| 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 | 36.8 | Very low | 48.6 | Very low | 242 Ų | 242 | 168.2 Ų | 168.2 | 100% | 1.192 | 86% | 0.86 | S | S | * | * | 0 | 138.9 | 0 | -69.6 | 163 | 90 | 0 | 0 | 108.6 | |||||
| 2 | S | 43.3 | Very low | 48.1 | Very low | 128 Ų | 128 | 171.3 Ų | 171.3 | 90% | 0.895 | 86% | 0.856 | S | S | * | * | trans | 61.6 | 86.6 | 172.7 | -70.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | F | 46.5 | Very low | 48.2 | Very low | 212 Ų | 212 | 169 Ų | 169 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | trans | -77.4 | 142.2 | 152.5 | -95.1 | -91.1 | 0 | 0 | 0 | 110.8 | ||||
| 4 | K | 49.3 | Very low | 47.8 | Very low | 194 Ų | 194 | 170.5 Ų | 170.5 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | 81.1 | 94.2 | 150.8 | -134.4 | 166.7 | -174.3 | 176.5 | 0 | 117.2 | ||||
| 5 | R | 56.7 | Low | 47.9 | Very low | 230 Ų | 230 | 166.1 Ų | 166.1 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.4 | 150.5 | -61.4 | 179 | -174.1 | 159.1 | 1.1 | 108.5 | ||
| 6 | P | 53.8 | Low | 48.1 | Very low | 125 Ų | 125 | 164.3 Ų | 164.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 118.5 | 169.3 | 27.9 | -27.3 | 0 | 0 | 0 | 110.2 | ||
| 7 | C | 50.3 | Low | 48 | Very low | 109 Ų | 109 | 165.1 Ų | 165.1 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 136.6 | 158.6 | -60.4 | 0 | 0 | 0 | 0 | 108.6 | L9 | C7-L9 PolarHBondContact O-N 3.09Å; C7-L9 VanDerWaalsContact O-N 3.13Å |
| 8 | P | 52.9 | Low | 47.6 | Very low | 131 Ų | 131 | 166.5 Ų | 166.5 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -79.4 | 95.4 | 167.2 | 31.3 | -27.2 | 0 | 0 | 0 | 107.8 | A10 | P8-A10 PolarHBondContact O-N 2.96Š| ||
| 9 | L | 48.9 | Very low | 47 | Very low | 159 Ų | 159 | 167.9 Ų | 167.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -71.2 | 112.9 | 171.2 | -107.1 | 167.8 | 0 | 0 | 0 | 109 | C7 | C7-L9 PolarHBondContact O-N 3.09Å; C7-L9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | A | 44.4 | Very low | 47 | Very low | 66 Ų | 66 | 163.9 Ų | 163.9 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | trans | 42.5 | 112.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | P8 Y12 | P8-A10 PolarHBondContact O-N 2.96Å; A10-Y12 PolarHBondContact O-N 3.29Å | ||
| 11 | R | 51.5 | Low | 47 | Very low | 254 Ų | 254 | 162.8 Ų | 162.8 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -39.8 | 111.3 | 153.5 | -74.8 | 179.2 | 175.7 | 172.2 | -1.8 | 110.7 | ||||
| 12 | Y | 42.6 | Very low | 47.5 | Very low | 205 Ų | 205 | 160.7 Ų | 160.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 97.1 | 155.4 | -99.6 | -89.6 | 0 | 0 | 0 | 108.3 | A10 R14 | A10-Y12 PolarHBondContact O-N 3.29Å; Y12-R14 PolarHBondContact O-N 2.98Å | ||
| 13 | N | 49.3 | Very low | 47.7 | Very low | 142 Ų | 142 | 160.5 Ų | 160.5 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 108.1 | 155.2 | -176.3 | -13.5 | 0 | 0 | 0 | 106.5 | ||||
| 14 | R | 43.7 | Very low | 47.6 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 97.6 | 165.1 | -153 | 175.5 | -170.1 | 161.5 | 3.6 | 109 | Y12 | Y12-R14 PolarHBondContact O-N 2.98Š| ||
| 15 | T | 49.3 | Very low | 47.6 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | trans | -52.3 | 151.5 | 164.4 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | N | 49.9 | Very low | 47.5 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 65.6 | 78.1 | 157.2 | -107.1 | -58.5 | 0 | 0 | 0 | 117.7 | ||||
| 17 | Y | 47.6 | Very low | 47.2 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -126.4 | 94.3 | 139.6 | -76.1 | -81.4 | 0 | 0 | 0 | 108.3 | Y19 | Y17-Y19 PolarHBondContact O-N 2.98Š| ||
| 18 | F | 40.2 | Very low | 47.1 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | -63.8 | 80.3 | 159.1 | -146.5 | -90 | 0 | 0 | 0 | 106.5 | P20 | F18-P20 VanDerWaalsContact O-CD 3.26Å; F18-P20 WeakPolarHBondContact O-CD 3.42Å | ||
| 19 | Y | 36.3 | Very low | 47.1 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | -67.6 | 116 | 165.3 | -109.9 | -92.8 | 0 | 0 | 0 | 105.7 | Y17 T21 | Y17-Y19 PolarHBondContact O-N 2.98Å; Y19-T21 PolarHBondContact O-N 3.16Å | ||
| 20 | P | 46.4 | Very low | 47.4 | Very low | 87 Ų | 87 | 148.3 Ų | 148.3 | 57% | 0.565 | 73% | 0.733 | S | S | * | * | trans | -60.4 | 118.9 | 165.6 | -12 | 27.8 | 0 | 0 | 0 | 105.6 | F18 F22 | F18-P20 VanDerWaalsContact O-CD 3.26Å; F18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 HydrophobicContact CB-CD2 4.49Å; P20-F22 PolarHBondContact O-N 3.07Å | ||
| 21 | T | 48.3 | Very low | 47.8 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | -52.9 | 88.6 | 174 | 44.8 | 0 | 0 | 0 | 0 | 109.9 | Y19 | Y19-T21 PolarHBondContact O-N 3.16Š| ||
| 22 | F | 46.9 | Very low | 47.9 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.873 | 72% | 0.723 | S | S | * | * | trans | -103.5 | 14.9 | 170.8 | -108.2 | -79.2 | 0 | 0 | 0 | 111.8 | P20 | P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 HydrophobicContact CB-CD2 4.49Å; P20-F22 PolarHBondContact O-N 3.07Å | ||
| 23 | S | 48 | Very low | 48.8 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -108.3 | 18.4 | -170.6 | -147.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 24 | E | 43.8 | Very low | 49.3 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -149.6 | 71.4 | 175.7 | -160.5 | 168.1 | 135.4 | 0 | 0 | 112.1 | ||
| 25 | S | 48.5 | Very low | 51.1 | Low | 63 Ų | 63 | 131.3 Ų | 131.3 | 44% | 0.441 | 69% | 0.691 | S | S | . | * | trans | -159.2 | 27.9 | 172.4 | 179 | 0 | 0 | 0 | 0 | 113.4 | E27 | S25-E27 PolarHBondContact O-N 2.84Š| ||
| 26 | S | 54.3 | Low | 52.9 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -77.1 | -5.8 | 173.8 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | S29 | S26-S29 PolarHBondContact O-OG 2.87Š|
| 27 | E | 48.4 | Very low | 54.6 | Low | 174 Ų | 174 | 129.7 Ų | 129.7 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -121.9 | 4.8 | -175 | -56.5 | -157.5 | 139 | 0 | 0 | 115.2 | S25 | S25-E27 PolarHBondContact O-N 2.84Š|
| 28 | H | 47.3 | Very low | 56.6 | Low | 125 Ų | 125 | 125.5 Ų | 125.5 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | trans | -118.2 | 28.6 | 177.1 | -68.4 | 88.7 | 0 | 0 | 0 | 113.1 | H30 L31 | H28-H30 PolarHBondContact O-N 2.85Å; H28-L31 PolarHBondContact O-N 3.38Å | ||
| 29 | S | 54.4 | Low | 59.1 | Low | 75 Ų | 75 | 118.7 Ų | 118.7 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | 2.2 | -167.6 | -41.6 | 0 | 0 | 0 | 0 | 116.2 | S26 | S26-S29 PolarHBondContact O-OG 2.87Š|
| 30 | H | 53.4 | Low | 61.8 | Low | 170 Ų | 170 | 112.5 Ų | 112.5 | 79% | 0.787 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -7.2 | -179.7 | -68.8 | -76.9 | 0 | 0 | 0 | 115.1 | H28 | H28-H30 PolarHBondContact O-N 2.85Š|
| 31 | L | 54 | Low | 64 | Low | 149 Ų | 149 | 111 Ų | 111 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -16.5 | -179.8 | -72.2 | 173 | 0 | 0 | 0 | 113.8 | H28 V33 | H28-L31 PolarHBondContact O-N 3.38Å; L31-V33 PolarHBondContact O-N 3.35Å |
| 32 | L | 54.3 | Low | 66.3 | Low | 98 Ų | 98 | 108.5 Ų | 108.5 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | trans | -87 | 19.5 | 166.8 | -63.1 | 177.3 | 0 | 0 | 0 | 112.5 | S34 L37 | L32-S34 PolarHBondContact O-N 3.25Å; L32-L37 WeakPolarHBondContact O-CD1 2.93Å; L32-L37 WeakPolarHBondContact O-CG 2.73Å | ||
| 33 | V | 60 | Low | 68.7 | Low | 117 Ų | 117 | 103.9 Ų | 103.9 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | trans | -72.4 | 51.1 | 151.9 | -166.9 | 0 | 0 | 0 | 0 | 108.1 | L31 | L31-V33 PolarHBondContact O-N 3.35Š| ||
| 34 | S | 61.5 | Low | 71 | Confident | 32 Ų | 32 | 99.3 Ų | 99.3 | 22% | 0.224 | 57% | 0.573 | C | S | . | * | trans | -96.7 | 150.1 | -162 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | L32 V36 L37 V38 | L32-S34 PolarHBondContact O-N 3.25Å; S34-V36 CarbonylContact O-C 3.59Å; S34-V36 PolarHBondContact O-N 3.49Å; S34-L37 PolarHBondContact O-N 3.38Å; S34-V38 PolarHBondContact O-N 3.29Å | ||
| 35 | P | 80.6 | Confident | 73.6 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -42.3 | -24.7 | 171.7 | -32.4 | 35.7 | 0 | 0 | 0 | 114.9 | V38 A39 | P35-V38 PolarHBondContact O-N 3.15Å; P35-A39 WeakPolarHBondContact O-CB 3.01Å; P35-A39 PolarHBondContact O-N 3.46Å |
| 36 | V | 86.4 | Confident | 75.9 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.7 | -43.9 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | S34 A39 S40 | S34-V36 CarbonylContact O-C 3.59Å; S34-V36 PolarHBondContact O-N 3.49Å; V36-A39 PolarHBondContact O-N 3.48Å; V36-S40 WeakPolarHBondContact O-CB 3.44Å; V36-S40 PolarHBondContact O-N 3.2Å; V36-S40 PolarHBondContact O-OG 3.37Å |
| 37 | L | 86.2 | Confident | 78 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 175.5 | -69.9 | -169.1 | 0 | 0 | 0 | 111.7 | L32 S34 S40 A41 | L32-L37 WeakPolarHBondContact O-CD1 2.93Å; L32-L37 WeakPolarHBondContact O-CG 2.73Å; S34-L37 PolarHBondContact O-N 3.38Å; L37-S40 WeakPolarHBondContact CA-OG 3.48Å; L37-S40 PolarHBondContact O-OG 3.17Å; L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 2.98Å |
| 38 | V | 90.7 | Very high | 80.3 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 110 | S34 P35 A41 V42 | S34-V38 PolarHBondContact O-N 3.29Å; P35-V38 PolarHBondContact O-N 3.15Å; V38-A41 PolarHBondContact O-N 3.45Å; V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.44Å; V38-V42 PolarHBondContact O-N 3.46Å |
| 39 | A | 92.4 | Very high | 82.6 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P35 V36 A41 V42 I43 | P35-A39 WeakPolarHBondContact O-CB 3.01Å; P35-A39 PolarHBondContact O-N 3.46Å; V36-A39 PolarHBondContact O-N 3.48Å; A39-A41 PolarHBondContact O-N 3.11Å; A39-V42 PolarHBondContact O-N 3.07Å; A39-I43 WeakPolarHBondContact O-CB 3.35Å; A39-I43 WeakPolarHBondContact O-CD1 3.41Å; A39-I43 WeakPolarHBondContact O-CG1 3.27Å; A39-I43 PolarHBondContact O-N 3.48Å |
| 40 | S | 91.9 | Very high | 84.7 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 179 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | V36 L37 G44 | V36-S40 WeakPolarHBondContact O-CB 3.44Å; V36-S40 PolarHBondContact O-N 3.2Å; V36-S40 PolarHBondContact O-OG 3.37Å; L37-S40 WeakPolarHBondContact CA-OG 3.48Å; L37-S40 PolarHBondContact O-OG 3.17Å; S40-G44 PolarHBondContact O-N 3.41Å |
| 41 | A | 93.4 | Very high | 86.7 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L37 V38 A39 G44 V45 | L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 2.98Å; V38-A41 PolarHBondContact O-N 3.45Å; A39-A41 PolarHBondContact O-N 3.11Å; A41-G44 PolarHBondContact O-N 3.21Å; A41-V45 VanDerWaalsContact O-CG2 3.29Å; A41-V45 WeakPolarHBondContact O-CG2 3.44Å; A41-V45 PolarHBondContact O-N 3.14Å |
| 42 | V | 96.8 | Very high | 88.7 | Confident | 86 Ų | 86 | 81.2 Ų | 81.2 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V38 A39 G44 V45 V46 | V38-V42 HydrophobicContact CG1-CG2 4.45Å; V38-V42 WeakPolarHBondContact O-CB 3.34Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.44Å; V38-V42 PolarHBondContact O-N 3.46Å; A39-V42 PolarHBondContact O-N 3.07Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 3.23Å; V42-V45 PolarHBondContact O-N 3.37Å; V42-V46 HydrophobicContact CG1-CG2 4.47Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.45Å |
| 43 | I | 96.3 | Very high | 90.6 | Very high | 103 Ų | 103 | 80.9 Ų | 80.9 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 176 | -66.9 | 162.7 | 0 | 0 | 0 | 110.1 | A39 V45 V46 I47 | A39-I43 WeakPolarHBondContact O-CB 3.35Å; A39-I43 WeakPolarHBondContact O-CD1 3.41Å; A39-I43 WeakPolarHBondContact O-CG1 3.27Å; A39-I43 PolarHBondContact O-N 3.48Å; I43-V45 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3.07Å; I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.46Å; I43-I47 PolarHBondContact O-N 3.45Å |
| 44 | G | 97.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 79.9 Ų | 79.9 | 27% | 0.268 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S40 A41 V42 V46 I47 I48 | S40-G44 PolarHBondContact O-N 3.41Å; A41-G44 PolarHBondContact O-N 3.21Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 3.23Å; G44-V46 PolarHBondContact O-N 3.43Å; G44-I47 PolarHBondContact O-N 3.43Å; G44-I48 WeakPolarHBondContact O-CB 3.37Å; G44-I48 WeakPolarHBondContact O-CD1 3.2Å; G44-I48 WeakPolarHBondContact O-CG1 3.21Å; G44-I48 PolarHBondContact O-N 3.39Å |
| 45 | V | 97.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A41 V42 I43 I47 I48 L49 | A41-V45 VanDerWaalsContact O-CG2 3.29Å; A41-V45 WeakPolarHBondContact O-CG2 3.44Å; A41-V45 PolarHBondContact O-N 3.14Å; V42-V45 PolarHBondContact O-N 3.37Å; I43-V45 PolarHBondContact O-N 3.44Å; V45-I47 PolarHBondContact O-N 3.43Å; V45-I48 PolarHBondContact O-N 3.4Å; V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.25Å; V45-L49 PolarHBondContact O-N 2.81Å |
| 46 | V | 97.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | V42 I43 G44 L49 S50 | V42-V46 HydrophobicContact CG1-CG2 4.47Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.45Å; I43-V46 PolarHBondContact O-N 3.07Å; G44-V46 PolarHBondContact O-N 3.43Å; V46-L49 PolarHBondContact O-N 3.32Å; V46-S50 VanDerWaalsContact O-CB 3.28Å; V46-S50 WeakPolarHBondContact O-CB 3.4Å; V46-S50 PolarHBondContact O-N 3.17Å |
| 47 | I | 97.5 | Very high | 94.5 | Very high | 96 Ų | 96 | 77.6 Ų | 77.6 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.9 | -67 | 169.1 | 0 | 0 | 0 | 110.4 | I43 G44 V45 L49 S50 C51 | I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.46Å; I43-I47 VanDerWaalsContact O-CG1 3.29Å; I43-I47 WeakPolarHBondContact O-CG1 3.46Å; I43-I47 PolarHBondContact O-N 3.45Å; G44-I47 PolarHBondContact O-N 3.43Å; V45-I47 PolarHBondContact O-N 3.43Å; I47-L49 PolarHBondContact O-N 3.3Å; I47-S50 WeakPolarHBondContact O-CB 3.39Å; I47-S50 PolarHBondContact O-N 3.47Å; I47-C51 WeakPolarHBondContact O-CB 3.28Å; I47-C51 PolarHBondContact O-N 2.68Å; I47-C51 PolarHBondContact O-SG 3.45Å |
| 48 | I | 97.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 179.6 | -68.8 | 163.7 | 0 | 0 | 0 | 111 | G44 V45 C51 I52 | G44-I48 WeakPolarHBondContact O-CB 3.37Å; G44-I48 WeakPolarHBondContact O-CD1 3.2Å; G44-I48 WeakPolarHBondContact O-CG1 3.21Å; G44-I48 PolarHBondContact O-N 3.39Å; V45-I48 PolarHBondContact O-N 3.4Å; I48-C51 PolarHBondContact O-N 3.24Å; I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.46Å; I48-I52 VanDerWaalsContact O-CG1 3.27Å; I48-I52 WeakPolarHBondContact O-CG1 3.39Å; I48-I52 PolarHBondContact O-N 3.36Å |
| 49 | L | 96.6 | Very high | 94 | Very high | 100 Ų | 100 | 74.4 Ų | 74.4 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.7 | -69.8 | 174.8 | 0 | 0 | 0 | 112 | V45 V46 I47 I52 T53 | V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.25Å; V45-L49 PolarHBondContact O-N 2.81Å; V46-L49 PolarHBondContact O-N 3.32Å; I47-L49 PolarHBondContact O-N 3.3Å; L49-I52 PolarHBondContact O-N 3.17Å; L49-T53 WeakPolarHBondContact O-CB 3.19Å; L49-T53 VanDerWaalsContact O-CG2 3.27Å; L49-T53 WeakPolarHBondContact O-CG2 3.47Å; L49-T53 PolarHBondContact O-N 3.42Å; L49-T53 PolarHBondContact O-OG1 3.42Å |
| 50 | S | 97.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 80.2 Ų | 80.2 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 172.9 | -175.9 | 0 | 0 | 0 | 0 | 111 | V46 I47 I52 T53 I54 | V46-S50 VanDerWaalsContact O-CB 3.28Å; V46-S50 WeakPolarHBondContact O-CB 3.4Å; V46-S50 PolarHBondContact O-N 3.17Å; I47-S50 WeakPolarHBondContact O-CB 3.39Å; I47-S50 PolarHBondContact O-N 3.47Å; S50-I52 PolarHBondContact O-N 3.47Å; S50-T53 WeakPolarHBondContact CA-OG1 3.22Å; S50-T53 PolarHBondContact O-N 3.46Å; S50-T53 PolarHBondContact O-OG1 3.48Å; S50-I54 WeakPolarHBondContact O-CB 3.41Å; S50-I54 WeakPolarHBondContact O-CG1 3.46Å; S50-I54 PolarHBondContact O-N 3.49Å |
| 51 | C | 95.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 84.9 Ų | 84.9 | 41% | 0.405 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.6 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | I47 I48 T53 I54 I55 | I47-C51 WeakPolarHBondContact O-CB 3.28Å; I47-C51 PolarHBondContact O-N 2.68Å; I47-C51 PolarHBondContact O-SG 3.45Å; I48-C51 PolarHBondContact O-N 3.24Å; C51-T53 PolarHBondContact O-N 3.13Å; C51-I54 PolarHBondContact O-N 3.31Å; C51-I55 WeakPolarHBondContact O-CB 3.23Å; C51-I55 WeakPolarHBondContact O-CD1 3.28Å; C51-I55 WeakPolarHBondContact O-CG1 3.29Å; C51-I55 PolarHBondContact O-N 3.24Å |
| 52 | I | 96.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 85.2 Ų | 85.2 | 45% | 0.446 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.8 | -67.5 | 165.8 | 0 | 0 | 0 | 110.5 | I48 L49 S50 I54 I55 V56 | I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.46Å; I48-I52 VanDerWaalsContact O-CG1 3.27Å; I48-I52 WeakPolarHBondContact O-CG1 3.39Å; I48-I52 PolarHBondContact O-N 3.36Å; L49-I52 PolarHBondContact O-N 3.17Å; S50-I52 PolarHBondContact O-N 3.47Å; I52-I54 PolarHBondContact O-N 3.26Å; I52-I55 PolarHBondContact O-N 3.48Å; I52-V56 HydrophobicContact CG2-CG2 4.02Å; I52-V56 VanDerWaalsContact O-CB 3.26Å; I52-V56 WeakPolarHBondContact O-CB 3.43Å; I52-V56 WeakPolarHBondContact O-CG2 3.16Å; I52-V56 PolarHBondContact O-N 3.25Å |
| 53 | T | 93.7 | Very high | 91 | Very high | 92 Ų | 92 | 89.1 Ų | 89.1 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.3 | -36.1 | 180 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | L49 S50 C51 G57 | L49-T53 WeakPolarHBondContact O-CB 3.19Å; L49-T53 VanDerWaalsContact O-CG2 3.27Å; L49-T53 WeakPolarHBondContact O-CG2 3.47Å; L49-T53 PolarHBondContact O-N 3.42Å; L49-T53 PolarHBondContact O-OG1 3.42Å; S50-T53 WeakPolarHBondContact CA-OG1 3.22Å; S50-T53 PolarHBondContact O-N 3.46Å; S50-T53 PolarHBondContact O-OG1 3.48Å; C51-T53 PolarHBondContact O-N 3.13Å; T53-G57 VanDerWaalsContact O-CA 3.28Å; T53-G57 WeakPolarHBondContact O-CA 3.26Å; T53-G57 PolarHBondContact O-N 2.94Å |
| 54 | I | 93.8 | Very high | 89.9 | Confident | 95 Ų | 95 | 89.4 Ų | 89.4 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 173.8 | -67.7 | 166.6 | 0 | 0 | 0 | 110.5 | S50 C51 I52 S58 | S50-I54 WeakPolarHBondContact O-CB 3.41Å; S50-I54 WeakPolarHBondContact O-CG1 3.46Å; S50-I54 PolarHBondContact O-N 3.49Å; C51-I54 PolarHBondContact O-N 3.31Å; I52-I54 PolarHBondContact O-N 3.26Å; I54-S58 WeakPolarHBondContact O-CB 3.27Å; I54-S58 PolarHBondContact O-N 2.98Å; I54-S58 PolarHBondContact O-OG 3.4Å |
| 55 | I | 93.6 | Very high | 88.7 | Confident | 96 Ų | 96 | 89.8 Ų | 89.8 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -49.5 | 179 | -67.2 | 163.4 | 0 | 0 | 0 | 110.6 | C51 I52 G57 S58 I59 | C51-I55 WeakPolarHBondContact O-CB 3.23Å; C51-I55 WeakPolarHBondContact O-CD1 3.28Å; C51-I55 WeakPolarHBondContact O-CG1 3.29Å; C51-I55 PolarHBondContact O-N 3.24Å; I52-I55 PolarHBondContact O-N 3.48Å; I55-G57 VanDerWaalsContact C-N 3.34Å; I55-G57 PolarHBondContact O-N 2.97Å; I55-S58 PolarHBondContact O-N 3.19Å; I55-S58 PolarHBondContact O-OG 2.96Å; I55-I59 HydrophobicContact CG2-CD1 3.92Å; I55-I59 WeakPolarHBondContact O-CD1 3.39Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.19Å |
| 56 | V | 93.7 | Very high | 87.4 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | I52 I59 R60 | I52-V56 HydrophobicContact CG2-CG2 4.02Å; I52-V56 VanDerWaalsContact O-CB 3.26Å; I52-V56 WeakPolarHBondContact O-CB 3.43Å; I52-V56 WeakPolarHBondContact O-CG2 3.16Å; I52-V56 PolarHBondContact O-N 3.25Å; V56-I59 PolarHBondContact O-N 2.96Å; V56-R60 WeakPolarHBondContact O-CG 3.21Å; V56-R60 PolarHBondContact O-N 3.13Å |
| 57 | G | 88.5 | Confident | 86 | Confident | 23 Ų | 23 | 93.2 Ų | 93.2 | 24% | 0.237 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | T53 I55 R61 | T53-G57 VanDerWaalsContact O-CA 3.28Å; T53-G57 WeakPolarHBondContact O-CA 3.26Å; T53-G57 PolarHBondContact O-N 2.94Å; I55-G57 VanDerWaalsContact C-N 3.34Å; I55-G57 PolarHBondContact O-N 2.97Å; G57-R61 VanDerWaalsContact O-CB 3.29Å; G57-R61 WeakPolarHBondContact O-CB 3.19Å; G57-R61 VanDerWaalsContact O-CG 3.23Å; G57-R61 WeakPolarHBondContact O-CG 3.46Å; G57-R61 PolarHBondContact O-N 3.35Å; G57-R61 PolarHBondContact O-NE 2.9Å |
| 58 | S | 84.2 | Confident | 84.6 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.2 | -37 | 174.5 | 73.8 | 0 | 0 | 0 | 0 | 111 | I54 I55 R61 D62 | I54-S58 WeakPolarHBondContact O-CB 3.27Å; I54-S58 PolarHBondContact O-N 2.98Å; I54-S58 PolarHBondContact O-OG 3.4Å; I55-S58 PolarHBondContact O-N 3.19Å; I55-S58 PolarHBondContact O-OG 2.96Å; S58-R61 PolarHBondContact O-N 3.34Å; S58-D62 WeakPolarHBondContact O-CB 3.42Å; S58-D62 PolarHBondContact O-N 3.13Å |
| 59 | I | 82.3 | Confident | 82.9 | Confident | 75 Ų | 75 | 96.9 Ų | 96.9 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 174.5 | -65.2 | 161 | 0 | 0 | 0 | 111 | I55 V56 D62 R63 | I55-I59 HydrophobicContact CG2-CD1 3.92Å; I55-I59 WeakPolarHBondContact O-CD1 3.39Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.19Å; V56-I59 PolarHBondContact O-N 2.96Å; I59-D62 PolarHBondContact O-N 3.18Å; I59-R63 HydrophobicContact CG2-CG 4.38Å; I59-R63 WeakPolarHBondContact O-CB 3.42Å; I59-R63 WeakPolarHBondContact O-CG 3.27Å; I59-R63 PolarHBondContact O-N 2.92Å |
| 60 | R | 78.4 | Confident | 81.3 | Confident | 169 Ų | 169 | 96.8 Ų | 96.8 | 64% | 0.638 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 176.3 | -68.1 | -174.6 | 86.7 | -134 | 5.8 | 111.3 | V56 Q64 | V56-R60 WeakPolarHBondContact O-CG 3.21Å; V56-R60 PolarHBondContact O-N 3.13Å; R60-Q64 WeakPolarHBondContact O-CB 3.27Å; R60-Q64 VanDerWaalsContact O-CG 3.28Å; R60-Q64 WeakPolarHBondContact O-CG 3.13Å; R60-Q64 PolarHBondContact O-N 3.01Å |
| 61 | R | 78.9 | Confident | 79.5 | Confident | 161 Ų | 161 | 102.4 Ų | 102.4 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 175.4 | -74.4 | -174.6 | -70.5 | 176.7 | -1.6 | 112.7 | G57 S58 Q64 A65 | G57-R61 VanDerWaalsContact O-CB 3.29Å; G57-R61 WeakPolarHBondContact O-CB 3.19Å; G57-R61 VanDerWaalsContact O-CG 3.23Å; G57-R61 WeakPolarHBondContact O-CG 3.46Å; G57-R61 PolarHBondContact O-N 3.35Å; G57-R61 PolarHBondContact O-NE 2.9Å; S58-R61 PolarHBondContact O-N 3.34Å; R61-Q64 PolarHBondContact O-N 3.47Å; R61-A65 WeakPolarHBondContact O-CB 3.28Å; R61-A65 PolarHBondContact O-N 2.91Å |
| 62 | D | 79.9 | Confident | 77.7 | Confident | 64 Ų | 64 | 105.1 Ų | 105.1 | 34% | 0.342 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 177.8 | -173.3 | 44.4 | 0 | 0 | 0 | 111 | S58 I59 Q64 A65 R66 | S58-D62 WeakPolarHBondContact O-CB 3.42Å; S58-D62 PolarHBondContact O-N 3.13Å; I59-D62 PolarHBondContact O-N 3.18Å; D62-Q64 VanDerWaalsContact C-N 3.34Å; D62-Q64 PolarHBondContact O-N 3Å; D62-A65 PolarHBondContact O-N 3.29Å; D62-R66 WeakPolarHBondContact O-CB 3.44Å; D62-R66 VanDerWaalsContact O-CG 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.29Å; D62-R66 PolarHBondContact O-N 3.09Å; D62-R66 IonicContact OD1-NE 2.89Å; D62-R66 PolarHBondContact OD1-NE 2.94Å; D62-R66 IonicContact OD1-NH2 3.28Å; D62-R66 IonicContact OD2-CZ 2.8Å; D62-R66 VanDerWaalsContact OD2-CZ 3.28Å; D62-R66 IonicContact OD2-NE 3.46Å; D62-R66 PolarHBondContact OD2-NE 2.99Å; D62-R66 IonicContact OD2-NH2 3.96Å; D62-R66 PolarHBondContact OD2-NH2 3.12Å |
| 63 | R | 74.6 | Confident | 75.8 | Confident | 167 Ų | 167 | 108.5 Ų | 108.5 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 171.6 | -72.8 | 176.6 | -175 | -159.5 | 3.6 | 111.7 | I59 R66 L67 | I59-R63 HydrophobicContact CG2-CG 4.38Å; I59-R63 WeakPolarHBondContact O-CB 3.42Å; I59-R63 WeakPolarHBondContact O-CG 3.27Å; I59-R63 PolarHBondContact O-N 2.92Å; R63-R66 PolarHBondContact O-N 2.83Å; R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 2.98Å |
| 64 | Q | 72.7 | Confident | 74.1 | Confident | 110 Ų | 110 | 109.3 Ų | 109.3 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.1 | -75.5 | 174.6 | -25.4 | 0 | 0 | 112.1 | R60 R61 D62 R66 L67 Q68 | R60-Q64 WeakPolarHBondContact O-CB 3.27Å; R60-Q64 VanDerWaalsContact O-CG 3.28Å; R60-Q64 WeakPolarHBondContact O-CG 3.13Å; R60-Q64 PolarHBondContact O-N 3.01Å; R61-Q64 PolarHBondContact O-N 3.47Å; D62-Q64 VanDerWaalsContact C-N 3.34Å; D62-Q64 PolarHBondContact O-N 3Å; Q64-R66 PolarHBondContact O-N 3.49Å; Q64-L67 PolarHBondContact O-N 2.87Å; Q64-Q68 WeakPolarHBondContact O-CB 3.37Å; Q64-Q68 WeakPolarHBondContact O-CG 3.34Å; Q64-Q68 PolarHBondContact O-N 3.32Å |
| 65 | A | 71.9 | Confident | 72.2 | Confident | 33 Ų | 33 | 113.7 Ų | 113.7 | 27% | 0.273 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R61 D62 Q68 R69 | R61-A65 WeakPolarHBondContact O-CB 3.28Å; R61-A65 PolarHBondContact O-N 2.91Å; D62-A65 PolarHBondContact O-N 3.29Å; A65-Q68 PolarHBondContact O-N 3.34Å; A65-R69 WeakPolarHBondContact O-CB 3.09Å; A65-R69 WeakPolarHBondContact O-CG 3.27Å; A65-R69 PolarHBondContact O-N 3.16Å |
| 66 | R | 71.3 | Confident | 70.4 | Confident | 142 Ų | 142 | 118 Ų | 118 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.2 | -71.5 | 176.9 | -165.7 | -121.3 | 5 | 111.7 | D62 R63 Q64 Q68 R69 H70 | D62-R66 WeakPolarHBondContact O-CB 3.44Å; D62-R66 VanDerWaalsContact O-CG 3.25Å; D62-R66 WeakPolarHBondContact O-CG 3.29Å; D62-R66 PolarHBondContact O-N 3.09Å; D62-R66 IonicContact OD1-NE 2.89Å; D62-R66 PolarHBondContact OD1-NE 2.94Å; D62-R66 IonicContact OD1-NH2 3.28Å; D62-R66 IonicContact OD2-CZ 2.8Å; D62-R66 VanDerWaalsContact OD2-CZ 3.28Å; D62-R66 IonicContact OD2-NE 3.46Å; D62-R66 PolarHBondContact OD2-NE 2.99Å; D62-R66 IonicContact OD2-NH2 3.96Å; D62-R66 PolarHBondContact OD2-NH2 3.12Å; R63-R66 PolarHBondContact O-N 2.83Å; Q64-R66 PolarHBondContact O-N 3.49Å; R66-Q68 PolarHBondContact O-N 3.42Å; R66-R69 PolarHBondContact O-N 2.72Å; R66-H70 PolarHBondContact O-CD2 3.19Å; R66-H70 PolarHBondContact O-N 3.3Å |
| 67 | L | 68.4 | Low | 68.6 | Low | 100 Ų | 100 | 120 Ų | 120 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.3 | -74.4 | 166.4 | 0 | 0 | 0 | 112.5 | R63 Q64 H70 R71 | R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.47Å; R63-L67 PolarHBondContact O-N 2.98Å; Q64-L67 PolarHBondContact O-N 2.87Å; L67-H70 PolarHBondContact O-N 3.42Å; L67-R71 WeakPolarHBondContact O-CG 3.47Å; L67-R71 PolarHBondContact O-N 3.19Å |
| 68 | Q | 67.5 | Low | 67 | Low | 116 Ų | 116 | 125.1 Ų | 125.1 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 172.6 | -74.7 | -177.7 | 1.4 | 0 | 0 | 110.9 | Q64 A65 R66 H70 R71 H72 | Q64-Q68 WeakPolarHBondContact O-CB 3.37Å; Q64-Q68 WeakPolarHBondContact O-CG 3.34Å; Q64-Q68 PolarHBondContact O-N 3.32Å; A65-Q68 PolarHBondContact O-N 3.34Å; R66-Q68 PolarHBondContact O-N 3.42Å; Q68-H70 VanDerWaalsContact C-N 3.3Å; Q68-H70 PolarHBondContact O-N 2.86Å; Q68-R71 PolarHBondContact O-N 3.5Å; Q68-H72 PolarHBondContact O-CD2 3.13Å; Q68-H72 PolarHBondContact O-N 2.94Å |
| 69 | R | 62.1 | Low | 65.7 | Low | 160 Ų | 160 | 129 Ų | 129 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.5 | -41.1 | 175.4 | -73.6 | 171.8 | -175.7 | 175.9 | 2.4 | 112.1 | A65 R66 H72 R73 | A65-R69 WeakPolarHBondContact O-CB 3.09Å; A65-R69 WeakPolarHBondContact O-CG 3.27Å; A65-R69 PolarHBondContact O-N 3.16Å; R66-R69 PolarHBondContact O-N 2.72Å; R69-H72 PolarHBondContact O-N 3.49Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.82Å |
| 70 | H | 61.4 | Low | 64.5 | Low | 98 Ų | 98 | 130.9 Ų | 130.9 | 45% | 0.454 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -48.8 | 175 | -84.5 | -72.4 | 0 | 0 | 0 | 111.8 | R66 L67 Q68 H72 R73 H74 | R66-H70 PolarHBondContact O-CD2 3.19Å; R66-H70 PolarHBondContact O-N 3.3Å; L67-H70 PolarHBondContact O-N 3.42Å; Q68-H70 VanDerWaalsContact C-N 3.3Å; Q68-H70 PolarHBondContact O-N 2.86Å; H70-H72 VanDerWaalsContact C-N 3.32Å; H70-H72 PolarHBondContact O-N 2.99Å; H70-R73 PolarHBondContact O-N 3.32Å; H70-H74 AromaticContact ND1-NE2 3.98Å; H70-H74 PolarHBondContact O-CD2 3.33Å; H70-H74 PolarHBondContact O-N 3.49Å |
| 71 | R | 59.9 | Low | 63.5 | Low | 175 Ų | 175 | 129.3 Ų | 129.3 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -38.7 | 177.2 | -73.5 | 179.3 | 179.2 | 149.6 | -0.2 | 112.9 | L67 Q68 R75 | L67-R71 WeakPolarHBondContact O-CG 3.47Å; L67-R71 PolarHBondContact O-N 3.19Å; Q68-R71 PolarHBondContact O-N 3.5Å; R71-R75 PolarHBondContact O-N 2.99Å |
| 72 | H | 57.3 | Low | 62.4 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 55% | 0.546 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.9 | -37.1 | 176.4 | -70.2 | -60.8 | 0 | 0 | 0 | 112.9 | Q68 R69 H70 R76 | Q68-H72 PolarHBondContact O-CD2 3.13Å; Q68-H72 PolarHBondContact O-N 2.94Å; R69-H72 PolarHBondContact O-N 3.49Å; H70-H72 VanDerWaalsContact C-N 3.32Å; H70-H72 PolarHBondContact O-N 2.99Å; H72-R76 PolarHBondContact O-N 2.99Å |
| 73 | R | 58.1 | Low | 61.2 | Low | 158 Ų | 158 | 131.7 Ų | 131.7 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -44.7 | 174.5 | -75 | 179.8 | 179.9 | 168.5 | -1.5 | 111.9 | R69 H70 R75 R76 H77 | R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.82Å; H70-R73 PolarHBondContact O-N 3.32Å; R73-R75 VanDerWaalsContact C-N 3.35Å; R73-R75 PolarHBondContact O-N 3.14Å; R73-R76 PolarHBondContact O-N 2.78Å; R73-H77 PolarHBondContact O-CD2 3.31Å; R73-H77 PolarHBondContact O-N 2.95Å; R73-H77 VanDerWaalsContact O-N 3.13Å |
| 74 | H | 56.7 | Low | 60.4 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | -179.9 | -66.4 | -58.8 | 0 | 0 | 0 | 112.8 | H70 R76 H77 H78 | H70-H74 AromaticContact ND1-NE2 3.98Å; H70-H74 PolarHBondContact O-CD2 3.33Å; H70-H74 PolarHBondContact O-N 3.49Å; H74-R76 PolarHBondContact O-N 3.46Å; H74-H77 PolarHBondContact O-N 3.48Å; H74-H78 PolarHBondContact O-CD2 2.84Å; H74-H78 PolarHBondContact O-N 2.89Å |
| 75 | R | 55.5 | Low | 59.6 | Low | 187 Ų | 187 | 134.2 Ų | 134.2 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.5 | -38.3 | 174.1 | -76.5 | -174.1 | 177 | 179.8 | -0.9 | 112.9 | R71 R73 H79 | R71-R75 PolarHBondContact O-N 2.99Å; R73-R75 VanDerWaalsContact C-N 3.35Å; R73-R75 PolarHBondContact O-N 3.14Å; R75-H79 PolarHBondContact O-CD2 2.75Å |
| 76 | R | 54.5 | Low | 58.8 | Low | 187 Ų | 187 | 142.5 Ų | 142.5 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.1 | -36.8 | 179.3 | -73.2 | -176.7 | 178.9 | -176.6 | -0.3 | 113 | H72 R73 H74 H78 H79 H80 | H72-R76 PolarHBondContact O-N 2.99Å; R73-R76 PolarHBondContact O-N 2.78Å; H74-R76 PolarHBondContact O-N 3.46Å; R76-H78 PolarHBondContact O-N 3.34Å; R76-H79 PolarHBondContact O-N 2.95Å; R76-H80 PolarHBondContact O-CD2 3.2Å; R76-H80 VanDerWaalsContact O-CD2 3.25Å |
| 77 | H | 55.4 | Low | 58 | Low | 118 Ų | 118 | 144.1 Ų | 144.1 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.8 | -33.2 | -179.1 | -73.8 | -62.9 | 0 | 0 | 0 | 113.7 | R73 H74 H81 | R73-H77 PolarHBondContact O-CD2 3.31Å; R73-H77 PolarHBondContact O-N 2.95Å; R73-H77 VanDerWaalsContact O-N 3.13Å; H74-H77 PolarHBondContact O-N 3.48Å; H77-H81 PolarHBondContact O-CD2 2.87Å; H77-H81 VanDerWaalsContact O-CD2 3.31Å |
| 78 | H | 56.2 | Low | 57.3 | Low | 129 Ų | 129 | 148.6 Ų | 148.6 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.6 | -31.2 | 178.7 | -74.3 | -62.4 | 0 | 0 | 0 | 113.7 | H74 R76 H82 | H74-H78 PolarHBondContact O-CD2 2.84Å; H74-H78 PolarHBondContact O-N 2.89Å; R76-H78 PolarHBondContact O-N 3.34Å; H78-H82 PolarHBondContact O-CD2 2.72Å |
| 79 | H | 55.9 | Low | 56.6 | Low | 133 Ų | 133 | 149.4 Ų | 149.4 | 62% | 0.616 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.2 | -31.9 | 179.4 | -73 | -61 | 0 | 0 | 0 | 113.5 | R75 R76 H81 H83 | R75-H79 PolarHBondContact O-CD2 2.75Å; R76-H79 PolarHBondContact O-N 2.95Å; H79-H81 PolarHBondContact O-N 3.4Å; H79-H83 PolarHBondContact O-CD2 3.46Å |
| 80 | H | 56.8 | Low | 56.2 | Low | 116 Ų | 116 | 150.3 Ų | 150.3 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.9 | -32.8 | -179.2 | -75.8 | -63.5 | 0 | 0 | 0 | 113.6 | R76 H82 H83 H84 | R76-H80 PolarHBondContact O-CD2 3.2Å; R76-H80 VanDerWaalsContact O-CD2 3.25Å; H80-H82 PolarHBondContact O-N 3.33Å; H80-H83 PolarHBondContact O-N 3.46Å; H80-H84 PolarHBondContact O-CD2 2.77Å; H80-H84 PolarHBondContact O-N 3.47Å |
| 81 | H | 58 | Low | 55.8 | Low | 136 Ų | 136 | 151.4 Ų | 151.4 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.4 | -31.7 | -179 | -75.7 | -65.1 | 0 | 0 | 0 | 113.6 | H77 H79 R85 | H77-H81 PolarHBondContact O-CD2 2.87Å; H77-H81 VanDerWaalsContact O-CD2 3.31Å; H79-H81 PolarHBondContact O-N 3.4Å; H81-R85 PolarHBondContact O-N 2.95Å |
| 82 | H | 55.8 | Low | 55.4 | Low | 138 Ų | 138 | 150.9 Ų | 150.9 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.7 | -34.3 | 178.4 | -72.4 | -68.6 | 0 | 0 | 0 | 113 | H78 H80 R86 | H78-H82 PolarHBondContact O-CD2 2.72Å; H80-H82 PolarHBondContact O-N 3.33Å; H82-R86 PolarHBondContact O-N 3.34Å |
| 83 | H | 56 | Low | 55.1 | Low | 136 Ų | 136 | 151.3 Ų | 151.3 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.5 | -39.5 | 177.1 | -79.7 | -72.5 | 0 | 0 | 0 | 112.6 | H79 H80 R85 R86 R87 | H79-H83 PolarHBondContact O-CD2 3.46Å; H80-H83 PolarHBondContact O-N 3.46Å; H83-R85 PolarHBondContact O-N 2.93Å; H83-R86 PolarHBondContact O-N 2.89Å; H83-R87 PolarHBondContact O-N 2.8Å; H83-R87 VanDerWaalsContact O-N 3.07Å |
| 84 | H | 56.4 | Low | 54.7 | Low | 118 Ų | 118 | 149.3 Ų | 149.3 | 55% | 0.546 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.4 | -34.8 | 178.7 | -71.1 | -59 | 0 | 0 | 0 | 113.1 | H80 R87 R88 | H80-H84 PolarHBondContact O-CD2 2.77Å; H80-H84 PolarHBondContact O-N 3.47Å; H84-R87 PolarHBondContact O-N 2.97Å; H84-R88 PolarHBondContact O-N 3.37Å |
| 85 | R | 56.1 | Low | 54.3 | Low | 213 Ų | 213 | 147 Ų | 147 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71 | -36.6 | 177.8 | -155.8 | 179 | -175.5 | -168.3 | 0.8 | 112.3 | H81 H83 H89 | H81-R85 PolarHBondContact O-N 2.95Å; H83-R85 PolarHBondContact O-N 2.93Å; R85-H89 PolarHBondContact O-N 3.43Å |
| 86 | R | 55.4 | Low | 54 | Low | 207 Ų | 207 | 144.8 Ų | 144.8 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.3 | -35.1 | 173.5 | -81.5 | -172.2 | 174.9 | -169.7 | -0.9 | 112.8 | H82 H83 H89 R90 | H82-R86 PolarHBondContact O-N 3.34Å; H83-R86 PolarHBondContact O-N 2.89Å; R86-H89 PolarHBondContact O-N 2.94Å; R86-R90 PolarHBondContact O-N 2.88Å |
| 87 | R | 53.6 | Low | 54 | Low | 175 Ų | 175 | 141.8 Ų | 141.8 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.1 | -42 | 179 | -150 | -178.2 | -168 | -166.3 | 3.8 | 112.2 | H83 H84 H89 R90 E91 | H83-R87 PolarHBondContact O-N 2.8Å; H83-R87 VanDerWaalsContact O-N 3.07Å; H84-R87 PolarHBondContact O-N 2.97Å; R87-H89 VanDerWaalsContact C-N 3.35Å; R87-H89 PolarHBondContact O-N 3.47Å; R87-R90 PolarHBondContact O-N 2.78Å; R87-E91 PolarHBondContact O-N 3.49Å; R87-E91 VanDerWaalsContact O-N 3.11Å |
| 88 | R | 53.7 | Low | 54 | Low | 194 Ų | 194 | 142.6 Ų | 142.6 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.3 | -32.4 | 177.3 | -70.5 | -164.7 | -169.8 | -154.3 | 3.8 | 114 | H84 Y92 | H84-R88 PolarHBondContact O-N 3.37Å; R88-Y92 PolarHBondContact O-N 3.36Å |
| 89 | H | 53.2 | Low | 53.8 | Low | 134 Ų | 134 | 145.1 Ų | 145.1 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.4 | -33 | 175.3 | -169.3 | -74.1 | 0 | 0 | 0 | 112.1 | R85 R86 R87 E93 | R85-H89 PolarHBondContact O-N 3.43Å; R86-H89 PolarHBondContact O-N 2.94Å; R87-H89 VanDerWaalsContact C-N 3.35Å; R87-H89 PolarHBondContact O-N 3.47Å; H89-E93 PolarHBondContact O-N 2.89Å |
| 90 | R | 53.6 | Low | 53.7 | Low | 179 Ų | 179 | 140.4 Ų | 140.4 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | 176.4 | -168.2 | 172.6 | -176.4 | 162.2 | 1.9 | 112.6 | R86 R87 H94 | R86-R90 PolarHBondContact O-N 2.88Å; R87-R90 PolarHBondContact O-N 2.78Å; R90-H94 PolarHBondContact O-CD2 2.86Å; R90-H94 PolarHBondContact O-N 3.24Å |
| 91 | E | 52.8 | Low | 53.2 | Low | 120 Ų | 120 | 143.3 Ų | 143.3 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.7 | -29.4 | 176.1 | -78.8 | 165.1 | -175.3 | 0 | 0 | 112.7 | R87 G95 | R87-E91 PolarHBondContact O-N 3.49Å; R87-E91 VanDerWaalsContact O-N 3.11Å; E91-G95 PolarHBondContact O-N 3Å |
| 92 | Y | 53 | Low | 53.1 | Low | 165 Ų | 165 | 143 Ų | 143 | 65% | 0.647 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.6 | -43.8 | 174.8 | -162.9 | -123.1 | 0 | 0 | 0 | 111.5 | R88 H94 G95 Y96 | R88-Y92 PolarHBondContact O-N 3.36Å; Y92-H94 VanDerWaalsContact C-N 3.31Å; Y92-H94 PolarHBondContact O-N 2.87Å; Y92-G95 PolarHBondContact O-N 3.35Å; Y92-G95 VanDerWaalsContact O-N 3.15Å; Y92-Y96 WeakPolarHBondContact CD1-OH 3.25Å; Y92-Y96 WeakPolarHBondContact CE1-OH 3.47Å; Y92-Y96 WeakPolarHBondContact CE2-OH 3.29Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.49Å; Y92-Y96 WeakPolarHBondContact O-CE2 3.48Å; Y92-Y96 PolarHBondContact OH-OH 2.84Å |
| 93 | E | 50.3 | Low | 52.9 | Low | 127 Ų | 127 | 146.8 Ų | 146.8 | 59% | 0.593 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.1 | -27.9 | 175.9 | -83.7 | -85.6 | 140.8 | 0 | 0 | 114 | H89 | H89-E93 PolarHBondContact O-N 2.89Å |
| 94 | H | 49.8 | Very low | 52.7 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -84.5 | -8.3 | 175.3 | -85 | -53.3 | 0 | 0 | 0 | 114.4 | R90 Y92 Y96 | R90-H94 PolarHBondContact O-CD2 2.86Å; R90-H94 PolarHBondContact O-N 3.24Å; Y92-H94 VanDerWaalsContact C-N 3.31Å; Y92-H94 PolarHBondContact O-N 2.87Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.23Å |
| 95 | G | 47.7 | Very low | 52.4 | Low | 58 Ų | 58 | 148 Ų | 148 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -77.1 | -13.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E91 Y92 | E91-G95 PolarHBondContact O-N 3Å; Y92-G95 PolarHBondContact O-N 3.35Å; Y92-G95 VanDerWaalsContact O-N 3.15Å |
| 96 | Y | 50.5 | Low | 52.1 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 55% | 0.553 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -100 | -5.6 | -177 | -38 | -73.7 | 0 | 0 | 0 | 114.2 | Y92 H94 | Y92-Y96 WeakPolarHBondContact CD1-OH 3.25Å; Y92-Y96 WeakPolarHBondContact CE1-OH 3.47Å; Y92-Y96 WeakPolarHBondContact CE2-OH 3.29Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.49Å; Y92-Y96 WeakPolarHBondContact O-CE2 3.48Å; Y92-Y96 PolarHBondContact OH-OH 2.84Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.23Å |
| 97 | V | 53.9 | Low | 51.6 | Low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -6.1 | -173.1 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 98 | L | 54.3 | Low | 51.6 | Low | 135 Ų | 135 | 136 Ų | 136 | 71% | 0.707 | 68% | 0.682 | S | S | * | * | trans | -122.1 | 49.6 | -176.1 | -148.1 | 81.2 | 0 | 0 | 0 | 112.8 | G100 | L98-G100 VanDerWaalsContact C-N 3.29Å; L98-G100 PolarHBondContact O-N 3.16Å | ||
| 99 | D | 52.1 | Low | 51.4 | Low | 181 Ų | 181 | 136.9 Ų | 136.9 | 97% | 0.968 | 69% | 0.685 | S | S | * | * | trans | -83.4 | 82.9 | 161.1 | -158.1 | 18.3 | 0 | 0 | 0 | 108.1 | ||||
| 100 | G | 55.1 | Low | 51.2 | Low | 34 Ų | 34 | 136 Ų | 136 | 35% | 0.351 | 68% | 0.683 | S | S | . | * | trans | 155.8 | 113.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L98 | L98-G100 VanDerWaalsContact C-N 3.29Å; L98-G100 PolarHBondContact O-N 3.16Å | ||
| 101 | H | 46.8 | Very low | 51 | Low | 177 Ų | 177 | 138 Ų | 138 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | trans | 109 | 80.2 | 168.8 | -47.9 | -18.6 | 0 | 0 | 0 | 114.9 | Y103 | H101-Y103 PolarHBondContact O-N 3.28Š| ||
| 102 | T | 56.1 | Low | 50.7 | Low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | -3.6 | 111.9 | 125.6 | 48.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 103 | Y | 49.5 | Very low | 50.2 | Low | 217 Ų | 217 | 137.3 Ų | 137.3 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | -175.1 | 121.9 | 118 | -129.7 | -104.8 | 0 | 0 | 0 | 110.1 | H101 H105 | H101-Y103 PolarHBondContact O-N 3.28Å; Y103-H105 PolarHBondContact O-N 3.32Å | |||
| 104 | S | 52 | Low | 50 | Low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | 6.8 | 109.4 | 145.8 | -154.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 105 | H | 50.4 | Low | 49.8 | Very low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -123 | 89.4 | 147.1 | -155.3 | -64.6 | 0 | 0 | 0 | 107.8 | Y103 S107 | Y103-H105 PolarHBondContact O-N 3.32Å; H105-S107 PolarHBondContact O-N 3.09Å; H105-S107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | S | 50.6 | Low | 49.8 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 51% | 0.51 | 73% | 0.725 | S | S | . | * | trans | -51.1 | 119.5 | 167.9 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | H108 | S106-H108 PolarHBondContact O-N 3.33Š| ||
| 107 | S | 45.6 | Very low | 49.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -69.6 | 99 | 170.1 | -61 | 0 | 0 | 0 | 0 | 106.4 | H105 R109 | H105-S107 PolarHBondContact O-N 3.09Å; H105-S107 VanDerWaalsContact O-N 3.12Å; S107-R109 PolarHBondContact O-N 3.28Å | ||
| 108 | H | 53.3 | Low | 49.6 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -64.2 | 71.8 | 163.8 | -93.3 | -83.7 | 0 | 0 | 0 | 109 | S106 M110 | S106-H108 PolarHBondContact O-N 3.33Å; H108-M110 PolarHBondContact O-N 2.9Å; H108-M110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | R | 48.3 | Very low | 49.5 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | -81.8 | 79.6 | 161.8 | -171.2 | -179.5 | -165.3 | -170.1 | 3.5 | 105.7 | S107 R111 | S107-R109 PolarHBondContact O-N 3.28Å; R109-R111 PolarHBondContact O-N 3.41Å | ||
| 110 | M | 48.6 | Very low | 49.4 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 58% | 0.576 | 73% | 0.732 | S | S | * | * | trans | -60.9 | 110.4 | 173.2 | -144.4 | 106.9 | 82.9 | 0 | 0 | 107.7 | H108 Y112 | H108-M110 PolarHBondContact O-N 2.9Å; H108-M110 VanDerWaalsContact O-N 3.16Å; M110-Y112 VanDerWaalsContact C-N 3.32Å; M110-Y112 HydrophobicContact CB-CD2 4.2Å; M110-Y112 HydrophobicContact CB-CE2 4.09Å; M110-Y112 HydrophobicContact CE-CE2 3.87Å; M110-Y112 HydrophobicContact CG-CD2 3.86Å; M110-Y112 HydrophobicContact CG-CE1 4.46Å; M110-Y112 HydrophobicContact CG-CE2 3.4Å; M110-Y112 VanDerWaalsContact CG-CE2 3.4Å; M110-Y112 PolarHBondContact O-N 3.49Å; M110-Y112 VanDerWaalsContact O-N 3.14Å; M110-Y112 HydrophobicContact SD-CE2 4.36Å | ||
| 111 | R | 49.3 | Very low | 49.1 | Very low | 219 Ų | 219 | 143.6 Ų | 143.6 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -78.1 | 87.8 | 168.3 | -67.5 | -160.6 | -173 | -169.3 | 5.6 | 107.3 | R109 A113 | R109-R111 PolarHBondContact O-N 3.41Å; R111-A113 VanDerWaalsContact C-N 3.32Å; R111-A113 PolarHBondContact O-N 2.85Å | ||
| 112 | Y | 46.9 | Very low | 49.5 | Very low | 183 Ų | 183 | 140 Ų | 140 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | -90.3 | 84.5 | 153 | -64.9 | -64.1 | 0 | 0 | 0 | 106.8 | M110 C114 | M110-Y112 VanDerWaalsContact C-N 3.32Å; M110-Y112 HydrophobicContact CB-CD2 4.2Å; M110-Y112 HydrophobicContact CB-CE2 4.09Å; M110-Y112 HydrophobicContact CE-CE2 3.87Å; M110-Y112 HydrophobicContact CG-CD2 3.86Å; M110-Y112 HydrophobicContact CG-CE1 4.46Å; M110-Y112 HydrophobicContact CG-CE2 3.4Å; M110-Y112 VanDerWaalsContact CG-CE2 3.4Å; M110-Y112 PolarHBondContact O-N 3.49Å; M110-Y112 VanDerWaalsContact O-N 3.14Å; M110-Y112 HydrophobicContact SD-CE2 4.36Å; Y112-C114 PolarHBondContact O-N 3.26Å | ||
| 113 | A | 42.1 | Very low | 49.1 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -73.4 | 107.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | R111 S115 | R111-A113 VanDerWaalsContact C-N 3.32Å; R111-A113 PolarHBondContact O-N 2.85Å; A113-S115 VanDerWaalsContact C-N 3.33Å; A113-S115 PolarHBondContact O-N 2.83Å | ||
| 114 | C | 47.8 | Very low | 49.1 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | trans | -64.1 | 102.5 | 161.8 | -62.3 | 0 | 0 | 0 | 0 | 106.3 | Y112 S116 | Y112-C114 PolarHBondContact O-N 3.26Å; C114-S116 PolarHBondContact O-N 3.27Å | ||
| 115 | S | 45.4 | Very low | 48.9 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 51% | 0.51 | 74% | 0.735 | S | S | . | * | trans | -57 | 116.4 | 162.6 | 28.3 | 0 | 0 | 0 | 0 | 107 | A113 S117 E118 | A113-S115 VanDerWaalsContact C-N 3.33Å; A113-S115 PolarHBondContact O-N 2.83Å; S115-S117 PolarHBondContact O-N 3.48Å; S115-E118 PolarHBondContact OG-OE2 3.41Å | ||
| 116 | S | 46.2 | Very low | 48.9 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -80.5 | 29.2 | -179.6 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | C114 | C114-S116 PolarHBondContact O-N 3.27Š|
| 117 | S | 53.3 | Low | 48.8 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | -161.9 | 52.9 | -163.9 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | S115 | S115-S117 PolarHBondContact O-N 3.48Š| ||
| 118 | E | 47.5 | Very low | 49.2 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -134.6 | 92.4 | 165.3 | -68.2 | 173.8 | 116.7 | 0 | 0 | 107.5 | S115 | S115-E118 PolarHBondContact OG-OE2 3.41Š|
| 119 | D | 52 | Low | 49.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 56.6 | 69.8 | 137.6 | -131.3 | 22.3 | 0 | 0 | 0 | 116.6 | P121 | D119-P121 WeakPolarHBondContact O-CD 3.29Š| ||
| 120 | W | 49.9 | Very low | 49.6 | Very low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 121.8 | 157.3 | -71.9 | 98.3 | 0 | 0 | 0 | 107.8 | ||
| 121 | P | 49.9 | Very low | 49.9 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 143.5 | 173.6 | 24.5 | -31 | 0 | 0 | 0 | 108.7 | D119 | D119-P121 WeakPolarHBondContact O-CD 3.29Š|
| 122 | P | 53.8 | Low | 50.4 | Low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 143.3 | 177.4 | 21.6 | -30.9 | 0 | 0 | 0 | 109.1 | L124 | P122-L124 PolarHBondContact O-N 2.89Š|
| 123 | P | 47.5 | Very low | 51.2 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -58.9 | 107.5 | 179.1 | 19.6 | -24.2 | 0 | 0 | 0 | 107.4 | D125 | P123-D125 PolarHBondContact O-N 2.89Š| ||
| 124 | L | 51 | Low | 52 | Low | 146 Ų | 146 | 122.1 Ų | 122.1 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -62.1 | 114.5 | 169.6 | -71.3 | 170.3 | 0 | 0 | 0 | 105 | P122 I126 | P122-L124 PolarHBondContact O-N 2.89Å; L124-I126 VanDerWaalsContact C-N 3.32Å; L124-I126 PolarHBondContact O-N 3.31Å | ||
| 125 | D | 48.3 | Very low | 52.7 | Low | 156 Ų | 156 | 120.7 Ų | 120.7 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -53.9 | 103.1 | 168.4 | -74.3 | -44.2 | 0 | 0 | 0 | 106.6 | P123 S127 | P123-D125 PolarHBondContact O-N 2.89Å; D125-S127 PolarHBondContact O-N 3.32Å | ||
| 126 | I | 49.1 | Very low | 53.7 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -68.2 | 84.9 | 173 | -57 | 172.1 | 0 | 0 | 0 | 105.1 | L124 S128 | L124-I126 VanDerWaalsContact C-N 3.32Å; L124-I126 PolarHBondContact O-N 3.31Å; I126-S128 PolarHBondContact O-N 3.07Å | ||
| 127 | S | 49.8 | Very low | 54.4 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | trans | -51.5 | 123.3 | 162.4 | 141.6 | 0 | 0 | 0 | 0 | 106.3 | D125 D129 | D125-S127 PolarHBondContact O-N 3.32Å; S127-D129 PolarHBondContact O-N 2.95Å | ||
| 128 | S | 54.1 | Low | 54.9 | Low | 131 Ų | 131 | 122.2 Ų | 122.2 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.1 | 43.8 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | I126 | I126-S128 PolarHBondContact O-N 3.07Š|
| 129 | D | 50.5 | Low | 55.6 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -128.9 | 112.2 | 167.6 | -160.4 | 11.3 | 0 | 0 | 0 | 106.9 | S127 D131 | S127-D129 PolarHBondContact O-N 2.95Å; D129-D131 PolarHBondContact O-N 2.95Å |
| 130 | G | 57.8 | Low | 56.3 | Low | 83 Ų | 83 | 120.7 Ų | 120.7 | 86% | 0.856 | 68% | 0.679 | S | S | * | * | trans | -77.6 | 81.9 | -159.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 131 | D | 55.3 | Low | 57.1 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | -147.4 | 76.6 | 162.1 | -157.7 | 26.1 | 0 | 0 | 0 | 110.5 | D129 | D129-D131 PolarHBondContact O-N 2.95Š| ||
| 132 | V | 60.6 | Low | 57.7 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -89.7 | 107.4 | 162.1 | 176.9 | 0 | 0 | 0 | 0 | 105.7 | A134 L137 | V132-A134 PolarHBondContact O-N 2.91Å; V132-L137 HydrophobicContact CG1-CD1 3.91Å | ||
| 133 | D | 62.9 | Low | 58.4 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 47% | 0.471 | 68% | 0.677 | S | S | . | * | trans | -54.2 | 111.8 | -179.2 | -166.2 | -14.4 | 0 | 0 | 0 | 109.8 | T135 V136 L137 | D133-T135 PolarHBondContact O-N 3.35Å; D133-T135 PolarHBondContact OD1-N 3.07Å; D133-T135 PolarHBondContact OD1-OG1 3.27Å; D133-T135 PolarHBondContact OD2-OG1 3.07Å; D133-V136 HydrophobicContact CB-CG2 4.04Å; D133-V136 WeakPolarHBondContact O-CB 3.41Å; D133-V136 PolarHBondContact O-N 3.1Å; D133-L137 PolarHBondContact O-N 3.32Å | ||
| 134 | A | 60.3 | Low | 59.4 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.3 | -21.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V132 L137 R138 | V132-A134 PolarHBondContact O-N 2.91Å; A134-L137 PolarHBondContact O-N 3.33Å; A134-R138 WeakPolarHBondContact O-CG 3.17Å; A134-R138 PolarHBondContact O-N 3.04Å |
| 135 | T | 62.2 | Low | 60.2 | Low | 93 Ų | 93 | 114.1 Ų | 114.1 | 57% | 0.571 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.7 | -42.4 | 175.1 | 62.7 | 0 | 0 | 0 | 0 | 112 | D133 L137 R138 E139 | D133-T135 PolarHBondContact O-N 3.35Å; D133-T135 PolarHBondContact OD1-N 3.07Å; D133-T135 PolarHBondContact OD1-OG1 3.27Å; D133-T135 PolarHBondContact OD2-OG1 3.07Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.45Å; T135-R138 PolarHBondContact O-N 2.96Å; T135-E139 PolarHBondContact O-N 2.86Å; T135-E139 VanDerWaalsContact O-N 3.17Å |
| 136 | V | 64.8 | Low | 61.3 | Low | 72 Ų | 72 | 110 Ų | 110 | 44% | 0.436 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | D133 E139 L140 | D133-V136 HydrophobicContact CB-CG2 4.04Å; D133-V136 WeakPolarHBondContact O-CB 3.41Å; D133-V136 PolarHBondContact O-N 3.1Å; V136-E139 PolarHBondContact O-N 3.29Å; V136-L140 HydrophobicContact CG1-CD1 4.46Å; V136-L140 PolarHBondContact O-N 2.89Å; V136-L140 VanDerWaalsContact O-N 3.1Å |
| 137 | L | 62.6 | Low | 62.5 | Low | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.8 | -35.5 | 177.5 | -144.3 | 73.3 | 0 | 0 | 0 | 112.6 | V132 D133 A134 T135 E139 Y141 | V132-L137 HydrophobicContact CG1-CD1 3.91Å; D133-L137 PolarHBondContact O-N 3.32Å; A134-L137 PolarHBondContact O-N 3.33Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.45Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-Y141 PolarHBondContact O-N 2.98Å |
| 138 | R | 62.3 | Low | 63.4 | Low | 159 Ų | 159 | 108.5 Ų | 108.5 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -29.8 | 172.8 | -77.7 | -164.4 | 109.5 | 144.4 | 10.2 | 113 | A134 T135 Y141 | A134-R138 WeakPolarHBondContact O-CG 3.17Å; A134-R138 PolarHBondContact O-N 3.04Å; T135-R138 PolarHBondContact O-N 2.96Å; R138-Y141 CarbonylContact O-C 3.45Å |
| 139 | E | 63.2 | Low | 64.2 | Low | 163 Ų | 163 | 108.6 Ų | 108.6 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.5 | -36.6 | 177.7 | -156.1 | 172.3 | -158.9 | 0 | 0 | 111.8 | T135 V136 L137 | T135-E139 PolarHBondContact O-N 2.86Å; T135-E139 VanDerWaalsContact O-N 3.17Å; V136-E139 PolarHBondContact O-N 3.29Å; L137-E139 VanDerWaalsContact C-N 3.32Å |
| 140 | L | 66.1 | Low | 65.1 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.5 | -25.3 | 174.8 | -100.5 | 71.4 | 0 | 0 | 0 | 113.8 | V136 | V136-L140 HydrophobicContact CG1-CD1 4.46Å; V136-L140 PolarHBondContact O-N 2.89Å; V136-L140 VanDerWaalsContact O-N 3.1Å |
| 141 | Y | 66.6 | Low | 65.6 | Low | 152 Ų | 152 | 106.3 Ų | 106.3 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | trans | -140.9 | 84.2 | -178.2 | -140.8 | -94.6 | 0 | 0 | 0 | 110.8 | L137 R138 D143 S144 | L137-Y141 PolarHBondContact O-N 2.98Å; R138-Y141 CarbonylContact O-C 3.45Å; Y141-D143 HydrophobicContact CD1-CB 4.43Å; Y141-D143 HydrophobicContact CE1-CB 4.33Å; Y141-D143 PolarHBondContact O-N 3.36Å; Y141-D143 VanDerWaalsContact O-N 3.16Å; Y141-S144 WeakPolarHBondContact O-CB 3.43Å; Y141-S144 PolarHBondContact O-N 3.49Å; Y141-S144 VanDerWaalsContact O-N 3.1Å; Y141-S144 PolarHBondContact O-OG 3.36Å | ||
| 142 | P | 62.9 | Low | 66.4 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -19 | -178 | 25.6 | -34 | 0 | 0 | 0 | 112.9 | S144 | P142-S144 VanDerWaalsContact C-N 3.34Š|
| 143 | D | 68.7 | Low | 67 | Low | 140 Ų | 140 | 99.8 Ų | 99.8 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 21.9 | 176.7 | -73.2 | -21 | 0 | 0 | 0 | 113.1 | Y141 | Y141-D143 HydrophobicContact CD1-CB 4.43Å; Y141-D143 HydrophobicContact CE1-CB 4.33Å; Y141-D143 PolarHBondContact O-N 3.36Å; Y141-D143 VanDerWaalsContact O-N 3.16Å |
| 144 | S | 68.7 | Low | 67.1 | Low | 40 Ų | 40 | 102.3 Ų | 102.3 | 28% | 0.28 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 126.4 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | Y141 P142 | Y141-S144 WeakPolarHBondContact O-CB 3.43Å; Y141-S144 PolarHBondContact O-N 3.49Å; Y141-S144 VanDerWaalsContact O-N 3.1Å; Y141-S144 PolarHBondContact O-OG 3.36Å; P142-S144 VanDerWaalsContact C-N 3.34Å |
| 145 | P | 66.8 | Low | 67.2 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 71% | 0.714 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147 | 174.8 | 25.3 | -32.2 | 0 | 0 | 0 | 109.9 | ||
| 146 | P | 71.5 | Confident | 67.2 | Low | 69 Ų | 69 | 98.1 Ų | 98.1 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 144.7 | -178.4 | 21.2 | -31.4 | 0 | 0 | 0 | 111.4 | E150 | P146-E150 HydrophobicContact CB-CB 4.3Å; P146-E150 WeakPolarHBondContact CB-OE2 3.26Å |
| 147 | G | 74 | Confident | 66.8 | Low | 26 Ų | 26 | 99.9 Ų | 99.9 | 27% | 0.268 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 159.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E149 E150 C151 | G147-E149 VanDerWaalsContact C-N 3.3Å; G147-E149 PolarHBondContact O-N 3.49Å; G147-E150 WeakPolarHBondContact O-CB 3.38Å; G147-E150 PolarHBondContact O-N 3.49Å; G147-C151 PolarHBondContact O-N 2.81Å; G147-C151 VanDerWaalsContact O-N 3.07Å; G147-C151 PolarHBondContact O-SG 3.38Å |
| 148 | Y | 68.9 | Low | 66.6 | Low | 180 Ų | 180 | 103.7 Ų | 103.7 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57 | -45.8 | -179.3 | 171.5 | -95.2 | 0 | 0 | 0 | 111.1 | E150 C151 V152 | Y148-E150 VanDerWaalsContact C-N 3.26Å; Y148-E150 PolarHBondContact O-N 3.16Å; Y148-C151 CarbonylContact O-C 3.56Å; Y148-C151 WeakPolarHBondContact O-CA 3.13Å; Y148-C151 WeakPolarHBondContact O-CB 3.22Å; Y148-C151 PolarHBondContact O-N 2.9Å; Y148-V152 HydrophobicContact CD1-CG2 3.99Å; Y148-V152 HydrophobicContact CD2-CG1 4.22Å; Y148-V152 HydrophobicContact CE1-CG1 4.31Å; Y148-V152 HydrophobicContact CE1-CG2 3.61Å; Y148-V152 HydrophobicContact CE2-CG1 3.77Å; Y148-V152 WeakPolarHBondContact O-CG2 3.49Å; Y148-V152 PolarHBondContact O-N 2.92Å |
| 149 | E | 72.5 | Confident | 66.4 | Low | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -29.7 | 176.7 | 60.8 | -70.5 | 158.4 | 0 | 0 | 113.7 | G147 G153 | G147-E149 VanDerWaalsContact C-N 3.3Å; G147-E149 PolarHBondContact O-N 3.49Å; E149-G153 VanDerWaalsContact O-CA 3.26Å; E149-G153 WeakPolarHBondContact O-CA 3.22Å; E149-G153 PolarHBondContact O-N 3.47Å |
| 150 | E | 69.4 | Low | 66 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -78 | -27.2 | 175.2 | -153.2 | 170.6 | -155.8 | 0 | 0 | 111.3 | P146 G147 Y148 A156 | P146-E150 HydrophobicContact CB-CB 4.3Å; P146-E150 WeakPolarHBondContact CB-OE2 3.26Å; G147-E150 WeakPolarHBondContact O-CB 3.38Å; G147-E150 PolarHBondContact O-N 3.49Å; Y148-E150 VanDerWaalsContact C-N 3.26Å; Y148-E150 PolarHBondContact O-N 3.16Å; E150-A156 WeakPolarHBondContact O-CB 3.38Å |
| 151 | C | 66.9 | Low | 65.8 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -86.4 | -20.8 | 177.2 | -62 | 0 | 0 | 0 | 0 | 114.5 | G147 Y148 A156 | G147-C151 PolarHBondContact O-N 2.81Å; G147-C151 VanDerWaalsContact O-N 3.07Å; G147-C151 PolarHBondContact O-SG 3.38Å; Y148-C151 CarbonylContact O-C 3.56Å; Y148-C151 WeakPolarHBondContact O-CA 3.13Å; Y148-C151 WeakPolarHBondContact O-CB 3.22Å; Y148-C151 PolarHBondContact O-N 2.9Å; C151-A156 WeakPolarHBondContact O-CB 3.34Å |
| 152 | V | 72.3 | Confident | 65.1 | Low | 86 Ų | 86 | 100.9 Ų | 100.9 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -116.3 | -5.1 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | Y148 | Y148-V152 HydrophobicContact CD1-CG2 3.99Å; Y148-V152 HydrophobicContact CD2-CG1 4.22Å; Y148-V152 HydrophobicContact CE1-CG1 4.31Å; Y148-V152 HydrophobicContact CE1-CG2 3.61Å; Y148-V152 HydrophobicContact CE2-CG1 3.77Å; Y148-V152 WeakPolarHBondContact O-CG2 3.49Å; Y148-V152 PolarHBondContact O-N 2.92Å |
| 153 | G | 72.9 | Confident | 65 | Low | 21 Ų | 21 | 100.7 Ų | 100.7 | 22% | 0.216 | 57% | 0.571 | C | S | . | * | S | Bend | trans | -73.5 | 168.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E149 G155 A156 | E149-G153 VanDerWaalsContact O-CA 3.26Å; E149-G153 WeakPolarHBondContact O-CA 3.22Å; E149-G153 PolarHBondContact O-N 3.47Å; G153-G155 PolarHBondContact O-N 2.92Å; G153-A156 VanDerWaalsContact O-CB 3.27Å; G153-A156 WeakPolarHBondContact O-CB 3.47Å; G153-A156 PolarHBondContact O-N 3.38Å |
| 154 | P | 65.4 | Low | 64.7 | Low | 142 Ų | 142 | 101.8 Ų | 101.8 | 92% | 0.922 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -9.8 | -177.5 | -21.8 | 32.2 | 0 | 0 | 0 | 115.7 | ||
| 155 | G | 62 | Low | 64.4 | Low | 49 Ų | 49 | 103 Ų | 103 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -7.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | G153 T157 Q158 | G153-G155 PolarHBondContact O-N 2.92Å; G155-T157 VanDerWaalsContact C-N 3.27Å; G155-T157 PolarHBondContact O-N 3.36Å; G155-Q158 PolarHBondContact O-N 3.48Å |
| 156 | A | 62.9 | Low | 64.3 | Low | 24 Ų | 24 | 101.8 Ų | 101.8 | 20% | 0.198 | 58% | 0.582 | C | S | . | * | G | 310 helix | trans | -66.8 | -25.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | E150 C151 G153 Q158 L159 | E150-A156 WeakPolarHBondContact O-CB 3.38Å; C151-A156 WeakPolarHBondContact O-CB 3.34Å; G153-A156 VanDerWaalsContact O-CB 3.27Å; G153-A156 WeakPolarHBondContact O-CB 3.47Å; G153-A156 PolarHBondContact O-N 3.38Å; A156-Q158 PolarHBondContact O-N 3.03Å; A156-Q158 VanDerWaalsContact O-N 3.09Å; A156-L159 PolarHBondContact O-N 2.91Å |
| 157 | T | 56.3 | Low | 63.9 | Low | 108 Ų | 108 | 103.7 Ų | 103.7 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -68 | -6.4 | 179.6 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | G155 | G155-T157 VanDerWaalsContact C-N 3.27Å; G155-T157 PolarHBondContact O-N 3.36Å |
| 158 | Q | 58.9 | Low | 63.3 | Low | 176 Ų | 176 | 108.2 Ų | 108.2 | 82% | 0.822 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -84.2 | -16.8 | 176 | -68.3 | -155.5 | 64.6 | 0 | 0 | 114.6 | G155 A156 | G155-Q158 PolarHBondContact O-N 3.48Å; A156-Q158 PolarHBondContact O-N 3.03Å; A156-Q158 VanDerWaalsContact O-N 3.09Å |
| 159 | L | 58.3 | Low | 62.6 | Low | 148 Ų | 148 | 109.2 Ų | 109.2 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -96.7 | -16 | -173.3 | -81.7 | 167.4 | 0 | 0 | 0 | 115.1 | A156 | A156-L159 PolarHBondContact O-N 2.91Š|
| 160 | Y | 53.7 | Low | 62 | Low | 177 Ų | 177 | 107.5 Ų | 107.5 | 69% | 0.694 | 63% | 0.626 | S | S | * | * | trans | -161.5 | 101 | 172.5 | -171.9 | -107.2 | 0 | 0 | 0 | 108.3 | P162 | Y160-P162 HydrophobicContact CD1-CB 4.22Å; Y160-P162 HydrophobicContact CD1-CG 3.99Å; Y160-P162 HydrophobicContact CE1-CB 3.89Å; Y160-P162 HydrophobicContact CE1-CG 4.15Å; Y160-P162 WeakPolarHBondContact O-CD 3.32Å | ||
| 161 | V | 62.4 | Low | 61.4 | Low | 112 Ų | 112 | 110.3 Ų | 110.3 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | trans | -71.5 | 112.4 | 159 | 178.5 | 0 | 0 | 0 | 0 | 104.7 | T163 | V161-T163 PolarHBondContact O-N 2.86Š| ||
| 162 | P | 51.9 | Low | 60.7 | Low | 92 Ų | 92 | 112.3 Ų | 112.3 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | trans | -62.8 | 106.3 | 172.3 | -13.9 | 29.6 | 0 | 0 | 0 | 105.9 | Y160 D164 | Y160-P162 HydrophobicContact CD1-CB 4.22Å; Y160-P162 HydrophobicContact CD1-CG 3.99Å; Y160-P162 HydrophobicContact CE1-CB 3.89Å; Y160-P162 HydrophobicContact CE1-CG 4.15Å; Y160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-D164 PolarHBondContact O-N 2.87Å | ||
| 163 | T | 61 | Low | 59.9 | Low | 107 Ų | 107 | 115.5 Ų | 115.5 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | trans | -57.4 | 110.9 | 170.6 | -55.5 | 0 | 0 | 0 | 0 | 106.3 | V161 A165 | V161-T163 PolarHBondContact O-N 2.86Å; T163-A165 HydrophobicContact CG2-CB 4.18Å; T163-A165 CarbonylContact O-C 3.53Å; T163-A165 PolarHBondContact O-N 3.03Å | ||
| 164 | D | 62.2 | Low | 58.7 | Low | 163 Ų | 163 | 119.6 Ų | 119.6 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -60.6 | -7.2 | -179.5 | -172.5 | 42.4 | 0 | 0 | 0 | 113.2 | P162 P166 | P162-D164 PolarHBondContact O-N 2.87Å; D164-P166 WeakPolarHBondContact O-CD 3.42Å |
| 165 | A | 61.8 | Low | 57.8 | Low | 65 Ų | 65 | 118.2 Ų | 118.2 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -90.6 | 112.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T163 | T163-A165 HydrophobicContact CG2-CB 4.18Å; T163-A165 CarbonylContact O-C 3.53Å; T163-A165 PolarHBondContact O-N 3.03Å |
| 166 | P | 64.5 | Low | 57 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -53 | 143.3 | 165.2 | 24.1 | -32.7 | 0 | 0 | 0 | 108.5 | D164 | D164-P166 WeakPolarHBondContact O-CD 3.42Š|
| 167 | P | 62.6 | Low | 56.3 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -51 | 133.1 | 174.2 | 20.9 | -30.9 | 0 | 0 | 0 | 108.2 | Y169 | P167-Y169 PolarHBondContact O-N 3.33Š|
| 168 | P | 62.3 | Low | 55.7 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 118.6 | -174.7 | 22.2 | -31.7 | 0 | 0 | 0 | 108.3 | S170 | P168-S170 PolarHBondContact O-N 3.17Š|
| 169 | Y | 54.7 | Low | 55.2 | Low | 201 Ų | 201 | 126.2 Ų | 126.2 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | trans | -62.5 | 106.8 | 168.1 | -67.4 | -81 | 0 | 0 | 0 | 107 | P167 L171 | P167-Y169 PolarHBondContact O-N 3.33Å; Y169-L171 VanDerWaalsContact C-N 3.35Å; Y169-L171 PolarHBondContact O-N 3.33Å | ||
| 170 | S | 58.6 | Low | 54.3 | Low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | -63.8 | 100.8 | 164.6 | -66.2 | 0 | 0 | 0 | 0 | 107.5 | P168 T172 | P168-S170 PolarHBondContact O-N 3.17Å; S170-T172 PolarHBondContact O-N 2.8Å | ||
| 171 | L | 57.3 | Low | 53.8 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -67.8 | 65.3 | 160.3 | -83.3 | 165.5 | 0 | 0 | 0 | 108.7 | Y169 D173 | Y169-L171 VanDerWaalsContact C-N 3.35Å; Y169-L171 PolarHBondContact O-N 3.33Å; L171-D173 PolarHBondContact O-N 3.47Å | ||
| 172 | T | 53.1 | Low | 52.7 | Low | 113 Ų | 113 | 119.4 Ų | 119.4 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | trans | -91.2 | 62 | 160 | 54.9 | 0 | 0 | 0 | 0 | 108.1 | S170 S174 | S170-T172 PolarHBondContact O-N 2.8Å; T172-S174 PolarHBondContact O-N 2.83Å | ||
| 173 | D | 54.6 | Low | 52.3 | Low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -80.2 | 82.9 | 150.5 | -97.1 | -17.5 | 0 | 0 | 0 | 106.5 | L171 | L171-D173 PolarHBondContact O-N 3.47Š| ||
| 174 | S | 48.3 | Very low | 51.1 | Low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -112 | 88.9 | 155.7 | -62.5 | 0 | 0 | 0 | 0 | 105.8 | T172 P176 | T172-S174 PolarHBondContact O-N 2.83Å; S174-P176 WeakPolarHBondContact O-CD 3.37Å | ||
| 175 | C | 46.7 | Very low | 50.1 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -56.5 | 121.8 | 161.1 | -158.4 | 0 | 0 | 0 | 0 | 106.4 | T177 | C175-T177 PolarHBondContact O-N 3.01Š| ||
| 176 | P | 45.9 | Very low | 48.8 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | trans | -65.7 | 109.4 | 168.3 | 25.4 | -28.9 | 0 | 0 | 0 | 106.7 | S174 L178 | S174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 3.36Å | ||
| 177 | T | 46.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -54.3 | 100 | 160.3 | -57.7 | 0 | 0 | 0 | 0 | 106.4 | C175 D179 | C175-T177 PolarHBondContact O-N 3.01Å; T177-D179 PolarHBondContact O-N 3.05Å | ||
| 178 | L | 44.3 | Very low | 46.2 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 84.9 | 165.6 | -97.6 | 153.5 | 0 | 0 | 0 | 106.5 | P176 G180 | P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 3.36Å; L178-G180 PolarHBondContact O-N 3.04Å | ||
| 179 | D | 48.6 | Very low | 44.8 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -65.4 | 83 | 154.7 | -88.2 | -20.3 | 0 | 0 | 0 | 106.9 | T177 T181 | T177-D179 PolarHBondContact O-N 3.05Å; D179-T181 VanDerWaalsContact C-N 3.31Å; D179-T181 PolarHBondContact O-N 3.49Å | ||
| 180 | G | 40.2 | Very low | 44.5 | Very low | 61 Ų | 61 | 120.5 Ų | 120.5 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -66.2 | 94.5 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | L178 S182 | L178-G180 PolarHBondContact O-N 3.04Å; G180-S182 PolarHBondContact O-N 2.84Å | ||
| 181 | T | 41.9 | Very low | 43.1 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -43.3 | 104.1 | 164.8 | -33.7 | 0 | 0 | 0 | 0 | 109.9 | D179 N183 | D179-T181 VanDerWaalsContact C-N 3.31Å; D179-T181 PolarHBondContact O-N 3.49Å; T181-N183 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 182 | S | 40.6 | Very low | 42.1 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -95.8 | 92.6 | 155.2 | 48 | 0 | 0 | 0 | 0 | 107 | G180 S184 | G180-S182 PolarHBondContact O-N 2.84Å; S182-S184 VanDerWaalsContact C-N 3.32Å; S182-S184 PolarHBondContact O-N 3.46Å | ||
| 183 | N | 42.5 | Very low | 41.2 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 97.7 | 162.4 | -78.2 | -16.6 | 0 | 0 | 0 | 107.7 | T181 | T181-N183 WeakPolarHBondContact CG2-OD1 3.5Š| ||
| 184 | S | 36.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -113.2 | 86.5 | 154.6 | -160 | 0 | 0 | 0 | 0 | 107.3 | S182 S186 | S182-S184 VanDerWaalsContact C-N 3.32Å; S182-S184 PolarHBondContact O-N 3.46Å; S184-S186 VanDerWaalsContact C-N 3.34Å; S184-S186 PolarHBondContact O-N 2.79Å; S184-S186 VanDerWaalsContact O-N 3.09Å | ||
| 185 | G | 40.7 | Very low | 39.9 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -67.1 | 99 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 186 | S | 35.7 | Very low | 39.3 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -154.1 | 123.6 | 154.1 | -152.5 | 0 | 0 | 0 | 0 | 110.3 | S184 | S184-S186 VanDerWaalsContact C-N 3.34Å; S184-S186 PolarHBondContact O-N 2.79Å; S184-S186 VanDerWaalsContact O-N 3.09Å | ||
| 187 | S | 36.8 | Very low | 39 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -56.7 | 144.8 | -175.5 | 33.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 188 | H | 34 | Very low | 38.4 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | 78.5 | 111.1 | 148.5 | -56.7 | -30.2 | 0 | 0 | 0 | 120.4 | ||||
| 189 | S | 33.1 | Very low | 38.1 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -60.5 | 172.6 | 150.3 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 190 | P | 48.3 | Very low | 37.6 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | cis | -137.3 | 168.2 | 11.6 | 39 | -19.3 | 0 | 0 | 0 | 116 | ||||
| 191 | G | 29.9 | Very low | 37.6 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -178 | 108.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 192 | R | 36.1 | Very low | 37.7 | Very low | 209 Ų | 209 | 141.6 Ų | 141.6 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 161.6 | -177.9 | -79.2 | -162.8 | 160.4 | -157 | -9.4 | 114.1 | ||||
| 193 | H | 35.5 | Very low | 38.2 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | 79 | 132.8 | 154.2 | -55 | -70 | 0 | 0 | 0 | 115.5 | ||||
| 194 | Q | 38.1 | Very low | 38.1 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | cis | -146.4 | 129.3 | 18.7 | -62 | 175.4 | 11.9 | 0 | 0 | 107.8 | ||||
| 195 | Q | 37.5 | Very low | 38.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | 46.5 | 98.2 | 107.5 | -166.5 | 162.6 | -5.9 | 0 | 0 | 116.3 | |||||
| 196 | E | 33.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -140.5 | 117.7 | 140.1 | -168.6 | 112.7 | 157 | 0 | 0 | 107.7 | R198 | E196-R198 PolarHBondContact O-N 3.24Š| ||
| 197 | Q | 40.3 | Very low | 39.9 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -66.9 | 114.4 | -179.2 | -71.8 | 166.7 | -16.6 | 0 | 0 | 110.5 | ||||
| 198 | R | 32.9 | Very low | 41 | Very low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -132 | 116.1 | 147.4 | -79.8 | -164.5 | 175.2 | 105.1 | 1 | 109.2 | E196 | E196-R198 PolarHBondContact O-N 3.24Š| ||
| 199 | T | 37.4 | Very low | 42.2 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -46.5 | 132.5 | 175.9 | 31.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 200 | P | 38.8 | Very low | 43.6 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -67.2 | 131.3 | 176.2 | -16.2 | 29.4 | 0 | 0 | 0 | 111.4 | Q202 | P200-Q202 PolarHBondContact O-N 3.47Å; P200-Q202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | A | 40.1 | Very low | 44.4 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -54.8 | 113.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S203 | A201-S203 VanDerWaalsContact C-N 3.33Å; A201-S203 PolarHBondContact O-N 3.26Å; A201-S203 VanDerWaalsContact O-N 3.07Å | ||
| 202 | Q | 43.7 | Very low | 46.1 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -78.1 | 87.8 | 167.8 | -70.3 | -174.8 | -1.9 | 0 | 0 | 108.6 | P200 G204 | P200-Q202 PolarHBondContact O-N 3.47Å; P200-Q202 VanDerWaalsContact O-N 3.16Å; Q202-G204 PolarHBondContact O-N 3.1Å | ||
| 203 | S | 51.4 | Low | 47.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -77.2 | 79.2 | 156.7 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | A201 | A201-S203 VanDerWaalsContact C-N 3.33Å; A201-S203 PolarHBondContact O-N 3.26Å; A201-S203 VanDerWaalsContact O-N 3.07Å | ||
| 204 | G | 39.8 | Very low | 49.1 | Very low | 45 Ų | 45 | 134.3 Ų | 134.3 | 46% | 0.464 | 73% | 0.73 | S | S | . | * | trans | -116.8 | 129.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q202 H206 | Q202-G204 PolarHBondContact O-N 3.1Å; G204-H206 PolarHBondContact O-N 3.01Å; G204-H206 VanDerWaalsContact O-N 3.07Å | ||
| 205 | L | 50 | Low | 50.7 | Low | 177 Ų | 177 | 130.5 Ų | 130.5 | 93% | 0.927 | 72% | 0.721 | S | S | * | * | trans | -53.8 | 114.6 | 169.7 | -69.5 | 164.6 | 0 | 0 | 0 | 108.7 | T207 | L205-T207 PolarHBondContact O-N 3.25Å; L205-T207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | H | 51.4 | Low | 51.4 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | -76.9 | 99 | 177.1 | -68.9 | -77.3 | 0 | 0 | 0 | 109.2 | G204 V208 | G204-H206 PolarHBondContact O-N 3.01Å; G204-H206 VanDerWaalsContact O-N 3.07Å; H206-V208 HydrophobicContact CB-CG2 4.5Å; H206-V208 PolarHBondContact O-N 2.84Å | ||
| 207 | T | 50.8 | Low | 53 | Low | 138 Ų | 138 | 131.4 Ų | 131.4 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -73.9 | 101.1 | 156.5 | 46.3 | 0 | 0 | 0 | 0 | 107.2 | L205 S209 | L205-T207 PolarHBondContact O-N 3.25Å; L205-T207 VanDerWaalsContact O-N 3.14Å; T207-S209 PolarHBondContact O-N 3.07Å | ||
| 208 | V | 59.6 | Low | 54.2 | Low | 86 Ų | 86 | 126.4 Ų | 126.4 | 52% | 0.521 | 71% | 0.706 | S | S | . | * | trans | -76.1 | 117.7 | 172.7 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | H206 L213 | H206-V208 HydrophobicContact CB-CG2 4.5Å; H206-V208 PolarHBondContact O-N 2.84Å; V208-L213 HydrophobicContact CG1-CD2 4.32Å | ||
| 209 | S | 58.7 | Low | 55.5 | Low | 62 Ų | 62 | 120.7 Ų | 120.7 | 43% | 0.434 | 70% | 0.696 | S | S | . | * | trans | -60.4 | 141.2 | 173.2 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | T207 D211 T212 | T207-S209 PolarHBondContact O-N 3.07Å; S209-D211 PolarHBondContact O-N 2.82Å; S209-D211 VanDerWaalsContact O-N 3.13Å; S209-T212 PolarHBondContact N-OG1 3.44Å; S209-T212 PolarHBondContact O-N 2.95Å; S209-T212 PolarHBondContact O-OG1 3.37Å | ||
| 210 | M | 62.1 | Low | 56.5 | Low | 133 Ų | 133 | 118.1 Ų | 118.1 | 66% | 0.655 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -57.9 | -26.7 | 176.1 | -70.8 | -68.6 | 94.4 | 0 | 0 | 112.3 | T212 L213 | M210-T212 PolarHBondContact O-N 2.74Å; M210-L213 HydrophobicContact CE-CD1 3.41Å; M210-L213 VanDerWaalsContact CE-CD1 3.41Å; M210-L213 HydrophobicContact CE-CG 4.15Å; M210-L213 PolarHBondContact O-N 2.77Å; M210-L213 HydrophobicContact SD-CD1 3.77Å |
| 211 | D | 66.1 | Low | 57.2 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -72.5 | -8.4 | 177.5 | -55.6 | -39.3 | 0 | 0 | 0 | 113.8 | S209 | S209-D211 PolarHBondContact O-N 2.82Å; S209-D211 VanDerWaalsContact O-N 3.13Å |
| 212 | T | 64.8 | Low | 57.9 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -101.7 | -0.3 | 176.5 | 15.3 | 0 | 0 | 0 | 0 | 113.4 | S209 M210 | S209-T212 PolarHBondContact N-OG1 3.44Å; S209-T212 PolarHBondContact O-N 2.95Å; S209-T212 PolarHBondContact O-OG1 3.37Å; M210-T212 PolarHBondContact O-N 2.74Å |
| 213 | L | 68.6 | Low | 58.3 | Low | 93 Ų | 93 | 109.5 Ų | 109.5 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -77.9 | 137.1 | 175.3 | -68.5 | -179.9 | 0 | 0 | 0 | 110.6 | V208 M210 | V208-L213 HydrophobicContact CG1-CD2 4.32Å; M210-L213 HydrophobicContact CE-CD1 3.41Å; M210-L213 VanDerWaalsContact CE-CD1 3.41Å; M210-L213 HydrophobicContact CE-CG 4.15Å; M210-L213 PolarHBondContact O-N 2.77Å; M210-L213 HydrophobicContact SD-CD1 3.77Å |
| 214 | P | 66.4 | Low | 58.4 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 140.4 | 173.2 | 24.1 | -30.7 | 0 | 0 | 0 | 109.8 | A218 V219 | P214-A218 HydrophobicContact CB-CB 3.91Å; P214-V219 HydrophobicContact CG-CG2 4.02Å |
| 215 | P | 71.4 | Confident | 58.7 | Low | 100 Ų | 100 | 112.9 Ų | 112.9 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 150.4 | 174 | 21.6 | -30.1 | 0 | 0 | 0 | 110.2 | E217 A218 | P215-E217 PolarHBondContact O-N 3.21Å; P215-A218 WeakPolarHBondContact O-CB 2.93Å; P215-A218 PolarHBondContact O-N 2.73Å |
| 216 | Y | 52.8 | Low | 58.5 | Low | 190 Ų | 190 | 110 Ų | 110 | 75% | 0.745 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -46.7 | -36.2 | -171.5 | 177.9 | -102.2 | 0 | 0 | 0 | 113.9 | A218 V219 C220 | Y216-A218 VanDerWaalsContact C-N 3.27Å; Y216-A218 PolarHBondContact O-N 3.04Å; Y216-V219 PolarHBondContact O-N 2.96Å; Y216-C220 PolarHBondContact O-N 3.39Å |
| 217 | E | 66.3 | Low | 58 | Low | 167 Ų | 167 | 104.8 Ų | 104.8 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.1 | -24.3 | -179 | -48.8 | -159.5 | 177 | 0 | 0 | 113.9 | P215 G221 | P215-E217 PolarHBondContact O-N 3.21Å; E217-G221 PolarHBondContact O-N 2.76Å |
| 218 | A | 66.1 | Low | 57.5 | Low | 63 Ų | 63 | 106.5 Ų | 106.5 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -83.6 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P214 P215 Y216 | P214-A218 HydrophobicContact CB-CB 3.91Å; P215-A218 WeakPolarHBondContact O-CB 2.93Å; P215-A218 PolarHBondContact O-N 2.73Å; Y216-A218 VanDerWaalsContact C-N 3.27Å; Y216-A218 PolarHBondContact O-N 3.04Å |
| 219 | V | 58.7 | Low | 56.8 | Low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.9 | -26.5 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | P214 Y216 | P214-V219 HydrophobicContact CG-CG2 4.02Å; Y216-V219 PolarHBondContact O-N 2.96Å |
| 220 | C | 58.2 | Low | 56.1 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 55% | 0.554 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92.3 | 7.5 | 177.3 | -65.6 | 0 | 0 | 0 | 0 | 114.4 | Y216 A222 | Y216-C220 PolarHBondContact O-N 3.39Å; C220-A222 PolarHBondContact O-N 2.85Å |
| 221 | G | 53.3 | Low | 55.4 | Low | 55 Ų | 55 | 114.1 Ų | 114.1 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -85.2 | 110.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E217 | E217-G221 PolarHBondContact O-N 2.76Š|
| 222 | A | 55.9 | Low | 54.5 | Low | 102 Ų | 102 | 113 Ų | 113 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | 59 | 64 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | C220 | C220-A222 PolarHBondContact O-N 2.85Š| ||
| 223 | G | 52.9 | Low | 53.5 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | trans | -72.1 | 150.9 | 149 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 224 | P | 51.6 | Low | 52.4 | Low | 109 Ų | 109 | 113.1 Ų | 113.1 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | -59.6 | 150.7 | 178.8 | 25.1 | -33.1 | 0 | 0 | 0 | 111.5 | S226 | P224-S226 VanDerWaalsContact C-N 3.33Å; P224-S226 PolarHBondContact O-N 3.49Å | ||
| 225 | P | 47.2 | Very low | 51.2 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -71.9 | 88.7 | -172.4 | 30.9 | -33.7 | 0 | 0 | 0 | 109.8 | G227 | P225-G227 PolarHBondContact O-N 3.46Š| ||
| 226 | S | 46.3 | Very low | 49.8 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -80.1 | 99.3 | 171.6 | -69.3 | 0 | 0 | 0 | 0 | 108.1 | P224 | P224-S226 VanDerWaalsContact C-N 3.33Å; P224-S226 PolarHBondContact O-N 3.49Å | ||
| 227 | G | 40.1 | Very low | 48.9 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | 47.5 | 91.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P225 L229 | P225-G227 PolarHBondContact O-N 3.46Å; G227-L229 PolarHBondContact O-N 3.06Å | ||
| 228 | L | 41.1 | Very low | 47.7 | Very low | 175 Ų | 175 | 106.9 Ų | 106.9 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -49.2 | 105.9 | 161.4 | -68.2 | 168.8 | 0 | 0 | 0 | 110 | P230 | L228-P230 WeakPolarHBondContact O-CD 3.26Š| ||
| 229 | L | 45.1 | Very low | 46.1 | Very low | 160 Ų | 160 | 116.1 Ų | 116.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -67.1 | 118.5 | 153.5 | -84 | 160.3 | 0 | 0 | 0 | 107 | G227 L231 | G227-L229 PolarHBondContact O-N 3.06Å; L229-L231 PolarHBondContact O-N 3.24Å; L229-L231 VanDerWaalsContact O-N 3.16Å | ||
| 230 | P | 43.5 | Very low | 44.8 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -78.8 | 102.4 | 171.9 | 28.6 | -25.7 | 0 | 0 | 0 | 108.2 | L228 | L228-P230 WeakPolarHBondContact O-CD 3.26Š| ||
| 231 | L | 47.8 | Very low | 43.8 | Very low | 159 Ų | 159 | 115.7 Ų | 115.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 139.5 | 159.2 | -74.7 | 173 | 0 | 0 | 0 | 108.9 | L229 G233 | L229-L231 PolarHBondContact O-N 3.24Å; L229-L231 VanDerWaalsContact O-N 3.16Å; L231-G233 PolarHBondContact O-N 3.13Å | ||
| 232 | P | 45.8 | Very low | 43.1 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -75.7 | 121.3 | -175.6 | 30.4 | -31.1 | 0 | 0 | 0 | 109.6 | ||||
| 233 | G | 43.8 | Very low | 41.9 | Very low | 64 Ų | 64 | 121.4 Ų | 121.4 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -152.9 | 147.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L231 | L231-G233 PolarHBondContact O-N 3.13Š| ||
| 234 | P | 46.1 | Very low | 41.1 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -74.5 | 136.5 | -155.3 | -7.6 | 25 | 0 | 0 | 0 | 111.9 | ||||
| 235 | G | 41.1 | Very low | 40.9 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -57.6 | 149.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 236 | P | 43.2 | Very low | 40.4 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -146.7 | 154.5 | 106.1 | 34.9 | -18.4 | 0 | 0 | 0 | 114.7 | |||||
| 237 | G | 33.6 | Very low | 40 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 99.9 | 108.4 | 133.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 238 | S | 39.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -43 | 139.2 | 165.1 | 56 | 0 | 0 | 0 | 0 | 120 | ||||
| 239 | R | 33.9 | Very low | 39.5 | Very low | 257 Ų | 257 | 127.9 Ų | 127.9 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | 164.3 | 140.4 | 138.2 | -107.7 | -179.4 | 171.3 | -161.5 | -2.3 | 106.8 | ||||
| 240 | G | 31.9 | Very low | 38.9 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 152.7 | 137.4 | 9.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | S | 36.3 | Very low | 38.5 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 69.7 | 116.5 | 157 | 81.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 242 | Q | 37.9 | Very low | 38 | Very low | 200 Ų | 200 | 124.7 Ų | 124.7 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | 68.2 | 132.7 | 122.7 | -69.1 | -157.8 | 9.4 | 0 | 0 | 123.1 | |||||
| 243 | G | 31.2 | Very low | 37.5 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 130.1 | 93.7 | 133.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 244 | S | 36.3 | Very low | 37.1 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 154.1 | 158.8 | -174.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 245 | P | 46.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | -145.9 | 148.3 | 97.5 | 32.6 | -13.5 | 0 | 0 | 0 | 115.9 | |||||
| 246 | T | 36.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -69.3 | 150.2 | 164.3 | 21.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 247 | P | 39.7 | Very low | 37.4 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -108.1 | 124.2 | 157.6 | 33 | -21.6 | 0 | 0 | 0 | 111.8 | ||||
| 248 | T | 37.3 | Very low | 37.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -72.5 | 123.1 | 172 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 249 | Q | 32.8 | Very low | 38.1 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -75.4 | 132.5 | 164.3 | -80.1 | 178.7 | -4.8 | 0 | 0 | 110 | ||||
| 250 | A | 32.3 | Very low | 38.3 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -126.1 | 134.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 251 | L | 35 | Very low | 38.6 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -81.6 | 160.4 | -169.2 | -148.2 | 83 | 0 | 0 | 0 | 112.4 | ||||
| 252 | A | 36.6 | Very low | 38.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 83% | 0.83 | S | S | * | * | trans | -49.5 | 152.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 253 | S | 35.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | -174.4 | 124.5 | 126.9 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 254 | G | 36.8 | Very low | 39.3 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | -89.9 | -151 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | P | 53.7 | Low | 39.5 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | -126.8 | -159.2 | -35.1 | 38.8 | -19.9 | 0 | 0 | 0 | 111.8 | ||||
| 256 | E | 40 | Very low | 39 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | 83.4 | 139.2 | 179.5 | -71.8 | -168.3 | 112.5 | 0 | 0 | 116.2 | ||||
| 257 | R | 42.9 | Very low | 39.1 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 74% | 0.743 | 84% | 0.842 | S | S | * | * | cis | -162.1 | 144 | 6.4 | -129.5 | -171.8 | -134 | 175.3 | 9.2 | 109.5 | ||||
| 258 | I | 41 | Very low | 39.1 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | 10.1 | 124.4 | 142.4 | -56 | 162.1 | 0 | 0 | 0 | 117.9 | ||||
| 259 | V | 45.5 | Very low | 39.3 | Very low | 212 Ų | 212 | 144.6 Ų | 144.6 | 100% | 1.285 | 85% | 0.846 | S | S | * | * | -146.2 | 0 | 111.1 | 177.1 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 259 of 259 residues in 45.7 ms
(Link to these results)