 4.24Å; M108-L127 HydrophobicContact CB-CD2 4.35Å; M108-L127 HydrophobicContact CG-CD2 4.25Å; M108-L127 HydrophobicContact SD-CD2 4.42Å; M108-L127 HydrophobicContact SD-CG 4.14Å; M108-A128 HydrophobicContact CE-CB 3.63Å; M108-A128 VanDerWaalsContact SD-CA 3.54Å; M108-A128 HydrophobicContact SD-CB 3.8Å; M108-Y131 HydrophobicContact CE-CD1 4.47Å; M108-Y131 HydrophobicContact SD-CD1 4.45Å |
| 109 | P | 92.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 77.3 Ų | 77.3 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 136.7 | 169.4 | 25.7 | -34.1 | 0 | 0 | 0 | 109.9 | A111 V116 Y131 | P109-A111 VanDerWaalsContact C-N 3.27Å; P109-A111 PolarHBondContact O-N 3.15Å; P109-V116 WeakPolarHBondContact O-CG2 3.28Å; P109-Y131 HydrophobicContact CG-CD2 4.27Å; P109-Y131 HydrophobicContact CG-CE2 4.49Å; P109-Y131 HydrophobicContact CG-CG 4.29Å |
| 110 | Y | 89.2 | Confident | 93.3 | Very high | 203 Ų | 203 | 76.5 Ų | 76.5 | 80% | 0.796 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 24.2 | -176.9 | -42 | -72.3 | 0 | 0 | 0 | 115.3 | M108 H112 G113 | M108-Y110 PolarHBondContact O-N 2.86Å; Y110-H112 PolarHBondContact O-N 2.95Å; Y110-G113 PolarHBondContact O-N 3.46Å |
| 111 | A | 88.5 | Confident | 93.3 | Very high | 10 Ų | 10 | 77.8 Ų | 77.8 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -35.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | R105 E106 M108 P109 G113 | R105-A111 WeakPolarHBondContact O-CB 3.46Å; E106-A111 WeakPolarHBondContact O-CB 3.44Å; M108-A111 VanDerWaalsContact O-CB 3.28Å; M108-A111 WeakPolarHBondContact O-CB 3.37Å; M108-A111 PolarHBondContact O-N 3.36Å; M108-A111 VanDerWaalsContact O-N 3.15Å; P109-A111 VanDerWaalsContact C-N 3.27Å; P109-A111 PolarHBondContact O-N 3.15Å; A111-G113 PolarHBondContact O-N 3.4Å |
| 112 | H | 86.9 | Confident | 93.3 | Very high | 171 Ų | 171 | 82.2 Ų | 82.2 | 79% | 0.792 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.2 | -177.8 | -54.5 | -49.2 | 0 | 0 | 0 | 113 | Y110 R117 | Y110-H112 PolarHBondContact O-N 2.95Å; H112-R117 PolarHBondContact O-NH2 3.26Å |
| 113 | G | 87.5 | Confident | 93.4 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 25% | 0.247 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -71.7 | 152.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y110 A111 S115 | Y110-G113 PolarHBondContact O-N 3.46Å; A111-G113 PolarHBondContact O-N 3.4Å; G113-S115 PolarHBondContact O-N 3.49Å |
| 114 | P | 86.9 | Confident | 93.4 | Very high | 79 Ų | 79 | 78.2 Ų | 78.2 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -23.2 | 176.6 | 27 | -33.8 | 0 | 0 | 0 | 112.5 | K118 | P114-K118 WeakPolarHBondContact O-CB 3.35Å; P114-K118 VanDerWaalsContact O-CG 3.26Å; P114-K118 WeakPolarHBondContact O-CG 3.26Å; P114-K118 PolarHBondContact O-N 2.99Å; P114-K118 VanDerWaalsContact O-N 3.16Å |
| 115 | S | 89.6 | Confident | 93.5 | Very high | 92 Ų | 92 | 80.3 Ų | 80.3 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.5 | -48.5 | -177.1 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | G113 K118 L119 | G113-S115 PolarHBondContact O-N 3.49Å; S115-K118 PolarHBondContact O-N 2.84Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.34Å |
| 116 | V | 90.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 83.6 Ų | 83.6 | 5% | 0.048 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71.1 | -42.2 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | R105 M108 P109 K118 L119 | R105-V116 HydrophobicContact CB-CG1 4.1Å; R105-V116 WeakPolarHBondContact CD-O 3.47Å; R105-V116 HydrophobicContact CG-CG1 4.35Å; M108-V116 HydrophobicContact CB-CG1 3.82Å; M108-V116 HydrophobicContact CG-CG1 4.24Å; P109-V116 WeakPolarHBondContact O-CG2 3.28Å; V116-K118 PolarHBondContact O-N 3.42Å; V116-L119 HydrophobicContact CG1-CD1 4.38Å; V116-L119 WeakPolarHBondContact O-CB 3.42Å; V116-L119 WeakPolarHBondContact O-CG 3.36Å; V116-L119 PolarHBondContact O-N 3.12Å; V116-L119 VanDerWaalsContact O-N 3.14Å |
| 117 | R | 90.3 | Very high | 93.6 | Very high | 165 Ų | 165 | 79.1 Ų | 79.1 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.1 | -24.5 | 177 | -75.4 | -171.6 | -78.8 | 168.6 | -7.9 | 113.6 | H112 | H112-R117 PolarHBondContact O-NH2 3.26Å |
| 118 | K | 92.4 | Very high | 93.7 | Very high | 176 Ų | 176 | 74.9 Ų | 74.9 | 77% | 0.765 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 4.1 | 177.9 | -67.8 | 178.4 | -179.8 | -177 | 0 | 113.9 | P114 S115 V116 | P114-K118 WeakPolarHBondContact O-CB 3.35Å; P114-K118 VanDerWaalsContact O-CG 3.26Å; P114-K118 WeakPolarHBondContact O-CG 3.26Å; P114-K118 PolarHBondContact O-N 2.99Å; P114-K118 VanDerWaalsContact O-N 3.16Å; S115-K118 PolarHBondContact O-N 2.84Å; V116-K118 PolarHBondContact O-N 3.42Å |
| 119 | L | 94.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 81.4 Ų | 81.4 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | trans | -67.7 | 142.7 | 177.3 | -66.9 | 178.3 | 0 | 0 | 0 | 111.9 | R105 S115 V116 A123 L127 | R105-L119 PolarHBondContact NH2-O 3.28Å; R105-L119 VanDerWaalsContact NH2-O 3.09Å; S115-L119 WeakPolarHBondContact O-CG 3.48Å; S115-L119 PolarHBondContact O-N 3.34Å; V116-L119 HydrophobicContact CG1-CD1 4.38Å; V116-L119 WeakPolarHBondContact O-CB 3.42Å; V116-L119 WeakPolarHBondContact O-CG 3.36Å; V116-L119 PolarHBondContact O-N 3.12Å; V116-L119 VanDerWaalsContact O-N 3.14Å; L119-A123 HydrophobicContact CB-CB 4.21Å; L119-A123 HydrophobicContact CD2-CB 4.27Å; L119-L127 HydrophobicContact CD1-CD2 3.72Å | ||
| 120 | S | 97.5 | Very high | 94 | Very high | 65 Ų | 65 | 84 Ų | 84 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | trans | -62.3 | 161.7 | 169.3 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | I122 A123 T124 | S120-I122 VanDerWaalsContact C-N 3.32Å; S120-I122 PolarHBondContact O-N 3.38Å; S120-I122 WeakPolarHBondContact OG-CG2 3.41Å; S120-A123 PolarHBondContact O-N 3.17Å; S120-A123 VanDerWaalsContact OG-CB 3.29Å; S120-A123 WeakPolarHBondContact OG-CB 3.46Å; S120-A123 PolarHBondContact OG-N 3.34Å; S120-T124 WeakPolarHBondContact O-CB 3.49Å; S120-T124 PolarHBondContact O-N 2.76Å; S120-T124 PolarHBondContact O-OG1 3.34Å | ||
| 121 | K | 97.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 40% | 0.404 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.5 | -46 | 179.2 | -67.3 | -173.3 | 173.7 | -171.4 | 0 | 111.6 | N98 M101 T124 L125 | N98-K121 WeakPolarHBondContact OD1-CE 3.15Å; N98-K121 PolarHBondContact OD1-NZ 3.41Å; M101-K121 HydrophobicContact CE-CB 4.09Å; M101-K121 HydrophobicContact CE-CG 4.24Å; K121-T124 PolarHBondContact O-N 3.44Å; K121-L125 WeakPolarHBondContact O-CG 3.21Å; K121-L125 PolarHBondContact O-N 3.21Å; K121-L125 VanDerWaalsContact O-N 3.08Å |
| 122 | I | 98.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 82 Ų | 82 | 57% | 0.574 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 178.9 | -173 | 60.3 | 0 | 0 | 0 | 112.1 | S120 T124 L125 L126 | S120-I122 VanDerWaalsContact C-N 3.32Å; S120-I122 PolarHBondContact O-N 3.38Å; S120-I122 WeakPolarHBondContact OG-CG2 3.41Å; I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 PolarHBondContact O-N 3.44Å; I122-L125 PolarHBondContact O-N 3.25Å; I122-L126 HydrophobicContact CD1-CG 4.45Å; I122-L126 HydrophobicContact CG1-CD1 4.2Å; I122-L126 HydrophobicContact CG1-CG 4.49Å; I122-L126 WeakPolarHBondContact O-CG 3.12Å; I122-L126 PolarHBondContact O-N 3.32Å |
| 123 | A | 97.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 77.5 Ų | 77.5 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L119 S120 L126 L127 | L119-A123 HydrophobicContact CB-CB 4.21Å; L119-A123 HydrophobicContact CD2-CB 4.27Å; S120-A123 PolarHBondContact O-N 3.17Å; S120-A123 VanDerWaalsContact OG-CB 3.29Å; S120-A123 WeakPolarHBondContact OG-CB 3.46Å; S120-A123 PolarHBondContact OG-N 3.34Å; A123-L126 PolarHBondContact O-N 3.41Å; A123-L127 WeakPolarHBondContact O-CB 3.37Å; A123-L127 PolarHBondContact O-N 3.33Å |
| 124 | T | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | M101 L104 R105 S120 K121 I122 L127 A128 | M101-T124 HydrophobicContact CE-CG2 3.9Å; L104-T124 HydrophobicContact CD2-CG2 4.01Å; L104-T124 HydrophobicContact CG-CG2 4.27Å; R105-T124 HydrophobicContact CG-CG2 3.65Å; R105-T124 PolarHBondContact NE-OG1 3.17Å; S120-T124 WeakPolarHBondContact O-CB 3.49Å; S120-T124 PolarHBondContact O-N 2.76Å; S120-T124 PolarHBondContact O-OG1 3.34Å; K121-T124 PolarHBondContact O-N 3.44Å; I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 PolarHBondContact O-N 3.44Å; T124-L127 PolarHBondContact O-N 3.27Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.06Å |
| 125 | L | 98.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 81 Ų | 81 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 178.9 | -66.7 | 176.1 | 0 | 0 | 0 | 112.6 | M101 L104 K121 I122 A128 R129 | M101-L125 HydrophobicContact CE-CD2 4.37Å; M101-L125 HydrophobicContact CE-CG 4.32Å; M101-L125 HydrophobicContact SD-CD2 4.06Å; L104-L125 HydrophobicContact CD2-CD2 4.09Å; K121-L125 WeakPolarHBondContact O-CG 3.21Å; K121-L125 PolarHBondContact O-N 3.21Å; K121-L125 VanDerWaalsContact O-N 3.08Å; I122-L125 PolarHBondContact O-N 3.25Å; L125-A128 PolarHBondContact O-N 3.37Å; L125-R129 PolarHBondContact O-N 3.16Å |
| 126 | L | 98.3 | Very high | 97 | Very high | 95 Ų | 95 | 79.3 Ų | 79.3 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.6 | -72 | 173.2 | 0 | 0 | 0 | 111.7 | I122 A123 R129 N130 | I122-L126 HydrophobicContact CD1-CG 4.45Å; I122-L126 HydrophobicContact CG1-CD1 4.2Å; I122-L126 HydrophobicContact CG1-CG 4.49Å; I122-L126 WeakPolarHBondContact O-CG 3.12Å; I122-L126 PolarHBondContact O-N 3.32Å; A123-L126 PolarHBondContact O-N 3.41Å; L126-R129 PolarHBondContact O-N 3.41Å; L126-N130 PolarHBondContact O-N 3.39Å; L126-N130 PolarHBondContact O-ND2 2.94Å |
| 127 | L | 97.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 83.7 Ų | 83.7 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.8 | -177.4 | 60.7 | 0 | 0 | 0 | 111.1 | M108 L119 A123 T124 R129 N130 Y131 | M108-L127 HydrophobicContact CB-CD2 4.35Å; M108-L127 HydrophobicContact CG-CD2 4.25Å; M108-L127 HydrophobicContact SD-CD2 4.42Å; M108-L127 HydrophobicContact SD-CG 4.14Å; L119-L127 HydrophobicContact CD1-CD2 3.72Å; A123-L127 WeakPolarHBondContact O-CB 3.37Å; A123-L127 PolarHBondContact O-N 3.33Å; T124-L127 PolarHBondContact O-N 3.27Å; L127-R129 PolarHBondContact O-N 3.42Å; L127-N130 PolarHBondContact O-N 3.47Å; L127-Y131 WeakPolarHBondContact O-CB 3.29Å; L127-Y131 PolarHBondContact O-N 3.09Å |
| 128 | A | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 78.2 Ų | 78.2 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L104 M108 T124 L125 N130 Y131 I132 | L104-A128 HydrophobicContact CD1-CB 4.06Å; L104-A128 HydrophobicContact CD2-CB 4.14Å; L104-A128 HydrophobicContact CG-CB 4.38Å; M108-A128 HydrophobicContact CE-CB 3.63Å; M108-A128 VanDerWaalsContact SD-CA 3.54Å; M108-A128 HydrophobicContact SD-CB 3.8Å; T124-A128 WeakPolarHBondContact O-CB 3.22Å; T124-A128 PolarHBondContact O-N 3.06Å; L125-A128 PolarHBondContact O-N 3.37Å; A128-N130 VanDerWaalsContact C-N 3.35Å; A128-N130 PolarHBondContact O-N 3.15Å; A128-Y131 PolarHBondContact O-N 3.14Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.24Å |
| 129 | R | 98.4 | Very high | 98 | Very high | 150 Ų | 150 | 74.5 Ų | 74.5 | 57% | 0.566 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.5 | -48.4 | 175.9 | -178.9 | -175 | 178.9 | -79.1 | -2.4 | 111.5 | L125 L126 L127 Y131 I132 L133 | L125-R129 PolarHBondContact O-N 3.16Å; L126-R129 PolarHBondContact O-N 3.41Å; L127-R129 PolarHBondContact O-N 3.42Å; R129-Y131 VanDerWaalsContact C-N 3.28Å; R129-Y131 PolarHBondContact O-N 3.39Å; R129-I132 PolarHBondContact O-N 3.42Å; R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 3.38Å |
| 130 | N | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.8 | -35.5 | -179.5 | -69.7 | -17.1 | 0 | 0 | 0 | 111.6 | L126 L127 A128 L133 M134 | L126-N130 PolarHBondContact O-N 3.39Å; L126-N130 PolarHBondContact O-ND2 2.94Å; L127-N130 PolarHBondContact O-N 3.47Å; A128-N130 VanDerWaalsContact C-N 3.35Å; A128-N130 PolarHBondContact O-N 3.15Å; N130-L133 PolarHBondContact O-N 3.35Å; N130-M134 PolarHBondContact O-N 2.82Å |
| 131 | Y | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 81.3 Ų | 81.3 | 25% | 0.247 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.5 | -174.1 | -145.5 | 0 | 0 | 0 | 112 | V107 M108 P109 L127 A128 R129 L133 M134 L135 | V107-Y131 WeakPolarHBondContact O-CE1 3.33Å; M108-Y131 HydrophobicContact CE-CD1 4.47Å; M108-Y131 HydrophobicContact SD-CD1 4.45Å; P109-Y131 HydrophobicContact CG-CD2 4.27Å; P109-Y131 HydrophobicContact CG-CE2 4.49Å; P109-Y131 HydrophobicContact CG-CG 4.29Å; L127-Y131 WeakPolarHBondContact O-CB 3.29Å; L127-Y131 PolarHBondContact O-N 3.09Å; A128-Y131 PolarHBondContact O-N 3.14Å; R129-Y131 VanDerWaalsContact C-N 3.28Å; R129-Y131 PolarHBondContact O-N 3.39Å; Y131-L133 VanDerWaalsContact C-N 3.32Å; Y131-L133 PolarHBondContact O-N 3.27Å; Y131-M134 HydrophobicContact CD2-CE 3.48Å; Y131-M134 VanDerWaalsContact CD2-CE 3.48Å; Y131-M134 HydrophobicContact CD2-SD 4.2Å; Y131-M134 HydrophobicContact CE2-CE 3.71Å; Y131-M134 HydrophobicContact CE2-SD 4.24Å; Y131-M134 PolarHBondContact O-N 3.41Å; Y131-L135 HydrophobicContact CD1-CD1 4.26Å; Y131-L135 HydrophobicContact CD2-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD2 4.46Å; Y131-L135 HydrophobicContact CD2-CG 3.89Å; Y131-L135 HydrophobicContact CE1-CD1 3.91Å; Y131-L135 HydrophobicContact CE2-CD1 3.71Å; Y131-L135 HydrophobicContact CE2-CD2 3.73Å; Y131-L135 HydrophobicContact CE2-CG 3.6Å; Y131-L135 HydrophobicContact CG-CD1 4.34Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 3.44Å |
| 132 | I | 98.5 | Very high | 98.1 | Very high | 107 Ų | 107 | 81.4 Ų | 81.4 | 55% | 0.549 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 174.5 | -67.9 | 165 | 0 | 0 | 0 | 110.9 | A128 R129 L135 S136 | A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.24Å; R129-I132 PolarHBondContact O-N 3.42Å; I132-L135 PolarHBondContact O-N 2.93Å; I132-S136 WeakPolarHBondContact O-CB 3.37Å; I132-S136 PolarHBondContact O-N 3.39Å; I132-S136 PolarHBondContact O-OG 2.98Å |
| 133 | L | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 83 Ų | 83 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 178.3 | -69.6 | 174.9 | 0 | 0 | 0 | 112.4 | R129 N130 Y131 S136 N137 | R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 3.38Å; N130-L133 PolarHBondContact O-N 3.35Å; Y131-L133 VanDerWaalsContact C-N 3.32Å; Y131-L133 PolarHBondContact O-N 3.27Å; L133-S136 PolarHBondContact O-N 3.23Å; L133-N137 VanDerWaalsContact O-CG 3.28Å; L133-N137 PolarHBondContact O-N 3.44Å; L133-N137 PolarHBondContact O-OD1 3.45Å |
| 134 | M | 98.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 88.2 Ų | 88.2 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 178.6 | 172.7 | -102.3 | -78.9 | 0 | 0 | 111.9 | N130 Y131 S136 N137 S138 | N130-M134 PolarHBondContact O-N 2.82Å; Y131-M134 HydrophobicContact CD2-CE 3.48Å; Y131-M134 VanDerWaalsContact CD2-CE 3.48Å; Y131-M134 HydrophobicContact CD2-SD 4.2Å; Y131-M134 HydrophobicContact CE2-CE 3.71Å; Y131-M134 HydrophobicContact CE2-SD 4.24Å; Y131-M134 PolarHBondContact O-N 3.41Å; M134-S136 VanDerWaalsContact C-N 3.31Å; M134-S136 PolarHBondContact O-N 2.92Å; M134-N137 PolarHBondContact O-N 3.43Å; M134-S138 WeakPolarHBondContact O-CB 3.4Å; M134-S138 PolarHBondContact O-N 3.36Å |
| 135 | L | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 91.7 Ų | 91.7 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.4 | -69.7 | 176.4 | 0 | 0 | 0 | 111.7 | Y131 I132 S138 L139 | Y131-L135 HydrophobicContact CD1-CD1 4.26Å; Y131-L135 HydrophobicContact CD2-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD2 4.46Å; Y131-L135 HydrophobicContact CD2-CG 3.89Å; Y131-L135 HydrophobicContact CE1-CD1 3.91Å; Y131-L135 HydrophobicContact CE2-CD1 3.71Å; Y131-L135 HydrophobicContact CE2-CD2 3.73Å; Y131-L135 HydrophobicContact CE2-CG 3.6Å; Y131-L135 HydrophobicContact CG-CD1 4.34Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 3.44Å; I132-L135 PolarHBondContact O-N 2.93Å; L135-S138 PolarHBondContact O-N 3.26Å; L135-L139 WeakPolarHBondContact O-CB 3.36Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.22Å |
| 136 | S | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 91 Ų | 91 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | I132 L133 M134 L139 E140 | I132-S136 WeakPolarHBondContact O-CB 3.37Å; I132-S136 PolarHBondContact O-N 3.39Å; I132-S136 PolarHBondContact O-OG 2.98Å; L133-S136 PolarHBondContact O-N 3.23Å; M134-S136 VanDerWaalsContact C-N 3.31Å; M134-S136 PolarHBondContact O-N 2.92Å; S136-L139 PolarHBondContact O-N 2.94Å; S136-E140 PolarHBondContact O-N 3.39Å |
| 137 | N | 98.2 | Very high | 97.4 | Very high | 100 Ų | 100 | 90.3 Ų | 90.3 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.4 | -66.9 | -1.4 | 0 | 0 | 0 | 111.4 | L133 M134 L139 E140 E141 | L133-N137 VanDerWaalsContact O-CG 3.28Å; L133-N137 PolarHBondContact O-N 3.44Å; L133-N137 PolarHBondContact O-OD1 3.45Å; M134-N137 PolarHBondContact O-N 3.43Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 3Å; N137-E140 PolarHBondContact O-N 2.98Å; N137-E141 WeakPolarHBondContact O-CB 3.35Å; N137-E141 PolarHBondContact O-N 3.08Å |
| 138 | S | 98.2 | Very high | 97.2 | Very high | 50 Ų | 50 | 92.3 Ų | 92.3 | 35% | 0.35 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | M134 L135 E141 M142 | M134-S138 WeakPolarHBondContact O-CB 3.4Å; M134-S138 PolarHBondContact O-N 3.36Å; L135-S138 PolarHBondContact O-N 3.26Å; S138-E141 PolarHBondContact O-N 3.02Å; S138-M142 WeakPolarHBondContact O-CB 3.29Å; S138-M142 WeakPolarHBondContact O-CE 3.49Å; S138-M142 WeakPolarHBondContact O-CG 3.36Å; S138-M142 PolarHBondContact O-N 3.46Å |
| 139 | L | 98.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.8 | -72.7 | 172.4 | 0 | 0 | 0 | 112.4 | L135 S136 N137 M142 K143 | L135-L139 WeakPolarHBondContact O-CB 3.36Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.22Å; S136-L139 PolarHBondContact O-N 2.94Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 3Å; L139-M142 HydrophobicContact CD2-CE 3.87Å; L139-K143 VanDerWaalsContact O-CG 3.25Å; L139-K143 WeakPolarHBondContact O-CG 3.35Å; L139-K143 PolarHBondContact O-N 3.4Å |
| 140 | E | 97.6 | Very high | 96.4 | Very high | 140 Ų | 140 | 98.7 Ų | 98.7 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -43.9 | 176.7 | -175.7 | 167 | -133.3 | 0 | 0 | 111.9 | S136 N137 K143 R144 | S136-E140 PolarHBondContact O-N 3.39Å; N137-E140 PolarHBondContact O-N 2.98Å; E140-K143 WeakPolarHBondContact O-CB 3.39Å; E140-K143 PolarHBondContact O-N 3.45Å; E140-R144 PolarHBondContact O-N 3.3Å |
| 141 | E | 97.6 | Very high | 94.9 | Very high | 118 Ų | 118 | 96.9 Ų | 96.9 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 176.3 | -175.8 | 169.7 | -159.8 | 0 | 0 | 111.8 | N137 S138 K143 R144 L145 | N137-E141 WeakPolarHBondContact O-CB 3.35Å; N137-E141 PolarHBondContact O-N 3.08Å; S138-E141 PolarHBondContact O-N 3.02Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 2.85Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.38Å; E141-R144 VanDerWaalsContact O-N 3.14Å; E141-L145 HydrophobicContact CG-CD1 4.22Å; E141-L145 WeakPolarHBondContact O-CG 3.37Å; E141-L145 PolarHBondContact O-N 3.28Å |
| 142 | M | 97.5 | Very high | 93.1 | Very high | 96 Ų | 96 | 95.9 Ų | 95.9 | 47% | 0.473 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174.9 | -76.1 | -172.4 | -70.4 | 0 | 0 | 111.9 | S138 L139 R144 L145 V146 | S138-M142 WeakPolarHBondContact O-CB 3.29Å; S138-M142 WeakPolarHBondContact O-CE 3.49Å; S138-M142 WeakPolarHBondContact O-CG 3.36Å; S138-M142 PolarHBondContact O-N 3.46Å; L139-M142 HydrophobicContact CD2-CE 3.87Å; M142-R144 VanDerWaalsContact C-N 3.34Å; M142-R144 PolarHBondContact O-N 2.96Å; M142-L145 PolarHBondContact O-N 3.26Å; M142-V146 WeakPolarHBondContact O-CB 3.49Å; M142-V146 VanDerWaalsContact O-CG2 3.24Å; M142-V146 WeakPolarHBondContact O-CG2 3.43Å; M142-V146 PolarHBondContact O-N 3.48Å |
| 143 | K | 95.8 | Very high | 91.2 | Very high | 145 Ų | 145 | 95.5 Ų | 95.5 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 174.6 | -74.9 | 170.5 | -178.1 | 177.6 | 0 | 112.2 | L139 E140 E141 S147 | L139-K143 VanDerWaalsContact O-CG 3.25Å; L139-K143 WeakPolarHBondContact O-CG 3.35Å; L139-K143 PolarHBondContact O-N 3.4Å; E140-K143 WeakPolarHBondContact O-CB 3.39Å; E140-K143 PolarHBondContact O-N 3.45Å; E141-K143 VanDerWaalsContact C-N 3.32Å; E141-K143 PolarHBondContact O-N 2.85Å; K143-S147 WeakPolarHBondContact O-CB 3.24Å; K143-S147 PolarHBondContact O-N 3Å; K143-S147 PolarHBondContact O-OG 3.39Å |
| 144 | R | 96.2 | Very high | 89.2 | Confident | 140 Ų | 140 | 94.5 Ų | 94.5 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.7 | -166.9 | -167.7 | 74.5 | 71 | 1.9 | 110.8 | E140 E141 M142 S147 E148 | E140-R144 PolarHBondContact O-N 3.3Å; E141-R144 WeakPolarHBondContact O-CB 3.45Å; E141-R144 PolarHBondContact O-N 3.38Å; E141-R144 VanDerWaalsContact O-N 3.14Å; M142-R144 VanDerWaalsContact C-N 3.34Å; M142-R144 PolarHBondContact O-N 2.96Å; R144-S147 PolarHBondContact O-N 2.94Å; R144-E148 IonicContact CZ-OE2 3.54Å; R144-E148 IonicContact NH1-OE2 2.74Å; R144-E148 PolarHBondContact NH1-OE2 2.94Å; R144-E148 IonicContact NH2-OE2 3.59Å; R144-E148 WeakPolarHBondContact O-CB 3.25Å; R144-E148 PolarHBondContact O-N 3.38Å |
| 145 | L | 95.8 | Very high | 87.3 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 179.8 | -68.3 | 173.1 | 0 | 0 | 0 | 112.2 | E141 M142 E148 I149 | E141-L145 HydrophobicContact CG-CD1 4.22Å; E141-L145 WeakPolarHBondContact O-CG 3.37Å; E141-L145 PolarHBondContact O-N 3.28Å; M142-L145 PolarHBondContact O-N 3.26Å; L145-E148 PolarHBondContact O-N 3.03Å; L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.27Å; L145-I149 PolarHBondContact O-N 3.24Å |
| 146 | V | 95.3 | Very high | 85 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 173.5 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | M142 E148 I149 Y150 | M142-V146 WeakPolarHBondContact O-CB 3.49Å; M142-V146 VanDerWaalsContact O-CG2 3.24Å; M142-V146 WeakPolarHBondContact O-CG2 3.43Å; M142-V146 PolarHBondContact O-N 3.48Å; V146-E148 VanDerWaalsContact C-N 3.26Å; V146-E148 PolarHBondContact O-N 3.37Å; V146-I149 PolarHBondContact O-N 3.19Å; V146-Y150 HydrophobicContact CG1-CD2 3.7Å; V146-Y150 HydrophobicContact CG1-CE2 3.99Å; V146-Y150 VanDerWaalsContact O-CD2 3.27Å; V146-Y150 WeakPolarHBondContact O-CD2 3.36Å; V146-Y150 PolarHBondContact O-N 3.45Å |
| 147 | S | 93.2 | Very high | 82.8 | Confident | 81 Ų | 81 | 102.8 Ų | 102.8 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.8 | -33.9 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | K143 R144 G151 | K143-S147 WeakPolarHBondContact O-CB 3.24Å; K143-S147 PolarHBondContact O-N 3Å; K143-S147 PolarHBondContact O-OG 3.39Å; R144-S147 PolarHBondContact O-N 2.94Å; S147-G151 WeakPolarHBondContact O-CA 3.46Å; S147-G151 PolarHBondContact O-N 3.45Å |
| 148 | E | 92.3 | Very high | 80.4 | Confident | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.2 | -49.1 | 173.9 | -169.1 | 169.3 | 178.1 | 0 | 0 | 110.8 | R144 L145 V146 Y150 S152 | R144-E148 IonicContact CZ-OE2 3.54Å; R144-E148 IonicContact NH1-OE2 2.74Å; R144-E148 PolarHBondContact NH1-OE2 2.94Å; R144-E148 IonicContact NH2-OE2 3.59Å; R144-E148 WeakPolarHBondContact O-CB 3.25Å; R144-E148 PolarHBondContact O-N 3.38Å; L145-E148 PolarHBondContact O-N 3.03Å; V146-E148 VanDerWaalsContact C-N 3.26Å; V146-E148 PolarHBondContact O-N 3.37Å; E148-Y150 PolarHBondContact O-N 3.4Å; E148-S152 WeakPolarHBondContact O-CB 3.49Å; E148-S152 PolarHBondContact O-N 3.44Å; E148-S152 PolarHBondContact O-OG 2.69Å |
| 149 | I | 92.9 | Very high | 78.1 | Confident | 121 Ų | 121 | 108.2 Ų | 108.2 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.6 | -45 | 179.2 | -66.3 | 164.6 | 0 | 0 | 0 | 111.9 | L145 V146 | L145-I149 VanDerWaalsContact O-CG1 3.31Å; L145-I149 WeakPolarHBondContact O-CG1 3.27Å; L145-I149 PolarHBondContact O-N 3.24Å; V146-I149 PolarHBondContact O-N 3.19Å |
| 150 | Y | 86.9 | Confident | 75.7 | Confident | 173 Ų | 173 | 111.8 Ų | 111.8 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -85.2 | -33.2 | -176 | -74.3 | -90.7 | 0 | 0 | 0 | 113 | V146 E148 S153 | V146-Y150 HydrophobicContact CG1-CD2 3.7Å; V146-Y150 HydrophobicContact CG1-CE2 3.99Å; V146-Y150 VanDerWaalsContact O-CD2 3.27Å; V146-Y150 WeakPolarHBondContact O-CD2 3.36Å; V146-Y150 PolarHBondContact O-N 3.45Å; E148-Y150 PolarHBondContact O-N 3.4Å; Y150-S153 PolarHBondContact O-OG 3.39Å |
| 151 | G | 67.4 | Low | 74.3 | Confident | 48 Ų | 48 | 109.8 Ų | 109.8 | 50% | 0.495 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -82.7 | -24.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S147 | S147-G151 WeakPolarHBondContact O-CA 3.46Å; S147-G151 PolarHBondContact O-N 3.45Å |
| 152 | S | 60.9 | Low | 72.2 | Confident | 42 Ų | 42 | 109.4 Ų | 109.4 | 29% | 0.294 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.7 | -21.5 | 174.2 | -63.4 | 0 | 0 | 0 | 0 | 113 | E148 G154 H155 H156 | E148-S152 WeakPolarHBondContact O-CB 3.49Å; E148-S152 PolarHBondContact O-N 3.44Å; E148-S152 PolarHBondContact O-OG 2.69Å; S152-G154 PolarHBondContact O-N 2.97Å; S152-H155 PolarHBondContact O-N 2.89Å; S152-H156 VanDerWaalsContact C-NE2 3.34Å; S152-H156 VanDerWaalsContact CB-CE1 3.47Å; S152-H156 WeakPolarHBondContact CB-CE1 3.47Å; S152-H156 WeakPolarHBondContact CB-NE2 3.31Å; S152-H156 PolarHBondContact O-CD2 3.25Å; S152-H156 PolarHBondContact O-NE2 3.05Å |
| 153 | S | 58 | Low | 69.9 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -9.7 | 175.6 | 78.8 | 0 | 0 | 0 | 0 | 115.1 | Y150 | Y150-S153 PolarHBondContact O-OG 3.39Š|
| 154 | G | 56.3 | Low | 67.9 | Low | 55 Ų | 55 | 109.2 Ų | 109.2 | 57% | 0.567 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -6.2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.5 | S152 | S152-G154 PolarHBondContact O-N 2.97Š|
| 155 | H | 57.6 | Low | 65.6 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 78% | 0.778 | 64% | 0.643 | S | S | * | * | trans | -144 | 42 | -168.5 | -66.9 | 91.1 | 0 | 0 | 0 | 115.4 | S152 | S152-H155 PolarHBondContact O-N 2.89Š| ||
| 156 | H | 51.1 | Low | 63.3 | Low | 157 Ų | 157 | 109.3 Ų | 109.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -98.3 | 48.9 | 167.6 | -54.7 | -71 | 0 | 0 | 0 | 112.8 | S152 | S152-H156 VanDerWaalsContact C-NE2 3.34Å; S152-H156 VanDerWaalsContact CB-CE1 3.47Å; S152-H156 WeakPolarHBondContact CB-CE1 3.47Å; S152-H156 WeakPolarHBondContact CB-NE2 3.31Å; S152-H156 PolarHBondContact O-CD2 3.25Å; S152-H156 PolarHBondContact O-NE2 3.05Å | ||
| 157 | G | 51 | Low | 61.3 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | trans | -118.3 | 16.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 158 | G | 48.1 | Very low | 58.9 | Low | 61 Ų | 61 | 114.8 Ų | 114.8 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | trans | -140.7 | 71.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H160 | G158-H160 PolarHBondContact O-N 3.36Š| ||
| 159 | F | 49.3 | Very low | 56.8 | Low | 203 Ų | 203 | 118.4 Ų | 118.4 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | trans | -56.5 | 120.7 | 159 | -134.4 | -101.1 | 0 | 0 | 0 | 108.6 | P161 | F159-P161 HydrophobicContact CD1-CG 4.05Å; F159-P161 HydrophobicContact CE1-CG 4.1Å | ||
| 160 | H | 48.2 | Very low | 54.4 | Low | 173 Ų | 173 | 117.4 Ų | 117.4 | 80% | 0.801 | 72% | 0.717 | S | S | * | * | trans | -142.4 | 104.3 | 158.1 | 76.5 | 141.8 | 0 | 0 | 0 | 111.3 | G158 | G158-H160 PolarHBondContact O-N 3.36Š| ||
| 161 | P | 69.2 | Low | 52.1 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -108.4 | 106.2 | 161.7 | 32.5 | -19.1 | 0 | 0 | 0 | 108.6 | F159 | F159-P161 HydrophobicContact CD1-CG 4.05Å; F159-P161 HydrophobicContact CE1-CG 4.1Å | ||
| 162 | S | 52.8 | Low | 51.5 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 180 | 136.2 | 168.1 | -122.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 163 | T | 50.2 | Low | 50.9 | Low | 121 Ų | 121 | 120.9 Ų | 120.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | cis | -161.8 | 143.5 | 27.9 | -70.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 164 | C | 53.6 | Low | 50.9 | Low | 115 Ų | 115 | 121.7 Ų | 121.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -68.7 | 143.7 | 169.5 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 165 | G | 46.8 | Very low | 50 | Low | 67 Ų | 67 | 122.5 Ų | 122.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 69.7 | 133.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 166 | T | 47.1 | Very low | 49.3 | Very low | 148 Ų | 148 | 123 Ų | 123 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | 179.1 | 146.1 | 120 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 167 | M | 53.8 | Low | 49.4 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 77% | 0.768 | 78% | 0.778 | S | S | * | * | trans | -98.3 | 160.6 | -168.9 | -56.5 | -82.2 | 144.1 | 0 | 0 | 112.9 | ||||
| 168 | T | 43.3 | Very low | 48.9 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 90.1 | 136.1 | 138.3 | 68.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 169 | H | 48.6 | Very low | 48.6 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | 90.7 | 109.4 | 141.3 | -66.8 | -56.5 | 0 | 0 | 0 | 124.6 | ||||
| 170 | A | 41.7 | Very low | 48.3 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | 62.9 | 136.7 | 123.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 171 | G | 39.3 | Very low | 48.2 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -77.1 | -152.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 172 | P | 55.4 | Low | 46.9 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -142.3 | 179.6 | 27.2 | 39.8 | -17 | 0 | 0 | 0 | 118.8 | ||||
| 173 | V | 46.9 | Very low | 46.2 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -59.8 | -177.1 | 172.4 | -65 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 174 | P | 59.2 | Low | 46 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -151.9 | 175.4 | 18.5 | 40.5 | -16.6 | 0 | 0 | 0 | 120.1 | ||||
| 175 | G | 37.3 | Very low | 45.8 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 168.6 | 109.3 | 161 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 176 | H | 42.3 | Very low | 45.4 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -95.9 | -176.8 | 179.9 | -41.8 | -76.9 | 0 | 0 | 0 | 111.4 | ||||
| 177 | P | 53.7 | Low | 45.4 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | cis | -141.9 | 167.6 | 3.9 | 39.6 | -18.2 | 0 | 0 | 0 | 118.7 | ||||
| 178 | A | 41 | Very low | 44.7 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 37.5 | 124.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 179 | A | 40.7 | Very low | 45.3 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | -165.2 | 134.8 | 124.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 180 | S | 42.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -77.4 | 148.8 | -171.7 | -34.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 181 | H | 46.6 | Very low | 45.4 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | trans | -162.8 | 148.9 | 138.4 | -89.8 | -65 | 0 | 0 | 0 | 111.2 | ||||
| 182 | A | 42.5 | Very low | 46.1 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -83.9 | 152.8 | -153.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 183 | S | 38.8 | Very low | 46.5 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -161.8 | 126.9 | 141.1 | 31.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 184 | H | 45.5 | Very low | 47.1 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 153.9 | 174.8 | -66.9 | -86.4 | 0 | 0 | 0 | 111.1 | ||||
| 185 | P | 48.7 | Very low | 47 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | -150 | -178.1 | 80 | 36.8 | -15.8 | 0 | 0 | 0 | 115.6 | |||||
| 186 | A | 38.3 | Very low | 47.6 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | 97.6 | 101.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 187 | V | 47.8 | Very low | 47.9 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -65.5 | 127.9 | 164.8 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 188 | H | 38.3 | Very low | 47.7 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -91 | 124.4 | 178.4 | -149.4 | -117.4 | 0 | 0 | 0 | 108.9 | ||||
| 189 | H | 55.5 | Low | 48 | Very low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -122.9 | 142.9 | 164.9 | -98.8 | -39.3 | 0 | 0 | 0 | 110.3 | ||||
| 190 | P | 51.4 | Low | 48 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | trans | -78.5 | 146.5 | -168.1 | -9.9 | 28 | 0 | 0 | 0 | 114 | ||||
| 191 | L | 41.5 | Very low | 48 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -51 | 135.9 | 174.7 | -87.2 | 66.4 | 0 | 0 | 0 | 114.2 | ||||
| 192 | L | 53.8 | Low | 47.8 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -113.2 | 145.5 | 154.9 | -102.6 | 80.4 | 0 | 0 | 0 | 110.5 | ||||
| 193 | P | 63.5 | Low | 47.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 164.1 | -177.2 | 2.9 | 17.3 | 0 | 0 | 0 | 113.8 | ||
| 194 | P | 61.4 | Low | 48 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 155.6 | 178.2 | 31.9 | -34.3 | 0 | 0 | 0 | 113.3 | A196 | P194-A196 PolarHBondContact O-N 3.48Š|
| 195 | P | 55.8 | Low | 48.3 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 122 | 179.7 | 30.2 | -32.7 | 0 | 0 | 0 | 112 | ||
| 196 | A | 50.6 | Low | 48 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 135.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P194 S198 | P194-A196 PolarHBondContact O-N 3.48Å; A196-S198 PolarHBondContact O-N 2.97Å |
| 197 | V | 49.4 | Very low | 48.1 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -75.9 | 115.9 | 173.2 | -76.1 | 0 | 0 | 0 | 0 | 109.9 | T199 | V197-T199 PolarHBondContact O-N 3.49Š| ||
| 198 | S | 48.8 | Very low | 47.5 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 110.2 | 173.7 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | A196 | A196-S198 PolarHBondContact O-N 2.97Š| ||
| 199 | T | 46.7 | Very low | 47.4 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -78.9 | 114.8 | 160.7 | 47.3 | 0 | 0 | 0 | 0 | 109 | V197 S201 | V197-T199 PolarHBondContact O-N 3.49Å; T199-S201 PolarHBondContact O-N 2.92Å | ||
| 200 | A | 40.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -82.2 | 107.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 201 | S | 43.6 | Very low | 46 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -86.3 | 122.2 | 162.5 | -64.4 | 0 | 0 | 0 | 0 | 108.6 | T199 | T199-S201 PolarHBondContact O-N 2.92Š| ||
| 202 | L | 40.6 | Very low | 45.8 | Very low | 173 Ų | 173 | 121.7 Ų | 121.7 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -98.8 | 97.9 | 171.1 | -69 | 170.2 | 0 | 0 | 0 | 108.8 | ||||
| 203 | S | 39.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 116.9 | 162.8 | -66.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 204 | A | 47.1 | Very low | 43.6 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 137.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 205 | P | 50.9 | Low | 42.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 136.1 | 164.2 | 31.7 | -25.1 | 0 | 0 | 0 | 110.4 | ||
| 206 | G | 43.8 | Very low | 42 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 154.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 207 | I | 40.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -148.9 | 122.6 | 155 | 45.6 | 172.7 | 0 | 0 | 0 | 111.1 | ||||
| 208 | S | 33.3 | Very low | 40.7 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 54.6 | 101.2 | 138.3 | -53.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 209 | A | 36.9 | Very low | 40.3 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | 38.5 | 114.4 | 109.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 210 | V | 42.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 35.8 | 125.7 | 140.3 | -60.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 211 | T | 34.8 | Very low | 40.1 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | -176.9 | 138.9 | 104.9 | 16.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 212 | S | 37.3 | Very low | 39.9 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 14.8 | 137.3 | 147.2 | -141.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 213 | V | 33.3 | Very low | 40.2 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | -168.8 | 140.2 | 74.9 | 162.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 214 | R | 38.6 | Very low | 40 | Very low | 195 Ų | 195 | 130 Ų | 130 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -86.7 | 145.4 | 165.6 | 167.7 | 174.2 | 173.2 | 158.2 | 4.2 | 108.4 | H216 | R214-H216 PolarHBondContact NE-CD2 3.05Å; R214-H216 PolarHBondContact NE-NE2 3.44Å; R214-H216 PolarHBondContact NH2-NE2 3.22Å | ||
| 215 | P | 44.1 | Very low | 39.8 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -159.7 | 150 | 82.4 | 37.6 | -13.3 | 0 | 0 | 0 | 123.6 | |||||
| 216 | H | 39.9 | Very low | 39 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 55% | 0.551 | 79% | 0.788 | S | S | * | * | trans | 59.3 | 138 | 130.9 | -56.8 | -140.2 | 0 | 0 | 0 | 118.3 | R214 | R214-H216 PolarHBondContact NE-CD2 3.05Å; R214-H216 PolarHBondContact NE-NE2 3.44Å; R214-H216 PolarHBondContact NH2-NE2 3.22Å | ||
| 217 | H | 37.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | cis | -156.8 | 140.6 | 37.9 | -67 | -104.6 | 0 | 0 | 0 | 107.6 | ||||
| 218 | G | 35 | Very low | 38.6 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | 96.1 | 104.2 | 77.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 219 | L | 41.4 | Very low | 39.3 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -178.3 | 146.7 | 134.8 | -102.9 | 161.4 | 0 | 0 | 0 | 112.6 | ||||
| 220 | L | 46.2 | Very low | 40 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -107.6 | 135.6 | -157.1 | -28.9 | 157.3 | 0 | 0 | 0 | 108.5 | ||||
| 221 | K | 36.8 | Very low | 39.6 | Very low | 205 Ų | 205 | 127.6 Ų | 127.6 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -168.3 | 106.7 | 137.7 | -147.7 | 80 | 175.5 | -174.3 | 0 | 111.3 | ||||
| 222 | A | 38.4 | Very low | 40.3 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -93.9 | 159.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 223 | P | 46.4 | Very low | 40.3 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -108 | 154.9 | 140.5 | 17.6 | -0.4 | 0 | 0 | 0 | 111.3 | ||||
| 224 | T | 36.1 | Very low | 40.9 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 158.1 | -160.9 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 225 | A | 42.4 | Very low | 41.2 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -61.3 | 148.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 226 | G | 33.9 | Very low | 41 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -126.8 | 115.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 227 | A | 42 | Very low | 41.3 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -82.5 | 139.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 228 | G | 34.5 | Very low | 41.6 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 178.3 | 152.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 229 | P | 47.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | -93.5 | 163.4 | -125.5 | 34.7 | -36 | 0 | 0 | 0 | 116.1 | G231 | P229-G231 PolarHBondContact O-N 3.35Å; P229-G231 VanDerWaalsContact O-N 3.14Å | |||
| 230 | L | 51.4 | Low | 42.8 | Very low | 190 Ų | 190 | 126 Ų | 126 | 100% | 0.995 | 78% | 0.784 | S | S | * | * | trans | -44.3 | 108.3 | 173.2 | -65.6 | 158.6 | 0 | 0 | 0 | 112.5 | ||||
| 231 | G | 35.2 | Very low | 43.3 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | -136.4 | 124 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P229 S233 | P229-G231 PolarHBondContact O-N 3.35Å; P229-G231 VanDerWaalsContact O-N 3.14Å; G231-S233 PolarHBondContact O-N 2.96Å | ||
| 232 | S | 48.7 | Very low | 43.9 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 83 | 176 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | F234 | S232-F234 PolarHBondContact O-N 3.37Š| ||
| 233 | S | 37.6 | Very low | 45.2 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -86.1 | 94.1 | 178.9 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | G231 Q235 | G231-S233 PolarHBondContact O-N 2.96Å; S233-Q235 PolarHBondContact O-N 2.93Å | ||
| 234 | F | 45.5 | Very low | 46.2 | Very low | 197 Ų | 197 | 122.7 Ų | 122.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -63.5 | 104.6 | 159.6 | -155.7 | -95.9 | 0 | 0 | 0 | 105.7 | S232 H236 | S232-F234 PolarHBondContact O-N 3.37Å; F234-H236 PolarHBondContact O-N 3.33Å | ||
| 235 | Q | 45.3 | Very low | 47.7 | Very low | 148 Ų | 148 | 117.8 Ų | 117.8 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -44.3 | 110.2 | -173.9 | -67.5 | -83.2 | 31.4 | 0 | 0 | 109.9 | S233 W237 | S233-Q235 PolarHBondContact O-N 2.93Å; Q235-W237 PolarHBondContact O-N 2.93Å | ||
| 236 | H | 40.2 | Very low | 49 | Very low | 117 Ų | 117 | 119 Ų | 119 | 54% | 0.542 | 75% | 0.751 | S | S | . | * | trans | -59.5 | 123.8 | 172.5 | 87.9 | -85 | 0 | 0 | 0 | 107 | F234 G238 V239 | F234-H236 PolarHBondContact O-N 3.33Å; H236-G238 PolarHBondContact CD2-N 2.9Å; H236-G238 PolarHBondContact O-N 2.74Å; H236-G238 VanDerWaalsContact O-N 3.07Å; H236-V239 PolarHBondContact CD2-N 3.24Å; H236-V239 VanDerWaalsContact CD2-N 3.3Å; H236-V239 PolarHBondContact NE2-N 2.97Å; H236-V239 VanDerWaalsContact NE2-N 3.14Å | ||
| 237 | W | 45.9 | Very low | 50.7 | Low | 254 Ų | 254 | 116.2 Ų | 116.2 | 96% | 0.962 | 72% | 0.718 | S | S | * | * | trans | -69.1 | 106.1 | 165.7 | -78.7 | 76.3 | 0 | 0 | 0 | 107.3 | Q235 | Q235-W237 PolarHBondContact O-N 2.93Š| ||
| 238 | G | 42.1 | Very low | 52 | Low | 53 Ų | 53 | 116 Ų | 116 | 55% | 0.546 | 71% | 0.709 | S | S | . | * | trans | 49.5 | 83.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | H236 G240 | H236-G238 PolarHBondContact CD2-N 2.9Å; H236-G238 PolarHBondContact O-N 2.74Å; H236-G238 VanDerWaalsContact O-N 3.07Å; G238-G240 PolarHBondContact O-N 3.31Å | ||
| 239 | V | 51.1 | Low | 53.7 | Low | 136 Ų | 136 | 118.6 Ų | 118.6 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -70.6 | 87.3 | 152.3 | 174.8 | 0 | 0 | 0 | 0 | 107.5 | H236 | H236-V239 PolarHBondContact CD2-N 3.24Å; H236-V239 VanDerWaalsContact CD2-N 3.3Å; H236-V239 PolarHBondContact NE2-N 2.97Å; H236-V239 VanDerWaalsContact NE2-N 3.14Å |
| 240 | G | 51.8 | Low | 54.8 | Low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 169.6 | 79.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G238 | G238-G240 PolarHBondContact O-N 3.31Š|
| 241 | T | 56.3 | Low | 55.7 | Low | 157 Ų | 157 | 112.7 Ų | 112.7 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 68.1 | 41.3 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 242 | G | 49.5 | Very low | 57.3 | Low | 59 Ų | 59 | 115.7 Ų | 115.7 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | trans | -109.2 | 97.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | P244 | G242-P244 WeakPolarHBondContact O-CD 3.49Š| ||
| 243 | M | 65.9 | Low | 57.8 | Low | 183 Ų | 183 | 114.2 Ų | 114.2 | 90% | 0.901 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -58 | 121.8 | 169.4 | -73.2 | -72.8 | -76.5 | 0 | 0 | 108.9 | C245 | M243-C245 PolarHBondContact O-N 2.92Š|
| 244 | P | 68.3 | Low | 59.1 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 140.6 | 178 | 23.9 | -32.1 | 0 | 0 | 0 | 109.4 | G242 P246 | G242-P244 WeakPolarHBondContact O-CD 3.49Å; P244-P246 WeakPolarHBondContact O-CD 3.36Å; P244-P246 VanDerWaalsContact O-N 3.11Å |
| 245 | C | 65.8 | Low | 59.9 | Low | 37 Ų | 37 | 111.3 Ų | 111.3 | 25% | 0.25 | 66% | 0.659 | C | S | . | * | P | Polyproline II helix | trans | -56.1 | 121.8 | 174 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | M243 C247 C250 | M243-C245 PolarHBondContact O-N 2.92Å; C245-C247 WeakPolarHBondContact CB-SG 3.03Å; C245-C247 PolarHBondContact O-N 3.14Å; C245-C247 WeakPolarHBondContact SG-CB 3.41Å; C245-C247 CovalentContact SG-SG 2.07Å; C245-C247 PolarHBondContact SG-SG 2.76Å; C245-C250 HydrophobicContact CB-CB 3.81Å |
| 246 | P | 70.6 | Confident | 60.2 | Low | 129 Ų | 129 | 112 Ų | 112 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -72.6 | 10.4 | 179 | 32 | -37.1 | 0 | 0 | 0 | 112.3 | P244 | P244-P246 WeakPolarHBondContact O-CD 3.36Å; P244-P246 VanDerWaalsContact O-N 3.11Å | ||
| 247 | C | 70 | Confident | 60.7 | Low | 23 Ų | 23 | 113 Ų | 113 | 16% | 0.155 | 68% | 0.676 | C | S | . | * | trans | -78.7 | 127 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | C245 M249 C250 Q251 | C245-C247 WeakPolarHBondContact CB-SG 3.03Å; C245-C247 PolarHBondContact O-N 3.14Å; C245-C247 WeakPolarHBondContact SG-CB 3.41Å; C245-C247 CovalentContact SG-SG 2.07Å; C245-C247 PolarHBondContact SG-SG 2.76Å; C247-M249 PolarHBondContact O-N 2.95Å; C247-C250 PolarHBondContact O-N 2.89Å; C247-C250 WeakPolarHBondContact SG-CB 3.47Å; C247-C250 PolarHBondContact SG-SG 3.41Å; C247-Q251 PolarHBondContact O-N 2.92Å | ||
| 248 | S | 69.7 | Low | 60.8 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -20.3 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 114 | ||
| 249 | M | 68.6 | Low | 61 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 62% | 0.616 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -21.1 | 178.2 | -58.1 | -57.8 | -66.6 | 0 | 0 | 114.5 | H95 C247 | H95-M249 WeakPolarHBondContact NE2-CE 3.19Å; C247-M249 PolarHBondContact O-N 2.95Å |
| 250 | C | 71.1 | Confident | 61 | Low | 70 Ų | 70 | 109.6 Ų | 109.6 | 47% | 0.473 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -4.1 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | C245 C247 V252 | C245-C250 HydrophobicContact CB-CB 3.81Å; C247-C250 PolarHBondContact O-N 2.89Å; C247-C250 WeakPolarHBondContact SG-CB 3.47Å; C247-C250 PolarHBondContact SG-SG 3.41Å; C250-V252 PolarHBondContact O-N 2.9Å |
| 251 | Q | 71 | Confident | 60.8 | Low | 129 Ų | 129 | 111.9 Ų | 111.9 | 60% | 0.603 | 68% | 0.679 | S | S | * | * | trans | -67.9 | 101.7 | 169.4 | -162.9 | 91.8 | 30.1 | 0 | 0 | 107.8 | C247 P253 | C247-Q251 PolarHBondContact O-N 2.92Å; Q251-P253 WeakPolarHBondContact O-CD 3.44Å | ||
| 252 | V | 67.4 | Low | 60.3 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 75% | 0.745 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.7 | 168.6 | -178.7 | 0 | 0 | 0 | 0 | 107 | C250 | C250-V252 PolarHBondContact O-N 2.9Š|
| 253 | P | 60.6 | Low | 60.3 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 136 | 176.1 | -21.2 | 30.8 | 0 | 0 | 0 | 109.9 | Q251 | Q251-P253 WeakPolarHBondContact O-CD 3.44Š|
| 254 | P | 65.4 | Low | 59.5 | Low | 112 Ų | 112 | 109.8 Ų | 109.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 139 | 173 | -19.9 | 29.9 | 0 | 0 | 0 | 109.7 | H256 | P254-H256 PolarHBondContact O-N 3.21Š|
| 255 | P | 60.7 | Low | 58.3 | Low | 117 Ų | 117 | 112.7 Ų | 112.7 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.1 | 172.7 | 25.6 | -31.6 | 0 | 0 | 0 | 107.9 | V257 | P255-V257 PolarHBondContact O-N 3.4Å; P255-V257 VanDerWaalsContact O-N 3.1Å |
| 256 | H | 52.1 | Low | 57.6 | Low | 163 Ų | 163 | 116.5 Ų | 116.5 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -63 | 113.3 | 169.8 | 54 | -86 | 0 | 0 | 0 | 106.9 | P254 S258 | P254-H256 PolarHBondContact O-N 3.21Å; H256-S258 PolarHBondContact O-N 3.41Å; H256-S258 VanDerWaalsContact O-N 3.1Å | ||
| 257 | V | 50.7 | Low | 56.5 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | trans | -71.3 | 102.7 | 166.2 | -68.8 | 0 | 0 | 0 | 0 | 106.7 | P255 S259 | P255-V257 PolarHBondContact O-N 3.4Å; P255-V257 VanDerWaalsContact O-N 3.1Å; V257-S259 PolarHBondContact O-N 3.49Å | ||
| 258 | S | 47.2 | Very low | 55.3 | Low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | -65.1 | 100.1 | 167.5 | -66.8 | 0 | 0 | 0 | 0 | 107.7 | H256 M260 | H256-S258 PolarHBondContact O-N 3.41Å; H256-S258 VanDerWaalsContact O-N 3.1Å; S258-M260 PolarHBondContact O-N 2.74Å | ||
| 259 | S | 47.5 | Very low | 54.3 | Low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -63.1 | 98.8 | 169.1 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | V257 S261 | V257-S259 PolarHBondContact O-N 3.49Å; S259-S261 PolarHBondContact O-N 3.47Å; S259-S261 VanDerWaalsContact O-N 3.1Å | ||
| 260 | M | 50.8 | Low | 53.4 | Low | 172 Ų | 172 | 128.6 Ų | 128.6 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -73.7 | 93.6 | 171.2 | 48.7 | -172.1 | 86.8 | 0 | 0 | 108.3 | S258 S262 | S258-M260 PolarHBondContact O-N 2.74Å; M260-S262 PolarHBondContact O-N 2.96Å; M260-S262 VanDerWaalsContact O-N 3.11Å | ||
| 261 | S | 46.7 | Very low | 52.5 | Low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 107.8 | 164.9 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | S259 V263 | S259-S261 PolarHBondContact O-N 3.47Å; S259-S261 VanDerWaalsContact O-N 3.1Å; S261-V263 PolarHBondContact O-N 2.94Å | ||
| 262 | S | 46.6 | Very low | 51.6 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -68.4 | 94 | 170.7 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | M260 T264 | M260-S262 PolarHBondContact O-N 2.96Å; M260-S262 VanDerWaalsContact O-N 3.11Å; S262-T264 PolarHBondContact O-N 3.03Å; S262-T264 VanDerWaalsContact O-N 3.15Å | ||
| 263 | V | 49.1 | Very low | 50.5 | Low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -68.5 | 108.9 | 165 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | S261 | S261-V263 PolarHBondContact O-N 2.94Š| ||
| 264 | T | 50.5 | Low | 50 | Low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -84.2 | 113.4 | 176.3 | -47.4 | 0 | 0 | 0 | 0 | 107.7 | S262 | S262-T264 PolarHBondContact O-N 3.03Å; S262-T264 VanDerWaalsContact O-N 3.15Å | ||
| 265 | M | 43.2 | Very low | 49.2 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 127.7 | 173.4 | -74.7 | -85.6 | -176.5 | 0 | 0 | 109.9 | ||
| 266 | P | 51 | Low | 48.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129.3 | 171.7 | 27.6 | -28.8 | 0 | 0 | 0 | 110.9 | L268 | P266-L268 PolarHBondContact O-N 2.93Š|
| 267 | R | 47.5 | Very low | 48.3 | Very low | 248 Ų | 248 | 142.8 Ų | 142.8 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 125.8 | 173.3 | -103.2 | -162.5 | 167.7 | -170.7 | -2.4 | 110.6 | ||
| 268 | L | 44.8 | Very low | 48.2 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 119.4 | 163.9 | -73 | 163.3 | 0 | 0 | 0 | 109.1 | P266 | P266-L268 PolarHBondContact O-N 2.93Š|
| 269 | A | 48.7 | Very low | 48.2 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 125.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | D271 | A269-D271 PolarHBondContact O-N 3.34Š|
| 270 | S | 48.4 | Very low | 48.3 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -75.3 | 115.7 | 167.4 | 70 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 271 | D | 52.2 | Low | 48.1 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -93.5 | 133.5 | 164.3 | -164.3 | -110.7 | 0 | 0 | 0 | 108.8 | A269 | A269-D271 PolarHBondContact O-N 3.34Š| ||
| 272 | S | 52.4 | Low | 48.2 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 84% | 0.843 | S | S | * | * | trans | -96 | 126.4 | -178.9 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 273 | K | 44.3 | Very low | 48.4 | Very low | 276 Ų | 276 | 155.4 Ų | 155.4 | 100% | 1.2 | 85% | 0.851 | S | S | * | * | trans | -162.4 | 0 | 138.6 | -159.8 | 158.6 | -177.5 | 171.2 | 0 | 112.2 |
Retrieved 273 of 273 residues in 91.5 ms
(Link to these results)