| 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 | 35.9 | Very low | 43.6 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 100% | 1.138 | 71% | 0.711 | S | S | * | * | 0 | 135.9 | 0 | -70.2 | -49.2 | 179.2 | 0 | 0 | 108.8 | |||||
| 2 | P | 41.9 | Very low | 42.7 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | -132 | 153.6 | -95.7 | 38.9 | -27.9 | 0 | 0 | 0 | 117.8 | |||||
| 3 | N | 37.8 | Very low | 42.2 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | 55 | 84.5 | 141.1 | -56.9 | -3.4 | 0 | 0 | 0 | 119.3 | ||||
| 4 | T | 48.4 | Very low | 41.6 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -102 | 121.2 | 153 | 42.4 | 0 | 0 | 0 | 0 | 110.4 | L6 | T4-L6 PolarHBondContact O-N 3.21Š| ||
| 5 | R | 42.4 | Very low | 41.5 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 75% | 0.751 | 73% | 0.733 | S | S | * | * | trans | -70.2 | 115.4 | -168.7 | -74.4 | 174.2 | 166.1 | 141.8 | -7.6 | 113.8 | D7 S8 | R5-D7 PolarHBondContact O-N 3.05Å; R5-S8 PolarHBondContact O-N 3.35Å; R5-S8 PolarHBondContact O-OG 2.71Å | ||
| 6 | L | 46.6 | Very low | 41.1 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 53% | 0.529 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -60.1 | -28.1 | 166.6 | -90.7 | 162.1 | 0 | 0 | 0 | 113 | T4 S8 F9 | T4-L6 PolarHBondContact O-N 3.21Å; L6-S8 PolarHBondContact O-N 3.05Å; L6-F9 PolarHBondContact O-N 2.72Å; L6-F9 VanDerWaalsContact O-N 3.13Å |
| 7 | D | 47.1 | Very low | 40.7 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -55.5 | -23.6 | 178.6 | -45 | -57.2 | 0 | 0 | 0 | 113.7 | R5 F9 F10 | R5-D7 PolarHBondContact O-N 3.05Å; D7-F9 PolarHBondContact O-N 2.69Å; D7-F10 PolarHBondContact O-N 3.44Å |
| 8 | S | 48.7 | Very low | 40.6 | Very low | 83 Ų | 83 | 145.9 Ų | 145.9 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -63.9 | -24.3 | 180 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | R5 L6 | R5-S8 PolarHBondContact O-N 3.35Å; R5-S8 PolarHBondContact O-OG 2.71Å; L6-S8 PolarHBondContact O-N 3.05Å |
| 9 | F | 50.7 | Low | 40.5 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 55% | 0.553 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -86.5 | -14.9 | -179.2 | -65.9 | -82.2 | 0 | 0 | 0 | 113.9 | L6 D7 | L6-F9 PolarHBondContact O-N 2.72Å; L6-F9 VanDerWaalsContact O-N 3.13Å; D7-F9 PolarHBondContact O-N 2.69Å |
| 10 | F | 40.5 | Very low | 40.5 | Very low | 90 Ų | 90 | 149.6 Ų | 149.6 | 40% | 0.395 | 75% | 0.752 | S | S | . | * | trans | -113.6 | 36 | -173.2 | -64.3 | -80.5 | 0 | 0 | 0 | 113.1 | D7 V12 P322 | D7-F10 PolarHBondContact O-N 3.44Å; F10-V12 PolarHBondContact O-N 3.42Å; F10-P322 HydrophobicContact CD1-CG 4.44Å; F10-P322 HydrophobicContact CE1-CB 4.29Å; F10-P322 HydrophobicContact CE1-CG 3.55Å; F10-P322 HydrophobicContact CE2-CG 4.1Å; F10-P322 HydrophobicContact CZ-CG 3.36Å | ||
| 11 | R | 39.3 | Very low | 40.4 | Very low | 229 Ų | 229 | 151.8 Ų | 151.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -72.1 | 99.9 | -177 | -158.7 | 175.1 | -162.3 | -176.5 | 5.5 | 112.4 | S13 | R11-S13 PolarHBondContact O-N 3.44Š| ||
| 12 | V | 32.9 | Very low | 40.7 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -65.6 | 116.3 | 170.4 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | F10 | F10-V12 PolarHBondContact O-N 3.42Š| ||
| 13 | S | 36.5 | Very low | 40.7 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -101.8 | 113.7 | 168.7 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | R11 | R11-S13 PolarHBondContact O-N 3.44Š| ||
| 14 | R | 33.9 | Very low | 41 | Very low | 236 Ų | 236 | 154.7 Ų | 154.7 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | -87.2 | 117 | 168.3 | -67.8 | 178.5 | 176.1 | -179.4 | -1.3 | 109.2 | ||||
| 15 | T | 40 | Very low | 40.6 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -147.3 | 153.3 | 168 | 24.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 16 | P | 35.6 | Very low | 40.5 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | -113.4 | 168.9 | -121.8 | 38 | -33.4 | 0 | 0 | 0 | 116 | |||||
| 17 | Q | 34.1 | Very low | 40.2 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -51.9 | 137.2 | 158.9 | -69 | 175.6 | -28.2 | 0 | 0 | 109.8 | ||||
| 18 | N | 38.3 | Very low | 39.8 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | trans | -136.6 | 113.1 | 171.4 | -147.9 | -26 | 0 | 0 | 0 | 110.3 | ||||
| 19 | V | 38.5 | Very low | 39.4 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -93.6 | 127.7 | -172.9 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | K21 | V19-K21 HydrophobicContact CG1-CB 4.47Å; V19-K21 HydrophobicContact CG1-CG 4.32Å | ||
| 20 | R | 41.4 | Very low | 38.9 | Very low | 252 Ų | 252 | 152.9 Ų | 152.9 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -107.7 | 97.3 | 163.1 | -80.5 | -173.5 | 168.4 | -178.7 | -3.7 | 110.5 | ||||
| 21 | K | 38.7 | Very low | 38.8 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -114.6 | 132.3 | 160 | -86.6 | -171.5 | 174.3 | -177.6 | 0 | 108.8 | V19 | V19-K21 HydrophobicContact CG1-CB 4.47Å; V19-K21 HydrophobicContact CG1-CG 4.32Å | ||
| 22 | A | 41.9 | Very low | 38.7 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -156.6 | 155.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | K | 42.2 | Very low | 38.8 | Very low | 200 Ų | 200 | 152.8 Ų | 152.8 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | cis | -167.2 | 97.4 | -33.6 | -178.8 | 178.8 | 177.8 | -178 | 0 | 107.8 | ||||
| 24 | R | 42.8 | Very low | 38.8 | Very low | 244 Ų | 244 | 156.5 Ų | 156.5 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -163.9 | 121.1 | 164.2 | -99.6 | 162.1 | -178.1 | 167.6 | -0.4 | 104.8 | ||||
| 25 | A | 40.9 | Very low | 39 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | cis | 72.1 | 124.2 | 43 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | V | 40 | Very low | 38.9 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | cis | -163.3 | 158.1 | -4.7 | 86.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | L | 39.9 | Very low | 39.2 | Very low | 144 Ų | 144 | 155.7 Ų | 155.7 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | 57.9 | 165.9 | 173.7 | -87.1 | 76 | 0 | 0 | 0 | 117.9 | ||||
| 28 | E | 38.4 | Very low | 39.9 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 71% | 0.71 | 81% | 0.809 | S | S | * | * | cis | -172.2 | 140.3 | -40.9 | 177.2 | 151.3 | -131.7 | 0 | 0 | 111.4 | ||||
| 29 | S | 40.2 | Very low | 41.2 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 60.2 | 164.3 | 175.1 | 78.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 30 | S | 40.4 | Very low | 42.6 | Very low | 112 Ų | 112 | 158 Ų | 158 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | cis | -146.1 | 165.6 | -34.6 | -120.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 31 | P | 38.5 | Very low | 44.1 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 146.4 | -160.6 | 35.1 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 32 | E | 37.5 | Very low | 45.5 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -149.5 | 169.1 | 146.1 | -132.4 | 167.9 | -131.9 | 0 | 0 | 112.8 | ||||
| 33 | T | 34.9 | Very low | 47.4 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 133.4 | -158.7 | -54.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 34 | E | 36.1 | Very low | 49.1 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -167.1 | 146 | 130.8 | -118.1 | -170.8 | -164.1 | 0 | 0 | 118.5 | ||||
| 35 | S | 39.5 | Very low | 50.6 | Low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | 52.8 | 130.5 | 145.7 | -151.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 36 | S | 36.2 | Very low | 52.3 | Low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -72 | 143.9 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 37 | R | 42.2 | Very low | 53.9 | Low | 247 Ų | 247 | 136 Ų | 136 | 93% | 0.932 | 71% | 0.707 | S | S | * | * | trans | -124.1 | 98 | 158.1 | -76.9 | -173 | 173.2 | -174.7 | -0.6 | 111.7 | ||||
| 38 | S | 50.2 | Low | 55.6 | Low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -69.4 | 145.4 | 168.8 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | R40 | S38-R40 PolarHBondContact O-N 2.83Š| ||
| 39 | K | 64 | Low | 57.1 | Low | 208 Ų | 208 | 134 Ų | 134 | 90% | 0.904 | 70% | 0.697 | S | S | * | * | trans | -77.5 | 110.9 | -177.5 | -67 | 174 | -178.1 | 171.5 | 0 | 109.8 | ||||
| 40 | R | 69.7 | Low | 58.2 | Low | 188 Ų | 188 | 133.9 Ų | 133.9 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | trans | -59.4 | 140.5 | 177.2 | -70.6 | -176.8 | 179.3 | -173.5 | 0.6 | 111.6 | S38 | S38-R40 PolarHBondContact O-N 2.83Š| ||
| 41 | P | 71.4 | Confident | 58.8 | Low | 73 Ų | 73 | 136.8 Ų | 136.8 | 47% | 0.474 | 69% | 0.69 | S | S | . | * | trans | -59.5 | 156.2 | 178.9 | -25.2 | 35.1 | 0 | 0 | 0 | 114 | Y43 Q44 | P41-Y43 VanDerWaalsContact C-N 3.31Å; P41-Y43 HydrophobicContact CB-CD1 3.85Å; P41-Y43 HydrophobicContact CB-CE1 3.8Å; P41-Y43 HydrophobicContact CG-CE1 4.25Å; P41-Y43 PolarHBondContact O-N 3.4Å; P41-Q44 PolarHBondContact O-N 3.46Å; P41-Q44 VanDerWaalsContact O-N 3.11Å | ||
| 42 | A | 69.1 | Low | 59.2 | Low | 64 Ų | 64 | 137 Ų | 137 | 53% | 0.529 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -56.2 | -37.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q44 R45 F46 | A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.9Å; A42-R45 WeakPolarHBondContact O-CB 3.33Å; A42-R45 PolarHBondContact O-N 3.25Å; A42-F46 VanDerWaalsContact O-CD2 3.29Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.04Å |
| 43 | Y | 81.9 | Confident | 59.5 | Low | 166 Ų | 166 | 133.4 Ų | 133.4 | 65% | 0.651 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62 | -33.3 | -179.4 | 78.2 | -87.1 | 0 | 0 | 0 | 113 | P41 R45 F46 S47 | P41-Y43 VanDerWaalsContact C-N 3.31Å; P41-Y43 HydrophobicContact CB-CD1 3.85Å; P41-Y43 HydrophobicContact CB-CE1 3.8Å; P41-Y43 HydrophobicContact CG-CE1 4.25Å; P41-Y43 PolarHBondContact O-N 3.4Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 2.99Å; Y43-F46 PolarHBondContact O-N 3.31Å; Y43-S47 PolarHBondContact O-N 2.84Å |
| 44 | Q | 78.1 | Confident | 59.8 | Low | 85 Ų | 85 | 136.2 Ų | 136.2 | 40% | 0.397 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -76 | -13.9 | 173.8 | -69.9 | -172.5 | -18.3 | 0 | 0 | 113.5 | P41 A42 | P41-Q44 PolarHBondContact O-N 3.46Å; P41-Q44 VanDerWaalsContact O-N 3.11Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 2.9Å |
| 45 | R | 73.6 | Confident | 60.1 | Low | 174 Ų | 174 | 136.4 Ų | 136.4 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.6 | -17.4 | 174.7 | -69.4 | -174.9 | 63.8 | -177.4 | -1.7 | 113.2 | A42 Y43 H48 | A42-R45 WeakPolarHBondContact O-CB 3.33Å; A42-R45 PolarHBondContact O-N 3.25Å; Y43-R45 VanDerWaalsContact C-N 3.29Å; Y43-R45 PolarHBondContact O-N 2.99Å; R45-H48 PolarHBondContact O-CE1 3.36Å |
| 46 | F | 76.3 | Confident | 60.3 | Low | 117 Ų | 117 | 136.9 Ų | 136.9 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -124 | 4.3 | -173.3 | -61.4 | -63.9 | 0 | 0 | 0 | 114.5 | A42 Y43 H48 L49 | A42-F46 VanDerWaalsContact O-CD2 3.29Å; A42-F46 WeakPolarHBondContact O-CD2 3.38Å; A42-F46 PolarHBondContact O-N 3.04Å; Y43-F46 PolarHBondContact O-N 3.31Å; F46-H48 PolarHBondContact O-N 3.45Å; F46-L49 HydrophobicContact CB-CD1 4.4Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 WeakPolarHBondContact O-CB 3.06Å; F46-L49 PolarHBondContact O-N 3.49Å |
| 47 | S | 74.1 | Confident | 60.4 | Low | 69 Ų | 69 | 138 Ų | 138 | 48% | 0.483 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -2.6 | -178.6 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | Y43 | Y43-S47 PolarHBondContact O-N 2.84Š|
| 48 | H | 75.9 | Confident | 60.6 | Low | 132 Ų | 132 | 131.4 Ų | 131.4 | 61% | 0.611 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -14.9 | 170.9 | 56.7 | -96.1 | 0 | 0 | 0 | 112.9 | R45 F46 T50 | R45-H48 PolarHBondContact O-CE1 3.36Å; F46-H48 PolarHBondContact O-N 3.45Å; H48-T50 VanDerWaalsContact C-N 3.31Å |
| 49 | L | 69.3 | Low | 60 | Low | 123 Ų | 123 | 135.1 Ų | 135.1 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88 | 4 | 178.3 | -58.9 | 177 | 0 | 0 | 0 | 113.2 | F46 | F46-L49 HydrophobicContact CB-CD1 4.4Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 WeakPolarHBondContact O-CB 3.06Å; F46-L49 PolarHBondContact O-N 3.49Å |
| 50 | T | 64.1 | Low | 58.8 | Low | 111 Ų | 111 | 129.2 Ų | 129.2 | 68% | 0.681 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -132.5 | 30.7 | -170.9 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | H48 | H48-T50 VanDerWaalsContact C-N 3.31Š|
| 51 | K | 52.2 | Low | 57.4 | Low | 173 Ų | 173 | 128.7 Ų | 128.7 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | -120.6 | 124.8 | 169.3 | -75.3 | -166.3 | 171.5 | -165.5 | 0 | 109.3 | ||||
| 52 | P | 47.2 | Very low | 55.7 | Low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -63.5 | 140.5 | 160.9 | -15.5 | 30.5 | 0 | 0 | 0 | 109.4 | ||||
| 53 | T | 43.1 | Very low | 54.3 | Low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | -85.9 | 115.2 | 164.3 | -56.1 | 0 | 0 | 0 | 0 | 107.7 | E55 | T53-E55 HydrophobicContact CG2-CB 4.35Š| ||
| 54 | E | 41.6 | Very low | 52.2 | Low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -87.8 | 127.1 | 159.5 | -68 | 178.3 | 174.1 | 0 | 0 | 107.3 | ||||
| 55 | E | 42.9 | Very low | 50.4 | Low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -138.1 | 144.3 | 176.1 | -159.3 | 158.3 | -126.1 | 0 | 0 | 108.7 | T53 | T53-E55 HydrophobicContact CG2-CB 4.35Š| ||
| 56 | S | 43.8 | Very low | 48.8 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -94.7 | 142.2 | -152.7 | 51 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 57 | T | 37.1 | Very low | 46.9 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | -75.1 | 177.9 | 160.4 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 58 | P | 46.7 | Very low | 45.3 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -143.5 | -153.7 | 18.9 | 39.1 | -14.2 | 0 | 0 | 0 | 116.2 | ||||
| 59 | E | 38.2 | Very low | 43.6 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | 83.4 | 140 | 171.3 | -56.4 | -173.8 | 172.7 | 0 | 0 | 117.6 | ||||
| 60 | A | 39.2 | Very low | 42.2 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | cis | -162.9 | 174.2 | -22.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | E | 39.3 | Very low | 41.1 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 65 | 106.8 | 165.8 | -53.1 | -164.8 | 156.7 | 0 | 0 | 117.5 | ||||
| 62 | T | 36.1 | Very low | 40.7 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | 60.3 | 132.2 | 79.9 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 63 | V | 39.7 | Very low | 40.4 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | -158.6 | 144.7 | 56.7 | 167.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 64 | K | 37.8 | Very low | 40.3 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -5.7 | 160.8 | 145.7 | -67.9 | 171.2 | -177 | 176.2 | 0 | 120.3 | ||||
| 65 | S | 39.4 | Very low | 40.2 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | cis | -177 | -174.4 | -6.1 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 66 | N | 40 | Very low | 40 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 87.8 | 152.1 | 160 | -51.2 | -11.6 | 0 | 0 | 0 | 118.3 | ||||
| 67 | D | 37.2 | Very low | 39.6 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -169.6 | -178 | -35 | -157.1 | -12.1 | 0 | 0 | 0 | 109.7 | ||||
| 68 | V | 41.4 | Very low | 39.6 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 91.2 | 91.7 | 159.2 | -161.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 69 | K | 38.6 | Very low | 39 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 14.7 | 136 | 132.7 | -62.4 | 176.1 | 176.3 | 176.8 | 0 | 122.7 | ||||
| 70 | S | 40.4 | Very low | 38.6 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 177.4 | 101.5 | 111.6 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 71 | D | 40.6 | Very low | 38.4 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | 69.1 | 103 | 77 | -170.7 | 24.4 | 0 | 0 | 0 | 115.9 | |||||
| 72 | R | 45 | Very low | 38.1 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | -167.2 | 161.9 | 129.3 | -108.1 | 174.4 | -177.8 | -173.6 | -0 | 112.4 | |||||
| 73 | Q | 40.4 | Very low | 38.1 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -113.8 | 147.4 | -161.5 | -55 | 157.8 | -41.9 | 0 | 0 | 113.2 | ||||
| 74 | S | 41.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | -169 | 152.8 | 127.9 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 75 | E | 38.6 | Very low | 38.4 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -53.1 | 159.8 | -173.3 | -63.1 | 157.1 | 156.2 | 0 | 0 | 114.3 | ||||
| 76 | I | 38.9 | Very low | 38.8 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | -146.9 | 143.1 | 51.4 | -75.6 | 166.3 | 0 | 0 | 0 | 112.6 | |||||
| 77 | L | 35.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 159.6 | 173.2 | -64.9 | 167.7 | 0 | 0 | 0 | 110.5 | ||||
| 78 | I | 37.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | -157.9 | 147.5 | 65.6 | -80 | 168.4 | 0 | 0 | 0 | 110.6 | |||||
| 79 | S | 34.5 | Very low | 38.4 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -75.6 | 158.7 | -171.7 | -45.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 80 | S | 30.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -60 | 142.5 | 156.2 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | S | 35.2 | Very low | 38 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -150.6 | 151.2 | 169.8 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | L | 32.7 | Very low | 37.9 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -85 | 146.3 | 179.4 | -81.2 | 59 | 0 | 0 | 0 | 110.6 | ||||
| 83 | C | 34.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -119.1 | 119.6 | 165.2 | -76.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 84 | P | 41.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 164.6 | 171.1 | 34.8 | -34.2 | 0 | 0 | 0 | 112 | ||
| 85 | P | 42.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 148.7 | -179.8 | 32.7 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 86 | P | 48.7 | Very low | 36.8 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 136.4 | 174.7 | 30.2 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 87 | Q | 35.6 | Very low | 36.4 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -104.6 | 130 | 160.7 | -65.3 | -175.1 | 20.4 | 0 | 0 | 108.6 | K89 | Q87-K89 VanDerWaalsContact OE1-CE 3.25Š| ||
| 88 | E | 38.2 | Very low | 36.5 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -129 | 134.3 | 162.7 | -166.4 | 164.1 | -146.5 | 0 | 0 | 109.4 | ||||
| 89 | K | 35.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | trans | -131.2 | 101.1 | -171.1 | -69 | 172.6 | -173.7 | 155.2 | 0 | 109.9 | Q87 | Q87-K89 VanDerWaalsContact OE1-CE 3.25Š| ||
| 90 | T | 35.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -101.4 | 97.7 | 171.2 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 91 | I | 35.3 | Very low | 36.9 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 67% | 0.672 | 80% | 0.797 | S | S | * | * | trans | -89.7 | 122.7 | 177.1 | -60.8 | 173.1 | 0 | 0 | 0 | 108.9 | ||||
| 92 | I | 38.2 | Very low | 37 | Very low | 142 Ų | 142 | 158 Ų | 158 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | trans | -116.3 | 105.5 | 166.7 | -60.5 | -179 | 0 | 0 | 0 | 108.7 | ||||
| 93 | H | 32.6 | Very low | 36.8 | Very low | 159 Ų | 159 | 156.1 Ų | 156.1 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -80.5 | 130.5 | 171.5 | -85.8 | -79.8 | 0 | 0 | 0 | 110.9 | ||||
| 94 | L | 38.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -141.6 | 93 | 160.2 | -108.8 | 159.5 | 0 | 0 | 0 | 111 | ||||
| 95 | K | 34.5 | Very low | 36.3 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -73.7 | 130 | 167.6 | -76.9 | 175.6 | 175.3 | 170.7 | 0 | 109.6 | ||||
| 96 | K | 36.2 | Very low | 35.9 | Very low | 216 Ų | 216 | 162.9 Ų | 162.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -154.1 | 154.8 | 135.7 | -116.3 | 163.9 | -174.3 | 174.7 | 0 | 112.2 | ||||
| 97 | R | 31.2 | Very low | 35.2 | Very low | 219 Ų | 219 | 165.8 Ų | 165.8 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -135.2 | 122.5 | -162.7 | 160.7 | -168.3 | 171.7 | -169.8 | -0.4 | 108.2 | ||||
| 98 | T | 36.7 | Very low | 34.9 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -147.2 | 154 | 169 | -23.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 99 | Q | 40.3 | Very low | 34.8 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -88.6 | 156.3 | -165.1 | -61.9 | -73.7 | 22.3 | 0 | 0 | 113.8 | ||||
| 100 | P | 32.8 | Very low | 34.8 | Very low | 117 Ų | 117 | 162.5 Ų | 162.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -74 | 154.2 | 169.3 | 32.3 | -35.5 | 0 | 0 | 0 | 112.4 | ||||
| 101 | K | 38.2 | Very low | 34.8 | Very low | 216 Ų | 216 | 162.3 Ų | 162.3 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -123.7 | 155 | 168.7 | -94.3 | -172.1 | 174.4 | -177.6 | 0 | 111.9 | ||||
| 102 | K | 36.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 161.5 Ų | 161.5 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -81.8 | 144 | -168.1 | -71.7 | 179.9 | 175.7 | 178.1 | 0 | 114 | ||||
| 103 | V | 30.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 162.6 Ų | 162.6 | 76% | 0.758 | 83% | 0.834 | S | S | * | * | 34 | 125.2 | 127.3 | -172.1 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 104 | T | 34.8 | Very low | 34.9 | Very low | 135 Ų | 135 | 162.8 Ų | 162.8 | 83% | 0.828 | 84% | 0.84 | S | S | * | * | trans | -149.4 | 150.9 | 130.4 | -73.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | K | 29.8 | Very low | 35 | Very low | 195 Ų | 195 | 162.7 Ų | 162.7 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | trans | -130.7 | 130.8 | -170 | -179.7 | -176 | -176 | -179.6 | 0 | 108.6 | ||||
| 106 | L | 34.5 | Very low | 35.1 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | trans | -126 | 146.4 | 178 | -89.6 | 167.5 | 0 | 0 | 0 | 112.8 | ||||
| 107 | K | 34.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -77.7 | 137.9 | 175.4 | -88.5 | -174 | 172.7 | -178.5 | 0 | 109.3 | ||||
| 108 | S | 29.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | 71.2 | 109.3 | 64.6 | 90.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 109 | S | 35.7 | Very low | 35.7 | Very low | 126 Ų | 126 | 152.4 Ų | 152.4 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 143.6 | 154.6 | 47.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 110 | Q | 34.2 | Very low | 35.9 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -100.6 | 151 | 173.7 | -68.2 | 169.7 | -50.7 | 0 | 0 | 109.3 | ||||
| 111 | S | 36.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -142.9 | 125.9 | 158.8 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 112 | S | 33.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -109.7 | 129.6 | -176.4 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | D | 40.5 | Very low | 39.9 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -123.4 | 135.2 | 165.7 | -78.6 | -60.4 | 0 | 0 | 0 | 110.2 | ||||
| 114 | L | 34.8 | Very low | 41.3 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -100.8 | 143.7 | 169.1 | -71.8 | 160.8 | 0 | 0 | 0 | 107.8 | ||||
| 115 | I | 38.5 | Very low | 43.3 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -173 | 148.1 | 137.8 | -100.8 | 152.5 | 0 | 0 | 0 | 112.5 | ||||
| 116 | K | 37.6 | Very low | 45.4 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -29.5 | 162.3 | 161.3 | -66.6 | 161.9 | 160.6 | -99.9 | 0 | 116.3 | ||||
| 117 | E | 37.7 | Very low | 47 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 58% | 0.575 | 73% | 0.732 | S | S | * | * | cis | -163.9 | 173.6 | 2.3 | -123 | 165.8 | -127 | 0 | 0 | 112.4 | ||||
| 118 | N | 35.8 | Very low | 48.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | 41.8 | 107.4 | 147.7 | -56 | -25.4 | 0 | 0 | 0 | 121.1 | ||||
| 119 | S | 43.6 | Very low | 50.5 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 90% | 0.895 | 71% | 0.707 | S | S | * | * | -166.2 | 155.3 | 113.7 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 120 | S | 44.2 | Very low | 52.1 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -89.9 | 115.3 | -165.7 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 121 | K | 61.8 | Low | 53.4 | Low | 172 Ų | 172 | 126.4 Ų | 126.4 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | trans | -156.1 | 129.4 | 150.2 | -94.5 | 124.7 | -171.9 | 173.6 | 0 | 109.2 | ||||
| 122 | P | 65.8 | Low | 54.4 | Low | 74 Ų | 74 | 125 Ų | 125 | 48% | 0.481 | 68% | 0.676 | S | S | . | * | trans | -68.5 | 149.5 | 173.9 | 28.9 | -34.1 | 0 | 0 | 0 | 110.9 | K126 R127 | P122-K126 HydrophobicContact CB-CB 4.33Å; P122-R127 HydrophobicContact CG-CG 4.09Å | ||
| 123 | P | 64 | Low | 55.2 | Low | 82 Ų | 82 | 126.6 Ų | 126.6 | 53% | 0.532 | 67% | 0.67 | S | S | . | * | trans | -56.8 | 150.7 | 177.9 | -25.8 | 34.8 | 0 | 0 | 0 | 112.9 | F125 K126 | P123-F125 HydrophobicContact CB-CD1 3.85Å; P123-F125 HydrophobicContact CB-CE1 3.79Å; P123-F125 HydrophobicContact CG-CE1 4.29Å; P123-F125 PolarHBondContact O-N 3.42Å; P123-K126 PolarHBondContact O-N 3.22Å | ||
| 124 | A | 59.7 | Low | 55.5 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 50% | 0.496 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -52.5 | -36 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K126 R127 F128 | A124-K126 VanDerWaalsContact C-N 3.27Å; A124-K126 PolarHBondContact O-N 2.94Å; A124-R127 WeakPolarHBondContact O-CA 3.27Å; A124-R127 WeakPolarHBondContact O-CB 3.49Å; A124-R127 PolarHBondContact O-N 3.31Å; A124-F128 HydrophobicContact CB-CD2 4.47Å; A124-F128 HydrophobicContact CB-CE2 4.39Å; A124-F128 VanDerWaalsContact O-CD2 3.29Å; A124-F128 WeakPolarHBondContact O-CD2 3.34Å; A124-F128 PolarHBondContact O-N 2.83Å |
| 125 | F | 76.5 | Confident | 55.8 | Low | 153 Ų | 153 | 123.4 Ų | 123.4 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.5 | -33.8 | 179.4 | 78 | -90.4 | 0 | 0 | 0 | 113.4 | P123 R127 A129 | P123-F125 HydrophobicContact CB-CD1 3.85Å; P123-F125 HydrophobicContact CB-CE1 3.79Å; P123-F125 HydrophobicContact CG-CE1 4.29Å; P123-F125 PolarHBondContact O-N 3.42Å; F125-R127 VanDerWaalsContact C-N 3.34Å; F125-A129 PolarHBondContact O-N 3.45Å |
| 126 | K | 73.4 | Confident | 55.9 | Low | 150 Ų | 150 | 120.4 Ų | 120.4 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.7 | -20.2 | 173.4 | -74.9 | -163.5 | 173.3 | -171.8 | 0 | 113.3 | P122 P123 A124 | P122-K126 HydrophobicContact CB-CB 4.33Å; P123-K126 PolarHBondContact O-N 3.22Å; A124-K126 VanDerWaalsContact C-N 3.27Å; A124-K126 PolarHBondContact O-N 2.94Å |
| 127 | R | 68.2 | Low | 55.8 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -82.2 | -20.1 | 179.4 | -59.9 | -175.1 | 75 | -175.4 | 1 | 113 | P122 A124 F125 H130 | P122-R127 HydrophobicContact CG-CG 4.09Å; A124-R127 WeakPolarHBondContact O-CA 3.27Å; A124-R127 WeakPolarHBondContact O-CB 3.49Å; A124-R127 PolarHBondContact O-N 3.31Å; F125-R127 VanDerWaalsContact C-N 3.34Å; R127-H130 PolarHBondContact O-CE1 3.41Å; R127-H130 PolarHBondContact O-ND1 2.94Å |
| 128 | F | 69.8 | Low | 55.8 | Low | 123 Ų | 123 | 120.2 Ų | 120.2 | 54% | 0.539 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -119.5 | 8.3 | -174.9 | -60.9 | -62.8 | 0 | 0 | 0 | 114.9 | A124 H130 L131 | A124-F128 HydrophobicContact CB-CD2 4.47Å; A124-F128 HydrophobicContact CB-CE2 4.39Å; A124-F128 VanDerWaalsContact O-CD2 3.29Å; A124-F128 WeakPolarHBondContact O-CD2 3.34Å; A124-F128 PolarHBondContact O-N 2.83Å; F128-H130 PolarHBondContact O-N 2.93Å; F128-H130 VanDerWaalsContact O-N 3.17Å; F128-L131 HydrophobicContact CB-CD1 4.34Å; F128-L131 HydrophobicContact CD1-CD1 3.87Å; F128-L131 WeakPolarHBondContact O-CB 3.4Å; F128-L131 PolarHBondContact O-N 3.41Å |
| 129 | A | 68.6 | Low | 55.6 | Low | 58 Ų | 58 | 123.3 Ų | 123.3 | 48% | 0.479 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -54.4 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F125 L131 A132 | F125-A129 PolarHBondContact O-N 3.45Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-L131 VanDerWaalsContact O-N 3.1Å; A129-A132 PolarHBondContact O-N 3.06Å; A129-A132 VanDerWaalsContact O-N 3.09Å |
| 130 | H | 68.4 | Low | 55.2 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -65 | -8.6 | 177.3 | 64.8 | -97.1 | 0 | 0 | 0 | 114.9 | R127 F128 | R127-H130 PolarHBondContact O-CE1 3.41Å; R127-H130 PolarHBondContact O-ND1 2.94Å; F128-H130 PolarHBondContact O-N 2.93Å; F128-H130 VanDerWaalsContact O-N 3.17Å |
| 131 | L | 61.2 | Low | 54.7 | Low | 128 Ų | 128 | 126 Ų | 126 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -94.1 | -1.2 | 175.1 | -58.6 | 178.8 | 0 | 0 | 0 | 113.1 | F128 A129 | F128-L131 HydrophobicContact CB-CD1 4.34Å; F128-L131 HydrophobicContact CD1-CD1 3.87Å; F128-L131 WeakPolarHBondContact O-CB 3.4Å; F128-L131 PolarHBondContact O-N 3.41Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-L131 VanDerWaalsContact O-N 3.1Å |
| 132 | A | 57.9 | Low | 53.7 | Low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -108.2 | -5.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A129 | A129-A132 PolarHBondContact O-N 3.06Å; A129-A132 VanDerWaalsContact O-N 3.09Å |
| 133 | E | 50.4 | Low | 52.4 | Low | 148 Ų | 148 | 129 Ų | 129 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -94.2 | 134.9 | -179.6 | -66.5 | -175.2 | 167.2 | 0 | 0 | 111.6 | V135 | E133-V135 PolarHBondContact O-N 3.45Š|
| 134 | P | 48.4 | Very low | 51.2 | Low | 119 Ų | 119 | 133.1 Ų | 133.1 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -74.9 | 108.2 | 178.8 | 29.6 | -32.9 | 0 | 0 | 0 | 110.4 | S136 | P134-S136 PolarHBondContact O-N 2.86Š| ||
| 135 | V | 40 | Very low | 50.1 | Low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | -60.8 | 103 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | E133 | E133-V135 PolarHBondContact O-N 3.45Š| ||
| 136 | S | 41.4 | Very low | 48 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | -108.4 | 140.5 | 161 | -67.6 | 0 | 0 | 0 | 0 | 109.1 | P134 | P134-S136 PolarHBondContact O-N 2.86Š| ||
| 137 | S | 35 | Very low | 46 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 53.7 | 111.3 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 138 | L | 38.4 | Very low | 44.3 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | -170.7 | 135.9 | 119.9 | -99.3 | 167.3 | 0 | 0 | 0 | 109.8 | |||||
| 139 | K | 30.1 | Very low | 42.9 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 142.6 | 170.8 | -80.3 | -175.5 | 174.5 | -177.7 | 0 | 109.9 | ||
| 140 | P | 36.6 | Very low | 41 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 157.4 | 143.1 | -10.7 | 29.7 | 0 | 0 | 0 | 111.6 | ||
| 141 | Q | 32.5 | Very low | 39.3 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 152.8 | 174.4 | -66.7 | 168.6 | -45 | 0 | 0 | 111.2 | ||
| 142 | L | 40.4 | Very low | 38 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -149.5 | 152.7 | 148.1 | -114.2 | 163.3 | 0 | 0 | 0 | 107.5 | ||||
| 143 | I | 39.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | trans | -130.9 | 154.7 | -150.9 | -39.1 | -180 | 0 | 0 | 0 | 111.1 | ||||
| 144 | E | 39.6 | Very low | 36.1 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 90.7 | 146.6 | 161.5 | -62 | -159.2 | -171.4 | 0 | 0 | 119.7 | ||||
| 145 | P | 36.3 | Very low | 35.5 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -128 | 177.6 | -28.4 | 31.7 | -13 | 0 | 0 | 0 | 113.4 | ||||
| 146 | E | 31.4 | Very low | 35.2 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -89.6 | 144.4 | -169.7 | -53.6 | -173 | 156.9 | 0 | 0 | 114.4 | ||||
| 147 | T | 32.1 | Very low | 34.9 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -139.1 | 132.8 | 142.4 | -52.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 148 | S | 32.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 146.9 | -167.2 | -37.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 149 | I | 38.8 | Very low | 34.9 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | trans | -155 | 137.5 | 133.1 | -100 | 150.1 | 0 | 0 | 0 | 108.2 | ||||
| 150 | E | 29.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | -98.2 | 125.3 | -170.6 | -180 | 178.5 | -168.2 | 0 | 0 | 111.8 | Q152 | E150-Q152 HydrophobicContact CG-CG 4.34Å; E150-Q152 PolarHBondContact OE1-NE2 2.84Å | ||
| 151 | T | 33.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -143.3 | 105.1 | 157.8 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 152 | Q | 33.9 | Very low | 36 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | trans | -79.8 | 128.8 | 177.4 | -55.4 | -177.9 | 24 | 0 | 0 | 110.5 | E150 | E150-Q152 HydrophobicContact CG-CG 4.34Å; E150-Q152 PolarHBondContact OE1-NE2 2.84Å | ||
| 153 | S | 34.6 | Very low | 35.9 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -134 | 84.6 | 173.4 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | V | 33.5 | Very low | 35.8 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | -102.5 | 85.1 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | S156 | V154-S156 PolarHBondContact O-N 3.5Š| ||
| 155 | V | 35.4 | Very low | 35.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | trans | -82.4 | 96.2 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 109 | S157 | V155-S157 PolarHBondContact O-N 3.47Š| ||
| 156 | S | 33 | Very low | 36 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | -69.9 | 108.3 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.1 | V154 K158 | V154-S156 PolarHBondContact O-N 3.5Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.26Å | ||
| 157 | S | 35.1 | Very low | 37 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | trans | -76.8 | 73.1 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | V155 | V155-S157 PolarHBondContact O-N 3.47Š| ||
| 158 | K | 37 | Very low | 38.3 | Very low | 169 Ų | 169 | 120.2 Ų | 120.2 | 74% | 0.735 | 68% | 0.68 | S | S | * | * | trans | -136 | 161.4 | 167.9 | -67.7 | -172.5 | 178.7 | 178.2 | 0 | 110.8 | S156 | S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 3.26Å | ||
| 159 | D | 37.5 | Very low | 39.7 | Very low | 158 Ų | 158 | 116.3 Ų | 116.3 | 85% | 0.845 | 65% | 0.652 | S | S | * | * | trans | 64.8 | 66.5 | 169.7 | -48.7 | -20.3 | 0 | 0 | 0 | 117 | ||||
| 160 | L | 44.8 | Very low | 40.8 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 72% | 0.723 | 62% | 0.618 | S | S | * | * | trans | -124.2 | 60.3 | 158.4 | -164.2 | 74.5 | 0 | 0 | 0 | 111.2 | L162 P233 | L160-L162 HydrophobicContact CD2-CD1 4.04Å; L160-L162 HydrophobicContact CG-CD1 4.11Å; L160-L162 HydrophobicContact CG-CG 4.48Å; L160-L162 PolarHBondContact O-N 3.48Å; L160-P233 HydrophobicContact CD2-CG 4.44Å | ||
| 161 | D | 36.8 | Very low | 42.4 | Very low | 139 Ų | 139 | 108.5 Ų | 108.5 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -74.9 | 89.3 | -176.7 | -148.3 | -12.2 | 0 | 0 | 0 | 111.1 | T163 | D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.36Å | ||
| 162 | L | 40.7 | Very low | 44.5 | Very low | 59 Ų | 59 | 105.4 Ų | 105.4 | 31% | 0.309 | 62% | 0.616 | S | S | . | * | trans | -91.7 | 39.3 | -169.5 | -109.1 | 169.1 | 0 | 0 | 0 | 113.3 | L160 P233 | L160-L162 HydrophobicContact CD2-CD1 4.04Å; L160-L162 HydrophobicContact CG-CD1 4.11Å; L160-L162 HydrophobicContact CG-CG 4.48Å; L160-L162 PolarHBondContact O-N 3.48Å; L162-P233 HydrophobicContact CD1-CG 4.19Å | ||
| 163 | T | 37.3 | Very low | 47 | Very low | 99 Ų | 99 | 98.6 Ų | 98.6 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -94.4 | 116.6 | 179.8 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | D161 T165 | D161-T163 VanDerWaalsContact C-N 3.29Å; D161-T163 PolarHBondContact O-N 3.36Å; T163-T165 PolarHBondContact O-N 2.87Å; T163-T165 VanDerWaalsContact O-N 3.11Å |
| 164 | Q | 37.7 | Very low | 49.6 | Very low | 149 Ų | 149 | 97.9 Ų | 97.9 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | trans | 32.6 | 63 | 160.4 | -160.4 | -175.3 | -34.9 | 0 | 0 | 118 | D166 | Q164-D166 PolarHBondContact O-N 2.88Å; Q164-D166 VanDerWaalsContact O-N 3.1Å | ||
| 165 | T | 36.4 | Very low | 52.3 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | trans | -78.7 | 97.1 | 168.3 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | T163 S167 R293 | T163-T165 PolarHBondContact O-N 2.87Å; T163-T165 VanDerWaalsContact O-N 3.11Å; T165-S167 PolarHBondContact O-N 3.18Å; T165-R293 PolarHBondContact O-NH1 2.96Å; T165-R293 VanDerWaalsContact OG1-CZ 3.3Å; T165-R293 PolarHBondContact OG1-NH1 2.7Å; T165-R293 PolarHBondContact OG1-NH2 3.23Å | ||
| 166 | D | 44.8 | Very low | 55.1 | Low | 94 Ų | 94 | 86.2 Ų | 86.2 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | trans | -75.3 | 23 | 164.6 | -104.1 | -50.8 | 0 | 0 | 0 | 112.2 | Q164 K269 | Q164-D166 PolarHBondContact O-N 2.88Å; Q164-D166 VanDerWaalsContact O-N 3.1Å; D166-K269 WeakPolarHBondContact OD1-CE 3.32Å; D166-K269 IonicContact OD1-NZ 3.28Å; D166-K269 PolarHBondContact OD1-NZ 2.95Å; D166-K269 WeakPolarHBondContact OD2-CE 3.38Å; D166-K269 IonicContact OD2-NZ 3.36Å; D166-K269 PolarHBondContact OD2-NZ 2.78Å | ||
| 167 | S | 52.4 | Low | 57.8 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | trans | -73.2 | 133.6 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | T165 V169 | T165-S167 PolarHBondContact O-N 3.18Å; S167-V169 VanDerWaalsContact C-N 3.32Å; S167-V169 PolarHBondContact O-N 3.46Å | ||
| 168 | T | 58.9 | Low | 60.5 | Low | 115 Ų | 115 | 82.5 Ų | 82.5 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | trans | -79.5 | 73.8 | -175.4 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 169 | V | 61.4 | Low | 63.3 | Low | 18 Ų | 18 | 74.6 Ų | 74.6 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | trans | -63 | 129.2 | 176.4 | 179 | 0 | 0 | 0 | 0 | 110.5 | S167 T171 I299 | S167-V169 VanDerWaalsContact C-N 3.32Å; S167-V169 PolarHBondContact O-N 3.46Å; V169-T171 PolarHBondContact O-N 3.15Å; V169-I299 HydrophobicContact CG1-CB 3.89Å; V169-I299 HydrophobicContact CG1-CG2 3.46Å; V169-I299 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 170 | P | 63.1 | Low | 65.9 | Low | 24 Ų | 24 | 72.2 Ų | 72.2 | 16% | 0.156 | 41% | 0.41 | C | S | . | . | trans | -61.6 | 107.9 | -178.5 | -27 | 36.5 | 0 | 0 | 0 | 113.8 | G172 L173 D324 L327 | P170-G172 PolarHBondContact O-N 2.91Å; P170-L173 HydrophobicContact CB-CD1 4.07Å; P170-L173 HydrophobicContact CB-CG 4.24Å; P170-L173 HydrophobicContact CG-CD1 4.46Å; P170-D324 WeakPolarHBondContact CG-O 3.28Å; P170-L327 VanDerWaalsContact CB-O 3.26Å; P170-L327 WeakPolarHBondContact CB-O 3.17Å; P170-L327 VanDerWaalsContact CG-O 3.31Å; P170-L327 WeakPolarHBondContact CG-O 3.48Å | ||
| 171 | T | 63.3 | Low | 68.2 | Low | 128 Ų | 128 | 66.9 Ų | 66.9 | 79% | 0.785 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 9.2 | -176.5 | 63.3 | 0 | 0 | 0 | 0 | 115 | V169 | V169-T171 PolarHBondContact O-N 3.15Š|
| 172 | G | 77.4 | Confident | 71.1 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 0.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P170 | P170-G172 PolarHBondContact O-N 2.91Š|
| 173 | L | 86.2 | Confident | 73.7 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -78.9 | 137.9 | 178 | -70.4 | 171.7 | 0 | 0 | 0 | 110.9 | P170 I299 L303 L327 W330 | P170-L173 HydrophobicContact CB-CD1 4.07Å; P170-L173 HydrophobicContact CB-CG 4.24Å; P170-L173 HydrophobicContact CG-CD1 4.46Å; L173-I299 HydrophobicContact CB-CD1 3.87Å; L173-I299 HydrophobicContact CD1-CG2 4.04Å; L173-L303 HydrophobicContact CD1-CD2 4.41Å; L173-L327 HydrophobicContact CD1-CD2 4.3Å; L173-L327 HydrophobicContact CD2-CD2 4.44Å; L173-L327 HydrophobicContact CD2-CG 4.39Å; L173-W330 HydrophobicContact CB-CZ2 3.87Å; L173-W330 HydrophobicContact CD1-CH2 3.92Å; L173-W330 HydrophobicContact CD1-CZ2 4.04Å; L173-W330 HydrophobicContact CD1-CZ3 4.4Å; L173-W330 HydrophobicContact CD2-CD2 4.19Å; L173-W330 HydrophobicContact CD2-CZ2 4.32Å; L173-W330 HydrophobicContact CG-CZ2 4.3Å |
| 174 | V | 89.2 | Confident | 76.4 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 126.3 | -178.7 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | W330 L336 | V174-W330 PolarHBondContact O-NE1 3.03Å; V174-L336 HydrophobicContact CB-CD2 4.46Å; V174-L336 HydrophobicContact CG1-CD2 4.23Å |
| 175 | L | 91 | Very high | 79.3 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 147.6 | 172.2 | -79.2 | 169.5 | 0 | 0 | 0 | 111.7 | L179 R180 L183 L298 I299 V302 | L175-L179 HydrophobicContact CB-CB 4.4Å; L175-L179 HydrophobicContact CD2-CB 4.09Å; L175-L179 HydrophobicContact CD2-CD1 4.04Å; L175-R180 HydrophobicContact CB-CG 3.67Å; L175-R180 WeakPolarHBondContact O-CD 3.29Å; L175-R180 PolarHBondContact O-NE 3.11Å; L175-L183 HydrophobicContact CD1-CD2 3.99Å; L175-L298 HydrophobicContact CD1-CB 4.25Å; L175-L298 HydrophobicContact CD1-CD1 4.17Å; L175-L298 HydrophobicContact CD2-CB 3.78Å; L175-I299 HydrophobicContact CD2-CD1 3.62Å; L175-I299 HydrophobicContact CD2-CG1 4.12Å; L175-I299 HydrophobicContact CG-CD1 3.72Å; L175-I299 HydrophobicContact CG-CG1 4.38Å; L175-V302 HydrophobicContact CD2-CG2 4.07Å |
| 176 | P | 92.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 160.3 | 166.2 | -18 | 27.9 | 0 | 0 | 0 | 112.5 | N178 L179 R180 V302 L336 E337 V340 | P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.46Å; P176-L179 HydrophobicContact CB-CG 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.31Å; P176-L179 HydrophobicContact CG-CG 4.28Å; P176-L179 PolarHBondContact O-N 3.4Å; P176-R180 WeakPolarHBondContact O-CB 3.47Å; P176-R180 WeakPolarHBondContact O-CG 3.33Å; P176-R180 PolarHBondContact O-N 2.89Å; P176-R180 PolarHBondContact O-NE 2.7Å; P176-V302 HydrophobicContact CG-CG2 3.99Å; P176-L336 HydrophobicContact CB-CG 4.42Å; P176-L336 HydrophobicContact CG-CD1 3.8Å; P176-L336 HydrophobicContact CG-CG 3.98Å; P176-L336 WeakPolarHBondContact CG-O 3.47Å; P176-E337 WeakPolarHBondContact CA-OE1 3.47Å; P176-V340 HydrophobicContact CG-CB 4.05Å; P176-V340 HydrophobicContact CG-CG1 4.19Å; P176-V340 HydrophobicContact CG-CG2 3.77Å |
| 177 | H | 91.3 | Very high | 84.7 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | -175.2 | -172.3 | 47.9 | 0 | 0 | 0 | 112.9 | L179 R180 V181 E337 | H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3Å; H177-R180 VanDerWaalsContact CA-NH2 3.34Å; H177-R180 PolarHBondContact O-N 3.26Å; H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 3.05Å; H177-E337 WeakPolarHBondContact CB-OE2 3.32Å; H177-E337 PolarHBondContact N-OE1 2.81Å; H177-E337 PolarHBondContact N-OE2 3.18Å |
| 178 | N | 91.8 | Very high | 86.8 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 176.5 | 60 | -1 | 0 | 0 | 0 | 111.4 | P176 V181 L182 | P176-N178 WeakPolarHBondContact CB-OD1 3.49Å; P176-N178 PolarHBondContact O-N 3.46Å; N178-V181 PolarHBondContact O-N 3.45Å; N178-L182 WeakPolarHBondContact O-CB 3.49Å; N178-L182 PolarHBondContact O-N 3.47Å |
| 179 | L | 94.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.3 | -33.9 | 178.2 | -56 | -159.9 | 0 | 0 | 0 | 112.6 | L175 P176 H177 L182 L183 L298 L301 V302 V340 I343 | L175-L179 HydrophobicContact CB-CB 4.4Å; L175-L179 HydrophobicContact CD2-CB 4.09Å; L175-L179 HydrophobicContact CD2-CD1 4.04Å; P176-L179 HydrophobicContact CB-CG 4.45Å; P176-L179 HydrophobicContact CG-CD1 4.31Å; P176-L179 HydrophobicContact CG-CG 4.28Å; P176-L179 PolarHBondContact O-N 3.4Å; H177-L179 VanDerWaalsContact C-N 3.31Å; H177-L179 PolarHBondContact O-N 3Å; L179-L182 PolarHBondContact O-N 3Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.28Å; L179-L298 HydrophobicContact CB-CD1 4.43Å; L179-L298 HydrophobicContact CB-CD2 4.41Å; L179-L298 HydrophobicContact CD1-CB 4.34Å; L179-L298 HydrophobicContact CD1-CD2 4.27Å; L179-L298 HydrophobicContact CD2-CD2 4.22Å; L179-L301 HydrophobicContact CD1-CD2 4.39Å; L179-V302 HydrophobicContact CD1-CG2 3.67Å; L179-V340 HydrophobicContact CD1-CG1 3.94Å; L179-V340 HydrophobicContact CG-CG1 4.38Å; L179-I343 HydrophobicContact CD2-CD1 3.48Å; L179-I343 VanDerWaalsContact CD2-CD1 3.48Å; L179-I343 HydrophobicContact CD2-CG1 4.23Å |
| 180 | R | 93.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 172.1 | -77.7 | -179.1 | -80.5 | 132.3 | -5.8 | 111.7 | L175 P176 H177 L183 E184 E337 | L175-R180 HydrophobicContact CB-CG 3.67Å; L175-R180 WeakPolarHBondContact O-CD 3.29Å; L175-R180 PolarHBondContact O-NE 3.11Å; P176-R180 WeakPolarHBondContact O-CB 3.47Å; P176-R180 WeakPolarHBondContact O-CG 3.33Å; P176-R180 PolarHBondContact O-N 2.89Å; P176-R180 PolarHBondContact O-NE 2.7Å; H177-R180 VanDerWaalsContact CA-NH2 3.34Å; H177-R180 PolarHBondContact O-N 3.26Å; R180-L183 PolarHBondContact O-N 2.73Å; R180-E184 PolarHBondContact O-N 2.72Å; R180-E337 IonicContact NH2-OE1 2.93Å; R180-E337 PolarHBondContact NH2-OE1 3.18Å |
| 181 | V | 93.7 | Very high | 92 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | H177 N178 L183 E184 L185 | H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 3.05Å; N178-V181 PolarHBondContact O-N 3.45Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.03Å; V181-E184 PolarHBondContact O-N 3.45Å; V181-L185 HydrophobicContact CG1-CD1 4.06Å; V181-L185 HydrophobicContact CG1-CG 4.41Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å |
| 182 | L | 95.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.6 | -170.3 | 68.4 | 0 | 0 | 0 | 112.4 | N178 L179 F186 Q227 F228 V231 F294 L298 I343 | N178-L182 WeakPolarHBondContact O-CB 3.49Å; N178-L182 PolarHBondContact O-N 3.47Å; L179-L182 PolarHBondContact O-N 3Å; L182-F186 WeakPolarHBondContact O-CB 3.42Å; L182-F186 PolarHBondContact O-N 2.89Å; L182-Q227 HydrophobicContact CD1-CB 3.92Å; L182-Q227 HydrophobicContact CD2-CB 4.23Å; L182-F228 HydrophobicContact CD1-CD1 3.85Å; L182-F228 HydrophobicContact CD1-CE1 3.56Å; L182-F228 HydrophobicContact CG-CD1 4.26Å; L182-F228 HydrophobicContact CG-CE1 4.1Å; L182-V231 HydrophobicContact CD2-CG2 4.31Å; L182-F294 HydrophobicContact CD2-CZ 4.2Å; L182-F294 HydrophobicContact CG-CE1 4.35Å; L182-F294 HydrophobicContact CG-CZ 4.18Å; L182-L298 HydrophobicContact CD2-CD2 4.39Å; L182-I343 HydrophobicContact CD2-CD1 3.44Å; L182-I343 VanDerWaalsContact CD2-CD1 3.44Å |
| 183 | L | 95.4 | Very high | 94.6 | Very high | 31 Ų | 31 | 31 Ų | 31 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 173.4 | 175.4 | 66.3 | 0 | 0 | 0 | 112.6 | L175 L179 R180 V181 F186 R187 F294 H295 L298 | L175-L183 HydrophobicContact CD1-CD2 3.99Å; L179-L183 WeakPolarHBondContact O-CB 3.42Å; L179-L183 PolarHBondContact O-N 3.28Å; R180-L183 PolarHBondContact O-N 2.73Å; V181-L183 VanDerWaalsContact C-N 3.34Å; V181-L183 PolarHBondContact O-N 3.03Å; L183-F186 PolarHBondContact O-N 3.4Å; L183-R187 WeakPolarHBondContact O-CB 3.28Å; L183-R187 PolarHBondContact O-N 2.96Å; L183-F294 HydrophobicContact CD1-CD1 3.88Å; L183-H295 HydrophobicContact CD1-CB 4.16Å; L183-L298 HydrophobicContact CB-CD1 3.84Å; L183-L298 HydrophobicContact CD1-CD1 4.45Å |
| 184 | E | 95.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 30.9 Ų | 30.9 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 177.3 | 175.9 | 151.5 | -113.4 | 0 | 0 | 112.1 | R180 V181 F186 R187 S188 V216 | R180-E184 PolarHBondContact O-N 2.72Å; V181-E184 PolarHBondContact O-N 3.45Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.35Å; E184-R187 PolarHBondContact O-N 2.93Å; E184-R187 IonicContact OE1-CZ 3.85Å; E184-R187 IonicContact OE1-NH1 3.13Å; E184-R187 IonicContact OE1-NH2 2.66Å; E184-R187 PolarHBondContact OE1-NH2 3.09Å; E184-S188 PolarHBondContact O-N 3.49Å; E184-S188 PolarHBondContact O-OG 2.97Å; E184-V216 HydrophobicContact CG-CG1 3.92Å; E184-V216 HydrophobicContact CG-CG2 4.2Å |
| 185 | L | 97.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 172 | -68.8 | 171.3 | 0 | 0 | 0 | 111.1 | V181 S188 C189 V212 V216 F220 H224 F228 | V181-L185 HydrophobicContact CG1-CD1 4.06Å; V181-L185 HydrophobicContact CG1-CG 4.41Å; V181-L185 WeakPolarHBondContact O-CG 3.39Å; V181-L185 PolarHBondContact O-N 3.41Å; L185-S188 PolarHBondContact O-N 3.31Å; L185-C189 WeakPolarHBondContact O-CB 3.41Å; L185-C189 PolarHBondContact O-N 3.24Å; L185-V212 HydrophobicContact CD2-CG1 4.12Å; L185-V216 HydrophobicContact CD2-CB 4.28Å; L185-V216 HydrophobicContact CD2-CG1 3.97Å; L185-V216 HydrophobicContact CD2-CG2 4.34Å; L185-F220 HydrophobicContact CB-CD2 4.39Å; L185-F220 HydrophobicContact CD1-CD2 4.5Å; L185-F220 HydrophobicContact CD2-CB 4.35Å; L185-F220 HydrophobicContact CD2-CD2 4.07Å; L185-H224 VanDerWaalsContact CD1-CD2 3.42Å; L185-H224 WeakPolarHBondContact CD1-CD2 3.42Å; L185-F228 HydrophobicContact CB-CE1 4.34Å; L185-F228 HydrophobicContact CB-CZ 3.98Å |
| 186 | F | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 175.6 | 179.5 | -104.3 | 0 | 0 | 0 | 111.8 | L182 L183 E184 S188 C189 D190 F228 Y232 V235 Y236 F294 | L182-F186 WeakPolarHBondContact O-CB 3.42Å; L182-F186 PolarHBondContact O-N 2.89Å; L183-F186 PolarHBondContact O-N 3.4Å; E184-F186 VanDerWaalsContact C-N 3.3Å; E184-F186 PolarHBondContact O-N 3.35Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.39Å; F186-C189 PolarHBondContact O-N 2.55Å; F186-D190 HydrophobicContact CE1-CB 4.41Å; F186-D190 HydrophobicContact CE2-CB 4.42Å; F186-D190 HydrophobicContact CZ-CB 4.15Å; F186-D190 WeakPolarHBondContact O-CB 3.41Å; F186-D190 PolarHBondContact O-N 3.17Å; F186-F228 VanDerWaalsContact CA-CZ 3.49Å; F186-F228 HydrophobicContact CB-CD1 4.06Å; F186-F228 HydrophobicContact CB-CE1 3.64Å; F186-F228 HydrophobicContact CB-CZ 4Å; F186-F228 HydrophobicContact CD2-CB 4.47Å; F186-F228 HydrophobicContact CD2-CD1 4.06Å; F186-F228 HydrophobicContact CD2-CD2 4.15Å; F186-F228 HydrophobicContact CD2-CE1 4.31Å; F186-F228 HydrophobicContact CD2-CE2 4.4Å; F186-F228 AromaticContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CZ 4.48Å; F186-F228 HydrophobicContact CG-CE1 4.49Å; F186-Y232 HydrophobicContact CZ-CD1 4.37Å; F186-V235 HydrophobicContact CE2-CG2 3.67Å; F186-V235 HydrophobicContact CZ-CG2 3.76Å; F186-Y236 HydrophobicContact CE2-CE2 4.31Å; F186-F294 HydrophobicContact CB-CD1 3.88Å; F186-F294 HydrophobicContact CB-CE1 3.64Å; F186-F294 HydrophobicContact CB-CG 4.43Å; F186-F294 HydrophobicContact CB-CZ 4.02Å; F186-F294 HydrophobicContact CD1-CB 3.68Å; F186-F294 AromaticContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD2 4.08Å; F186-F294 HydrophobicContact CD1-CE1 4.29Å; F186-F294 AromaticContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD2-CD2 4.12Å; F186-F294 HydrophobicContact CD2-CE2 4.11Å; F186-F294 HydrophobicContact CD2-CG 4.38Å; F186-F294 HydrophobicContact CD2-CZ 4.38Å; F186-F294 HydrophobicContact CE1-CB 3.64Å; F186-F294 HydrophobicContact CE1-CD1 4.46Å; F186-F294 HydrophobicContact CE1-CD2 4.26Å; F186-F294 AromaticContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE2-CD2 4.32Å; F186-F294 HydrophobicContact CG-CB 4.45Å; F186-F294 AromaticContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD2 4.02Å; F186-F294 AromaticContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE2 4.15Å; F186-F294 AromaticContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CZ 4.11Å; F186-F294 HydrophobicContact CZ-CB 4.39Å; F186-F294 HydrophobicContact CZ-CD2 4.39Å; F186-F294 HydrophobicContact CZ-CG 4.47Å |
| 187 | R | 96.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 33 Ų | 33 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -53.3 | -47.7 | 177.3 | -179.8 | -165.8 | 70.2 | -163.6 | -5.6 | 111.4 | L183 E184 T191 | L183-R187 WeakPolarHBondContact O-CB 3.28Å; L183-R187 PolarHBondContact O-N 2.96Å; E184-R187 PolarHBondContact O-N 2.93Å; E184-R187 IonicContact OE1-CZ 3.85Å; E184-R187 IonicContact OE1-NH1 3.13Å; E184-R187 IonicContact OE1-NH2 2.66Å; E184-R187 PolarHBondContact OE1-NH2 3.09Å; R187-T191 WeakPolarHBondContact O-CB 3.5Å; R187-T191 PolarHBondContact O-N 3.19Å; R187-T191 PolarHBondContact O-OG1 3.36Å |
| 188 | S | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.3 | -40.1 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | E184 L185 F186 T191 V192 I215 V216 | E184-S188 PolarHBondContact O-N 3.49Å; E184-S188 PolarHBondContact O-OG 2.97Å; L185-S188 PolarHBondContact O-N 3.31Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.39Å; S188-T191 WeakPolarHBondContact O-CB 3.38Å; S188-T191 PolarHBondContact O-N 2.9Å; S188-V192 WeakPolarHBondContact O-CG2 3.5Å; S188-V192 PolarHBondContact O-N 3.09Å; S188-I215 WeakPolarHBondContact OG-CG2 3.2Å; S188-V216 VanDerWaalsContact CB-CG2 3.49Å; S188-V216 WeakPolarHBondContact OG-CG2 3.17Å |
| 189 | C | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -51.2 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | L185 F186 T191 V192 V193 V212 F220 F228 | L185-C189 WeakPolarHBondContact O-CB 3.41Å; L185-C189 PolarHBondContact O-N 3.24Å; F186-C189 PolarHBondContact O-N 2.55Å; C189-T191 PolarHBondContact O-N 3.41Å; C189-V192 PolarHBondContact O-N 2.8Å; C189-V192 VanDerWaalsContact O-N 3.12Å; C189-V193 WeakPolarHBondContact O-CG2 3.45Å; C189-V193 PolarHBondContact O-N 3.08Å; C189-V212 HydrophobicContact CB-CG2 4.06Å; C189-F220 HydrophobicContact CB-CZ 4.21Å; C189-F228 HydrophobicContact CB-CE2 3.92Å; C189-F228 HydrophobicContact CB-CZ 4.41Å |
| 190 | D | 97.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -33.1 | 179.8 | -150.3 | 45.6 | 0 | 0 | 0 | 110.9 | F186 S194 Y236 F282 L287 R290 | F186-D190 HydrophobicContact CE1-CB 4.41Å; F186-D190 HydrophobicContact CE2-CB 4.42Å; F186-D190 HydrophobicContact CZ-CB 4.15Å; F186-D190 WeakPolarHBondContact O-CB 3.41Å; F186-D190 PolarHBondContact O-N 3.17Å; D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.27Å; D190-S194 PolarHBondContact O-N 3.44Å; D190-Y236 WeakPolarHBondContact CA-OH 3.47Å; D190-Y236 PolarHBondContact N-OH 3Å; D190-Y236 PolarHBondContact OD1-OH 3.46Å; D190-F282 WeakPolarHBondContact OD1-CZ 3.37Å; D190-F282 WeakPolarHBondContact OD2-CZ 3.4Å; D190-L287 HydrophobicContact CB-CD2 4.09Å; D190-L287 WeakPolarHBondContact O-CD2 3.45Å; D190-R290 IonicContact OD1-CZ 2.72Å; D190-R290 VanDerWaalsContact OD1-CZ 3.31Å; D190-R290 IonicContact OD1-NE 3.79Å; D190-R290 PolarHBondContact OD1-NE 2.95Å; D190-R290 IonicContact OD1-NH2 2.7Å; D190-R290 PolarHBondContact OD1-NH2 3.2Å; D190-R290 WeakPolarHBondContact OD2-CB 3.33Å; D190-R290 IonicContact OD2-CZ 3.44Å; D190-R290 IonicContact OD2-NE 2.73Å; D190-R290 PolarHBondContact OD2-NE 3.49Å |
| 191 | T | 97.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 173.1 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | R187 S188 C189 S194 M195 | R187-T191 WeakPolarHBondContact O-CB 3.5Å; R187-T191 PolarHBondContact O-N 3.19Å; R187-T191 PolarHBondContact O-OG1 3.36Å; S188-T191 WeakPolarHBondContact O-CB 3.38Å; S188-T191 PolarHBondContact O-N 2.9Å; C189-T191 PolarHBondContact O-N 3.41Å; T191-S194 WeakPolarHBondContact O-CB 3.14Å; T191-S194 PolarHBondContact O-N 3.33Å; T191-M195 PolarHBondContact O-N 2.65Å; T191-M195 VanDerWaalsContact O-N 3.07Å |
| 192 | V | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 111 | S188 C189 S194 M195 L196 I208 A211 V212 I215 | S188-V192 WeakPolarHBondContact O-CG2 3.5Å; S188-V192 PolarHBondContact O-N 3.09Å; C189-V192 PolarHBondContact O-N 2.8Å; C189-V192 VanDerWaalsContact O-N 3.12Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.17Å; V192-M195 HydrophobicContact CG2-CE 4.2Å; V192-M195 PolarHBondContact O-N 3.07Å; V192-L196 HydrophobicContact CG1-CD1 4.03Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.12Å; V192-I208 HydrophobicContact CG1-CB 4.49Å; V192-I208 HydrophobicContact CG1-CG1 4.2Å; V192-I208 HydrophobicContact CG1-CG2 4.49Å; V192-A211 HydrophobicContact CG1-CB 3.95Å; V192-A211 HydrophobicContact CG2-CB 3.89Å; V192-V212 HydrophobicContact CG2-CG2 4.18Å; V192-I215 HydrophobicContact CG2-CD1 3.61Å |
| 193 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | C189 L196 H197 I208 Y236 L259 P261 F282 | C189-V193 WeakPolarHBondContact O-CG2 3.45Å; C189-V193 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 3.4Å; V193-H197 WeakPolarHBondContact O-CB 3.47Å; V193-H197 PolarHBondContact O-N 2.79Å; V193-I208 HydrophobicContact CG2-CD1 3.76Å; V193-I208 HydrophobicContact CG2-CG1 4.36Å; V193-Y236 HydrophobicContact CB-CE1 4.37Å; V193-Y236 HydrophobicContact CG1-CE1 4.03Å; V193-Y236 HydrophobicContact CG2-CE1 4.19Å; V193-L259 HydrophobicContact CG2-CB 4.34Å; V193-L259 HydrophobicContact CG2-CD2 4.45Å; V193-P261 HydrophobicContact CG1-CB 3.92Å; V193-P261 HydrophobicContact CG1-CG 3.78Å; V193-F282 HydrophobicContact CG1-CE1 4.27Å |
| 194 | S | 96.3 | Very high | 96 | Very high | 8 Ų | 8 | 45 Ų | 45 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 173.8 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | D190 T191 V192 N198 F282 | D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.27Å; D190-S194 PolarHBondContact O-N 3.44Å; T191-S194 WeakPolarHBondContact O-CB 3.14Å; T191-S194 PolarHBondContact O-N 3.33Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.17Å; S194-N198 WeakPolarHBondContact O-CB 3.48Å; S194-N198 PolarHBondContact O-N 2.97Å; S194-N198 PolarHBondContact O-ND2 3.47Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å; S194-N198 PolarHBondContact OG-ND2 2.84Å; S194-F282 VanDerWaalsContact CA-CD1 3.48Å; S194-F282 PolarHBondContact OG-O 3.18Å |
| 195 | M | 96.8 | Very high | 96 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 177.3 | -69.6 | -167.9 | -68.6 | 0 | 0 | 112.7 | T191 V192 R199 | T191-M195 PolarHBondContact O-N 2.65Å; T191-M195 VanDerWaalsContact O-N 3.07Å; V192-M195 HydrophobicContact CG2-CE 4.2Å; V192-M195 PolarHBondContact O-N 3.07Å; M195-R199 WeakPolarHBondContact O-CG 3.26Å; M195-R199 PolarHBondContact O-N 2.89Å |
| 196 | L | 96.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 45 Ų | 45 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -48.1 | 179.7 | -65 | 173.7 | 0 | 0 | 0 | 111 | V192 V193 N198 R199 K200 E201 C203 K207 I208 | V192-L196 HydrophobicContact CG1-CD1 4.03Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.3Å; V192-L196 PolarHBondContact O-N 3.12Å; V193-L196 PolarHBondContact O-N 3.4Å; L196-N198 PolarHBondContact O-N 3.37Å; L196-R199 PolarHBondContact O-N 3.45Å; L196-R199 VanDerWaalsContact O-N 3.14Å; L196-K200 PolarHBondContact O-N 3.46Å; L196-E201 HydrophobicContact CB-CB 4.41Å; L196-E201 HydrophobicContact CD2-CB 4.36Å; L196-E201 HydrophobicContact CD2-CG 4.39Å; L196-E201 WeakPolarHBondContact CD2-OE2 3.28Å; L196-E201 WeakPolarHBondContact O-CB 3.37Å; L196-E201 PolarHBondContact O-N 3.13Å; L196-C203 VanDerWaalsContact CB-SG 3.53Å; L196-K207 HydrophobicContact CD1-CB 4.29Å; L196-K207 HydrophobicContact CD2-CD 4.48Å; L196-I208 HydrophobicContact CD1-CG1 3.91Å |
| 197 | H | 95.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 179.6 | -176.8 | -89.7 | 0 | 0 | 0 | 111.9 | V193 R199 K200 C203 P261 F279 L280 | V193-H197 WeakPolarHBondContact O-CB 3.47Å; V193-H197 PolarHBondContact O-N 2.79Å; H197-R199 PolarHBondContact O-N 3.01Å; H197-K200 WeakPolarHBondContact O-CA 3.26Å; H197-K200 PolarHBondContact O-N 2.84Å; H197-C203 PolarHBondContact N-SG 2.67Å; H197-C203 VanDerWaalsContact N-SG 3.43Å; H197-P261 HydrophobicContact CB-CG 4.01Å; H197-P261 VanDerWaalsContact CD2-CG 3.42Å; H197-P261 WeakPolarHBondContact CD2-CG 3.43Å; H197-F279 AromaticContact CE1-CE2 3.37Å; H197-F279 WeakPolarHBondContact CE1-CE2 3.22Å; H197-F279 AromaticContact CE1-CZ 3.71Å; H197-F279 AromaticContact ND1-CE2 3.79Å; H197-F279 AromaticContact ND1-CZ 3.79Å; H197-F279 AromaticContact NE2-CE2 3.82Å; H197-F279 WeakPolarHBondContact O-CE2 3.45Å; H197-F279 WeakPolarHBondContact O-CZ 3.43Å; H197-L280 PolarHBondContact CE1-O 3.17Å; H197-L280 VanDerWaalsContact CE1-O 3.24Å |
| 198 | N | 94.7 | Very high | 95.8 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64 | -26.6 | 179.1 | -74.9 | -26.2 | 0 | 0 | 0 | 113.5 | S194 L196 K200 F282 | S194-N198 WeakPolarHBondContact O-CB 3.48Å; S194-N198 PolarHBondContact O-N 2.97Å; S194-N198 PolarHBondContact O-ND2 3.47Å; S194-N198 VanDerWaalsContact O-ND2 3.09Å; S194-N198 PolarHBondContact OG-ND2 2.84Å; L196-N198 PolarHBondContact O-N 3.37Å; N198-K200 VanDerWaalsContact C-N 3.26Å; N198-F282 PolarHBondContact ND2-O 2.86Å; N198-F282 WeakPolarHBondContact OD1-CA 3.42Å; N198-F282 WeakPolarHBondContact OD1-CB 3.27Å; N198-F282 PolarHBondContact OD1-N 3.22Å |
| 199 | R | 95.1 | Very high | 95.8 | Very high | 178 Ų | 178 | 46.1 Ų | 46.1 | 67% | 0.672 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.1 | 172 | -67.1 | 171.4 | -177.4 | 168 | 2 | 113.4 | M195 L196 H197 E201 | M195-R199 WeakPolarHBondContact O-CG 3.26Å; M195-R199 PolarHBondContact O-N 2.89Å; L196-R199 PolarHBondContact O-N 3.45Å; L196-R199 VanDerWaalsContact O-N 3.14Å; H197-R199 PolarHBondContact O-N 3.01Å; R199-E201 HydrophobicContact CB-CB 4.29Å; R199-E201 PolarHBondContact O-N 3.12Å |
| 200 | K | 92.6 | Very high | 95.7 | Very high | 169 Ų | 169 | 49.3 Ų | 49.3 | 74% | 0.735 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 25.3 | -168.5 | -53.7 | 175.3 | -176.4 | 172.8 | 0 | 112.9 | L196 H197 N198 F279 | L196-K200 PolarHBondContact O-N 3.46Å; H197-K200 WeakPolarHBondContact O-CA 3.26Å; H197-K200 PolarHBondContact O-N 2.84Å; N198-K200 VanDerWaalsContact C-N 3.26Å; K200-F279 HydrophobicContact CG-CD2 4.35Å; K200-F279 HydrophobicContact CG-CE2 3.95Å; K200-F279 HydrophobicContact CG-CZ 4.19Å |
| 201 | E | 93.5 | Very high | 95.7 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | trans | -85.6 | 145.3 | -179.5 | -159.2 | -173.4 | 149.3 | 0 | 0 | 110.7 | L196 R199 C203 K207 | L196-E201 HydrophobicContact CB-CB 4.41Å; L196-E201 HydrophobicContact CD2-CB 4.36Å; L196-E201 HydrophobicContact CD2-CG 4.39Å; L196-E201 WeakPolarHBondContact CD2-OE2 3.28Å; L196-E201 WeakPolarHBondContact O-CB 3.37Å; L196-E201 PolarHBondContact O-N 3.13Å; R199-E201 HydrophobicContact CB-CB 4.29Å; R199-E201 PolarHBondContact O-N 3.12Å; E201-C203 PolarHBondContact O-N 3.11Å; E201-C203 VanDerWaalsContact O-N 3.09Å; E201-C203 PolarHBondContact O-SG 2.86Å; E201-K207 WeakPolarHBondContact OE1-CD 3.29Å; E201-K207 WeakPolarHBondContact OE1-CE 3.46Å; E201-K207 IonicContact OE1-NZ 3.45Å; E201-K207 PolarHBondContact OE1-NZ 3.38Å | ||
| 202 | L | 92 | Very high | 95.8 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | trans | -61.9 | 116.3 | 175.2 | -169.8 | 67.7 | 0 | 0 | 0 | 110.2 | S204 K207 E241 V258 | L202-S204 PolarHBondContact O-N 3.06Å; L202-K207 PolarHBondContact O-NZ 3.43Å; L202-K207 VanDerWaalsContact O-NZ 3.09Å; L202-E241 VanDerWaalsContact CD1-OE2 3.32Å; L202-E241 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E241 HydrophobicContact CD2-CG 4.48Å; L202-V258 HydrophobicContact CD1-CB 4.46Å; L202-V258 HydrophobicContact CD1-CG1 3.6Å; L202-V258 HydrophobicContact CD1-CG2 3.97Å; L202-V258 HydrophobicContact CD2-CG2 4.1Å; L202-V258 HydrophobicContact CG-CG1 4.21Å; L202-V258 HydrophobicContact CG-CG2 4.09Å | ||
| 203 | C | 95.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | -77.8 | 62.8 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | L196 H197 E201 I208 V258 L259 | L196-C203 VanDerWaalsContact CB-SG 3.53Å; H197-C203 PolarHBondContact N-SG 2.67Å; H197-C203 VanDerWaalsContact N-SG 3.43Å; E201-C203 PolarHBondContact O-N 3.11Å; E201-C203 VanDerWaalsContact O-N 3.09Å; E201-C203 PolarHBondContact O-SG 2.86Å; C203-I208 HydrophobicContact CB-CD1 4.3Å; C203-I208 WeakPolarHBondContact O-CD1 3.49Å; C203-V258 WeakPolarHBondContact O-CA 3.36Å; C203-L259 WeakPolarHBondContact CB-O 3.33Å; C203-L259 PolarHBondContact O-N 3.14Å | ||
| 204 | S | 95 | Very high | 95.7 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 144.5 | -175.1 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | L202 D206 K207 I208 | L202-S204 PolarHBondContact O-N 3.06Å; S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 WeakPolarHBondContact CB-OD1 3.36Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-D206 PolarHBondContact OG-OD1 3.38Å; S204-K207 PolarHBondContact O-N 3.02Å; S204-K207 WeakPolarHBondContact OG-CD 3.47Å; S204-K207 WeakPolarHBondContact OG-CE 3.39Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 3.05Å; S204-I208 VanDerWaalsContact O-N 3.1Å |
| 205 | F | 96 | Very high | 95.6 | Very high | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -30.9 | -171.8 | -171.2 | -97.3 | 0 | 0 | 0 | 112.8 | K207 I208 Q209 F220 E222 V225 V256 L257 L259 | F205-K207 PolarHBondContact O-N 3.3Å; F205-I208 PolarHBondContact O-N 3.36Å; F205-Q209 HydrophobicContact CD1-CB 4.15Å; F205-Q209 HydrophobicContact CE1-CB 3.74Å; F205-Q209 HydrophobicContact CE1-CG 3.94Å; F205-Q209 HydrophobicContact CZ-CB 3.9Å; F205-Q209 HydrophobicContact CZ-CG 4.04Å; F205-Q209 WeakPolarHBondContact O-CB 3.28Å; F205-Q209 PolarHBondContact O-N 2.96Å; F205-F220 HydrophobicContact CD2-CE1 4.47Å; F205-F220 HydrophobicContact CE2-CD1 4.06Å; F205-F220 AromaticContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CZ 4.27Å; F205-F220 HydrophobicContact CZ-CD1 4.18Å; F205-F220 HydrophobicContact CZ-CE1 4.15Å; F205-E222 HydrophobicContact CD1-CG 3.87Å; F205-E222 HydrophobicContact CD2-CG 4.41Å; F205-E222 HydrophobicContact CE1-CG 3.71Å; F205-E222 HydrophobicContact CE2-CG 4.27Å; F205-E222 HydrophobicContact CG-CG 4.24Å; F205-E222 HydrophobicContact CZ-CG 3.96Å; F205-V225 HydrophobicContact CD2-CG2 4.24Å; F205-V225 HydrophobicContact CE2-CG2 3.82Å; F205-V256 HydrophobicContact CB-CG1 4.4Å; F205-L257 HydrophobicContact CB-CB 4.02Å; F205-L257 WeakPolarHBondContact CB-O 3.49Å; F205-L257 PolarHBondContact N-O 2.8Å; F205-L259 HydrophobicContact CD2-CD1 4.24Å |
| 206 | D | 93.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -22 | 172.4 | 67.4 | -27.7 | 0 | 0 | 0 | 114.3 | S204 P210 Q243 V256 | S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 WeakPolarHBondContact CB-OD1 3.36Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-D206 PolarHBondContact OG-OD1 3.38Å; D206-P210 VanDerWaalsContact O-CD 3.27Å; D206-P210 WeakPolarHBondContact O-CD 3.33Å; D206-P210 WeakPolarHBondContact O-CG 3.27Å; D206-Q243 PolarHBondContact OD2-NE2 3.14Å; D206-V256 HydrophobicContact CB-CG1 4.13Å |
| 207 | K | 95.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 65 Ų | 65 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -96.8 | -41.1 | 172.9 | -57.1 | 173.9 | -167.4 | 173.9 | 0 | 112.2 | L196 E201 L202 S204 F205 A211 | L196-K207 HydrophobicContact CD1-CB 4.29Å; L196-K207 HydrophobicContact CD2-CD 4.48Å; E201-K207 WeakPolarHBondContact OE1-CD 3.29Å; E201-K207 WeakPolarHBondContact OE1-CE 3.46Å; E201-K207 IonicContact OE1-NZ 3.45Å; E201-K207 PolarHBondContact OE1-NZ 3.38Å; L202-K207 PolarHBondContact O-NZ 3.43Å; L202-K207 VanDerWaalsContact O-NZ 3.09Å; S204-K207 PolarHBondContact O-N 3.02Å; S204-K207 WeakPolarHBondContact OG-CD 3.47Å; S204-K207 WeakPolarHBondContact OG-CE 3.39Å; F205-K207 PolarHBondContact O-N 3.3Å; K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.2Å |
| 208 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | -177 | -62.8 | 164 | 0 | 0 | 0 | 110.3 | V192 V193 L196 C203 S204 F205 A211 V212 F220 L259 | V192-I208 HydrophobicContact CG1-CB 4.49Å; V192-I208 HydrophobicContact CG1-CG1 4.2Å; V192-I208 HydrophobicContact CG1-CG2 4.49Å; V193-I208 HydrophobicContact CG2-CD1 3.76Å; V193-I208 HydrophobicContact CG2-CG1 4.36Å; L196-I208 HydrophobicContact CD1-CG1 3.91Å; C203-I208 HydrophobicContact CB-CD1 4.3Å; C203-I208 WeakPolarHBondContact O-CD1 3.49Å; S204-I208 WeakPolarHBondContact O-CG1 3.33Å; S204-I208 PolarHBondContact O-N 3.05Å; S204-I208 VanDerWaalsContact O-N 3.1Å; F205-I208 PolarHBondContact O-N 3.36Å; I208-A211 PolarHBondContact O-N 2.88Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; I208-V212 WeakPolarHBondContact O-CB 3.25Å; I208-V212 VanDerWaalsContact O-CG2 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.13Å; I208-V212 PolarHBondContact O-N 2.6Å; I208-F220 HydrophobicContact CG2-CE1 4.11Å; I208-L259 HydrophobicContact CD1-CB 4.03Å; I208-L259 HydrophobicContact CD1-CD1 4.25Å; I208-L259 HydrophobicContact CD1-CD2 4.2Å; I208-L259 HydrophobicContact CD1-CG 4.37Å |
| 209 | Q | 97.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.9 | -61.3 | -177.7 | -174 | 179.3 | 25.7 | 0 | 0 | 113.4 | F205 A211 V212 Q213 F220 | F205-Q209 HydrophobicContact CD1-CB 4.15Å; F205-Q209 HydrophobicContact CE1-CB 3.74Å; F205-Q209 HydrophobicContact CE1-CG 3.94Å; F205-Q209 HydrophobicContact CZ-CB 3.9Å; F205-Q209 HydrophobicContact CZ-CG 4.04Å; F205-Q209 WeakPolarHBondContact O-CB 3.28Å; F205-Q209 PolarHBondContact O-N 2.96Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.06Å; Q209-V212 PolarHBondContact O-N 3.21Å; Q209-Q213 WeakPolarHBondContact O-CB 3.37Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.16Å; Q209-Q213 PolarHBondContact O-N 2.77Å; Q209-Q213 PolarHBondContact O-OE1 3.24Å; Q209-F220 WeakPolarHBondContact CG-O 3.3Å; Q209-F220 PolarHBondContact NE2-O 2.97Å |
| 210 | P | 97.2 | Very high | 95.4 | Very high | 67 Ų | 67 | 62.2 Ų | 62.2 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.3 | -37.8 | -179.9 | 23.6 | -34.2 | 0 | 0 | 0 | 112.3 | D206 Q213 E214 | D206-P210 VanDerWaalsContact O-CD 3.27Å; D206-P210 WeakPolarHBondContact O-CD 3.33Å; D206-P210 WeakPolarHBondContact O-CG 3.27Å; P210-Q213 PolarHBondContact O-N 3.43Å; P210-E214 WeakPolarHBondContact O-CB 3.43Å; P210-E214 PolarHBondContact O-N 2.78Å |
| 211 | A | 97.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V192 K207 I208 Q209 E214 I215 | V192-A211 HydrophobicContact CG1-CB 3.95Å; V192-A211 HydrophobicContact CG2-CB 3.89Å; K207-A211 WeakPolarHBondContact O-CB 3.42Å; K207-A211 PolarHBondContact O-N 3.2Å; I208-A211 PolarHBondContact O-N 2.88Å; Q209-A211 VanDerWaalsContact C-N 3.3Å; Q209-A211 PolarHBondContact O-N 3.06Å; A211-E214 PolarHBondContact O-N 3.35Å; A211-I215 WeakPolarHBondContact O-CD1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.19Å |
| 212 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L185 C189 V192 I208 Q209 E214 I215 V216 F220 | L185-V212 HydrophobicContact CD2-CG1 4.12Å; C189-V212 HydrophobicContact CB-CG2 4.06Å; V192-V212 HydrophobicContact CG2-CG2 4.18Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; I208-V212 WeakPolarHBondContact O-CB 3.25Å; I208-V212 VanDerWaalsContact O-CG2 3.26Å; I208-V212 WeakPolarHBondContact O-CG2 3.13Å; I208-V212 PolarHBondContact O-N 2.6Å; Q209-V212 PolarHBondContact O-N 3.21Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.24Å; V212-I215 PolarHBondContact O-N 3.01Å; V212-V216 HydrophobicContact CG1-CG2 4.38Å; V212-V216 WeakPolarHBondContact O-CB 3.39Å; V212-V216 PolarHBondContact O-N 3.29Å; V212-F220 HydrophobicContact CB-CB 4.46Å; V212-F220 HydrophobicContact CB-CD1 3.93Å; V212-F220 HydrophobicContact CB-CE1 4.4Å; V212-F220 HydrophobicContact CB-CG 4.2Å; V212-F220 HydrophobicContact CG1-CB 3.94Å; V212-F220 HydrophobicContact CG1-CD1 3.91Å; V212-F220 HydrophobicContact CG1-CD2 4.05Å; V212-F220 HydrophobicContact CG1-CE1 4.42Å; V212-F220 HydrophobicContact CG1-CG 3.69Å; V212-F220 HydrophobicContact CG2-CD1 4.4Å; V212-F220 HydrophobicContact CG2-CE1 4.39Å |
| 213 | Q | 97.5 | Very high | 95.7 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 173.9 | -69.8 | 175.5 | -61.9 | 0 | 0 | 111.8 | Q209 P210 R217 R218 F220 | Q209-Q213 WeakPolarHBondContact O-CB 3.37Å; Q209-Q213 VanDerWaalsContact O-CG 3.29Å; Q209-Q213 WeakPolarHBondContact O-CG 3.16Å; Q209-Q213 PolarHBondContact O-N 2.77Å; Q209-Q213 PolarHBondContact O-OE1 3.24Å; P210-Q213 PolarHBondContact O-N 3.43Å; Q213-R217 WeakPolarHBondContact O-CA 3.44Å; Q213-R217 PolarHBondContact O-N 3.26Å; Q213-R218 WeakPolarHBondContact CA-O 3.36Å; Q213-R218 WeakPolarHBondContact CG-O 3.35Å; Q213-F220 HydrophobicContact CG-CB 4.11Å |
| 214 | E | 96 | Very high | 95.7 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 175 | -173.8 | 178.9 | -168.4 | 0 | 0 | 112.2 | P210 A211 V212 R217 | P210-E214 WeakPolarHBondContact O-CB 3.43Å; P210-E214 PolarHBondContact O-N 2.78Å; A211-E214 PolarHBondContact O-N 3.35Å; V212-E214 VanDerWaalsContact C-N 3.32Å; V212-E214 PolarHBondContact O-N 3.24Å; E214-R217 WeakPolarHBondContact O-CD 3.41Å; E214-R217 PolarHBondContact O-NE 2.81Å; E214-R217 PolarHBondContact O-NH2 2.83Å; E214-R217 IonicContact OE1-NH2 3.57Å |
| 215 | I | 95.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 45% | 0.446 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | -179 | -68.6 | 163.6 | 0 | 0 | 0 | 111.7 | S188 V192 A211 V212 | S188-I215 WeakPolarHBondContact OG-CG2 3.2Å; V192-I215 HydrophobicContact CG2-CD1 3.61Å; A211-I215 WeakPolarHBondContact O-CD1 3.31Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.19Å; V212-I215 PolarHBondContact O-N 3.01Å |
| 216 | V | 94.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -98.7 | -16.2 | -171.9 | -175.8 | 0 | 0 | 0 | 0 | 113 | E184 L185 S188 V212 R218 | E184-V216 HydrophobicContact CG-CG1 3.92Å; E184-V216 HydrophobicContact CG-CG2 4.2Å; L185-V216 HydrophobicContact CD2-CB 4.28Å; L185-V216 HydrophobicContact CD2-CG1 3.97Å; L185-V216 HydrophobicContact CD2-CG2 4.34Å; S188-V216 VanDerWaalsContact CB-CG2 3.49Å; S188-V216 WeakPolarHBondContact OG-CG2 3.17Å; V212-V216 HydrophobicContact CG1-CG2 4.38Å; V212-V216 WeakPolarHBondContact O-CB 3.39Å; V212-V216 PolarHBondContact O-N 3.29Å; V216-R218 HydrophobicContact CG1-CB 4.02Å; V216-R218 HydrophobicContact CG1-CG 3.96Å; V216-R218 PolarHBondContact O-N 2.82Å |
| 217 | R | 94.9 | Very high | 96 | Very high | 191 Ų | 191 | 57.1 Ų | 57.1 | 72% | 0.721 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 53.3 | 39.1 | -173.8 | -52.6 | -64.1 | 174.7 | -172.6 | -13 | 112.5 | Q213 E214 | Q213-R217 WeakPolarHBondContact O-CA 3.44Å; Q213-R217 PolarHBondContact O-N 3.26Å; E214-R217 WeakPolarHBondContact O-CD 3.41Å; E214-R217 PolarHBondContact O-NE 2.81Å; E214-R217 PolarHBondContact O-NH2 2.83Å; E214-R217 IonicContact OE1-NH2 3.57Å |
| 218 | R | 93 | Very high | 96.1 | Very high | 110 Ų | 110 | 53.9 Ų | 53.9 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -139.5 | 161.2 | 177 | -65.5 | -179.4 | -173.3 | -101.1 | -4.7 | 109.9 | Q213 V216 | Q213-R218 WeakPolarHBondContact CA-O 3.36Å; Q213-R218 WeakPolarHBondContact CG-O 3.35Å; V216-R218 HydrophobicContact CG1-CB 4.02Å; V216-R218 HydrophobicContact CG1-CG 3.96Å; V216-R218 PolarHBondContact O-N 2.82Å |
| 219 | N | 93.5 | Very high | 96.1 | Very high | 115 Ų | 115 | 55 Ų | 55 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | trans | -63 | 146.5 | 171 | -69.8 | -4.8 | 0 | 0 | 0 | 111.4 | ||||
| 220 | F | 97 | Very high | 96 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -143.7 | 140.1 | 172.8 | -178.9 | -111.2 | 0 | 0 | 0 | 108 | L185 C189 F205 I208 Q209 V212 Q213 H224 V225 F228 | L185-F220 HydrophobicContact CB-CD2 4.39Å; L185-F220 HydrophobicContact CD1-CD2 4.5Å; L185-F220 HydrophobicContact CD2-CB 4.35Å; L185-F220 HydrophobicContact CD2-CD2 4.07Å; C189-F220 HydrophobicContact CB-CZ 4.21Å; F205-F220 HydrophobicContact CD2-CE1 4.47Å; F205-F220 HydrophobicContact CE2-CD1 4.06Å; F205-F220 AromaticContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CE1 3.56Å; F205-F220 HydrophobicContact CE2-CZ 4.27Å; F205-F220 HydrophobicContact CZ-CD1 4.18Å; F205-F220 HydrophobicContact CZ-CE1 4.15Å; I208-F220 HydrophobicContact CG2-CE1 4.11Å; Q209-F220 WeakPolarHBondContact CG-O 3.3Å; Q209-F220 PolarHBondContact NE2-O 2.97Å; V212-F220 HydrophobicContact CB-CB 4.46Å; V212-F220 HydrophobicContact CB-CD1 3.93Å; V212-F220 HydrophobicContact CB-CE1 4.4Å; V212-F220 HydrophobicContact CB-CG 4.2Å; V212-F220 HydrophobicContact CG1-CB 3.94Å; V212-F220 HydrophobicContact CG1-CD1 3.91Å; V212-F220 HydrophobicContact CG1-CD2 4.05Å; V212-F220 HydrophobicContact CG1-CE1 4.42Å; V212-F220 HydrophobicContact CG1-CG 3.69Å; V212-F220 HydrophobicContact CG2-CD1 4.4Å; V212-F220 HydrophobicContact CG2-CE1 4.39Å; Q213-F220 HydrophobicContact CG-CB 4.11Å; F220-H224 HydrophobicContact CD2-CB 3.78Å; F220-H224 HydrophobicContact CE2-CB 3.62Å; F220-V225 HydrophobicContact CE1-CG2 4.42Å; F220-V225 HydrophobicContact CZ-CG2 3.83Å; F220-F228 AromaticContact CE2-CE2 3.66Å; F220-F228 HydrophobicContact CE2-CE2 3.66Å; F220-F228 AromaticContact CE2-CZ 3.71Å; F220-F228 HydrophobicContact CE2-CZ 3.71Å; F220-F228 AromaticContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CZ 4.35Å | ||
| 221 | E | 95.8 | Very high | 95.9 | Very high | 86 Ų | 86 | 53 Ų | 53 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | trans | -149.8 | 163.3 | -165.8 | -69.3 | 175 | 179.5 | 0 | 0 | 110 | T223 H224 | E221-T223 WeakPolarHBondContact CB-OG1 3.37Å; E221-T223 PolarHBondContact O-N 3.45Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-T223 PolarHBondContact OE2-OG1 3.24Å; E221-H224 PolarHBondContact N-ND1 2.86Å; E221-H224 WeakPolarHBondContact O-CB 3.48Å; E221-H224 PolarHBondContact O-N 2.89Å | ||
| 222 | E | 94.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 52 Ų | 52 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.6 | -30.9 | 175.3 | -63.3 | -173.6 | -142.6 | 0 | 0 | 112.1 | F205 H224 V225 G226 Y240 L257 L348 R351 | F205-E222 HydrophobicContact CD1-CG 3.87Å; F205-E222 HydrophobicContact CD2-CG 4.41Å; F205-E222 HydrophobicContact CE1-CG 3.71Å; F205-E222 HydrophobicContact CE2-CG 4.27Å; F205-E222 HydrophobicContact CG-CG 4.24Å; F205-E222 HydrophobicContact CZ-CG 3.96Å; E222-H224 VanDerWaalsContact C-N 3.28Å; E222-H224 PolarHBondContact O-N 2.84Å; E222-V225 WeakPolarHBondContact O-CA 3.45Å; E222-V225 WeakPolarHBondContact O-CB 3.44Å; E222-V225 PolarHBondContact O-N 3.18Å; E222-G226 PolarHBondContact O-N 2.96Å; E222-Y240 PolarHBondContact OE2-OH 3.02Å; E222-L257 HydrophobicContact CB-CD2 4.42Å; E222-L257 HydrophobicContact CG-CD2 3.99Å; E222-L348 HydrophobicContact CB-CD1 3.68Å; E222-R351 IonicContact OE1-NH2 3.49Å; E222-R351 PolarHBondContact OE1-NH2 3.05Å; E222-R351 IonicContact OE2-NH2 2.77Å; E222-R351 PolarHBondContact OE2-NH2 3.4Å |
| 223 | T | 94.9 | Very high | 95.6 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.6 | -42.9 | 172 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | E221 V225 G226 Q227 P345 | E221-T223 WeakPolarHBondContact CB-OG1 3.37Å; E221-T223 PolarHBondContact O-N 3.45Å; E221-T223 VanDerWaalsContact O-N 3.16Å; E221-T223 PolarHBondContact OE2-OG1 3.24Å; T223-V225 VanDerWaalsContact C-N 3.35Å; T223-V225 PolarHBondContact O-N 3.38Å; T223-G226 WeakPolarHBondContact O-CA 3.34Å; T223-G226 PolarHBondContact O-N 3.33Å; T223-Q227 PolarHBondContact O-N 2.96Å; T223-P345 WeakPolarHBondContact O-CB 3.42Å |
| 224 | H | 96.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 18% | 0.181 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.7 | -30.5 | 179.8 | -62 | 78.4 | 0 | 0 | 0 | 111.7 | L185 F220 E221 E222 G226 Q227 F228 | L185-H224 VanDerWaalsContact CD1-CD2 3.42Å; L185-H224 WeakPolarHBondContact CD1-CD2 3.42Å; F220-H224 HydrophobicContact CD2-CB 3.78Å; F220-H224 HydrophobicContact CE2-CB 3.62Å; E221-H224 PolarHBondContact N-ND1 2.86Å; E221-H224 WeakPolarHBondContact O-CB 3.48Å; E221-H224 PolarHBondContact O-N 2.89Å; E222-H224 VanDerWaalsContact C-N 3.28Å; E222-H224 PolarHBondContact O-N 2.84Å; H224-G226 VanDerWaalsContact C-N 3.33Å; H224-Q227 PolarHBondContact O-N 3.21Å; H224-F228 WeakPolarHBondContact O-CD1 3.43Å; H224-F228 VanDerWaalsContact O-CG 3.24Å; H224-F228 WeakPolarHBondContact O-CG 3.46Å; H224-F228 PolarHBondContact O-N 2.87Å |
| 225 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 171.1 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | F205 F220 E222 T223 F228 L229 L238 L259 | F205-V225 HydrophobicContact CD2-CG2 4.24Å; F205-V225 HydrophobicContact CE2-CG2 3.82Å; F220-V225 HydrophobicContact CE1-CG2 4.42Å; F220-V225 HydrophobicContact CZ-CG2 3.83Å; E222-V225 WeakPolarHBondContact O-CA 3.45Å; E222-V225 WeakPolarHBondContact O-CB 3.44Å; E222-V225 PolarHBondContact O-N 3.18Å; T223-V225 VanDerWaalsContact C-N 3.35Å; T223-V225 PolarHBondContact O-N 3.38Å; V225-F228 WeakPolarHBondContact O-CB 3.5Å; V225-F228 PolarHBondContact O-N 3.42Å; V225-L229 PolarHBondContact O-N 3.1Å; V225-L229 VanDerWaalsContact O-N 3.12Å; V225-L238 HydrophobicContact CG1-CD1 3.97Å; V225-L238 HydrophobicContact CG1-CD2 4.07Å; V225-L259 HydrophobicContact CG1-CD1 4.47Å; V225-L259 HydrophobicContact CG1-CD2 3.97Å; V225-L259 HydrophobicContact CG1-CG 4.21Å; V225-L259 HydrophobicContact CG2-CD2 4.18Å |
| 226 | G | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E222 T223 H224 F228 L229 T230 S346 | E222-G226 PolarHBondContact O-N 2.96Å; T223-G226 WeakPolarHBondContact O-CA 3.34Å; T223-G226 PolarHBondContact O-N 3.33Å; H224-G226 VanDerWaalsContact C-N 3.33Å; G226-F228 PolarHBondContact O-N 3.24Å; G226-L229 PolarHBondContact O-N 3.24Å; G226-T230 PolarHBondContact O-N 3.22Å; G226-T230 PolarHBondContact O-OG1 3.32Å; G226-T230 VanDerWaalsContact O-OG1 3.06Å; G226-S346 WeakPolarHBondContact O-CB 3.27Å; G226-S346 PolarHBondContact O-N 3.43Å |
| 227 | Q | 97.1 | Very high | 95.3 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 175.2 | -66.6 | 179.2 | -40.5 | 0 | 0 | 112.9 | L182 T223 H224 L229 T230 V231 I343 P345 | L182-Q227 HydrophobicContact CD1-CB 3.92Å; L182-Q227 HydrophobicContact CD2-CB 4.23Å; T223-Q227 PolarHBondContact O-N 2.96Å; H224-Q227 PolarHBondContact O-N 3.21Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.37Å; Q227-T230 PolarHBondContact O-N 2.65Å; Q227-V231 PolarHBondContact O-N 3.34Å; Q227-V231 VanDerWaalsContact O-N 3.16Å; Q227-I343 HydrophobicContact CB-CG2 3.98Å; Q227-I343 HydrophobicContact CG-CG2 4.11Å; Q227-I343 PolarHBondContact NE2-O 3.29Å; Q227-P345 HydrophobicContact CG-CB 4.09Å |
| 228 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 173.5 | -59.5 | -25.2 | 0 | 0 | 0 | 111.7 | L182 L185 F186 C189 F220 H224 V225 G226 V231 Y232 Y236 F294 | L182-F228 HydrophobicContact CD1-CD1 3.85Å; L182-F228 HydrophobicContact CD1-CE1 3.56Å; L182-F228 HydrophobicContact CG-CD1 4.26Å; L182-F228 HydrophobicContact CG-CE1 4.1Å; L185-F228 HydrophobicContact CB-CE1 4.34Å; L185-F228 HydrophobicContact CB-CZ 3.98Å; F186-F228 VanDerWaalsContact CA-CZ 3.49Å; F186-F228 HydrophobicContact CB-CD1 4.06Å; F186-F228 HydrophobicContact CB-CE1 3.64Å; F186-F228 HydrophobicContact CB-CZ 4Å; F186-F228 HydrophobicContact CD2-CB 4.47Å; F186-F228 HydrophobicContact CD2-CD1 4.06Å; F186-F228 HydrophobicContact CD2-CD2 4.15Å; F186-F228 HydrophobicContact CD2-CE1 4.31Å; F186-F228 HydrophobicContact CD2-CE2 4.4Å; F186-F228 AromaticContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CG 3.98Å; F186-F228 HydrophobicContact CD2-CZ 4.48Å; F186-F228 HydrophobicContact CG-CE1 4.49Å; C189-F228 HydrophobicContact CB-CE2 3.92Å; C189-F228 HydrophobicContact CB-CZ 4.41Å; F220-F228 AromaticContact CE2-CE2 3.66Å; F220-F228 HydrophobicContact CE2-CE2 3.66Å; F220-F228 AromaticContact CE2-CZ 3.71Å; F220-F228 HydrophobicContact CE2-CZ 3.71Å; F220-F228 AromaticContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CE2 3.85Å; F220-F228 HydrophobicContact CZ-CZ 4.35Å; H224-F228 WeakPolarHBondContact O-CD1 3.43Å; H224-F228 VanDerWaalsContact O-CG 3.24Å; H224-F228 WeakPolarHBondContact O-CG 3.46Å; H224-F228 PolarHBondContact O-N 2.87Å; V225-F228 WeakPolarHBondContact O-CB 3.5Å; V225-F228 PolarHBondContact O-N 3.42Å; G226-F228 PolarHBondContact O-N 3.24Å; F228-V231 PolarHBondContact O-N 3.24Å; F228-Y232 PolarHBondContact O-N 2.88Å; F228-Y236 HydrophobicContact CD2-CE2 4.23Å; F228-F294 HydrophobicContact CB-CE2 4.45Å; F228-F294 HydrophobicContact CD1-CE2 4.26Å; F228-F294 AromaticContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CE1-CZ 4.46Å |
| 229 | L | 95.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 174.8 | -69.6 | -176.4 | 0 | 0 | 0 | 112.5 | V225 G226 Q227 V231 Y232 P233 V235 L238 | V225-L229 PolarHBondContact O-N 3.1Å; V225-L229 VanDerWaalsContact O-N 3.12Å; G226-L229 PolarHBondContact O-N 3.24Å; Q227-L229 VanDerWaalsContact C-N 3.32Å; Q227-L229 PolarHBondContact O-N 3.37Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.33Å; L229-Y232 CarbonylContact O-C 3.56Å; L229-P233 WeakPolarHBondContact O-CA 3.48Å; L229-P233 WeakPolarHBondContact O-CD 3.4Å; L229-P233 VanDerWaalsContact O-CG 3.31Å; L229-P233 WeakPolarHBondContact O-CG 3.47Å; L229-P233 VanDerWaalsContact O-N 3.16Å; L229-V235 HydrophobicContact CD2-CG1 4.15Å; L229-L238 HydrophobicContact CD1-CD1 3.56Å; L229-L238 HydrophobicContact CD1-CG 4.11Å; L229-L238 HydrophobicContact CG-CD1 4.47Å |
| 230 | T | 95.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175 | -48.2 | 0 | 0 | 0 | 0 | 112 | G226 Q227 I343 V344 S346 | G226-T230 PolarHBondContact O-N 3.22Å; G226-T230 PolarHBondContact O-OG1 3.32Å; G226-T230 VanDerWaalsContact O-OG1 3.06Å; Q227-T230 PolarHBondContact O-N 2.65Å; T230-I343 HydrophobicContact CG2-CG2 3.91Å; T230-V344 WeakPolarHBondContact CB-O 3.33Å; T230-V344 WeakPolarHBondContact CG2-O 3.39Å; T230-V344 PolarHBondContact OG1-O 3.11Å; T230-S346 PolarHBondContact OG1-N 2.94Å |
| 231 | V | 95.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78.9 | -38.4 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | L182 Q227 F228 L229 F294 L297 L298 I343 | L182-V231 HydrophobicContact CD2-CG2 4.31Å; Q227-V231 PolarHBondContact O-N 3.34Å; Q227-V231 VanDerWaalsContact O-N 3.16Å; F228-V231 PolarHBondContact O-N 3.24Å; L229-V231 VanDerWaalsContact C-N 3.33Å; L229-V231 PolarHBondContact O-N 3.33Å; V231-F294 HydrophobicContact CB-CD2 4.35Å; V231-F294 HydrophobicContact CB-CE2 3.65Å; V231-F294 HydrophobicContact CB-CZ 4.08Å; V231-F294 HydrophobicContact CG1-CD2 3.85Å; V231-F294 HydrophobicContact CG1-CE2 3.59Å; V231-F294 HydrophobicContact CG1-CG 4.49Å; V231-F294 HydrophobicContact CG1-CZ 4.03Å; V231-F294 HydrophobicContact CG2-CE2 4.4Å; V231-F294 HydrophobicContact CG2-CZ 4.34Å; V231-L297 HydrophobicContact CG1-CB 3.76Å; V231-L298 HydrophobicContact CG1-CD2 3.94Å; V231-L298 HydrophobicContact CG1-CG 4.26Å; V231-L298 HydrophobicContact CG2-CD2 3.9Å; V231-I343 HydrophobicContact CG2-CD1 3.56Å; V231-I343 HydrophobicContact CG2-CG1 4.36Å; V231-I343 HydrophobicContact CG2-CG2 4.21Å |
| 232 | Y | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | trans | -141.8 | 74 | -169.9 | -171 | -167.2 | 0 | 0 | 0 | 110.7 | F186 F228 L229 M234 V235 D266 R293 F294 L297 | F186-Y232 HydrophobicContact CZ-CD1 4.37Å; F228-Y232 PolarHBondContact O-N 2.88Å; L229-Y232 CarbonylContact O-C 3.56Å; Y232-M234 PolarHBondContact O-N 3.28Å; Y232-V235 HydrophobicContact CD1-CB 3.53Å; Y232-V235 HydrophobicContact CD1-CG1 4.42Å; Y232-V235 HydrophobicContact CD1-CG2 3.43Å; Y232-V235 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V235 HydrophobicContact CD2-CB 4.28Å; Y232-V235 HydrophobicContact CE1-CB 3.86Å; Y232-V235 HydrophobicContact CE1-CG2 3.51Å; Y232-V235 HydrophobicContact CG-CB 3.75Å; Y232-V235 HydrophobicContact CG-CG1 4.47Å; Y232-V235 HydrophobicContact CG-CG2 4.19Å; Y232-V235 VanDerWaalsContact O-CB 3.25Å; Y232-V235 WeakPolarHBondContact O-CB 3.47Å; Y232-V235 WeakPolarHBondContact O-CG1 3.41Å; Y232-V235 PolarHBondContact O-N 2.87Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; Y232-D266 HydrophobicContact CE2-CB 4.45Å; Y232-D266 VanDerWaalsContact CE2-O 3.29Å; Y232-D266 WeakPolarHBondContact CE2-O 3.38Å; Y232-D266 WeakPolarHBondContact OH-CB 3.35Å; Y232-D266 PolarHBondContact OH-O 3.37Å; Y232-D266 PolarHBondContact OH-OD2 2.81Å; Y232-R293 HydrophobicContact CE1-CB 4.41Å; Y232-R293 HydrophobicContact CE1-CG 4.26Å; Y232-R293 HydrophobicContact CE2-CG 3.98Å; Y232-F294 HydrophobicContact CD1-CB 4.45Å; Y232-F294 HydrophobicContact CD1-CD2 4.01Å; Y232-F294 HydrophobicContact CG-CD2 4.43Å; Y232-L297 HydrophobicContact CD2-CD1 3.91Å; Y232-L297 HydrophobicContact CG-CD1 3.92Å | ||
| 233 | P | 93.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 43.3 Ų | 43.3 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.6 | -168 | -27.3 | 33.4 | 0 | 0 | 0 | 115.7 | L160 L162 L229 V235 | L160-P233 HydrophobicContact CD2-CG 4.44Å; L162-P233 HydrophobicContact CD1-CG 4.19Å; L229-P233 WeakPolarHBondContact O-CA 3.48Å; L229-P233 WeakPolarHBondContact O-CD 3.4Å; L229-P233 VanDerWaalsContact O-CG 3.31Å; L229-P233 WeakPolarHBondContact O-CG 3.47Å; L229-P233 VanDerWaalsContact O-N 3.16Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 3.46Å |
| 234 | M | 90.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 6.7 | -174.8 | -53.5 | -171.1 | 81.9 | 0 | 0 | 113.9 | Y232 N262 T265 | Y232-M234 PolarHBondContact O-N 3.28Å; M234-N262 WeakPolarHBondContact O-CB 3.49Å; M234-N262 PolarHBondContact O-ND2 3.02Å; M234-T265 WeakPolarHBondContact CE-O 3.26Å |
| 235 | V | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -77.5 | -36.9 | -167.3 | 71.5 | 0 | 0 | 0 | 0 | 115 | F186 L229 Y232 P233 N262 R290 | F186-V235 HydrophobicContact CE2-CG2 3.67Å; F186-V235 HydrophobicContact CZ-CG2 3.76Å; L229-V235 HydrophobicContact CD2-CG1 4.15Å; Y232-V235 HydrophobicContact CD1-CB 3.53Å; Y232-V235 HydrophobicContact CD1-CG1 4.42Å; Y232-V235 HydrophobicContact CD1-CG2 3.43Å; Y232-V235 VanDerWaalsContact CD1-CG2 3.43Å; Y232-V235 HydrophobicContact CD2-CB 4.28Å; Y232-V235 HydrophobicContact CE1-CB 3.86Å; Y232-V235 HydrophobicContact CE1-CG2 3.51Å; Y232-V235 HydrophobicContact CG-CB 3.75Å; Y232-V235 HydrophobicContact CG-CG1 4.47Å; Y232-V235 HydrophobicContact CG-CG2 4.19Å; Y232-V235 VanDerWaalsContact O-CB 3.25Å; Y232-V235 WeakPolarHBondContact O-CB 3.47Å; Y232-V235 WeakPolarHBondContact O-CG1 3.41Å; Y232-V235 PolarHBondContact O-N 2.87Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; P233-V235 VanDerWaalsContact C-N 3.33Å; P233-V235 PolarHBondContact O-N 3.46Å; V235-N262 PolarHBondContact O-N 3.46Å; V235-R290 VanDerWaalsContact CG2-NH2 3.26Å; V235-R290 PolarHBondContact O-NH1 2.98Å; V235-R290 PolarHBondContact O-NH2 2.97Å |
| 236 | Y | 95.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.6 | -179.9 | -61.1 | -58.8 | 0 | 0 | 0 | 110.5 | F186 D190 V193 F228 L259 S260 P261 | F186-Y236 HydrophobicContact CE2-CE2 4.31Å; D190-Y236 WeakPolarHBondContact CA-OH 3.47Å; D190-Y236 PolarHBondContact N-OH 3Å; D190-Y236 PolarHBondContact OD1-OH 3.46Å; V193-Y236 HydrophobicContact CB-CE1 4.37Å; V193-Y236 HydrophobicContact CG1-CE1 4.03Å; V193-Y236 HydrophobicContact CG2-CE1 4.19Å; F228-Y236 HydrophobicContact CD2-CE2 4.23Å; Y236-L259 HydrophobicContact CD1-CB 4.4Å; Y236-L259 HydrophobicContact CD2-CD2 4.24Å; Y236-L259 HydrophobicContact CE2-CD2 4.2Å; Y236-S260 CarbonylContact C-O 3.17Å; Y236-S260 WeakPolarHBondContact CA-O 3.23Å; Y236-P261 HydrophobicContact CD1-CB 4.43Å |
| 237 | F | 94.3 | Very high | 89.2 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.553 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.3 | 160.3 | -58.7 | -72.7 | 0 | 0 | 0 | 108.6 | S260 N262 | F237-S260 PolarHBondContact N-O 2.83Å; F237-S260 WeakPolarHBondContact O-CB 3.31Å; F237-S260 PolarHBondContact O-N 3.06Å; F237-N262 HydrophobicContact CD2-CB 4.07Å; F237-N262 HydrophobicContact CE2-CB 3.54Å; F237-N262 HydrophobicContact CZ-CB 4.1Å |
| 238 | L | 95.5 | Very high | 88.1 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.4 | 179.5 | -58.9 | -168 | 0 | 0 | 0 | 111.2 | V225 L229 L257 L259 L348 P349 | V225-L238 HydrophobicContact CG1-CD1 3.97Å; V225-L238 HydrophobicContact CG1-CD2 4.07Å; L229-L238 HydrophobicContact CD1-CD1 3.56Å; L229-L238 HydrophobicContact CD1-CG 4.11Å; L229-L238 HydrophobicContact CG-CD1 4.47Å; L238-L257 HydrophobicContact CB-CD1 4.21Å; L238-L257 HydrophobicContact CD1-CD1 4.45Å; L238-L259 HydrophobicContact CD2-CB 4.34Å; L238-L259 HydrophobicContact CD2-CD1 4.17Å; L238-L259 HydrophobicContact CD2-CG 3.73Å; L238-L348 HydrophobicContact CD1-CD2 3.6Å; L238-P349 HydrophobicContact CB-CG 3.71Å |
| 239 | R | 93.9 | Very high | 86.6 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 40% | 0.404 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.4 | 172.7 | 62.6 | -171 | -173.7 | 77.4 | 6.4 | 110.3 | E241 V258 | R239-E241 IonicContact CZ-OE2 3.02Å; R239-E241 IonicContact NH1-OE2 3.47Å; R239-E241 PolarHBondContact NH1-OE2 2.8Å; R239-E241 IonicContact NH2-OE2 2.72Å; R239-E241 PolarHBondContact NH2-OE2 3.24Å; R239-V258 HydrophobicContact CG-CB 4.11Å; R239-V258 PolarHBondContact N-O 2.93Å; R239-V258 WeakPolarHBondContact O-CB 3.41Å; R239-V258 PolarHBondContact O-N 2.93Å |
| 240 | Y | 92.6 | Very high | 85.2 | Confident | 35 Ų | 35 | 79 Ų | 79 | 14% | 0.137 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.1 | 169 | -84.5 | -83.8 | 0 | 0 | 0 | 110.7 | E222 V256 L257 P349 R351 | E222-Y240 PolarHBondContact OE2-OH 3.02Å; Y240-V256 WeakPolarHBondContact CA-O 3.49Å; Y240-V256 VanDerWaalsContact CD1-C 3.47Å; Y240-L257 HydrophobicContact CD1-CB 4.42Å; Y240-L257 HydrophobicContact CD2-CD1 4.27Å; Y240-L257 HydrophobicContact CE1-CB 3.9Å; Y240-L257 HydrophobicContact CE2-CD1 3.9Å; Y240-P349 HydrophobicContact CD2-CB 4.28Å; Y240-P349 WeakPolarHBondContact CE2-O 3.48Å; Y240-R351 HydrophobicContact CD1-CB 4.46Å; Y240-R351 HydrophobicContact CD1-CG 3.9Å; Y240-R351 HydrophobicContact CD2-CB 4.3Å; Y240-R351 HydrophobicContact CE1-CB 4.06Å; Y240-R351 HydrophobicContact CE1-CG 3.61Å; Y240-R351 HydrophobicContact CE2-CB 3.9Å; Y240-R351 HydrophobicContact CE2-CG 4.34Å; Y240-R351 HydrophobicContact CG-CG 4.36Å; Y240-R351 PolarHBondContact OH-NE 3.04Å; Y240-R351 VanDerWaalsContact OH-NE 3.09Å; Y240-R351 PolarHBondContact OH-NH2 3.43Å |
| 241 | E | 89.9 | Confident | 83.8 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.9 | 175.4 | -171 | 163 | 171.2 | 0 | 0 | 110.6 | L202 R239 Q243 Y255 V256 V258 | L202-E241 VanDerWaalsContact CD1-OE2 3.32Å; L202-E241 WeakPolarHBondContact CD1-OE2 3.47Å; L202-E241 HydrophobicContact CD2-CG 4.48Å; R239-E241 IonicContact CZ-OE2 3.02Å; R239-E241 IonicContact NH1-OE2 3.47Å; R239-E241 PolarHBondContact NH1-OE2 2.8Å; R239-E241 IonicContact NH2-OE2 2.72Å; R239-E241 PolarHBondContact NH2-OE2 3.24Å; E241-Q243 PolarHBondContact O-N 2.94Å; E241-Y255 CarbonylContact O-C 3.57Å; E241-Y255 WeakPolarHBondContact O-CA 3.4Å; E241-V256 PolarHBondContact N-O 3.36Å; E241-V256 PolarHBondContact O-N 3.17Å; E241-V258 HydrophobicContact CB-CG2 3.84Å |
| 242 | K | 86.3 | Confident | 82.5 | Confident | 95 Ų | 95 | 83 Ų | 83 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 127.7 | 179.1 | -71.4 | -174.8 | 172.9 | -174.2 | 0 | 110.1 | L251 Y255 | K242-L251 HydrophobicContact CB-CD2 4.03Å; K242-Y255 HydrophobicContact CD-CE1 4.04Å; K242-Y255 WeakPolarHBondContact CE-OH 3.44Å; K242-Y255 HydrophobicContact CG-CD1 3.69Å; K242-Y255 HydrophobicContact CG-CE1 3.44Å; K242-Y255 VanDerWaalsContact CG-CE1 3.44Å; K242-Y255 PolarHBondContact NZ-OH 3.1Å |
| 243 | Q | 79.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 85.1 Ų | 85.1 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 127.7 | 176.9 | -150.4 | -176.1 | 30.9 | 0 | 0 | 109.7 | D206 E241 N252 N254 V256 | D206-Q243 PolarHBondContact OD2-NE2 3.14Å; E241-Q243 PolarHBondContact O-N 2.94Å; Q243-N252 PolarHBondContact O-N 3.4Å; Q243-N252 VanDerWaalsContact O-N 3.16Å; Q243-N254 HydrophobicContact CB-CB 4.27Å; Q243-N254 PolarHBondContact N-O 3.1Å; Q243-V256 HydrophobicContact CB-CG2 4.06Å; Q243-V256 HydrophobicContact CG-CG2 3.98Å |
| 244 | F | 74 | Confident | 80.6 | Confident | 124 Ų | 124 | 86.8 Ų | 86.8 | 54% | 0.544 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 144.4 | 164.8 | -68.2 | -90.2 | 0 | 0 | 0 | 109.6 | R250 L251 | F244-R250 WeakPolarHBondContact CA-O 3.39Å; F244-L251 HydrophobicContact CD1-CD2 3.91Å; F244-L251 HydrophobicContact CE1-CD2 3.56Å; F244-L251 HydrophobicContact CE1-CG 4.29Å; F244-L251 HydrophobicContact CE2-CD2 4.3Å; F244-L251 HydrophobicContact CG-CD2 4.42Å; F244-L251 HydrophobicContact CZ-CD2 3.78Å |
| 245 | D | 72 | Confident | 80.4 | Confident | 32 Ų | 32 | 84.9 Ų | 84.9 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.4 | 169.2 | -168.6 | 26.9 | 0 | 0 | 0 | 111.5 | F247 T248 H249 R250 N252 | D245-F247 VanDerWaalsContact C-N 3.3Å; D245-F247 PolarHBondContact O-N 3.24Å; D245-T248 VanDerWaalsContact CB-OG1 3.27Å; D245-T248 WeakPolarHBondContact CB-OG1 3.31Å; D245-T248 VanDerWaalsContact OD2-CB 3.3Å; D245-T248 WeakPolarHBondContact OD2-CB 3.28Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.46Å; D245-T248 PolarHBondContact OD2-N 3.26Å; D245-T248 PolarHBondContact OD2-OG1 3.43Å; D245-H249 WeakPolarHBondContact O-CA 3.42Å; D245-H249 PolarHBondContact O-N 2.9Å; D245-R250 PolarHBondContact N-O 3.37Å; D245-N252 WeakPolarHBondContact CA-ND2 3.23Å; D245-N252 WeakPolarHBondContact CB-ND2 3.47Å; D245-N252 WeakPolarHBondContact CB-OD1 3.49Å; D245-N252 PolarHBondContact OD1-ND2 3.39Å |
| 246 | K | 70 | Confident | 80.3 | Confident | 171 Ų | 171 | 86 Ų | 86 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.1 | 178.7 | -65.3 | -177.9 | -177.9 | 176.8 | 0 | 112.6 | ||
| 247 | F | 72.6 | Confident | 80.2 | Confident | 185 Ų | 185 | 85.7 Ų | 85.7 | 81% | 0.811 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -49.9 | -174.4 | -60.2 | -75.1 | 0 | 0 | 0 | 113 | D245 | D245-F247 VanDerWaalsContact C-N 3.3Å; D245-F247 PolarHBondContact O-N 3.24Å |
| 248 | T | 73.7 | Confident | 80.3 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.7 | -177.6 | 64.8 | 0 | 0 | 0 | 0 | 114 | D245 R250 | D245-T248 VanDerWaalsContact CB-OG1 3.27Å; D245-T248 WeakPolarHBondContact CB-OG1 3.31Å; D245-T248 VanDerWaalsContact OD2-CB 3.3Å; D245-T248 WeakPolarHBondContact OD2-CB 3.28Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.46Å; D245-T248 PolarHBondContact OD2-N 3.26Å; D245-T248 PolarHBondContact OD2-OG1 3.43Å; T248-R250 PolarHBondContact O-N 2.91Å; T248-R250 PolarHBondContact OG1-N 2.95Å |
| 249 | H | 66.6 | Low | 80.4 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 67% | 0.671 | 37% | 0.372 | S | S | * | . | trans | 52.5 | 16.8 | -169.2 | -65.4 | -73.3 | 0 | 0 | 0 | 114.9 | D245 | D245-H249 WeakPolarHBondContact O-CA 3.42Å; D245-H249 PolarHBondContact O-N 2.9Å | ||
| 250 | R | 66.4 | Low | 80.4 | Confident | 186 Ų | 186 | 75 Ų | 75 | 70% | 0.702 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -84.9 | 159.9 | 177.2 | -66.2 | 173.5 | -174.4 | -118.2 | -3.1 | 110.5 | F244 D245 T248 N252 | F244-R250 WeakPolarHBondContact CA-O 3.39Å; D245-R250 PolarHBondContact N-O 3.37Å; T248-R250 PolarHBondContact O-N 2.91Å; T248-R250 PolarHBondContact OG1-N 2.95Å; R250-N252 PolarHBondContact O-N 2.96Å |
| 251 | L | 66.9 | Low | 80.5 | Confident | 100 Ų | 100 | 74 Ų | 74 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 112.2 | 172.4 | -65.2 | 170.9 | 0 | 0 | 0 | 108.7 | K242 F244 G253 | K242-L251 HydrophobicContact CB-CD2 4.03Å; F244-L251 HydrophobicContact CD1-CD2 3.91Å; F244-L251 HydrophobicContact CE1-CD2 3.56Å; F244-L251 HydrophobicContact CE1-CG 4.29Å; F244-L251 HydrophobicContact CE2-CD2 4.3Å; F244-L251 HydrophobicContact CG-CD2 4.42Å; F244-L251 HydrophobicContact CZ-CD2 3.78Å; L251-G253 PolarHBondContact O-N 2.85Å; L251-G253 VanDerWaalsContact O-N 3.08Å |
| 252 | N | 67.5 | Low | 80.6 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 8.3 | -176.9 | -87.4 | -10.8 | 0 | 0 | 0 | 114 | Q243 D245 R250 N254 | Q243-N252 PolarHBondContact O-N 3.4Å; Q243-N252 VanDerWaalsContact O-N 3.16Å; D245-N252 WeakPolarHBondContact CA-ND2 3.23Å; D245-N252 WeakPolarHBondContact CB-ND2 3.47Å; D245-N252 WeakPolarHBondContact CB-OD1 3.49Å; D245-N252 PolarHBondContact OD1-ND2 3.39Å; R250-N252 PolarHBondContact O-N 2.96Å; N252-N254 PolarHBondContact O-N 3.09Å |
| 253 | G | 69.5 | Low | 80.8 | Confident | 48 Ų | 48 | 67 Ų | 67 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.2 | -32.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | L251 Y255 | L251-G253 PolarHBondContact O-N 2.85Å; L251-G253 VanDerWaalsContact O-N 3.08Å; G253-Y255 VanDerWaalsContact O-CD2 3.29Å; G253-Y255 WeakPolarHBondContact O-CD2 3.31Å; G253-Y255 WeakPolarHBondContact O-CE2 3.43Å |
| 254 | N | 80.3 | Confident | 81 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 137.6 | 176.7 | -64.2 | -14.4 | 0 | 0 | 0 | 112.3 | Q243 N252 | Q243-N254 HydrophobicContact CB-CB 4.27Å; Q243-N254 PolarHBondContact N-O 3.1Å; N252-N254 PolarHBondContact O-N 3.09Å |
| 255 | Y | 87.1 | Confident | 81.4 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 13% | 0.129 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.6 | 170.5 | -62.3 | -97.8 | 0 | 0 | 0 | 109.2 | E241 K242 G253 P352 E356 | E241-Y255 CarbonylContact O-C 3.57Å; E241-Y255 WeakPolarHBondContact O-CA 3.4Å; K242-Y255 HydrophobicContact CD-CE1 4.04Å; K242-Y255 WeakPolarHBondContact CE-OH 3.44Å; K242-Y255 HydrophobicContact CG-CD1 3.69Å; K242-Y255 HydrophobicContact CG-CE1 3.44Å; K242-Y255 VanDerWaalsContact CG-CE1 3.44Å; K242-Y255 PolarHBondContact NZ-OH 3.1Å; G253-Y255 VanDerWaalsContact O-CD2 3.29Å; G253-Y255 WeakPolarHBondContact O-CD2 3.31Å; G253-Y255 WeakPolarHBondContact O-CE2 3.43Å; Y255-P352 HydrophobicContact CD1-CB 4.03Å; Y255-P352 HydrophobicContact CD1-CG 3.76Å; Y255-P352 HydrophobicContact CD2-CB 4.34Å; Y255-P352 HydrophobicContact CE1-CB 3.61Å; Y255-P352 HydrophobicContact CE1-CG 3.72Å; Y255-P352 HydrophobicContact CE2-CB 3.96Å; Y255-P352 HydrophobicContact CG-CB 4.37Å; Y255-P352 HydrophobicContact CG-CG 4.28Å; Y255-E356 PolarHBondContact OH-OE1 2.98Å |
| 256 | V | 91.4 | Very high | 81.9 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.3 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | F205 D206 Y240 E241 Q243 | F205-V256 HydrophobicContact CB-CG1 4.4Å; D206-V256 HydrophobicContact CB-CG1 4.13Å; Y240-V256 WeakPolarHBondContact CA-O 3.49Å; Y240-V256 VanDerWaalsContact CD1-C 3.47Å; E241-V256 PolarHBondContact N-O 3.36Å; E241-V256 PolarHBondContact O-N 3.17Å; Q243-V256 HydrophobicContact CB-CG2 4.06Å; Q243-V256 HydrophobicContact CG-CG2 3.98Å |
| 257 | L | 94.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.4 | 175 | -177.5 | 66.3 | 0 | 0 | 0 | 110.3 | F205 E222 L238 Y240 L259 L348 | F205-L257 HydrophobicContact CB-CB 4.02Å; F205-L257 WeakPolarHBondContact CB-O 3.49Å; F205-L257 PolarHBondContact N-O 2.8Å; E222-L257 HydrophobicContact CB-CD2 4.42Å; E222-L257 HydrophobicContact CG-CD2 3.99Å; L238-L257 HydrophobicContact CB-CD1 4.21Å; L238-L257 HydrophobicContact CD1-CD1 4.45Å; Y240-L257 HydrophobicContact CD1-CB 4.42Å; Y240-L257 HydrophobicContact CD2-CD1 4.27Å; Y240-L257 HydrophobicContact CE1-CB 3.9Å; Y240-L257 HydrophobicContact CE2-CD1 3.9Å; L257-L259 HydrophobicContact CD2-CD1 4.24Å; L257-L259 HydrophobicContact CG-CD1 4.14Å; L257-L348 HydrophobicContact CD2-CD1 4.49Å |
| 258 | V | 95.9 | Very high | 82.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.4 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | L202 C203 R239 E241 | L202-V258 HydrophobicContact CD1-CB 4.46Å; L202-V258 HydrophobicContact CD1-CG1 3.6Å; L202-V258 HydrophobicContact CD1-CG2 3.97Å; L202-V258 HydrophobicContact CD2-CG2 4.1Å; L202-V258 HydrophobicContact CG-CG1 4.21Å; L202-V258 HydrophobicContact CG-CG2 4.09Å; C203-V258 WeakPolarHBondContact O-CA 3.36Å; R239-V258 HydrophobicContact CG-CB 4.11Å; R239-V258 PolarHBondContact N-O 2.93Å; R239-V258 WeakPolarHBondContact O-CB 3.41Å; R239-V258 PolarHBondContact O-N 2.93Å; E241-V258 HydrophobicContact CB-CG2 3.84Å |
| 259 | L | 96.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 99.5 | 178.2 | -77.4 | 68.6 | 0 | 0 | 0 | 109.3 | V193 C203 F205 I208 V225 Y236 L238 L257 | V193-L259 HydrophobicContact CG2-CB 4.34Å; V193-L259 HydrophobicContact CG2-CD2 4.45Å; C203-L259 WeakPolarHBondContact CB-O 3.33Å; C203-L259 PolarHBondContact O-N 3.14Å; F205-L259 HydrophobicContact CD2-CD1 4.24Å; I208-L259 HydrophobicContact CD1-CB 4.03Å; I208-L259 HydrophobicContact CD1-CD1 4.25Å; I208-L259 HydrophobicContact CD1-CD2 4.2Å; I208-L259 HydrophobicContact CD1-CG 4.37Å; V225-L259 HydrophobicContact CG1-CD1 4.47Å; V225-L259 HydrophobicContact CG1-CD2 3.97Å; V225-L259 HydrophobicContact CG1-CG 4.21Å; V225-L259 HydrophobicContact CG2-CD2 4.18Å; Y236-L259 HydrophobicContact CD1-CB 4.4Å; Y236-L259 HydrophobicContact CD2-CD2 4.24Å; Y236-L259 HydrophobicContact CE2-CD2 4.2Å; L238-L259 HydrophobicContact CD2-CB 4.34Å; L238-L259 HydrophobicContact CD2-CD1 4.17Å; L238-L259 HydrophobicContact CD2-CG 3.73Å; L257-L259 HydrophobicContact CD2-CD1 4.24Å; L257-L259 HydrophobicContact CG-CD1 4.14Å |
| 260 | S | 94.6 | Very high | 82.4 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115.6 | 177.5 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | Y236 F237 N262 | Y236-S260 CarbonylContact C-O 3.17Å; Y236-S260 WeakPolarHBondContact CA-O 3.23Å; F237-S260 PolarHBondContact N-O 2.83Å; F237-S260 WeakPolarHBondContact O-CB 3.31Å; F237-S260 PolarHBondContact O-N 3.06Å; S260-N262 PolarHBondContact O-N 3.44Å |
| 261 | P | 94.8 | Very high | 81.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.078 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.4 | -175.5 | 28.1 | -34.4 | 0 | 0 | 0 | 112 | V193 H197 Y236 L263 F282 | V193-P261 HydrophobicContact CG1-CB 3.92Å; V193-P261 HydrophobicContact CG1-CG 3.78Å; H197-P261 HydrophobicContact CB-CG 4.01Å; H197-P261 VanDerWaalsContact CD2-CG 3.42Å; H197-P261 WeakPolarHBondContact CD2-CG 3.43Å; Y236-P261 HydrophobicContact CD1-CB 4.43Å; P261-L263 HydrophobicContact CB-CD2 4.28Å; P261-L263 HydrophobicContact CB-CG 4.28Å; P261-L263 PolarHBondContact O-N 2.71Å; P261-F282 HydrophobicContact CB-CD1 3.9Å; P261-F282 HydrophobicContact CB-CE1 3.64Å; P261-F282 HydrophobicContact CG-CD1 3.92Å; P261-F282 HydrophobicContact CG-CE1 4.13Å |
| 262 | N | 92.3 | Very high | 81.3 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -77.8 | 105.9 | 170.2 | -176.5 | 5.6 | 0 | 0 | 0 | 109.5 | M234 V235 F237 S260 R264 T265 D266 R290 | M234-N262 WeakPolarHBondContact O-CB 3.49Å; M234-N262 PolarHBondContact O-ND2 3.02Å; V235-N262 PolarHBondContact O-N 3.46Å; F237-N262 HydrophobicContact CD2-CB 4.07Å; F237-N262 HydrophobicContact CE2-CB 3.54Å; F237-N262 HydrophobicContact CZ-CB 4.1Å; S260-N262 PolarHBondContact O-N 3.44Å; N262-R264 PolarHBondContact OD1-N 3.44Å; N262-R264 VanDerWaalsContact OD1-N 3.11Å; N262-T265 VanDerWaalsContact ND2-C 3.34Å; N262-T265 PolarHBondContact ND2-OG1 3.39Å; N262-T265 PolarHBondContact OD1-N 2.86Å; N262-T265 PolarHBondContact OD1-OG1 3.48Å; N262-D266 HydrophobicContact CB-CB 4.42Å; N262-D266 PolarHBondContact ND2-N 2.95Å; N262-D266 WeakPolarHBondContact O-CB 3.36Å; N262-R290 PolarHBondContact O-NH1 3.39Å | ||
| 263 | L | 89.5 | Confident | 80.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | trans | -104.7 | 9 | 178.2 | -58 | 176.6 | 0 | 0 | 0 | 113 | P261 L280 F282 R286 | P261-L263 HydrophobicContact CB-CD2 4.28Å; P261-L263 HydrophobicContact CB-CG 4.28Å; P261-L263 PolarHBondContact O-N 2.71Å; L263-L280 HydrophobicContact CB-CB 4.24Å; L263-L280 HydrophobicContact CB-CD2 4.19Å; L263-L280 HydrophobicContact CD1-CB 4.32Å; L263-L280 WeakPolarHBondContact CD1-O 3.37Å; L263-L280 WeakPolarHBondContact O-CD2 3.26Å; L263-F282 HydrophobicContact CD1-CB 3.78Å; L263-F282 HydrophobicContact CD1-CD1 4.26Å; L263-F282 HydrophobicContact CD1-CG 4.03Å; L263-F282 HydrophobicContact CD2-CB 4.43Å; L263-F282 HydrophobicContact CD2-CD1 3.94Å; L263-F282 HydrophobicContact CD2-CD2 3.87Å; L263-F282 HydrophobicContact CD2-CE1 4.13Å; L263-F282 HydrophobicContact CD2-CE2 4.04Å; L263-F282 HydrophobicContact CD2-CG 3.81Å; L263-F282 HydrophobicContact CD2-CZ 4.16Å; L263-R286 PolarHBondContact O-NH2 2.83Å | ||
| 264 | R | 84.2 | Confident | 80.1 | Confident | 122 Ų | 122 | 52.5 Ų | 52.5 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -112.7 | -49.8 | -176.3 | -73.7 | -177.3 | 163.6 | 85.9 | 4.6 | 113 | N262 G278 L280 | N262-R264 PolarHBondContact OD1-N 3.44Å; N262-R264 VanDerWaalsContact OD1-N 3.11Å; R264-G278 PolarHBondContact NH2-O 3.49Å; R264-L280 HydrophobicContact CG-CD2 3.89Å; R264-L280 VanDerWaalsContact NH2-CD1 3.3Å |
| 265 | T | 83 | Confident | 79 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -124.4 | 22.5 | -169.8 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | M234 N262 G267 | M234-T265 WeakPolarHBondContact CE-O 3.26Å; N262-T265 VanDerWaalsContact ND2-C 3.34Å; N262-T265 PolarHBondContact ND2-OG1 3.39Å; N262-T265 PolarHBondContact OD1-N 2.86Å; N262-T265 PolarHBondContact OD1-OG1 3.48Å; T265-G267 PolarHBondContact O-N 3.45Å |
| 266 | D | 82.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -74.6 | -0.3 | 176.4 | 76.2 | -12 | 0 | 0 | 0 | 113.6 | Y232 N262 T268 R290 | Y232-D266 HydrophobicContact CE2-CB 4.45Å; Y232-D266 VanDerWaalsContact CE2-O 3.29Å; Y232-D266 WeakPolarHBondContact CE2-O 3.38Å; Y232-D266 WeakPolarHBondContact OH-CB 3.35Å; Y232-D266 PolarHBondContact OH-O 3.37Å; Y232-D266 PolarHBondContact OH-OD2 2.81Å; N262-D266 HydrophobicContact CB-CB 4.42Å; N262-D266 PolarHBondContact ND2-N 2.95Å; N262-D266 WeakPolarHBondContact O-CB 3.36Å; D266-T268 VanDerWaalsContact C-N 3.27Å; D266-T268 PolarHBondContact O-N 3.24Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 PolarHBondContact OD1-N 3.04Å; D266-T268 PolarHBondContact OD1-OG1 3.47Å; D266-T268 PolarHBondContact OD2-OG1 3.33Å; D266-R290 WeakPolarHBondContact OD2-CD 3.31Å; D266-R290 WeakPolarHBondContact OD2-CG 3.24Å; D266-R290 IonicContact OD2-CZ 3.18Å; D266-R290 IonicContact OD2-NE 3.15Å; D266-R290 IonicContact OD2-NH1 2.75Å; D266-R290 PolarHBondContact OD2-NH1 3.39Å |
| 267 | G | 77.1 | Confident | 76.3 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 79 | 6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T265 | T265-G267 PolarHBondContact O-N 3.45Š|
| 268 | T | 81.1 | Confident | 75.3 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -88.1 | 144.3 | 169.9 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | D266 V270 R286 Q289 R290 R293 | D266-T268 VanDerWaalsContact C-N 3.27Å; D266-T268 PolarHBondContact O-N 3.24Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 PolarHBondContact OD1-N 3.04Å; D266-T268 PolarHBondContact OD1-OG1 3.47Å; D266-T268 PolarHBondContact OD2-OG1 3.33Å; T268-V270 PolarHBondContact O-N 3.44Å; T268-V270 VanDerWaalsContact O-N 3.13Å; T268-R286 PolarHBondContact O-NH1 3.25Å; T268-R286 PolarHBondContact OG1-NH1 2.71Å; T268-Q289 HydrophobicContact CG2-CB 3.87Å; T268-Q289 PolarHBondContact OG1-OE1 3.2Å; T268-R290 HydrophobicContact CG2-CG 3.98Å; T268-R293 HydrophobicContact CG2-CB 4.36Å |
| 269 | K | 70.7 | Confident | 74.8 | Confident | 125 Ų | 125 | 69 Ų | 69 | 54% | 0.543 | 39% | 0.391 | S | S | . | . | trans | -63.6 | 114.8 | -171 | -64.4 | -169.4 | 177.5 | -173.5 | 0 | 112 | D166 G271 R286 Q289 | D166-K269 WeakPolarHBondContact OD1-CE 3.32Å; D166-K269 IonicContact OD1-NZ 3.28Å; D166-K269 PolarHBondContact OD1-NZ 2.95Å; D166-K269 WeakPolarHBondContact OD2-CE 3.38Å; D166-K269 IonicContact OD2-NZ 3.36Å; D166-K269 PolarHBondContact OD2-NZ 2.78Å; K269-G271 PolarHBondContact O-N 3.37Å; K269-R286 PolarHBondContact O-NH1 3.49Å; K269-Q289 PolarHBondContact O-NE2 2.97Å; K269-Q289 PolarHBondContact O-OE1 3.25Å | ||
| 270 | V | 65.3 | Low | 74.3 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | trans | -56.5 | 121.4 | -176.1 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | T268 H272 S274 | T268-V270 PolarHBondContact O-N 3.44Å; T268-V270 VanDerWaalsContact O-N 3.13Å; V270-H272 PolarHBondContact O-N 2.85Å; V270-S274 WeakPolarHBondContact CG1-OG 3.35Å | ||
| 271 | G | 55.7 | Low | 74 | Confident | 30 Ų | 30 | 71.9 Ų | 71.9 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | trans | -61.2 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K269 D273 S274 | K269-G271 PolarHBondContact O-N 3.37Å; G271-D273 PolarHBondContact O-N 3.12Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.35Å; G271-S274 VanDerWaalsContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 2.88Å | ||
| 272 | H | 54.5 | Low | 73.9 | Confident | 190 Ų | 190 | 71.3 Ų | 71.3 | 88% | 0.88 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15 | -169 | -163.9 | -70.9 | 0 | 0 | 0 | 114 | V270 | V270-H272 PolarHBondContact O-N 2.85Š|
| 273 | D | 53.4 | Low | 73.8 | Confident | 152 Ų | 152 | 73.1 Ų | 73.1 | 81% | 0.813 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.4 | -178.6 | -39.1 | -68.2 | 0 | 0 | 0 | 113.7 | G271 P275 | G271-D273 PolarHBondContact O-N 3.12Å; D273-P275 WeakPolarHBondContact O-CD 3.47Å |
| 274 | S | 57 | Low | 73.9 | Confident | 38 Ų | 38 | 75 Ų | 75 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | trans | -83.6 | 107.4 | -174.8 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | V270 G271 S276 | V270-S274 WeakPolarHBondContact CG1-OG 3.35Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.35Å; G271-S274 VanDerWaalsContact O-N 3.08Å; G271-S274 PolarHBondContact O-OG 2.88Å; S274-S276 PolarHBondContact O-N 3.39Å | ||
| 275 | P | 57 | Low | 74.2 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | trans | -67.4 | 136.2 | 175.3 | 30.1 | -35.8 | 0 | 0 | 0 | 110.4 | D273 K277 | D273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-K277 PolarHBondContact O-N 3.15Å | ||
| 276 | S | 62.9 | Low | 74.5 | Confident | 121 Ų | 121 | 70.2 Ų | 70.2 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -59.2 | -22.8 | -174.1 | -40.9 | 0 | 0 | 0 | 0 | 113.5 | S274 | S274-S276 PolarHBondContact O-N 3.39Š|
| 277 | K | 60 | Low | 75 | Confident | 172 Ų | 172 | 71.8 Ų | 71.8 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -129.3 | 140.9 | 169.8 | -63.5 | -179.2 | -179.3 | 179.1 | 0 | 109 | P275 | P275-K277 PolarHBondContact O-N 3.15Š|
| 278 | G | 73.8 | Confident | 75.8 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 50% | 0.495 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 130.4 | -175.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R264 | R264-G278 PolarHBondContact NH2-O 3.49Š|
| 279 | F | 85 | Confident | 76.3 | Confident | 88 Ų | 88 | 75.9 Ų | 75.9 | 39% | 0.386 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 127.2 | 171 | 174.4 | -93.3 | 0 | 0 | 0 | 109.7 | H197 K200 | H197-F279 AromaticContact CE1-CE2 3.37Å; H197-F279 WeakPolarHBondContact CE1-CE2 3.22Å; H197-F279 AromaticContact CE1-CZ 3.71Å; H197-F279 AromaticContact ND1-CE2 3.79Å; H197-F279 AromaticContact ND1-CZ 3.79Å; H197-F279 AromaticContact NE2-CE2 3.82Å; H197-F279 WeakPolarHBondContact O-CE2 3.45Å; H197-F279 WeakPolarHBondContact O-CZ 3.43Å; K200-F279 HydrophobicContact CG-CD2 4.35Å; K200-F279 HydrophobicContact CG-CE2 3.95Å; K200-F279 HydrophobicContact CG-CZ 4.19Å |
| 280 | L | 86.7 | Confident | 77.5 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 122.9 | 176.1 | -90.6 | 62.1 | 0 | 0 | 0 | 109.2 | H197 L263 R264 F282 | H197-L280 PolarHBondContact CE1-O 3.17Å; H197-L280 VanDerWaalsContact CE1-O 3.24Å; L263-L280 HydrophobicContact CB-CB 4.24Å; L263-L280 HydrophobicContact CB-CD2 4.19Å; L263-L280 HydrophobicContact CD1-CB 4.32Å; L263-L280 WeakPolarHBondContact CD1-O 3.37Å; L263-L280 WeakPolarHBondContact O-CD2 3.26Å; R264-L280 HydrophobicContact CG-CD2 3.89Å; R264-L280 VanDerWaalsContact NH2-CD1 3.3Å; L280-F282 PolarHBondContact O-N 3.27Å |
| 281 | P | 88.4 | Confident | 78.9 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 134 | 173.9 | 27.6 | -33.4 | 0 | 0 | 0 | 110.5 | S283 | P281-S283 VanDerWaalsContact C-N 3.31Å; P281-S283 PolarHBondContact O-N 3.13Å |
| 282 | F | 91.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 0% | 0.004 | 41% | 0.41 | C | S | . | . | trans | -81.2 | 79.9 | 174.4 | -161 | 157.3 | 0 | 0 | 0 | 108.9 | D190 V193 S194 N198 P261 L263 L280 R286 L287 | D190-F282 WeakPolarHBondContact OD1-CZ 3.37Å; D190-F282 WeakPolarHBondContact OD2-CZ 3.4Å; V193-F282 HydrophobicContact CG1-CE1 4.27Å; S194-F282 VanDerWaalsContact CA-CD1 3.48Å; S194-F282 PolarHBondContact OG-O 3.18Å; N198-F282 PolarHBondContact ND2-O 2.86Å; N198-F282 WeakPolarHBondContact OD1-CA 3.42Å; N198-F282 WeakPolarHBondContact OD1-CB 3.27Å; N198-F282 PolarHBondContact OD1-N 3.22Å; P261-F282 HydrophobicContact CB-CD1 3.9Å; P261-F282 HydrophobicContact CB-CE1 3.64Å; P261-F282 HydrophobicContact CG-CD1 3.92Å; P261-F282 HydrophobicContact CG-CE1 4.13Å; L263-F282 HydrophobicContact CD1-CB 3.78Å; L263-F282 HydrophobicContact CD1-CD1 4.26Å; L263-F282 HydrophobicContact CD1-CG 4.03Å; L263-F282 HydrophobicContact CD2-CB 4.43Å; L263-F282 HydrophobicContact CD2-CD1 3.94Å; L263-F282 HydrophobicContact CD2-CD2 3.87Å; L263-F282 HydrophobicContact CD2-CE1 4.13Å; L263-F282 HydrophobicContact CD2-CE2 4.04Å; L263-F282 HydrophobicContact CD2-CG 3.81Å; L263-F282 HydrophobicContact CD2-CZ 4.16Å; L280-F282 PolarHBondContact O-N 3.27Å; F282-R286 HydrophobicContact CD2-CB 3.9Å; F282-R286 HydrophobicContact CE2-CB 3.95Å; F282-L287 HydrophobicContact CD2-CD2 4.32Å; F282-L287 HydrophobicContact CD2-CG 4.15Å; F282-L287 HydrophobicContact CE2-CD2 3.56Å; F282-L287 HydrophobicContact CE2-CG 3.71Å; F282-L287 HydrophobicContact CZ-CD2 3.75Å; F282-L287 HydrophobicContact CZ-CG 4.41Å | ||
| 283 | S | 91 | Very high | 82.5 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | trans | -66.9 | 158.7 | -177.1 | 69 | 0 | 0 | 0 | 0 | 113.7 | P281 T285 R286 L287 | P281-S283 VanDerWaalsContact C-N 3.31Å; P281-S283 PolarHBondContact O-N 3.13Å; S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.47Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.72Å; S283-R286 WeakPolarHBondContact OG-CG 3.46Å; S283-R286 PolarHBondContact OG-N 3.23Å; S283-L287 PolarHBondContact O-N 2.65Å; S283-L287 VanDerWaalsContact O-N 3.14Å | ||
| 284 | G | 91.5 | Very high | 84.5 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -28.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L287 I288 | G284-L287 PolarHBondContact O-N 3.44Å; G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 2.95Å; G284-I288 VanDerWaalsContact O-N 3.12Å |
| 285 | T | 90.5 | Very high | 86.3 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.8 | -38.2 | 172.5 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | S283 I288 Q289 | S283-T285 PolarHBondContact O-N 2.95Å; S283-T285 PolarHBondContact OG-OG1 3.47Å; T285-I288 PolarHBondContact O-N 2.91Å; T285-Q289 VanDerWaalsContact O-CG 3.29Å; T285-Q289 WeakPolarHBondContact O-CG 3.46Å; T285-Q289 PolarHBondContact O-N 3.37Å |
| 286 | R | 89.7 | Confident | 88.1 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.038 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 172.5 | -69.8 | -56.9 | -146.6 | 169.8 | 15.5 | 112.1 | L263 T268 K269 F282 S283 I288 Q289 R290 | L263-R286 PolarHBondContact O-NH2 2.83Å; T268-R286 PolarHBondContact O-NH1 3.25Å; T268-R286 PolarHBondContact OG1-NH1 2.71Å; K269-R286 PolarHBondContact O-NH1 3.49Å; F282-R286 HydrophobicContact CD2-CB 3.9Å; F282-R286 HydrophobicContact CE2-CB 3.95Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.72Å; S283-R286 WeakPolarHBondContact OG-CG 3.46Å; S283-R286 PolarHBondContact OG-N 3.23Å; R286-I288 VanDerWaalsContact C-N 3.32Å; R286-I288 PolarHBondContact O-N 3.19Å; R286-Q289 VanDerWaalsContact CD-OE1 3.31Å; R286-Q289 PolarHBondContact O-N 2.92Å; R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 WeakPolarHBondContact O-CG 3.25Å; R286-R290 PolarHBondContact O-N 3.17Å |
| 287 | L | 93.2 | Very high | 89.5 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56 | -46 | 175.5 | -76.2 | 172.4 | 0 | 0 | 0 | 111.9 | D190 F282 S283 G284 R291 | D190-L287 HydrophobicContact CB-CD2 4.09Å; D190-L287 WeakPolarHBondContact O-CD2 3.45Å; F282-L287 HydrophobicContact CD2-CD2 4.32Å; F282-L287 HydrophobicContact CD2-CG 4.15Å; F282-L287 HydrophobicContact CE2-CD2 3.56Å; F282-L287 HydrophobicContact CE2-CG 3.71Å; F282-L287 HydrophobicContact CZ-CD2 3.75Å; F282-L287 HydrophobicContact CZ-CG 4.41Å; S283-L287 PolarHBondContact O-N 2.65Å; S283-L287 VanDerWaalsContact O-N 3.14Å; G284-L287 PolarHBondContact O-N 3.44Å; L287-R291 VanDerWaalsContact O-CB 3.26Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.18Å |
| 288 | I | 93.1 | Very high | 91.2 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 44% | 0.441 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 177.6 | -65.7 | 165.6 | 0 | 0 | 0 | 110.9 | G284 T285 R286 N292 | G284-I288 WeakPolarHBondContact O-CG1 3.4Å; G284-I288 PolarHBondContact O-N 2.95Å; G284-I288 VanDerWaalsContact O-N 3.12Å; T285-I288 PolarHBondContact O-N 2.91Å; R286-I288 VanDerWaalsContact C-N 3.32Å; R286-I288 PolarHBondContact O-N 3.19Å; I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 3.16Å; I288-N292 PolarHBondContact O-OD1 2.86Å |
| 289 | Q | 92.7 | Very high | 92.1 | Very high | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 176.9 | -72.7 | 173.6 | -10.5 | 0 | 0 | 112 | T268 K269 T285 R286 N292 R293 | T268-Q289 HydrophobicContact CG2-CB 3.87Å; T268-Q289 PolarHBondContact OG1-OE1 3.2Å; K269-Q289 PolarHBondContact O-NE2 2.97Å; K269-Q289 PolarHBondContact O-OE1 3.25Å; T285-Q289 VanDerWaalsContact O-CG 3.29Å; T285-Q289 WeakPolarHBondContact O-CG 3.46Å; T285-Q289 PolarHBondContact O-N 3.37Å; R286-Q289 VanDerWaalsContact CD-OE1 3.31Å; R286-Q289 PolarHBondContact O-N 2.92Å; Q289-N292 PolarHBondContact O-N 3.25Å; Q289-R293 WeakPolarHBondContact O-CB 3.1Å; Q289-R293 PolarHBondContact O-N 3.19Å |
| 290 | R | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | -178.4 | -73.4 | 166.5 | 62.4 | 94.1 | -12.3 | 112.1 | D190 V235 N262 D266 T268 R286 N292 R293 F294 | D190-R290 IonicContact OD1-CZ 2.72Å; D190-R290 VanDerWaalsContact OD1-CZ 3.31Å; D190-R290 IonicContact OD1-NE 3.79Å; D190-R290 PolarHBondContact OD1-NE 2.95Å; D190-R290 IonicContact OD1-NH2 2.7Å; D190-R290 PolarHBondContact OD1-NH2 3.2Å; D190-R290 WeakPolarHBondContact OD2-CB 3.33Å; D190-R290 IonicContact OD2-CZ 3.44Å; D190-R290 IonicContact OD2-NE 2.73Å; D190-R290 PolarHBondContact OD2-NE 3.49Å; V235-R290 VanDerWaalsContact CG2-NH2 3.26Å; V235-R290 PolarHBondContact O-NH1 2.98Å; V235-R290 PolarHBondContact O-NH2 2.97Å; N262-R290 PolarHBondContact O-NH1 3.39Å; D266-R290 WeakPolarHBondContact OD2-CD 3.31Å; D266-R290 WeakPolarHBondContact OD2-CG 3.24Å; D266-R290 IonicContact OD2-CZ 3.18Å; D266-R290 IonicContact OD2-NE 3.15Å; D266-R290 IonicContact OD2-NH1 2.75Å; D266-R290 PolarHBondContact OD2-NH1 3.39Å; T268-R290 HydrophobicContact CG2-CG 3.98Å; R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 WeakPolarHBondContact O-CG 3.25Å; R286-R290 PolarHBondContact O-N 3.17Å; R290-N292 PolarHBondContact O-N 3.42Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 3.28Å; R290-F294 WeakPolarHBondContact O-CB 3.38Å; R290-F294 PolarHBondContact O-N 3.02Å |
| 291 | R | 94.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 172.9 | -174.5 | -169.1 | 68.9 | -167.9 | 1.6 | 111.8 | L287 F294 H295 | L287-R291 VanDerWaalsContact O-CB 3.26Å; L287-R291 WeakPolarHBondContact O-CB 3.26Å; L287-R291 PolarHBondContact O-N 3.18Å; R291-F294 PolarHBondContact O-N 3.2Å; R291-H295 WeakPolarHBondContact O-CB 3.21Å; R291-H295 PolarHBondContact O-N 3.44Å |
| 292 | N | 93.4 | Very high | 92.9 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 43% | 0.428 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 179.1 | -66.9 | 5.4 | 0 | 0 | 0 | 111.1 | I288 Q289 R290 H295 S296 | I288-N292 WeakPolarHBondContact O-CB 3.44Å; I288-N292 PolarHBondContact O-N 3.16Å; I288-N292 PolarHBondContact O-OD1 2.86Å; Q289-N292 PolarHBondContact O-N 3.25Å; R290-N292 PolarHBondContact O-N 3.42Å; N292-H295 PolarHBondContact O-N 3.15Å; N292-S296 PolarHBondContact O-N 2.99Å; N292-S296 PolarHBondContact O-OG 2.84Å; N292-S296 VanDerWaalsContact O-OG 3.08Å |
| 293 | R | 93.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 173.2 | -172.1 | 69.5 | -176.9 | 168 | 6.3 | 111.4 | T165 Y232 T268 Q289 R290 S296 L297 | T165-R293 PolarHBondContact O-NH1 2.96Å; T165-R293 VanDerWaalsContact OG1-CZ 3.3Å; T165-R293 PolarHBondContact OG1-NH1 2.7Å; T165-R293 PolarHBondContact OG1-NH2 3.23Å; Y232-R293 HydrophobicContact CE1-CB 4.41Å; Y232-R293 HydrophobicContact CE1-CG 4.26Å; Y232-R293 HydrophobicContact CE2-CG 3.98Å; T268-R293 HydrophobicContact CG2-CB 4.36Å; Q289-R293 WeakPolarHBondContact O-CB 3.1Å; Q289-R293 PolarHBondContact O-N 3.19Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 3.28Å; R293-S296 PolarHBondContact O-N 3.25Å; R293-L297 HydrophobicContact CG-CD1 4.07Å; R293-L297 VanDerWaalsContact O-CG 3.3Å; R293-L297 WeakPolarHBondContact O-CG 3.42Å; R293-L297 PolarHBondContact O-N 3.39Å |
| 294 | F | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 178 | -165.4 | -99.3 | 0 | 0 | 0 | 111.9 | L182 L183 F186 F228 V231 Y232 R290 R291 S296 L297 L298 | L182-F294 HydrophobicContact CD2-CZ 4.2Å; L182-F294 HydrophobicContact CG-CE1 4.35Å; L182-F294 HydrophobicContact CG-CZ 4.18Å; L183-F294 HydrophobicContact CD1-CD1 3.88Å; F186-F294 HydrophobicContact CB-CD1 3.88Å; F186-F294 HydrophobicContact CB-CE1 3.64Å; F186-F294 HydrophobicContact CB-CG 4.43Å; F186-F294 HydrophobicContact CB-CZ 4.02Å; F186-F294 HydrophobicContact CD1-CB 3.68Å; F186-F294 AromaticContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD1 3.67Å; F186-F294 HydrophobicContact CD1-CD2 4.08Å; F186-F294 HydrophobicContact CD1-CE1 4.29Å; F186-F294 AromaticContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD1-CG 3.54Å; F186-F294 HydrophobicContact CD2-CD2 4.12Å; F186-F294 HydrophobicContact CD2-CE2 4.11Å; F186-F294 HydrophobicContact CD2-CG 4.38Å; F186-F294 HydrophobicContact CD2-CZ 4.38Å; F186-F294 HydrophobicContact CE1-CB 3.64Å; F186-F294 HydrophobicContact CE1-CD1 4.46Å; F186-F294 HydrophobicContact CE1-CD2 4.26Å; F186-F294 AromaticContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE1-CG 3.9Å; F186-F294 HydrophobicContact CE2-CD2 4.32Å; F186-F294 HydrophobicContact CG-CB 4.45Å; F186-F294 AromaticContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD1 3.77Å; F186-F294 HydrophobicContact CG-CD2 4.02Å; F186-F294 AromaticContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE1 3.91Å; F186-F294 HydrophobicContact CG-CE2 4.15Å; F186-F294 AromaticContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CG 3.83Å; F186-F294 HydrophobicContact CG-CZ 4.11Å; F186-F294 HydrophobicContact CZ-CB 4.39Å; F186-F294 HydrophobicContact CZ-CD2 4.39Å; F186-F294 HydrophobicContact CZ-CG 4.47Å; F228-F294 HydrophobicContact CB-CE2 4.45Å; F228-F294 HydrophobicContact CD1-CE2 4.26Å; F228-F294 AromaticContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CD1-CZ 3.82Å; F228-F294 HydrophobicContact CE1-CZ 4.46Å; V231-F294 HydrophobicContact CB-CD2 4.35Å; V231-F294 HydrophobicContact CB-CE2 3.65Å; V231-F294 HydrophobicContact CB-CZ 4.08Å; V231-F294 HydrophobicContact CG1-CD2 3.85Å; V231-F294 HydrophobicContact CG1-CE2 3.59Å; V231-F294 HydrophobicContact CG1-CG 4.49Å; V231-F294 HydrophobicContact CG1-CZ 4.03Å; V231-F294 HydrophobicContact CG2-CE2 4.4Å; V231-F294 HydrophobicContact CG2-CZ 4.34Å; Y232-F294 HydrophobicContact CD1-CB 4.45Å; Y232-F294 HydrophobicContact CD1-CD2 4.01Å; Y232-F294 HydrophobicContact CG-CD2 4.43Å; R290-F294 WeakPolarHBondContact O-CB 3.38Å; R290-F294 PolarHBondContact O-N 3.02Å; R291-F294 PolarHBondContact O-N 3.2Å; F294-S296 PolarHBondContact O-N 3.13Å; F294-L297 PolarHBondContact O-N 2.71Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD1-CG 4.23Å; F294-L298 HydrophobicContact CE1-CD1 3.7Å; F294-L298 HydrophobicContact CE1-CD2 4.37Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 WeakPolarHBondContact O-CG 3.27Å; F294-L298 PolarHBondContact O-N 3.05Å |
| 295 | H | 94.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 173.5 | 179.5 | -78.8 | 0 | 0 | 0 | 112.2 | L183 R291 N292 L297 L298 I299 | L183-H295 HydrophobicContact CD1-CB 4.16Å; R291-H295 WeakPolarHBondContact O-CB 3.21Å; R291-H295 PolarHBondContact O-N 3.44Å; N292-H295 PolarHBondContact O-N 3.15Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.24Å; H295-L298 PolarHBondContact O-N 3.36Å; H295-I299 WeakPolarHBondContact O-CG1 3.38Å; H295-I299 PolarHBondContact O-N 2.65Å |
| 296 | S | 93.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.6 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | N292 R293 F294 I299 N300 | N292-S296 PolarHBondContact O-N 2.99Å; N292-S296 PolarHBondContact O-OG 2.84Å; N292-S296 VanDerWaalsContact O-OG 3.08Å; R293-S296 PolarHBondContact O-N 3.25Å; F294-S296 PolarHBondContact O-N 3.13Å; S296-I299 PolarHBondContact O-N 3.32Å; S296-N300 WeakPolarHBondContact O-CB 3.48Å; S296-N300 PolarHBondContact O-N 3.27Å; S296-N300 PolarHBondContact O-ND2 3.27Å; S296-N300 PolarHBondContact O-OD1 2.89Å |
| 297 | L | 94 | Very high | 92.9 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.9 | -69.1 | 162.2 | 0 | 0 | 0 | 111.9 | V231 Y232 R293 F294 H295 N300 L301 | V231-L297 HydrophobicContact CG1-CB 3.76Å; Y232-L297 HydrophobicContact CD2-CD1 3.91Å; Y232-L297 HydrophobicContact CG-CD1 3.92Å; R293-L297 HydrophobicContact CG-CD1 4.07Å; R293-L297 VanDerWaalsContact O-CG 3.3Å; R293-L297 WeakPolarHBondContact O-CG 3.42Å; R293-L297 PolarHBondContact O-N 3.39Å; F294-L297 PolarHBondContact O-N 2.71Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.24Å; L297-N300 PolarHBondContact O-N 3.05Å; L297-L301 PolarHBondContact O-N 3.41Å; L297-L301 VanDerWaalsContact O-N 3.15Å |
| 298 | L | 94.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | 172.4 | -66.6 | 176 | 0 | 0 | 0 | 112.3 | L175 L179 L182 L183 V231 F294 H295 N300 L301 V302 I343 | L175-L298 HydrophobicContact CD1-CB 4.25Å; L175-L298 HydrophobicContact CD1-CD1 4.17Å; L175-L298 HydrophobicContact CD2-CB 3.78Å; L179-L298 HydrophobicContact CB-CD1 4.43Å; L179-L298 HydrophobicContact CB-CD2 4.41Å; L179-L298 HydrophobicContact CD1-CB 4.34Å; L179-L298 HydrophobicContact CD1-CD2 4.27Å; L179-L298 HydrophobicContact CD2-CD2 4.22Å; L182-L298 HydrophobicContact CD2-CD2 4.39Å; L183-L298 HydrophobicContact CB-CD1 3.84Å; L183-L298 HydrophobicContact CD1-CD1 4.45Å; V231-L298 HydrophobicContact CG1-CD2 3.94Å; V231-L298 HydrophobicContact CG1-CG 4.26Å; V231-L298 HydrophobicContact CG2-CD2 3.9Å; F294-L298 HydrophobicContact CD1-CD1 3.83Å; F294-L298 HydrophobicContact CD1-CG 4.23Å; F294-L298 HydrophobicContact CE1-CD1 3.7Å; F294-L298 HydrophobicContact CE1-CD2 4.37Å; F294-L298 HydrophobicContact CE1-CG 4.13Å; F294-L298 WeakPolarHBondContact O-CG 3.27Å; F294-L298 PolarHBondContact O-N 3.05Å; H295-L298 PolarHBondContact O-N 3.36Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 3.49Å; L298-L301 WeakPolarHBondContact O-CB 3.33Å; L298-L301 PolarHBondContact O-N 3.09Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-V302 PolarHBondContact O-N 2.72Å; L298-I343 HydrophobicContact CD2-CD1 3.94Å |
| 299 | I | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.5 | -69.8 | -67.3 | 0 | 0 | 0 | 111 | V169 L173 L175 H295 S296 L301 V302 L303 | V169-I299 HydrophobicContact CG1-CB 3.89Å; V169-I299 HydrophobicContact CG1-CG2 3.46Å; V169-I299 VanDerWaalsContact CG1-CG2 3.46Å; L173-I299 HydrophobicContact CB-CD1 3.87Å; L173-I299 HydrophobicContact CD1-CG2 4.04Å; L175-I299 HydrophobicContact CD2-CD1 3.62Å; L175-I299 HydrophobicContact CD2-CG1 4.12Å; L175-I299 HydrophobicContact CG-CD1 3.72Å; L175-I299 HydrophobicContact CG-CG1 4.38Å; H295-I299 WeakPolarHBondContact O-CG1 3.38Å; H295-I299 PolarHBondContact O-N 2.65Å; S296-I299 PolarHBondContact O-N 3.32Å; I299-L301 VanDerWaalsContact C-N 3.28Å; I299-L301 PolarHBondContact O-N 2.89Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-V302 VanDerWaalsContact O-N 3.15Å; I299-L303 HydrophobicContact CG2-CD1 3.83Å; I299-L303 HydrophobicContact CG2-CG 4.2Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.27Å |
| 300 | N | 91.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -30.1 | 175.8 | -69.4 | -13.8 | 0 | 0 | 0 | 113.1 | S296 L297 L298 K304 | S296-N300 WeakPolarHBondContact O-CB 3.48Å; S296-N300 PolarHBondContact O-N 3.27Å; S296-N300 PolarHBondContact O-ND2 3.27Å; S296-N300 PolarHBondContact O-OD1 2.89Å; L297-N300 PolarHBondContact O-N 3.05Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 3.49Å; N300-K304 WeakPolarHBondContact O-CG 3.42Å; N300-K304 PolarHBondContact O-N 2.86Å; N300-K304 VanDerWaalsContact O-N 3.16Å |
| 301 | L | 92.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 171.7 | -173.4 | 66.4 | 0 | 0 | 0 | 111.1 | L179 L297 L298 I299 K304 S305 I343 | L179-L301 HydrophobicContact CD1-CD2 4.39Å; L297-L301 PolarHBondContact O-N 3.41Å; L297-L301 VanDerWaalsContact O-N 3.15Å; L298-L301 WeakPolarHBondContact O-CB 3.33Å; L298-L301 PolarHBondContact O-N 3.09Å; L298-L301 VanDerWaalsContact O-N 3.15Å; I299-L301 VanDerWaalsContact C-N 3.28Å; I299-L301 PolarHBondContact O-N 2.89Å; L301-K304 PolarHBondContact O-N 3.24Å; L301-S305 PolarHBondContact O-N 3.24Å; L301-I343 HydrophobicContact CD2-CD1 4.13Å; L301-I343 HydrophobicContact CD2-CG1 3.89Å |
| 302 | V | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.4 | -172 | 0 | 0 | 0 | 0 | 111.2 | L175 P176 L179 L298 I299 K304 S305 H306 W330 F334 L336 V340 | L175-V302 HydrophobicContact CD2-CG2 4.07Å; P176-V302 HydrophobicContact CG-CG2 3.99Å; L179-V302 HydrophobicContact CD1-CG2 3.67Å; L298-V302 PolarHBondContact O-N 2.72Å; I299-V302 PolarHBondContact O-N 3.05Å; I299-V302 VanDerWaalsContact O-N 3.15Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.04Å; V302-S305 WeakPolarHBondContact CA-OG 3.49Å; V302-S305 PolarHBondContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.43Å; V302-H306 WeakPolarHBondContact O-CB 3.3Å; V302-H306 PolarHBondContact O-N 2.89Å; V302-W330 HydrophobicContact CB-CH2 3.71Å; V302-W330 HydrophobicContact CB-CZ2 3.83Å; V302-W330 HydrophobicContact CG1-CD2 4.47Å; V302-W330 HydrophobicContact CG1-CE3 4.48Å; V302-W330 HydrophobicContact CG1-CH2 3.42Å; V302-W330 VanDerWaalsContact CG1-CH2 3.42Å; V302-W330 HydrophobicContact CG1-CZ2 3.37Å; V302-W330 HydrophobicContact CG1-CZ3 3.99Å; V302-F334 HydrophobicContact CG1-CE1 3.77Å; V302-F334 HydrophobicContact CG1-CZ 4.1Å; V302-L336 HydrophobicContact CG1-CD1 3.76Å; V302-V340 HydrophobicContact CB-CG2 4.43Å; V302-V340 HydrophobicContact CG1-CG2 3.97Å; V302-V340 HydrophobicContact CG2-CG1 4.29Å; V302-V340 HydrophobicContact CG2-CG2 4.14Å |
| 303 | L | 91.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -42.7 | 174.3 | -77.4 | 165 | 0 | 0 | 0 | 111.9 | L173 I299 H306 R307 D324 L327 W330 | L173-L303 HydrophobicContact CD1-CD2 4.41Å; I299-L303 HydrophobicContact CG2-CD1 3.83Å; I299-L303 HydrophobicContact CG2-CG 4.2Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.27Å; L303-H306 PolarHBondContact O-N 2.87Å; L303-R307 WeakPolarHBondContact O-CG 3.39Å; L303-R307 PolarHBondContact O-N 2.93Å; L303-D324 HydrophobicContact CD1-CB 3.89Å; L303-D324 HydrophobicContact CD2-CB 4Å; L303-D324 HydrophobicContact CG-CB 4.48Å; L303-L327 HydrophobicContact CD2-CB 4.48Å; L303-L327 HydrophobicContact CD2-CD2 3.58Å; L303-W330 HydrophobicContact CD2-CH2 4.08Å; L303-W330 HydrophobicContact CD2-CZ3 3.89Å; L303-W330 HydrophobicContact CG-CH2 4.03Å; L303-W330 HydrophobicContact CG-CZ3 4.27Å |
| 304 | K | 90.6 | Very high | 91.7 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.1 | -49.6 | 174.7 | -74.4 | 176.6 | 177.9 | -170.9 | 0 | 112 | N300 L301 V302 H306 R307 V308 | N300-K304 WeakPolarHBondContact O-CG 3.42Å; N300-K304 PolarHBondContact O-N 2.86Å; N300-K304 VanDerWaalsContact O-N 3.16Å; L301-K304 PolarHBondContact O-N 3.24Å; V302-K304 VanDerWaalsContact C-N 3.3Å; V302-K304 PolarHBondContact O-N 3.04Å; K304-H306 VanDerWaalsContact C-N 3.32Å; K304-H306 PolarHBondContact O-N 3.48Å; K304-R307 PolarHBondContact O-N 2.85Å; K304-V308 WeakPolarHBondContact O-CG2 3.33Å; K304-V308 PolarHBondContact O-N 3.03Å; K304-V308 VanDerWaalsContact O-N 3.1Å |
| 305 | S | 91.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 176.3 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | L301 V302 V308 F309 | L301-S305 PolarHBondContact O-N 3.24Å; V302-S305 WeakPolarHBondContact CA-OG 3.49Å; V302-S305 PolarHBondContact O-N 3.13Å; V302-S305 PolarHBondContact O-OG 3.43Å; S305-V308 PolarHBondContact O-N 2.95Å; S305-F309 WeakPolarHBondContact O-CB 3.46Å; S305-F309 PolarHBondContact O-N 3.31Å |
| 306 | H | 91.7 | Very high | 90.7 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 176.3 | -179.3 | -115.5 | 0 | 0 | 0 | 111.6 | V302 L303 K304 F309 L310 W330 H331 F334 | V302-H306 WeakPolarHBondContact O-CB 3.3Å; V302-H306 PolarHBondContact O-N 2.89Å; L303-H306 PolarHBondContact O-N 2.87Å; K304-H306 VanDerWaalsContact C-N 3.32Å; K304-H306 PolarHBondContact O-N 3.48Å; H306-F309 PolarHBondContact O-N 3Å; H306-L310 WeakPolarHBondContact O-CG 3.18Å; H306-L310 PolarHBondContact O-N 3.42Å; H306-W330 HydrophobicContact CB-CE3 3.97Å; H306-W330 HydrophobicContact CB-CZ3 3.78Å; H306-W330 AromaticContact CD2-CE3 3.9Å; H306-W330 AromaticContact CG-CE3 3.65Å; H306-W330 AromaticContact CG-CZ3 3.86Å; H306-W330 AromaticContact ND1-CE3 3.84Å; H306-W330 AromaticContact ND1-CZ3 3.98Å; H306-H331 WeakPolarHBondContact NE2-CB 2.99Å; H306-H331 PolarHBondContact NE2-N 3.32Å; H306-F334 HydrophobicContact CB-CE1 4.13Å; H306-F334 HydrophobicContact CB-CE2 4.14Å; H306-F334 HydrophobicContact CB-CZ 3.92Å; H306-F334 AromaticContact CD2-CD1 3.82Å; H306-F334 AromaticContact CD2-CD2 3.95Å; H306-F334 AromaticContact CD2-CG 3.64Å |
| 307 | R | 89.6 | Confident | 90.2 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 171.1 | -75.7 | 178.5 | 172.9 | -135.8 | -10.4 | 111.6 | L303 K304 F309 L310 T311 L321 D324 | L303-R307 WeakPolarHBondContact O-CG 3.39Å; L303-R307 PolarHBondContact O-N 2.93Å; K304-R307 PolarHBondContact O-N 2.85Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 PolarHBondContact O-N 3.39Å; R307-L310 PolarHBondContact O-N 3.25Å; R307-T311 PolarHBondContact O-N 3.24Å; R307-T311 PolarHBondContact O-OG1 3.5Å; R307-T311 VanDerWaalsContact O-OG1 3.08Å; R307-L321 HydrophobicContact CB-CD2 4.47Å; R307-L321 HydrophobicContact CG-CD2 4.25Å; R307-D324 IonicContact CZ-OD1 3.67Å; R307-D324 IonicContact CZ-OD2 2.71Å; R307-D324 VanDerWaalsContact NE-CG 3.33Å; R307-D324 IonicContact NE-OD1 3.68Å; R307-D324 PolarHBondContact NE-OD1 3.18Å; R307-D324 IonicContact NE-OD2 3.96Å; R307-D324 PolarHBondContact NE-OD2 3.48Å; R307-D324 VanDerWaalsContact NE-OD2 3.15Å; R307-D324 IonicContact NH2-OD1 2.93Å; R307-D324 PolarHBondContact NH2-OD1 3.01Å; R307-D324 IonicContact NH2-OD2 2.69Å; R307-D324 PolarHBondContact NH2-OD2 2.79Å |
| 308 | V | 90.9 | Very high | 89.6 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | K304 S305 L310 T311 S312 | K304-V308 WeakPolarHBondContact O-CG2 3.33Å; K304-V308 PolarHBondContact O-N 3.03Å; K304-V308 VanDerWaalsContact O-N 3.1Å; S305-V308 PolarHBondContact O-N 2.95Å; V308-L310 PolarHBondContact O-N 3.03Å; V308-T311 PolarHBondContact O-N 2.88Å; V308-S312 WeakPolarHBondContact O-CB 3.4Å; V308-S312 PolarHBondContact O-N 2.89Å; V308-S312 PolarHBondContact O-OG 3.36Å |
| 309 | F | 92.3 | Very high | 89 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 175 | 168.9 | -94.5 | 0 | 0 | 0 | 113.4 | S305 H306 R307 T311 D313 L314 H331 K333 F334 | S305-F309 WeakPolarHBondContact O-CB 3.46Å; S305-F309 PolarHBondContact O-N 3.31Å; H306-F309 PolarHBondContact O-N 3Å; R307-F309 VanDerWaalsContact C-N 3.33Å; R307-F309 PolarHBondContact O-N 3.39Å; F309-T311 VanDerWaalsContact C-N 3.34Å; F309-T311 PolarHBondContact O-N 3.35Å; F309-D313 HydrophobicContact CD2-CB 3.9Å; F309-D313 WeakPolarHBondContact CD2-OD2 3.36Å; F309-D313 HydrophobicContact CE2-CB 3.92Å; F309-D313 WeakPolarHBondContact O-CB 3.49Å; F309-D313 PolarHBondContact O-N 3.45Å; F309-L314 HydrophobicContact CD1-CD1 4.11Å; F309-L314 HydrophobicContact CE1-CD1 3.39Å; F309-L314 HydrophobicContact CE1-CG 4.42Å; F309-L314 HydrophobicContact CZ-CD1 3.82Å; F309-L314 HydrophobicContact CZ-CG 4.47Å; F309-L314 PolarHBondContact O-N 3.35Å; F309-H331 HydrophobicContact CE1-CB 4.46Å; F309-H331 AromaticContact CE1-ND1 3.7Å; F309-K333 VanDerWaalsContact CZ-C 3.45Å; F309-K333 HydrophobicContact CZ-CB 3.89Å; F309-K333 VanDerWaalsContact CZ-O 3.29Å; F309-K333 WeakPolarHBondContact CZ-O 3.29Å; F309-F334 HydrophobicContact CB-CD2 3.78Å; F309-F334 HydrophobicContact CB-CE2 3.99Å; F309-F334 HydrophobicContact CD1-CB 3.98Å; F309-F334 AromaticContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CG 4.26Å; F309-F334 HydrophobicContact CD2-CD2 4.1Å; F309-F334 HydrophobicContact CE1-CB 3.83Å; F309-F334 HydrophobicContact CE1-CD2 4.34Å; F309-F334 AromaticContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CE2 4.29Å; F309-F334 HydrophobicContact CZ-CB 4.32Å |
| 310 | L | 90.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 177.2 | -70.1 | -178.4 | 0 | 0 | 0 | 112.4 | H306 R307 V308 L314 I316 L321 H331 | H306-L310 WeakPolarHBondContact O-CG 3.18Å; H306-L310 PolarHBondContact O-N 3.42Å; R307-L310 PolarHBondContact O-N 3.25Å; V308-L310 PolarHBondContact O-N 3.03Å; L310-L314 HydrophobicContact CD2-CD1 3.75Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L310-I316 HydrophobicContact CB-CD1 4.44Å; L310-I316 HydrophobicContact CD2-CD1 4.17Å; L310-I316 WeakPolarHBondContact O-CB 3.37Å; L310-I316 WeakPolarHBondContact O-CG1 3.21Å; L310-I316 PolarHBondContact O-N 3.16Å; L310-I316 VanDerWaalsContact O-N 3.08Å; L310-L321 HydrophobicContact CB-CD2 4.13Å; L310-L321 HydrophobicContact CD1-CD2 4.01Å; L310-L321 HydrophobicContact CD1-CG 4.2Å; L310-H331 HydrophobicContact CD2-CB 4.12Å |
| 311 | T | 91 | Very high | 87.7 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.3 | -48.7 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | R307 V308 F309 G315 | R307-T311 PolarHBondContact O-N 3.24Å; R307-T311 PolarHBondContact O-OG1 3.5Å; R307-T311 VanDerWaalsContact O-OG1 3.08Å; V308-T311 PolarHBondContact O-N 2.88Å; F309-T311 VanDerWaalsContact C-N 3.34Å; F309-T311 PolarHBondContact O-N 3.35Å; T311-G315 VanDerWaalsContact O-CA 3.29Å; T311-G315 WeakPolarHBondContact O-CA 3.42Å; T311-G315 PolarHBondContact O-N 3.42Å |
| 312 | S | 89.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.3 | -51.3 | -172.7 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | V308 | V308-S312 WeakPolarHBondContact O-CB 3.4Å; V308-S312 PolarHBondContact O-N 2.89Å; V308-S312 PolarHBondContact O-OG 3.36Å |
| 313 | D | 86.9 | Confident | 86.3 | Confident | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -18.5 | -168 | -60.4 | -2.6 | 0 | 0 | 0 | 112.4 | F309 | F309-D313 HydrophobicContact CD2-CB 3.9Å; F309-D313 WeakPolarHBondContact CD2-OD2 3.36Å; F309-D313 HydrophobicContact CE2-CB 3.92Å; F309-D313 WeakPolarHBondContact O-CB 3.49Å; F309-D313 PolarHBondContact O-N 3.45Å |
| 314 | L | 87.2 | Confident | 85.9 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 31% | 0.314 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -115 | -3.9 | 178.1 | -74.8 | 157.3 | 0 | 0 | 0 | 113.5 | F309 L310 I316 | F309-L314 HydrophobicContact CD1-CD1 4.11Å; F309-L314 HydrophobicContact CE1-CD1 3.39Å; F309-L314 HydrophobicContact CE1-CG 4.42Å; F309-L314 HydrophobicContact CZ-CD1 3.82Å; F309-L314 HydrophobicContact CZ-CG 4.47Å; F309-L314 PolarHBondContact O-N 3.35Å; L310-L314 HydrophobicContact CD2-CD1 3.75Å; L310-L314 WeakPolarHBondContact O-CB 3.5Å; L314-I316 HydrophobicContact CB-CD1 4.15Å; L314-I316 HydrophobicContact CB-CG1 3.94Å; L314-I316 PolarHBondContact O-N 2.86Å |
| 315 | G | 84.9 | Confident | 85.3 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 66% | 0.66 | 39% | 0.389 | S | S | * | . | trans | 63.4 | 23.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | T311 D317 | T311-G315 VanDerWaalsContact O-CA 3.29Å; T311-G315 WeakPolarHBondContact O-CA 3.42Å; T311-G315 PolarHBondContact O-N 3.42Å; G315-D317 PolarHBondContact O-N 2.66Å | ||
| 316 | I | 84.9 | Confident | 84.9 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 20% | 0.195 | 40% | 0.396 | C | S | . | . | trans | -81.8 | 118.8 | -176.7 | -48.7 | 179.2 | 0 | 0 | 0 | 109.3 | L310 L314 L321 | L310-I316 HydrophobicContact CB-CD1 4.44Å; L310-I316 HydrophobicContact CD2-CD1 4.17Å; L310-I316 WeakPolarHBondContact O-CB 3.37Å; L310-I316 WeakPolarHBondContact O-CG1 3.21Å; L310-I316 PolarHBondContact O-N 3.16Å; L310-I316 VanDerWaalsContact O-N 3.08Å; L314-I316 HydrophobicContact CB-CD1 4.15Å; L314-I316 HydrophobicContact CB-CG1 3.94Å; L314-I316 PolarHBondContact O-N 2.86Å; I316-L321 HydrophobicContact CB-CD1 3.9Å; I316-L321 HydrophobicContact CG2-CD1 3.45Å; I316-L321 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 317 | D | 82.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | trans | -47.5 | 122.3 | 173 | 170.1 | 5.2 | 0 | 0 | 0 | 111.4 | G315 S319 K320 L321 | G315-D317 PolarHBondContact O-N 2.66Å; D317-S319 PolarHBondContact O-N 3.32Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 WeakPolarHBondContact OD1-CB 3.21Å; D317-S319 PolarHBondContact OD1-N 2.96Å; D317-S319 PolarHBondContact OD1-OG 3.35Å; D317-K320 HydrophobicContact CB-CD 4.2Å; D317-K320 HydrophobicContact CB-CG 4.16Å; D317-K320 PolarHBondContact O-N 3.02Å; D317-K320 IonicContact OD2-NZ 2.72Å; D317-K320 PolarHBondContact OD2-NZ 3.45Å; D317-L321 WeakPolarHBondContact O-CD1 3.35Å | ||
| 318 | P | 82.3 | Confident | 84.5 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -58.4 | -25.6 | -177.5 | 24.7 | -35 | 0 | 0 | 0 | 113 | K320 L321 | P318-K320 PolarHBondContact O-N 3.05Å; P318-L321 PolarHBondContact O-N 3Å |
| 319 | S | 80.6 | Confident | 84.4 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.7 | 176.4 | -33.9 | 0 | 0 | 0 | 0 | 113.2 | D317 | D317-S319 PolarHBondContact O-N 3.32Å; D317-S319 VanDerWaalsContact O-N 3.08Å; D317-S319 WeakPolarHBondContact OD1-CB 3.21Å; D317-S319 PolarHBondContact OD1-N 2.96Å; D317-S319 PolarHBondContact OD1-OG 3.35Å |
| 320 | K | 78.3 | Confident | 84.3 | Confident | 151 Ų | 151 | 81.3 Ų | 81.3 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -106.7 | -1 | -177.7 | -58.7 | -174.5 | 179.4 | 95.9 | 0 | 113.1 | D317 P318 | D317-K320 HydrophobicContact CB-CD 4.2Å; D317-K320 HydrophobicContact CB-CG 4.16Å; D317-K320 PolarHBondContact O-N 3.02Å; D317-K320 IonicContact OD2-NZ 2.72Å; D317-K320 PolarHBondContact OD2-NZ 3.45Å; P318-K320 PolarHBondContact O-N 3.05Å |
| 321 | L | 79.1 | Confident | 84.3 | Confident | 36 Ų | 36 | 82.2 Ų | 82.2 | 19% | 0.188 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 126.5 | 174.3 | -92.2 | 63.6 | 0 | 0 | 0 | 109.9 | R307 L310 I316 D317 P318 | R307-L321 HydrophobicContact CB-CD2 4.47Å; R307-L321 HydrophobicContact CG-CD2 4.25Å; L310-L321 HydrophobicContact CB-CD2 4.13Å; L310-L321 HydrophobicContact CD1-CD2 4.01Å; L310-L321 HydrophobicContact CD1-CG 4.2Å; I316-L321 HydrophobicContact CB-CD1 3.9Å; I316-L321 HydrophobicContact CG2-CD1 3.45Å; I316-L321 VanDerWaalsContact CG2-CD1 3.45Å; D317-L321 WeakPolarHBondContact O-CD1 3.35Å; P318-L321 PolarHBondContact O-N 3Å |
| 322 | P | 75.9 | Confident | 84.2 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 159.5 | 174.1 | 28.3 | -31.1 | 0 | 0 | 0 | 111.5 | F10 | F10-P322 HydrophobicContact CD1-CG 4.44Å; F10-P322 HydrophobicContact CE1-CB 4.29Å; F10-P322 HydrophobicContact CE1-CG 3.55Å; F10-P322 HydrophobicContact CE2-CG 4.1Å; F10-P322 HydrophobicContact CZ-CG 3.36Å |
| 323 | E | 81.4 | Confident | 84.3 | Confident | 140 Ų | 140 | 88.1 Ų | 88.1 | 65% | 0.654 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 143.5 | -178 | -168.8 | -173.9 | -138.3 | 0 | 0 | 112.3 | S325 S326 | E323-S325 PolarHBondContact O-N 2.72Å; E323-S325 VanDerWaalsContact O-N 3.09Å; E323-S325 VanDerWaalsContact OE2-CB 3.32Å; E323-S325 WeakPolarHBondContact OE2-CB 3.13Å; E323-S325 PolarHBondContact OE2-OG 3.3Å; E323-S326 WeakPolarHBondContact O-CB 3.42Å; E323-S326 PolarHBondContact O-N 2.67Å; E323-S326 PolarHBondContact O-OG 3.41Å |
| 324 | D | 81.9 | Confident | 84.5 | Confident | 43 Ų | 43 | 83.2 Ų | 83.2 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -58.2 | -25.9 | -178.3 | -68.9 | -6.4 | 0 | 0 | 0 | 113.4 | P170 L303 R307 S326 L327 | P170-D324 WeakPolarHBondContact CG-O 3.28Å; L303-D324 HydrophobicContact CD1-CB 3.89Å; L303-D324 HydrophobicContact CD2-CB 4Å; L303-D324 HydrophobicContact CG-CB 4.48Å; R307-D324 IonicContact CZ-OD1 3.67Å; R307-D324 IonicContact CZ-OD2 2.71Å; R307-D324 VanDerWaalsContact NE-CG 3.33Å; R307-D324 IonicContact NE-OD1 3.68Å; R307-D324 PolarHBondContact NE-OD1 3.18Å; R307-D324 IonicContact NE-OD2 3.96Å; R307-D324 PolarHBondContact NE-OD2 3.48Å; R307-D324 VanDerWaalsContact NE-OD2 3.15Å; R307-D324 IonicContact NH2-OD1 2.93Å; R307-D324 PolarHBondContact NH2-OD1 3.01Å; R307-D324 IonicContact NH2-OD2 2.69Å; R307-D324 PolarHBondContact NH2-OD2 2.79Å; D324-S326 PolarHBondContact O-N 2.82Å; D324-L327 PolarHBondContact O-N 3.22Å |
| 325 | S | 79.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -54.9 | -27.6 | 172.3 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | E323 | E323-S325 PolarHBondContact O-N 2.72Å; E323-S325 VanDerWaalsContact O-N 3.09Å; E323-S325 VanDerWaalsContact OE2-CB 3.32Å; E323-S325 WeakPolarHBondContact OE2-CB 3.13Å; E323-S325 PolarHBondContact OE2-OG 3.3Å |
| 326 | S | 82.6 | Confident | 84.8 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 32% | 0.315 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -90.4 | -15.8 | -175.7 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | E323 D324 R328 | E323-S326 WeakPolarHBondContact O-CB 3.42Å; E323-S326 PolarHBondContact O-N 2.67Å; E323-S326 PolarHBondContact O-OG 3.41Å; D324-S326 PolarHBondContact O-N 2.82Å; S326-R328 PolarHBondContact O-N 3.29Å |
| 327 | L | 85.9 | Confident | 85 | Confident | 24 Ų | 24 | 84.5 Ų | 84.5 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | trans | -74.9 | 110.2 | -167.8 | -168.3 | 72.9 | 0 | 0 | 0 | 111.9 | P170 L173 L303 D324 R329 W330 | P170-L327 VanDerWaalsContact CB-O 3.26Å; P170-L327 WeakPolarHBondContact CB-O 3.17Å; P170-L327 VanDerWaalsContact CG-O 3.31Å; P170-L327 WeakPolarHBondContact CG-O 3.48Å; L173-L327 HydrophobicContact CD1-CD2 4.3Å; L173-L327 HydrophobicContact CD2-CD2 4.44Å; L173-L327 HydrophobicContact CD2-CG 4.39Å; L303-L327 HydrophobicContact CD2-CB 4.48Å; L303-L327 HydrophobicContact CD2-CD2 3.58Å; D324-L327 PolarHBondContact O-N 3.22Å; L327-R329 WeakPolarHBondContact CD1-O 3.42Å; L327-W330 HydrophobicContact CD2-CE3 3.73Å; L327-W330 HydrophobicContact CD2-CZ3 3.62Å | ||
| 328 | R | 86.1 | Confident | 85.2 | Confident | 211 Ų | 211 | 86.9 Ų | 86.9 | 80% | 0.796 | 45% | 0.447 | S | S | * | . | trans | -94.3 | -20.7 | -178.4 | -65.2 | -176.4 | -178.9 | -82.2 | -3.5 | 114.7 | S326 | S326-R328 PolarHBondContact O-N 3.29Š| ||
| 329 | R | 89.4 | Confident | 85.2 | Confident | 210 Ų | 210 | 84.6 Ų | 84.6 | 79% | 0.792 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -151.3 | 150.6 | -179.2 | -63.6 | -174.1 | 178.9 | -174.8 | -1.9 | 109.2 | L327 | L327-R329 WeakPolarHBondContact CD1-O 3.42Š|
| 330 | W | 90.5 | Very high | 85.5 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 15% | 0.148 | 40% | 0.402 | C | S | . | . | trans | -68.2 | 154 | 169.7 | -55.8 | 122.7 | 0 | 0 | 0 | 111.5 | L173 V174 V302 L303 H306 L327 F334 L336 | L173-W330 HydrophobicContact CB-CZ2 3.87Å; L173-W330 HydrophobicContact CD1-CH2 3.92Å; L173-W330 HydrophobicContact CD1-CZ2 4.04Å; L173-W330 HydrophobicContact CD1-CZ3 4.4Å; L173-W330 HydrophobicContact CD2-CD2 4.19Å; L173-W330 HydrophobicContact CD2-CZ2 4.32Å; L173-W330 HydrophobicContact CG-CZ2 4.3Å; V174-W330 PolarHBondContact O-NE1 3.03Å; V302-W330 HydrophobicContact CB-CH2 3.71Å; V302-W330 HydrophobicContact CB-CZ2 3.83Å; V302-W330 HydrophobicContact CG1-CD2 4.47Å; V302-W330 HydrophobicContact CG1-CE3 4.48Å; V302-W330 HydrophobicContact CG1-CH2 3.42Å; V302-W330 VanDerWaalsContact CG1-CH2 3.42Å; V302-W330 HydrophobicContact CG1-CZ2 3.37Å; V302-W330 HydrophobicContact CG1-CZ3 3.99Å; L303-W330 HydrophobicContact CD2-CH2 4.08Å; L303-W330 HydrophobicContact CD2-CZ3 3.89Å; L303-W330 HydrophobicContact CG-CH2 4.03Å; L303-W330 HydrophobicContact CG-CZ3 4.27Å; H306-W330 HydrophobicContact CB-CE3 3.97Å; H306-W330 HydrophobicContact CB-CZ3 3.78Å; H306-W330 AromaticContact CD2-CE3 3.9Å; H306-W330 AromaticContact CG-CE3 3.65Å; H306-W330 AromaticContact CG-CZ3 3.86Å; H306-W330 AromaticContact ND1-CE3 3.84Å; H306-W330 AromaticContact ND1-CZ3 3.98Å; L327-W330 HydrophobicContact CD2-CE3 3.73Å; L327-W330 HydrophobicContact CD2-CZ3 3.62Å; W330-F334 HydrophobicContact CB-CD1 4.13Å; W330-F334 HydrophobicContact CD2-CD1 4.34Å; W330-F334 HydrophobicContact CD2-CE1 4.37Å; W330-F334 HydrophobicContact CE3-CD1 4.42Å; W330-F334 HydrophobicContact CE3-CE1 4.34Å; W330-F334 HydrophobicContact CG-CD1 4.22Å; W330-L336 HydrophobicContact CG-CD1 4.48Å | ||
| 331 | H | 89.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | trans | -64 | 135.7 | 171.7 | -179.3 | -98.4 | 0 | 0 | 0 | 110.5 | H306 F309 L310 K333 F334 | H306-H331 WeakPolarHBondContact NE2-CB 2.99Å; H306-H331 PolarHBondContact NE2-N 3.32Å; F309-H331 HydrophobicContact CE1-CB 4.46Å; F309-H331 AromaticContact CE1-ND1 3.7Å; L310-H331 HydrophobicContact CD2-CB 4.12Å; H331-K333 PolarHBondContact ND1-N 2.72Å; H331-K333 PolarHBondContact O-N 3.14Å; H331-K333 VanDerWaalsContact O-N 3.07Å; H331-F334 VanDerWaalsContact O-CB 3.25Å; H331-F334 WeakPolarHBondContact O-CB 3.44Å; H331-F334 PolarHBondContact O-N 3.08Å | ||
| 332 | P | 90.1 | Very high | 86.1 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | -171.2 | 22.9 | -35.4 | 0 | 0 | 0 | 115.5 | ||
| 333 | K | 90.4 | Very high | 86.9 | Confident | 157 Ų | 157 | 77.3 Ų | 77.3 | 68% | 0.683 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.3 | 172.5 | -63 | -170.9 | 176.8 | -174.8 | 0 | 114.5 | F309 H331 P335 | F309-K333 VanDerWaalsContact CZ-C 3.45Å; F309-K333 HydrophobicContact CZ-CB 3.89Å; F309-K333 VanDerWaalsContact CZ-O 3.29Å; F309-K333 WeakPolarHBondContact CZ-O 3.29Å; H331-K333 PolarHBondContact ND1-N 2.72Å; H331-K333 PolarHBondContact O-N 3.14Å; H331-K333 VanDerWaalsContact O-N 3.07Å; K333-P335 WeakPolarHBondContact O-CD 3.32Å |
| 334 | F | 91.4 | Very high | 87.5 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | trans | -71.6 | 118.5 | -177.1 | 176.8 | -125.3 | 0 | 0 | 0 | 110.6 | V302 H306 F309 W330 H331 L336 A339 V340 | V302-F334 HydrophobicContact CG1-CE1 3.77Å; V302-F334 HydrophobicContact CG1-CZ 4.1Å; H306-F334 HydrophobicContact CB-CE1 4.13Å; H306-F334 HydrophobicContact CB-CE2 4.14Å; H306-F334 HydrophobicContact CB-CZ 3.92Å; H306-F334 AromaticContact CD2-CD1 3.82Å; H306-F334 AromaticContact CD2-CD2 3.95Å; H306-F334 AromaticContact CD2-CG 3.64Å; F309-F334 HydrophobicContact CB-CD2 3.78Å; F309-F334 HydrophobicContact CB-CE2 3.99Å; F309-F334 HydrophobicContact CD1-CB 3.98Å; F309-F334 AromaticContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CD2 3.69Å; F309-F334 HydrophobicContact CD1-CG 4.26Å; F309-F334 HydrophobicContact CD2-CD2 4.1Å; F309-F334 HydrophobicContact CE1-CB 3.83Å; F309-F334 HydrophobicContact CE1-CD2 4.34Å; F309-F334 AromaticContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CD2 3.57Å; F309-F334 HydrophobicContact CG-CE2 4.29Å; F309-F334 HydrophobicContact CZ-CB 4.32Å; W330-F334 HydrophobicContact CB-CD1 4.13Å; W330-F334 HydrophobicContact CD2-CD1 4.34Å; W330-F334 HydrophobicContact CD2-CE1 4.37Å; W330-F334 HydrophobicContact CE3-CD1 4.42Å; W330-F334 HydrophobicContact CE3-CE1 4.34Å; W330-F334 HydrophobicContact CG-CD1 4.22Å; H331-F334 VanDerWaalsContact O-CB 3.25Å; H331-F334 WeakPolarHBondContact O-CB 3.44Å; H331-F334 PolarHBondContact O-N 3.08Å; F334-L336 VanDerWaalsContact C-N 3.26Å; F334-L336 HydrophobicContact CD1-CB 4.35Å; F334-L336 HydrophobicContact CD1-CD1 4.21Å; F334-L336 HydrophobicContact CE1-CB 4.44Å; F334-L336 HydrophobicContact CE1-CD1 3.74Å; F334-L336 PolarHBondContact O-N 3.03Å; F334-A339 HydrophobicContact CD2-CB 4.37Å; F334-A339 HydrophobicContact CE2-CB 3.65Å; F334-A339 HydrophobicContact CZ-CB 4.24Å; F334-V340 HydrophobicContact CZ-CG2 4.29Å | ||
| 335 | P | 89.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | trans | -80.7 | 76.4 | -177.4 | 33 | -33.3 | 0 | 0 | 0 | 110.2 | K333 E337 S338 A339 | K333-P335 WeakPolarHBondContact O-CD 3.32Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.19Å; P335-E337 VanDerWaalsContact O-N 3.08Å; P335-S338 PolarHBondContact O-N 2.9Å; P335-A339 HydrophobicContact CG-CB 4.03Å; P335-A339 PolarHBondContact O-N 3.16Å | ||
| 336 | L | 88.9 | Confident | 88.7 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -40.5 | -170.7 | -178.5 | 65 | 0 | 0 | 0 | 114.7 | V174 P176 V302 W330 F334 V340 | V174-L336 HydrophobicContact CB-CD2 4.46Å; V174-L336 HydrophobicContact CG1-CD2 4.23Å; P176-L336 HydrophobicContact CB-CG 4.42Å; P176-L336 HydrophobicContact CG-CD1 3.8Å; P176-L336 HydrophobicContact CG-CG 3.98Å; P176-L336 WeakPolarHBondContact CG-O 3.47Å; V302-L336 HydrophobicContact CG1-CD1 3.76Å; W330-L336 HydrophobicContact CG-CD1 4.48Å; F334-L336 VanDerWaalsContact C-N 3.26Å; F334-L336 HydrophobicContact CD1-CB 4.35Å; F334-L336 HydrophobicContact CD1-CD1 4.21Å; F334-L336 HydrophobicContact CE1-CB 4.44Å; F334-L336 HydrophobicContact CE1-CD1 3.74Å; F334-L336 PolarHBondContact O-N 3.03Å; L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å |
| 337 | E | 88.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 79.7 Ų | 79.7 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.9 | -177 | -60.5 | -70.6 | 170 | 0 | 0 | 113.5 | P176 H177 R180 P335 | P176-E337 WeakPolarHBondContact CA-OE1 3.47Å; H177-E337 WeakPolarHBondContact CB-OE2 3.32Å; H177-E337 PolarHBondContact N-OE1 2.81Å; H177-E337 PolarHBondContact N-OE2 3.18Å; R180-E337 IonicContact NH2-OE1 2.93Å; R180-E337 PolarHBondContact NH2-OE1 3.18Å; P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.19Å; P335-E337 VanDerWaalsContact O-N 3.08Å |
| 338 | S | 86.5 | Confident | 89.3 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 73% | 0.734 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -36.9 | -173.8 | -170.2 | 0 | 0 | 0 | 0 | 114 | P335 V340 | P335-S338 PolarHBondContact O-N 2.9Å; S338-V340 PolarHBondContact O-N 2.86Å |
| 339 | A | 82.9 | Confident | 89.5 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -74.4 | -12.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | F334 P335 | F334-A339 HydrophobicContact CD2-CB 4.37Å; F334-A339 HydrophobicContact CE2-CB 3.65Å; F334-A339 HydrophobicContact CZ-CB 4.24Å; P335-A339 HydrophobicContact CG-CB 4.03Å; P335-A339 PolarHBondContact O-N 3.16Å |
| 340 | V | 85.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.036 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -96.8 | 98.4 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | P176 L179 V302 F334 L336 S338 | P176-V340 HydrophobicContact CG-CB 4.05Å; P176-V340 HydrophobicContact CG-CG1 4.19Å; P176-V340 HydrophobicContact CG-CG2 3.77Å; L179-V340 HydrophobicContact CD1-CG1 3.94Å; L179-V340 HydrophobicContact CG-CG1 4.38Å; V302-V340 HydrophobicContact CB-CG2 4.43Å; V302-V340 HydrophobicContact CG1-CG2 3.97Å; V302-V340 HydrophobicContact CG2-CG1 4.29Å; V302-V340 HydrophobicContact CG2-CG2 4.14Å; F334-V340 HydrophobicContact CZ-CG2 4.29Å; L336-V340 VanDerWaalsContact O-CG2 3.32Å; L336-V340 WeakPolarHBondContact O-CG2 3.45Å; S338-V340 PolarHBondContact O-N 2.86Å |
| 341 | A | 83 | Confident | 89.2 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | trans | -53.9 | 140.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 342 | C | 87.7 | Confident | 88.8 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 67% | 0.669 | 43% | 0.425 | S | S | * | . | trans | -61.2 | 137.1 | 176.3 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | V344 | C342-V344 PolarHBondContact O-N 3.29Å; C342-V344 VanDerWaalsContact O-N 3.16Å | ||
| 343 | I | 92.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 9% | 0.087 | 41% | 0.408 | C | S | . | . | trans | -70.4 | 113.3 | -180 | -65.8 | 159.5 | 0 | 0 | 0 | 109.2 | L179 L182 Q227 T230 V231 L298 L301 | L179-I343 HydrophobicContact CD2-CD1 3.48Å; L179-I343 VanDerWaalsContact CD2-CD1 3.48Å; L179-I343 HydrophobicContact CD2-CG1 4.23Å; L182-I343 HydrophobicContact CD2-CD1 3.44Å; L182-I343 VanDerWaalsContact CD2-CD1 3.44Å; Q227-I343 HydrophobicContact CB-CG2 3.98Å; Q227-I343 HydrophobicContact CG-CG2 4.11Å; Q227-I343 PolarHBondContact NE2-O 3.29Å; T230-I343 HydrophobicContact CG2-CG2 3.91Å; V231-I343 HydrophobicContact CG2-CD1 3.56Å; V231-I343 HydrophobicContact CG2-CG1 4.36Å; V231-I343 HydrophobicContact CG2-CG2 4.21Å; L298-I343 HydrophobicContact CD2-CD1 3.94Å; L301-I343 HydrophobicContact CD2-CD1 4.13Å; L301-I343 HydrophobicContact CD2-CG1 3.89Å | ||
| 344 | V | 93.3 | Very high | 86.8 | Confident | 110 Ų | 110 | 66.8 Ų | 66.8 | 67% | 0.667 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -66 | 130.5 | 171.3 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | T230 C342 | T230-V344 WeakPolarHBondContact CB-O 3.33Å; T230-V344 WeakPolarHBondContact CG2-O 3.39Å; T230-V344 PolarHBondContact OG1-O 3.11Å; C342-V344 PolarHBondContact O-N 3.29Å; C342-V344 VanDerWaalsContact O-N 3.16Å |
| 345 | P | 94.7 | Very high | 85.4 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 41% | 0.409 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 133.3 | 178.1 | 28 | -34.5 | 0 | 0 | 0 | 111.5 | T223 Q227 | T223-P345 WeakPolarHBondContact O-CB 3.42Å; Q227-P345 HydrophobicContact CG-CB 4.09Å |
| 346 | S | 92.7 | Very high | 84.1 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 141.5 | 170.9 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | G226 T230 L348 | G226-S346 WeakPolarHBondContact O-CB 3.27Å; G226-S346 PolarHBondContact O-N 3.43Å; T230-S346 PolarHBondContact OG1-N 2.94Å; S346-L348 PolarHBondContact O-N 3.08Å |
| 347 | P | 91.2 | Very high | 82.6 | Confident | 119 Ų | 119 | 82.5 Ų | 82.5 | 77% | 0.773 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -59 | 128.5 | 175.9 | 24.6 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 348 | L | 90.6 | Very high | 81.4 | Confident | 48 Ų | 48 | 86.5 Ų | 86.5 | 25% | 0.251 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 163.7 | 175.7 | -58 | 177.5 | 0 | 0 | 0 | 110.5 | E222 L238 L257 S346 | E222-L348 HydrophobicContact CB-CD1 3.68Å; L238-L348 HydrophobicContact CD1-CD2 3.6Å; L257-L348 HydrophobicContact CD2-CD1 4.49Å; S346-L348 PolarHBondContact O-N 3.08Å |
| 349 | P | 89.5 | Confident | 80.4 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 33% | 0.325 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 145.3 | 171.2 | -24 | 34 | 0 | 0 | 0 | 111.6 | L238 Y240 R351 | L238-P349 HydrophobicContact CB-CG 3.71Å; Y240-P349 HydrophobicContact CD2-CB 4.28Å; Y240-P349 WeakPolarHBondContact CE2-O 3.48Å; P349-R351 PolarHBondContact O-N 2.91Å |
| 350 | I | 86.1 | Confident | 79.8 | Confident | 134 Ų | 134 | 89.7 Ų | 89.7 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 128.4 | 175.5 | -59.1 | 172.5 | 0 | 0 | 0 | 108.8 | ||
| 351 | R | 87.1 | Confident | 79.5 | Confident | 81 Ų | 81 | 91.6 Ų | 91.6 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -73 | 126.3 | 176.8 | -172.6 | -176.9 | -69.3 | -177.8 | -4.4 | 108.9 | E222 Y240 P349 S353 D354 | E222-R351 IonicContact OE1-NH2 3.49Å; E222-R351 PolarHBondContact OE1-NH2 3.05Å; E222-R351 IonicContact OE2-NH2 2.77Å; E222-R351 PolarHBondContact OE2-NH2 3.4Å; Y240-R351 HydrophobicContact CD1-CB 4.46Å; Y240-R351 HydrophobicContact CD1-CG 3.9Å; Y240-R351 HydrophobicContact CD2-CB 4.3Å; Y240-R351 HydrophobicContact CE1-CB 4.06Å; Y240-R351 HydrophobicContact CE1-CG 3.61Å; Y240-R351 HydrophobicContact CE2-CB 3.9Å; Y240-R351 HydrophobicContact CE2-CG 4.34Å; Y240-R351 HydrophobicContact CG-CG 4.36Å; Y240-R351 PolarHBondContact OH-NE 3.04Å; Y240-R351 VanDerWaalsContact OH-NE 3.09Å; Y240-R351 PolarHBondContact OH-NH2 3.43Å; P349-R351 PolarHBondContact O-N 2.91Å; R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 VanDerWaalsContact CG-OG 3.26Å; R351-S353 WeakPolarHBondContact CG-OG 3.3Å; R351-S353 PolarHBondContact O-N 2.79Å; R351-S353 VanDerWaalsContact O-N 3.14Å; R351-D354 WeakPolarHBondContact O-CB 3.37Å; R351-D354 PolarHBondContact O-N 2.78Å |
| 352 | P | 81.3 | Confident | 79.3 | Confident | 43 Ų | 43 | 91.7 Ų | 91.7 | 28% | 0.279 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -24.4 | -170.7 | -25.1 | 34.5 | 0 | 0 | 0 | 115.1 | Y255 D354 L355 E356 | Y255-P352 HydrophobicContact CD1-CB 4.03Å; Y255-P352 HydrophobicContact CD1-CG 3.76Å; Y255-P352 HydrophobicContact CD2-CB 4.34Å; Y255-P352 HydrophobicContact CE1-CB 3.61Å; Y255-P352 HydrophobicContact CE1-CG 3.72Å; Y255-P352 HydrophobicContact CE2-CB 3.96Å; Y255-P352 HydrophobicContact CG-CB 4.37Å; Y255-P352 HydrophobicContact CG-CG 4.28Å; P352-D354 PolarHBondContact O-N 3.11Å; P352-L355 WeakPolarHBondContact O-CB 3.37Å; P352-L355 PolarHBondContact O-N 3.24Å; P352-E356 PolarHBondContact O-N 2.9Å |
| 353 | S | 71.5 | Confident | 79.1 | Confident | 49 Ų | 49 | 94.2 Ų | 94.2 | 34% | 0.343 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -25.2 | 171.2 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | R351 | R351-S353 WeakPolarHBondContact CD-OG 3.44Å; R351-S353 VanDerWaalsContact CG-OG 3.26Å; R351-S353 WeakPolarHBondContact CG-OG 3.3Å; R351-S353 PolarHBondContact O-N 2.79Å; R351-S353 VanDerWaalsContact O-N 3.14Å |
| 354 | D | 67 | Low | 78.6 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -90.2 | -15.8 | -172.5 | -48.9 | 0.5 | 0 | 0 | 0 | 110.1 | R351 P352 | R351-D354 WeakPolarHBondContact O-CB 3.37Å; R351-D354 PolarHBondContact O-N 2.78Å; P352-D354 PolarHBondContact O-N 3.11Å |
| 355 | L | 63 | Low | 77.9 | Confident | 141 Ų | 141 | 93 Ų | 93 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -86.1 | -29.4 | 167.9 | -155.2 | 80.4 | 0 | 0 | 0 | 111.8 | P352 Q357 | P352-L355 WeakPolarHBondContact O-CB 3.37Å; P352-L355 PolarHBondContact O-N 3.24Å; L355-Q357 PolarHBondContact O-N 3.45Å |
| 356 | E | 61.6 | Low | 77.2 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -71.9 | 90.6 | 172.4 | -69.8 | -175.6 | -132.7 | 0 | 0 | 109.8 | Y255 P352 K358 | Y255-E356 PolarHBondContact OH-OE1 2.98Å; P352-E356 PolarHBondContact O-N 2.9Å; E356-K358 PolarHBondContact O-N 3.34Å |
| 357 | Q | 58.6 | Low | 76.6 | Confident | 186 Ų | 186 | 98.3 Ų | 98.3 | 87% | 0.869 | 53% | 0.529 | S | S | * | . | trans | -46 | 107.9 | 178.6 | -73.8 | -174.9 | -15 | 0 | 0 | 111.6 | L355 I359 | L355-Q357 PolarHBondContact O-N 3.45Å; Q357-I359 PolarHBondContact O-N 3.35Å; Q357-I359 VanDerWaalsContact O-N 3.16Å | ||
| 358 | K | 62.4 | Low | 75.9 | Confident | 182 Ų | 182 | 93.9 Ų | 93.9 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | trans | -57.3 | 121.7 | -176.5 | -172.5 | 177.2 | -176.6 | 179.1 | 0 | 109.3 | E356 T360 | E356-K358 PolarHBondContact O-N 3.34Å; K358-T360 HydrophobicContact CG-CG2 4.49Å; K358-T360 PolarHBondContact O-N 3.24Å | ||
| 359 | I | 66.5 | Low | 75.1 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | trans | -69.3 | 93 | -177.7 | -60 | 172.6 | 0 | 0 | 0 | 109.1 | Q357 A365 A368 | Q357-I359 PolarHBondContact O-N 3.35Å; Q357-I359 VanDerWaalsContact O-N 3.16Å; I359-A365 VanDerWaalsContact CG2-CA 3.46Å; I359-A365 HydrophobicContact CG2-CB 3.54Å; I359-A368 HydrophobicContact CD1-CB 3.55Å; I359-A368 HydrophobicContact CG1-CB 4.5Å | ||
| 360 | T | 69.5 | Low | 74.6 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 79% | 0.791 | 54% | 0.537 | S | S | * | . | trans | -98.2 | -19.8 | 177.8 | 50.2 | 0 | 0 | 0 | 0 | 113 | K358 | K358-T360 HydrophobicContact CG-CG2 4.49Å; K358-T360 PolarHBondContact O-N 3.24Å | ||
| 361 | S | 80.5 | Confident | 74.1 | Confident | 47 Ų | 47 | 98.4 Ų | 98.4 | 33% | 0.329 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -109.8 | 136.2 | -179.6 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | K363 D364 A365 | S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 PolarHBondContact OG-N 3.39Å; S361-D364 WeakPolarHBondContact CB-OD2 3.22Å; S361-D364 PolarHBondContact O-N 3.41Å; S361-A365 PolarHBondContact O-N 2.96Å |
| 362 | A | 78.8 | Confident | 73.6 | Confident | 81 Ų | 81 | 102.4 Ų | 102.4 | 67% | 0.669 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58 | -31.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D364 A365 V366 | A362-D364 VanDerWaalsContact C-N 3.32Å; A362-D364 PolarHBondContact O-N 2.92Å; A362-A365 WeakPolarHBondContact O-CB 3.26Å; A362-A365 PolarHBondContact O-N 2.92Å; A362-V366 WeakPolarHBondContact O-CG2 3.43Å; A362-V366 PolarHBondContact O-N 3.23Å |
| 363 | K | 82.5 | Confident | 73.4 | Confident | 152 Ų | 152 | 101.8 Ų | 101.8 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -39.5 | 176 | -170.7 | 174.7 | -174.5 | 174.2 | 0 | 111.7 | S361 K367 | S361-K363 PolarHBondContact O-N 3.23Å; S361-K363 PolarHBondContact OG-N 3.39Å; K363-K367 WeakPolarHBondContact O-CG 3.29Å; K363-K367 PolarHBondContact O-N 3.23Å; K363-K367 VanDerWaalsContact O-N 3.16Å |
| 364 | D | 81.7 | Confident | 73.5 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 33% | 0.332 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -83.1 | -25.6 | -179.9 | -59 | -59.3 | 0 | 0 | 0 | 111.8 | S361 A362 K367 A368 | S361-D364 WeakPolarHBondContact CB-OD2 3.22Å; S361-D364 PolarHBondContact O-N 3.41Å; A362-D364 VanDerWaalsContact C-N 3.32Å; A362-D364 PolarHBondContact O-N 2.92Å; D364-K367 PolarHBondContact O-N 3.39Å; D364-K367 WeakPolarHBondContact OD1-CD 3.49Å; D364-K367 VanDerWaalsContact OD1-CE 3.27Å; D364-K367 WeakPolarHBondContact OD1-CE 3.21Å; D364-K367 IonicContact OD1-NZ 3.51Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å; D364-A368 VanDerWaalsContact O-CB 3.3Å; D364-A368 WeakPolarHBondContact O-CB 3.05Å; D364-A368 PolarHBondContact O-N 2.81Å |
| 365 | A | 78.6 | Confident | 73.6 | Confident | 39 Ų | 39 | 105.8 Ų | 105.8 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | I359 S361 A362 A368 F369 | I359-A365 VanDerWaalsContact CG2-CA 3.46Å; I359-A365 HydrophobicContact CG2-CB 3.54Å; S361-A365 PolarHBondContact O-N 2.96Å; A362-A365 WeakPolarHBondContact O-CB 3.26Å; A362-A365 PolarHBondContact O-N 2.92Å; A365-A368 PolarHBondContact O-N 2.92Å; A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.42Å |
| 366 | V | 81.7 | Confident | 74.1 | Confident | 98 Ų | 98 | 108.4 Ų | 108.4 | 59% | 0.594 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | A362 A368 F369 Q370 | A362-V366 WeakPolarHBondContact O-CG2 3.43Å; A362-V366 PolarHBondContact O-N 3.23Å; V366-A368 PolarHBondContact O-N 3.27Å; V366-F369 PolarHBondContact O-N 3.48Å; V366-Q370 WeakPolarHBondContact O-CB 3.2Å; V366-Q370 PolarHBondContact O-N 3.22Å |
| 367 | K | 79.6 | Confident | 74.6 | Confident | 116 Ų | 116 | 108.6 Ų | 108.6 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57 | -48.3 | 174.1 | -69.7 | 177.3 | -167.2 | 163.4 | 0 | 112.1 | K363 D364 F369 Q370 A371 | K363-K367 WeakPolarHBondContact O-CG 3.29Å; K363-K367 PolarHBondContact O-N 3.23Å; K363-K367 VanDerWaalsContact O-N 3.16Å; D364-K367 PolarHBondContact O-N 3.39Å; D364-K367 WeakPolarHBondContact OD1-CD 3.49Å; D364-K367 VanDerWaalsContact OD1-CE 3.27Å; D364-K367 WeakPolarHBondContact OD1-CE 3.21Å; D364-K367 IonicContact OD1-NZ 3.51Å; D364-K367 PolarHBondContact OD1-NZ 2.96Å; K367-F369 VanDerWaalsContact C-N 3.35Å; K367-F369 PolarHBondContact O-N 2.94Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-A371 WeakPolarHBondContact O-CB 3.41Å; K367-A371 PolarHBondContact O-N 2.98Å |
| 368 | A | 76.4 | Confident | 75.2 | Confident | 27 Ų | 27 | 101.6 Ų | 101.6 | 22% | 0.223 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I359 D364 A365 V366 R372 | I359-A368 HydrophobicContact CD1-CB 3.55Å; I359-A368 HydrophobicContact CG1-CB 4.5Å; D364-A368 VanDerWaalsContact O-CB 3.3Å; D364-A368 WeakPolarHBondContact O-CB 3.05Å; D364-A368 PolarHBondContact O-N 2.81Å; A365-A368 PolarHBondContact O-N 2.92Å; V366-A368 PolarHBondContact O-N 3.27Å; A368-R372 WeakPolarHBondContact O-CB 3.39Å; A368-R372 WeakPolarHBondContact O-CD 3.42Å; A368-R372 WeakPolarHBondContact O-CG 3.37Å; A368-R372 PolarHBondContact O-N 2.78Å |
| 369 | F | 73.7 | Confident | 75.6 | Confident | 159 Ų | 159 | 98 Ų | 98 | 70% | 0.697 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 174.1 | -163.8 | -86.5 | 0 | 0 | 0 | 111.4 | A365 V366 K367 A371 R372 A373 | A365-F369 WeakPolarHBondContact O-CB 3.47Å; A365-F369 PolarHBondContact O-N 3.42Å; V366-F369 PolarHBondContact O-N 3.48Å; K367-F369 VanDerWaalsContact C-N 3.35Å; K367-F369 PolarHBondContact O-N 2.94Å; F369-A371 PolarHBondContact O-N 2.88Å; F369-R372 PolarHBondContact O-N 3.22Å; F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.16Å |
| 370 | Q | 77.9 | Confident | 76.1 | Confident | 125 Ų | 125 | 97.8 Ų | 97.8 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 175.8 | -171.4 | 177.1 | 27.8 | 0 | 0 | 111.9 | V366 K367 A373 L374 | V366-Q370 WeakPolarHBondContact O-CB 3.2Å; V366-Q370 PolarHBondContact O-N 3.22Å; K367-Q370 PolarHBondContact O-N 2.92Å; Q370-A373 PolarHBondContact O-N 2.66Å; Q370-L374 HydrophobicContact CG-CD1 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.21Å; Q370-L374 PolarHBondContact O-N 2.77Å |
| 371 | A | 76.3 | Confident | 76 | Confident | 43 Ų | 43 | 95.6 Ų | 95.6 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | K367 F369 A373 L374 F375 | K367-A371 WeakPolarHBondContact O-CB 3.41Å; K367-A371 PolarHBondContact O-N 2.98Å; F369-A371 PolarHBondContact O-N 2.88Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 3.48Å; A371-L374 PolarHBondContact O-N 2.87Å; A371-F375 WeakPolarHBondContact O-CD2 3.39Å; A371-F375 PolarHBondContact O-N 3.22Å; A371-F375 VanDerWaalsContact O-N 3.13Å |
| 372 | R | 76.6 | Confident | 75.8 | Confident | 165 Ų | 165 | 99 Ų | 99 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -34.7 | 176.7 | -72.3 | 168.1 | -179.5 | -176.7 | 0.4 | 112.8 | A368 F369 R376 | A368-R372 WeakPolarHBondContact O-CB 3.39Å; A368-R372 WeakPolarHBondContact O-CD 3.42Å; A368-R372 WeakPolarHBondContact O-CG 3.37Å; A368-R372 PolarHBondContact O-N 2.78Å; F369-R372 PolarHBondContact O-N 3.22Å; R372-R376 PolarHBondContact O-N 2.96Å |
| 373 | A | 76.9 | Confident | 75.7 | Confident | 30 Ų | 30 | 101.6 Ų | 101.6 | 25% | 0.248 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -65.1 | -49.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F369 Q370 A371 F375 R376 E377 | F369-A373 WeakPolarHBondContact O-CB 3.29Å; F369-A373 PolarHBondContact O-N 3.16Å; Q370-A373 PolarHBondContact O-N 2.66Å; A371-A373 VanDerWaalsContact C-N 3.32Å; A371-A373 PolarHBondContact O-N 3.48Å; A373-F375 VanDerWaalsContact C-N 3.26Å; A373-F375 PolarHBondContact O-N 3.34Å; A373-R376 PolarHBondContact O-N 2.88Å; A373-E377 WeakPolarHBondContact O-CG 3.4Å; A373-E377 PolarHBondContact O-N 3.17Å |
| 374 | L | 73.3 | Confident | 75.4 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.1 | -34.7 | 177.8 | -71 | 169.8 | 0 | 0 | 0 | 113.2 | Q370 A371 A378 | Q370-L374 HydrophobicContact CG-CD1 4.49Å; Q370-L374 WeakPolarHBondContact O-CG 3.21Å; Q370-L374 PolarHBondContact O-N 2.77Å; A371-L374 PolarHBondContact O-N 2.87Å; L374-A378 VanDerWaalsContact O-CB 3.31Å; L374-A378 WeakPolarHBondContact O-CB 3.42Å; L374-A378 PolarHBondContact O-N 3.45Å |
| 375 | F | 70.3 | Confident | 74.9 | Confident | 148 Ų | 148 | 97.9 Ų | 97.9 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -47.1 | 172.1 | -75.3 | -65.6 | 0 | 0 | 0 | 112.3 | A371 A373 E377 A378 D379 | A371-F375 WeakPolarHBondContact O-CD2 3.39Å; A371-F375 PolarHBondContact O-N 3.22Å; A371-F375 VanDerWaalsContact O-N 3.13Å; A373-F375 VanDerWaalsContact C-N 3.26Å; A373-F375 PolarHBondContact O-N 3.34Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.48Å; F375-A378 WeakPolarHBondContact O-CB 3.07Å; F375-A378 PolarHBondContact O-N 3.46Å; F375-A378 VanDerWaalsContact O-N 3.16Å; F375-D379 PolarHBondContact O-N 2.96Å |
| 376 | R | 73.5 | Confident | 74.7 | Confident | 195 Ų | 195 | 100 Ų | 100 | 74% | 0.736 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 176.6 | -74.4 | -174 | 172.1 | -162.5 | -1.6 | 112.8 | R372 A373 T380 | R372-R376 PolarHBondContact O-N 2.96Å; A373-R376 PolarHBondContact O-N 2.88Å; R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.29Å; R376-T380 PolarHBondContact O-OG1 3.26Å |
| 377 | E | 72.5 | Confident | 74.1 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 173.9 | -72.7 | 169.3 | -163.3 | 0 | 0 | 111 | A373 F375 T380 C381 | A373-E377 WeakPolarHBondContact O-CG 3.4Å; A373-E377 PolarHBondContact O-N 3.17Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.48Å; E377-T380 PolarHBondContact O-N 2.83Å; E377-C381 VanDerWaalsContact O-CB 3.31Å; E377-C381 WeakPolarHBondContact O-CB 3.39Å; E377-C381 PolarHBondContact O-N 3.13Å; E377-C381 PolarHBondContact O-SG 3.03Å; E377-C381 VanDerWaalsContact O-SG 3.36Å |
| 378 | A | 69.9 | Low | 73 | Confident | 39 Ų | 39 | 100.4 Ų | 100.4 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L374 F375 T380 C381 H382 | L374-A378 VanDerWaalsContact O-CB 3.31Å; L374-A378 WeakPolarHBondContact O-CB 3.42Å; L374-A378 PolarHBondContact O-N 3.45Å; F375-A378 WeakPolarHBondContact O-CB 3.07Å; F375-A378 PolarHBondContact O-N 3.46Å; F375-A378 VanDerWaalsContact O-N 3.16Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 2.93Å; A378-C381 PolarHBondContact O-N 3.27Å; A378-H382 WeakPolarHBondContact O-CB 3.2Å; A378-H382 PolarHBondContact O-N 3.03Å |
| 379 | D | 71.6 | Confident | 72.1 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 176.2 | -68.5 | -27 | 0 | 0 | 0 | 111.4 | F375 H382 Q383 | F375-D379 PolarHBondContact O-N 2.96Å; D379-H382 WeakPolarHBondContact O-CB 3.07Å; D379-H382 PolarHBondContact O-N 3.03Å; D379-Q383 VanDerWaalsContact O-CG 3.24Å; D379-Q383 WeakPolarHBondContact O-CG 3.13Å; D379-Q383 PolarHBondContact O-N 2.97Å |
| 380 | T | 75.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 107.2 Ų | 107.2 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | R376 E377 A378 H382 Q383 I384 | R376-T380 WeakPolarHBondContact O-CB 3.41Å; R376-T380 PolarHBondContact O-N 3.29Å; R376-T380 PolarHBondContact O-OG1 3.26Å; E377-T380 PolarHBondContact O-N 2.83Å; A378-T380 VanDerWaalsContact C-N 3.34Å; A378-T380 PolarHBondContact O-N 2.93Å; T380-H382 VanDerWaalsContact C-N 3.3Å; T380-H382 PolarHBondContact O-N 3.11Å; T380-Q383 PolarHBondContact O-N 2.84Å; T380-I384 HydrophobicContact CG2-CD1 3.94Å; T380-I384 WeakPolarHBondContact O-CB 3.41Å; T380-I384 VanDerWaalsContact O-CG1 3.28Å; T380-I384 WeakPolarHBondContact O-CG1 3.33Å; T380-I384 PolarHBondContact O-N 2.63Å |
| 381 | C | 69.1 | Low | 69.5 | Low | 83 Ų | 83 | 108 Ų | 108 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -33.1 | 174.4 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | E377 A378 S385 | E377-C381 VanDerWaalsContact O-CB 3.31Å; E377-C381 WeakPolarHBondContact O-CB 3.39Å; E377-C381 PolarHBondContact O-N 3.13Å; E377-C381 PolarHBondContact O-SG 3.03Å; E377-C381 VanDerWaalsContact O-SG 3.36Å; A378-C381 PolarHBondContact O-N 3.27Å; C381-S385 WeakPolarHBondContact O-CB 3.43Å; C381-S385 PolarHBondContact O-N 3.31Å |
| 382 | H | 75.5 | Confident | 68 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 54% | 0.542 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -47.8 | 174 | -170.5 | 56.3 | 0 | 0 | 0 | 111.5 | A378 D379 T380 I384 S385 L386 | A378-H382 WeakPolarHBondContact O-CB 3.2Å; A378-H382 PolarHBondContact O-N 3.03Å; D379-H382 WeakPolarHBondContact O-CB 3.07Å; D379-H382 PolarHBondContact O-N 3.03Å; T380-H382 VanDerWaalsContact C-N 3.3Å; T380-H382 PolarHBondContact O-N 3.11Å; H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.1Å; H382-S385 WeakPolarHBondContact O-CB 3.25Å; H382-S385 PolarHBondContact O-N 3.45Å; H382-S385 VanDerWaalsContact O-N 3.1Å; H382-L386 WeakPolarHBondContact O-CG 3.32Å; H382-L386 PolarHBondContact O-N 2.76Å |
| 383 | Q | 77.6 | Confident | 66.5 | Low | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -56 | -44.5 | 173 | -67.5 | -92.2 | 9.7 | 0 | 0 | 112.3 | D379 T380 S385 L386 S387 | D379-Q383 VanDerWaalsContact O-CG 3.24Å; D379-Q383 WeakPolarHBondContact O-CG 3.13Å; D379-Q383 PolarHBondContact O-N 2.97Å; T380-Q383 PolarHBondContact O-N 2.84Å; Q383-S385 VanDerWaalsContact C-N 3.35Å; Q383-L386 PolarHBondContact O-N 3.09Å; Q383-S387 PolarHBondContact O-N 2.91Å; Q383-S387 PolarHBondContact O-OG 2.8Å |
| 384 | I | 75.9 | Confident | 65.2 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -34 | 176.9 | -68.2 | 167.4 | 0 | 0 | 0 | 111.6 | T380 H382 S387 K388 | T380-I384 HydrophobicContact CG2-CD1 3.94Å; T380-I384 WeakPolarHBondContact O-CB 3.41Å; T380-I384 VanDerWaalsContact O-CG1 3.28Å; T380-I384 WeakPolarHBondContact O-CG1 3.33Å; T380-I384 PolarHBondContact O-N 2.63Å; H382-I384 VanDerWaalsContact C-N 3.34Å; H382-I384 PolarHBondContact O-N 3.1Å; I384-S387 WeakPolarHBondContact CA-OG 3.47Å; I384-S387 PolarHBondContact O-OG 3.29Å; I384-K388 HydrophobicContact CG2-CD 4.11Å; I384-K388 WeakPolarHBondContact O-CB 3.5Å; I384-K388 VanDerWaalsContact O-CG 3.28Å; I384-K388 WeakPolarHBondContact O-CG 3.47Å; I384-K388 PolarHBondContact O-N 2.94Å |
| 385 | S | 71.6 | Confident | 63.9 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 40% | 0.399 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.8 | -40.5 | 175.8 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | C381 H382 Q383 Q389 | C381-S385 WeakPolarHBondContact O-CB 3.43Å; C381-S385 PolarHBondContact O-N 3.31Å; H382-S385 WeakPolarHBondContact O-CB 3.25Å; H382-S385 PolarHBondContact O-N 3.45Å; H382-S385 VanDerWaalsContact O-N 3.1Å; Q383-S385 VanDerWaalsContact C-N 3.35Å; S385-Q389 PolarHBondContact O-N 3.28Å |
| 386 | L | 73.5 | Confident | 62.6 | Low | 84 Ų | 84 | 114 Ų | 114 | 44% | 0.44 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.1 | -49.5 | 178.4 | -69.7 | 169.6 | 0 | 0 | 0 | 111.2 | H382 Q383 K388 Q389 | H382-L386 WeakPolarHBondContact O-CG 3.32Å; H382-L386 PolarHBondContact O-N 2.76Å; Q383-L386 PolarHBondContact O-N 3.09Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.4Å; L386-Q389 PolarHBondContact O-N 3.34Å; L386-Q389 VanDerWaalsContact O-N 3.08Å |
| 387 | S | 69.1 | Low | 61.8 | Low | 68 Ų | 68 | 110.8 Ų | 110.8 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.7 | -33.7 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | Q383 I384 Q389 Q390 | Q383-S387 PolarHBondContact O-N 2.91Å; Q383-S387 PolarHBondContact O-OG 2.8Å; I384-S387 WeakPolarHBondContact CA-OG 3.47Å; I384-S387 PolarHBondContact O-OG 3.29Å; S387-Q389 VanDerWaalsContact C-N 3.32Å; S387-Q389 PolarHBondContact O-N 3.14Å; S387-Q390 PolarHBondContact O-N 2.94Å |
| 388 | K | 57.3 | Low | 60.3 | Low | 153 Ų | 153 | 115 Ų | 115 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.5 | -20.2 | 174.1 | -78.3 | 178.9 | 178.1 | 179.7 | 0 | 114.7 | I384 L386 Q390 | I384-K388 HydrophobicContact CG2-CD 4.11Å; I384-K388 WeakPolarHBondContact O-CB 3.5Å; I384-K388 VanDerWaalsContact O-CG 3.28Å; I384-K388 WeakPolarHBondContact O-CG 3.47Å; I384-K388 PolarHBondContact O-N 2.94Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.4Å; K388-Q390 PolarHBondContact O-N 3.31Å |
| 389 | Q | 57.5 | Low | 58.8 | Low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -6.9 | 175.5 | -76 | -179.4 | -23.3 | 0 | 0 | 113.5 | S385 L386 S387 | S385-Q389 PolarHBondContact O-N 3.28Å; L386-Q389 PolarHBondContact O-N 3.34Å; L386-Q389 VanDerWaalsContact O-N 3.08Å; S387-Q389 VanDerWaalsContact C-N 3.32Å; S387-Q389 PolarHBondContact O-N 3.14Å |
| 390 | Q | 53.1 | Low | 57.2 | Low | 175 Ų | 175 | 122.6 Ų | 122.6 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 5.5 | -178.2 | -154.7 | 165.4 | -1.7 | 0 | 0 | 114 | S387 K388 | S387-Q390 PolarHBondContact O-N 2.94Å; K388-Q390 PolarHBondContact O-N 3.31Å |
| 391 | L | 43.2 | Very low | 55.5 | Low | 143 Ų | 143 | 125.1 Ų | 125.1 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -107.9 | 129.6 | 175.2 | -76.8 | 161 | 0 | 0 | 0 | 110.6 | ||
| 392 | S | 43.8 | Very low | 53.9 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.9 | -174.6 | 46.8 | 0 | 0 | 0 | 0 | 113 | I394 | S392-I394 PolarHBondContact O-N 2.83Š|
| 393 | P | 46 | Very low | 51.9 | Low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.6 | 177.6 | -19 | 32.1 | 0 | 0 | 0 | 111.6 | ||
| 394 | I | 49.8 | Very low | 50.1 | Low | 160 Ų | 160 | 123.7 Ų | 123.7 | 82% | 0.821 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.6 | 170.7 | -60.9 | 175.5 | 0 | 0 | 0 | 108.1 | S392 | S392-I394 PolarHBondContact O-N 2.83Š|
| 395 | P | 46.8 | Very low | 48.5 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 139.2 | -174.2 | 30.8 | -35.1 | 0 | 0 | 0 | 112.5 | P397 | P395-P397 WeakPolarHBondContact O-CD 3.31Š|
| 396 | S | 42.7 | Very low | 47.1 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 120.4 | -179.5 | -42.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 397 | P | 55.9 | Low | 45.2 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 156.1 | 167.3 | 31 | -33.8 | 0 | 0 | 0 | 111 | P395 | P395-P397 WeakPolarHBondContact O-CD 3.31Š|
| 398 | K | 41.4 | Very low | 43.7 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -105.1 | 131 | -171.9 | -63 | 173.4 | -177.6 | 173.4 | 0 | 112.1 | ||||
| 399 | K | 38.4 | Very low | 42.8 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 49.1 | 139.7 | 136.1 | -152.6 | -178.6 | -174.2 | -177.1 | 0 | 120.3 | ||||
| 400 | S | 37.8 | Very low | 42 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 92.7 | 154.1 | 151.7 | 78.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 401 | V | 40.4 | Very low | 41.1 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 62.2 | 104.1 | 178 | -162.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 402 | A | 33.8 | Very low | 40.9 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | cis | 84.1 | 159.8 | 42.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 403 | A | 34.9 | Very low | 40.7 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 77.7 | 101.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 404 | S | 39.9 | Very low | 40.4 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 171.4 | 149 | -44 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 405 | P | 42.5 | Very low | 39.8 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -150.6 | 141 | 100.8 | 35 | -16.7 | 0 | 0 | 0 | 118.7 | |||||
| 406 | L | 40.6 | Very low | 39.4 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | 39.6 | 135.1 | 136.2 | -69.1 | 95.6 | 0 | 0 | 0 | 124.6 | ||||
| 407 | K | 33.8 | Very low | 39.5 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 63.5 | 150.2 | 135.5 | -69 | -175.6 | 178.1 | -179.1 | 0 | 118.5 | ||||
| 408 | V | 38.5 | Very low | 38.7 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | cis | -145.3 | 151.4 | 39.3 | -82.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 409 | P | 38.1 | Very low | 38.7 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 138.9 | 162.6 | 37.6 | -25.3 | 0 | 0 | 0 | 114.3 | ||||
| 410 | V | 41.8 | Very low | 38.8 | Very low | 130 Ų | 130 | 124 Ų | 124 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -152.8 | 117.1 | 170.9 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 411 | T | 33.9 | Very low | 39 | Very low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | 88.3 | 150 | 66.9 | -48.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 412 | T | 38.4 | Very low | 39.1 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | 92.4 | 141.7 | 179.2 | 71.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 413 | D | 38.5 | Very low | 39.4 | Very low | 138 Ų | 138 | 128 Ų | 128 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -174.2 | 160.9 | -42.7 | -106.6 | -42.4 | 0 | 0 | 0 | 110.4 | ||||
| 414 | S | 39.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 97.5 | 120.4 | 161.8 | -42.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 415 | T | 38.9 | Very low | 39.3 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | 40.6 | 131.4 | 138.8 | 59.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 416 | A | 38.4 | Very low | 39.2 | Very low | 72 Ų | 72 | 130 Ų | 130 | 60% | 0.595 | 75% | 0.753 | S | S | * | * | cis | -168.7 | -165.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 417 | Y | 44.6 | Very low | 38.8 | Very low | 218 Ų | 218 | 129.8 Ų | 129.8 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | cis | -154.2 | 165.4 | 13.2 | -37.8 | -110.6 | 0 | 0 | 0 | 112.3 | ||||
| 418 | T | 38 | Very low | 38.7 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | 29.1 | 111.6 | 144.4 | -49 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 419 | T | 41 | Very low | 38.6 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | -157.7 | 124.8 | 113.3 | 0.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 420 | S | 42.1 | Very low | 38.5 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 28.4 | 108.8 | 158.5 | 56.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 421 | N | 41.4 | Very low | 38 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | 44.6 | 141.3 | 103 | -72.6 | 14.1 | 0 | 0 | 0 | 121.1 | |||||
| 422 | L | 42.4 | Very low | 38 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | cis | -170.5 | 166.2 | -9.4 | -163.9 | 67.6 | 0 | 0 | 0 | 110.9 | ||||
| 423 | V | 39.8 | Very low | 37.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 73.6 | 133.6 | 167.3 | -163.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 424 | G | 36.5 | Very low | 37.3 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | cis | 116.7 | 143.3 | 23.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 425 | T | 36.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | -152.1 | 138.4 | 19.9 | 47 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 426 | Q | 40.6 | Very low | 36.6 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 47 | 163.2 | 136.7 | -61.4 | -163.3 | 57.3 | 0 | 0 | 124.2 | ||||
| 427 | T | 31.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 74.7 | 107.5 | 173.6 | 64.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 428 | D | 33.2 | Very low | 35.9 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | cis | 102.7 | 156 | 34.1 | -169.3 | 28 | 0 | 0 | 0 | 111.7 | ||||
| 429 | S | 36 | Very low | 36.2 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 94.7 | -175.9 | -56.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 430 | K | 35.2 | Very low | 36.4 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | 67.9 | 161.6 | 128.3 | -72.6 | -178.1 | 175.5 | 178.4 | 0 | 123.1 | |||||
| 431 | E | 30.9 | Very low | 36.9 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 82.1 | 103.1 | 157.9 | -131.6 | 96.8 | -95.9 | 0 | 0 | 119.1 | ||||
| 432 | S | 33.9 | Very low | 37.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | 42.5 | 90.5 | 152.9 | 55.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 433 | K | 30.2 | Very low | 38.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -90 | 176.4 | 152.8 | -105.4 | -171.3 | 178.3 | -175.5 | 0 | 111.7 | ||||
| 434 | D | 33.1 | Very low | 39.3 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 70.4 | 105.6 | 172.9 | -55.8 | -4.7 | 0 | 0 | 0 | 114.2 | ||||
| 435 | E | 29.9 | Very low | 40.1 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | cis | 54.3 | 70.8 | 16.3 | -93.5 | -128.1 | 126.4 | 0 | 0 | 113.7 | ||||
| 436 | M | 33.6 | Very low | 41.6 | Very low | 171 Ų | 171 | 133 Ų | 133 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | trans | -143.1 | 100.9 | 148.1 | -140.1 | -179.7 | 178.2 | 0 | 0 | 115.7 | ||||
| 437 | V | 38.9 | Very low | 43.1 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | trans | 47.3 | 102.1 | 139.1 | -173.4 | 0 | 0 | 0 | 0 | 117.2 | S439 | V437-S439 PolarHBondContact O-N 2.95Š| ||
| 438 | T | 30.1 | Very low | 45.5 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | trans | -48.3 | 108.1 | 153.9 | 49.2 | 0 | 0 | 0 | 0 | 112 | T440 L449 | T438-T440 PolarHBondContact O-N 2.73Å; T438-L449 HydrophobicContact CG2-CD1 3.93Å; T438-L449 WeakPolarHBondContact OG1-CD1 3.36Å | ||
| 439 | S | 43.1 | Very low | 47.9 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -77.6 | 87.1 | 175.6 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | V437 | V437-S439 PolarHBondContact O-N 2.95Š| ||
| 440 | T | 46 | Very low | 50.2 | Low | 40 Ų | 40 | 120.6 Ų | 120.6 | 25% | 0.245 | 67% | 0.665 | C | S | . | * | trans | -61.5 | 146.5 | 160.9 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | T438 N442 L452 | T438-T440 PolarHBondContact O-N 2.73Å; T440-N442 PolarHBondContact O-N 3.06Å; T440-L452 HydrophobicContact CG2-CD1 4.15Å | ||
| 441 | P | 51.8 | Low | 52.5 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | trans | -60.1 | 142.9 | 177.2 | 26.5 | -35 | 0 | 0 | 0 | 109.8 | N443 L444 | P441-N443 PolarHBondContact O-N 3.18Å; P441-L444 HydrophobicContact CG-CD1 3.8Å; P441-L444 HydrophobicContact CG-CG 4.23Å; P441-L444 PolarHBondContact O-N 3.45Å | ||
| 442 | N | 56.3 | Low | 55 | Low | 133 Ų | 133 | 108.9 Ų | 108.9 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -56 | -18.1 | -165 | -73.4 | -29.1 | 0 | 0 | 0 | 115.8 | T440 L444 | T440-N442 PolarHBondContact O-N 3.06Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.09Å |
| 443 | N | 60.5 | Low | 57.6 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 86% | 0.856 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -80.8 | 3.8 | 174.6 | -62.6 | 3.8 | 0 | 0 | 0 | 114.2 | P441 | P441-N443 PolarHBondContact O-N 3.18Š|
| 444 | L | 57.9 | Low | 60.4 | Low | 50 Ų | 50 | 105.5 Ų | 105.5 | 26% | 0.262 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -123.2 | 17.6 | -178.9 | -61.8 | 179 | 0 | 0 | 0 | 113.9 | P441 N442 G446 I447 L452 | P441-L444 HydrophobicContact CG-CD1 3.8Å; P441-L444 HydrophobicContact CG-CG 4.23Å; P441-L444 PolarHBondContact O-N 3.45Å; N442-L444 VanDerWaalsContact C-N 3.27Å; N442-L444 PolarHBondContact O-N 3.09Å; L444-G446 PolarHBondContact O-N 2.84Å; L444-G446 VanDerWaalsContact O-N 3.14Å; L444-I447 HydrophobicContact CD2-CD1 4.01Å; L444-I447 PolarHBondContact O-N 3.43Å; L444-L452 HydrophobicContact CD1-CD1 4.13Å; L444-L452 HydrophobicContact CD1-CD2 4Å; L444-L452 HydrophobicContact CD2-CD2 4.47Å |
| 445 | K | 53.8 | Low | 63 | Low | 177 Ų | 177 | 102.4 Ų | 102.4 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 113.9 | 170.7 | -84.4 | -173.9 | 172.9 | -178.4 | 0 | 110 | ||
| 446 | G | 67.8 | Low | 65.7 | Low | 86 Ų | 86 | 99.2 Ų | 99.2 | 89% | 0.887 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118 | -11 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L444 | L444-G446 PolarHBondContact O-N 2.84Å; L444-G446 VanDerWaalsContact O-N 3.14Å |
| 447 | I | 71.9 | Confident | 68.3 | Low | 80 Ų | 80 | 93.3 Ų | 93.3 | 41% | 0.41 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -101.5 | 130.6 | 178.4 | -57.6 | 173.6 | 0 | 0 | 0 | 109.7 | L444 L451 L452 | L444-I447 HydrophobicContact CD2-CD1 4.01Å; L444-I447 PolarHBondContact O-N 3.43Å; I447-L451 HydrophobicContact CG2-CB 4.4Å; I447-L451 HydrophobicContact CG2-CD2 4.14Å; I447-L452 HydrophobicContact CG2-CD2 3.94Å; I447-L452 HydrophobicContact CG2-CG 3.9Å |
| 448 | S | 81.5 | Confident | 70.6 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | trans | -67.6 | 142.5 | -177.6 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | S450 L451 L452 | S448-S450 PolarHBondContact O-N 3.47Å; S448-S450 PolarHBondContact OG-OG 3.12Å; S448-L451 PolarHBondContact O-N 3Å; S448-L451 WeakPolarHBondContact OG-CB 3.05Å; S448-L451 PolarHBondContact OG-N 2.9Å; S448-L452 PolarHBondContact O-N 3.09Å | ||
| 449 | L | 83.2 | Confident | 73.2 | Confident | 72 Ų | 72 | 96.8 Ų | 96.8 | 38% | 0.377 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.7 | -33.9 | 175.5 | -100.4 | 158.8 | 0 | 0 | 0 | 112.7 | T438 L452 N453 | T438-L449 HydrophobicContact CG2-CD1 3.93Å; T438-L449 WeakPolarHBondContact OG1-CD1 3.36Å; L449-L452 PolarHBondContact O-N 3.48Å; L449-N453 WeakPolarHBondContact O-CB 3.33Å; L449-N453 VanDerWaalsContact O-CG 3.28Å; L449-N453 PolarHBondContact O-N 3.46Å; L449-N453 PolarHBondContact O-ND2 3.3Å |
| 450 | S | 84 | Confident | 75.2 | Confident | 89 Ų | 89 | 96 Ų | 96 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | S448 K454 | S448-S450 PolarHBondContact O-N 3.47Å; S448-S450 PolarHBondContact OG-OG 3.12Å; S450-K454 WeakPolarHBondContact O-CB 3.29Å; S450-K454 PolarHBondContact O-N 3.03Å |
| 451 | L | 83.6 | Confident | 76.9 | Confident | 93 Ų | 93 | 99.7 Ų | 99.7 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 175.1 | -171.9 | 63.2 | 0 | 0 | 0 | 111.3 | I447 S448 N453 K454 V455 | I447-L451 HydrophobicContact CG2-CB 4.4Å; I447-L451 HydrophobicContact CG2-CD2 4.14Å; S448-L451 PolarHBondContact O-N 3Å; S448-L451 WeakPolarHBondContact OG-CB 3.05Å; S448-L451 PolarHBondContact OG-N 2.9Å; L451-N453 VanDerWaalsContact C-N 3.34Å; L451-N453 PolarHBondContact O-N 2.79Å; L451-K454 PolarHBondContact O-N 2.86Å; L451-K454 VanDerWaalsContact O-N 3.14Å; L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.55Å |
| 452 | L | 84.9 | Confident | 78.1 | Confident | 23 Ų | 23 | 104 Ų | 104 | 12% | 0.12 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 176.7 | -69.4 | 172.7 | 0 | 0 | 0 | 112.1 | T440 L444 I447 S448 L449 V455 R456 | T440-L452 HydrophobicContact CG2-CD1 4.15Å; L444-L452 HydrophobicContact CD1-CD1 4.13Å; L444-L452 HydrophobicContact CD1-CD2 4Å; L444-L452 HydrophobicContact CD2-CD2 4.47Å; I447-L452 HydrophobicContact CG2-CD2 3.94Å; I447-L452 HydrophobicContact CG2-CG 3.9Å; S448-L452 PolarHBondContact O-N 3.09Å; L449-L452 PolarHBondContact O-N 3.48Å; L452-V455 PolarHBondContact O-N 2.7Å; L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.93Å |
| 453 | N | 86.6 | Confident | 79.1 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.1 | -71.5 | -14.5 | 0 | 0 | 0 | 111.9 | L449 L451 R456 A457 | L449-N453 WeakPolarHBondContact O-CB 3.33Å; L449-N453 VanDerWaalsContact O-CG 3.28Å; L449-N453 PolarHBondContact O-N 3.46Å; L449-N453 PolarHBondContact O-ND2 3.3Å; L451-N453 VanDerWaalsContact C-N 3.34Å; L451-N453 PolarHBondContact O-N 2.79Å; N453-R456 PolarHBondContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-NH1 2.93Å; N453-A457 WeakPolarHBondContact O-CB 3.39Å; N453-A457 PolarHBondContact O-N 3.47Å |
| 454 | K | 91 | Very high | 79.8 | Confident | 153 Ų | 153 | 101.6 Ų | 101.6 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.9 | -33.5 | 177.4 | -163.8 | 168.7 | -170.9 | 171.1 | 0 | 113.1 | S450 L451 R458 | S450-K454 WeakPolarHBondContact O-CB 3.29Å; S450-K454 PolarHBondContact O-N 3.03Å; L451-K454 PolarHBondContact O-N 2.86Å; L451-K454 VanDerWaalsContact O-N 3.14Å; K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.76Å; K454-R458 VanDerWaalsContact O-N 3.11Å |
| 455 | V | 85.6 | Confident | 80.6 | Confident | 71 Ų | 71 | 104.6 Ų | 104.6 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -51.4 | 171.9 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L451 L452 A457 R458 E459 | L451-V455 WeakPolarHBondContact O-CG2 3.4Å; L451-V455 PolarHBondContact O-N 2.55Å; L452-V455 PolarHBondContact O-N 2.7Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.18Å; V455-R458 PolarHBondContact O-N 3.12Å; V455-R458 VanDerWaalsContact O-N 3.13Å; V455-E459 HydrophobicContact CG1-CG 4.32Å; V455-E459 WeakPolarHBondContact O-CG 3.49Å; V455-E459 PolarHBondContact O-N 2.93Å |
| 456 | R | 88.1 | Confident | 81.3 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | 177 | -67.9 | -179.8 | -156.2 | 137.5 | 2.5 | 112.6 | L452 N453 E459 N460 | L452-R456 WeakPolarHBondContact O-CG 3.33Å; L452-R456 PolarHBondContact O-N 2.93Å; N453-R456 PolarHBondContact O-N 3.1Å; N453-R456 PolarHBondContact OD1-NH1 2.93Å; R456-E459 PolarHBondContact O-N 3.31Å; R456-N460 WeakPolarHBondContact O-CB 3.49Å; R456-N460 PolarHBondContact O-N 2.67Å |
| 457 | A | 87 | Confident | 81.1 | Confident | 47 Ų | 47 | 100.8 Ų | 100.8 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | N453 V455 E459 N460 E461 | N453-A457 WeakPolarHBondContact O-CB 3.39Å; N453-A457 PolarHBondContact O-N 3.47Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.18Å; A457-E459 VanDerWaalsContact C-N 3.35Å; A457-E459 PolarHBondContact O-N 3.09Å; A457-N460 PolarHBondContact O-N 2.78Å; A457-E461 WeakPolarHBondContact O-CB 3.43Å; A457-E461 WeakPolarHBondContact O-CG 3.35Å; A457-E461 PolarHBondContact O-N 3.03Å |
| 458 | R | 88.2 | Confident | 80.9 | Confident | 182 Ų | 182 | 103.3 Ų | 103.3 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -34.5 | 177.4 | 177.4 | 172.3 | -77.7 | -172 | -7 | 113.4 | K454 V455 R462 | K454-R458 WeakPolarHBondContact O-CB 3.3Å; K454-R458 PolarHBondContact O-N 2.76Å; K454-R458 VanDerWaalsContact O-N 3.11Å; V455-R458 PolarHBondContact O-N 3.12Å; V455-R458 VanDerWaalsContact O-N 3.13Å; R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.49Å; R458-R462 PolarHBondContact O-N 2.74Å |
| 459 | E | 85.3 | Confident | 80.1 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 174.1 | -73.6 | -172.7 | 138.5 | 0 | 0 | 112 | V455 R456 A457 R462 R463 | V455-E459 HydrophobicContact CG1-CG 4.32Å; V455-E459 WeakPolarHBondContact O-CG 3.49Å; V455-E459 PolarHBondContact O-N 2.93Å; R456-E459 PolarHBondContact O-N 3.31Å; A457-E459 VanDerWaalsContact C-N 3.35Å; A457-E459 PolarHBondContact O-N 3.09Å; E459-R462 PolarHBondContact O-N 3.47Å; E459-R463 WeakPolarHBondContact O-CB 3.47Å; E459-R463 PolarHBondContact O-N 3.02Å |
| 460 | N | 83.5 | Confident | 78.8 | Confident | 102 Ų | 102 | 109.6 Ų | 109.6 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 174.2 | -76.3 | -4.4 | 0 | 0 | 0 | 111.7 | R456 A457 R462 R463 L464 | R456-N460 WeakPolarHBondContact O-CB 3.49Å; R456-N460 PolarHBondContact O-N 2.67Å; A457-N460 PolarHBondContact O-N 2.78Å; N460-R462 VanDerWaalsContact C-N 3.35Å; N460-R462 PolarHBondContact O-N 3.41Å; N460-R463 PolarHBondContact O-N 3.19Å; N460-L464 VanDerWaalsContact O-CB 3.25Å; N460-L464 WeakPolarHBondContact O-CB 3.47Å; N460-L464 PolarHBondContact O-N 3.19Å |
| 461 | E | 82.6 | Confident | 77.6 | Confident | 117 Ų | 117 | 108 Ų | 108 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 171.5 | -74 | 169.2 | 175.9 | 0 | 0 | 111.2 | A457 L464 L465 | A457-E461 WeakPolarHBondContact O-CB 3.43Å; A457-E461 WeakPolarHBondContact O-CG 3.35Å; A457-E461 PolarHBondContact O-N 3.03Å; E461-L464 PolarHBondContact O-N 2.91Å; E461-L465 WeakPolarHBondContact O-CB 3.49Å; E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.85Å |
| 462 | R | 77.8 | Confident | 76.9 | Confident | 175 Ų | 175 | 113.5 Ų | 113.5 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.1 | -42 | 177.5 | -175.7 | 178.3 | 175.7 | -175.8 | -1.1 | 112.1 | R458 E459 N460 T466 | R458-R462 VanDerWaalsContact O-CB 3.29Å; R458-R462 WeakPolarHBondContact O-CB 3.49Å; R458-R462 PolarHBondContact O-N 2.74Å; E459-R462 PolarHBondContact O-N 3.47Å; N460-R462 VanDerWaalsContact C-N 3.35Å; N460-R462 PolarHBondContact O-N 3.41Å; R462-T466 WeakPolarHBondContact O-CB 3.36Å; R462-T466 PolarHBondContact O-N 3.22Å; R462-T466 PolarHBondContact O-OG1 3.39Å |
| 463 | R | 76 | Confident | 76.5 | Confident | 147 Ų | 147 | 113.3 Ų | 113.3 | 56% | 0.555 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.5 | -53 | 173.1 | -85.8 | -165.5 | 174.7 | 98.8 | 2.4 | 110.6 | E459 N460 L465 T466 E467 | E459-R463 WeakPolarHBondContact O-CB 3.47Å; E459-R463 PolarHBondContact O-N 3.02Å; N460-R463 PolarHBondContact O-N 3.19Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.24Å; R463-T466 CarbonylContact O-C 3.59Å; R463-T466 WeakPolarHBondContact O-CA 3.39Å; R463-T466 PolarHBondContact O-N 3.14Å; R463-E467 WeakPolarHBondContact O-CG 3.47Å; R463-E467 PolarHBondContact O-N 3.03Å |
| 464 | L | 76.3 | Confident | 76.1 | Confident | 96 Ų | 96 | 112.9 Ų | 112.9 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.2 | -42.7 | -179.9 | -178.1 | 62.8 | 0 | 0 | 0 | 111.7 | N460 E461 T466 E467 L468 | N460-L464 VanDerWaalsContact O-CB 3.25Å; N460-L464 WeakPolarHBondContact O-CB 3.47Å; N460-L464 PolarHBondContact O-N 3.19Å; E461-L464 PolarHBondContact O-N 2.91Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 2.85Å; L464-E467 PolarHBondContact O-N 3.33Å; L464-L468 HydrophobicContact CD1-CD1 4.04Å; L464-L468 HydrophobicContact CD1-CG 4.12Å; L464-L468 HydrophobicContact CG-CD1 3.86Å; L464-L468 HydrophobicContact CG-CG 4.36Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.44Å; L464-L468 PolarHBondContact O-N 2.86Å |
| 465 | L | 73.3 | Confident | 75.5 | Confident | 112 Ų | 112 | 112.8 Ų | 112.8 | 59% | 0.586 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -37.5 | 174.3 | -75.8 | 170.6 | 0 | 0 | 0 | 112.3 | E461 R463 T469 | E461-L465 WeakPolarHBondContact O-CB 3.49Å; E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.39Å; E461-L465 PolarHBondContact O-N 2.85Å; R463-L465 VanDerWaalsContact C-N 3.34Å; R463-L465 PolarHBondContact O-N 3.24Å; L465-T469 VanDerWaalsContact O-CB 3.28Å; L465-T469 WeakPolarHBondContact O-CB 3.24Å; L465-T469 PolarHBondContact O-N 2.91Å; L465-T469 VanDerWaalsContact O-N 3.07Å; L465-T469 PolarHBondContact O-OG1 2.98Å |
| 466 | T | 68.3 | Low | 75.4 | Confident | 55 Ų | 55 | 112.9 Ų | 112.9 | 34% | 0.337 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.6 | -41.9 | 177.3 | -44.2 | 0 | 0 | 0 | 0 | 110.5 | R462 R463 L464 T469 Y470 | R462-T466 WeakPolarHBondContact O-CB 3.36Å; R462-T466 PolarHBondContact O-N 3.22Å; R462-T466 PolarHBondContact O-OG1 3.39Å; R463-T466 CarbonylContact O-C 3.59Å; R463-T466 WeakPolarHBondContact O-CA 3.39Å; R463-T466 PolarHBondContact O-N 3.14Å; L464-T466 VanDerWaalsContact C-N 3.33Å; L464-T466 PolarHBondContact O-N 2.85Å; T466-T469 CarbonylContact O-C 3.48Å; T466-T469 PolarHBondContact O-N 3.29Å; T466-T469 VanDerWaalsContact O-N 3.12Å; T466-Y470 HydrophobicContact CG2-CD2 4.05Å; T466-Y470 HydrophobicContact CG2-CE1 4.46Å; T466-Y470 HydrophobicContact CG2-CE2 3.5Å; T466-Y470 VanDerWaalsContact O-CD2 3.26Å; T466-Y470 WeakPolarHBondContact O-CD2 3.49Å; T466-Y470 PolarHBondContact O-N 3.02Å |
| 467 | E | 64.1 | Low | 75.4 | Confident | 128 Ų | 128 | 109.8 Ų | 109.8 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 174.5 | -73 | 176.9 | 163.6 | 0 | 0 | 113 | R463 L464 T469 | R463-E467 WeakPolarHBondContact O-CG 3.47Å; R463-E467 PolarHBondContact O-N 3.03Å; L464-E467 PolarHBondContact O-N 3.33Å; E467-T469 VanDerWaalsContact C-N 3.27Å; E467-T469 PolarHBondContact O-N 2.87Å |
| 468 | L | 68.5 | Low | 75.3 | Confident | 134 Ų | 134 | 114.4 Ų | 114.4 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.2 | -18.3 | 173.2 | -69.6 | 171.7 | 0 | 0 | 0 | 113.3 | L464 | L464-L468 HydrophobicContact CD1-CD1 4.04Å; L464-L468 HydrophobicContact CD1-CG 4.12Å; L464-L468 HydrophobicContact CG-CD1 3.86Å; L464-L468 HydrophobicContact CG-CG 4.36Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.44Å; L464-L468 PolarHBondContact O-N 2.86Å |
| 469 | T | 64.3 | Low | 75.3 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -99 | -17.5 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | L465 T466 E467 G471 | L465-T469 VanDerWaalsContact O-CB 3.28Å; L465-T469 WeakPolarHBondContact O-CB 3.24Å; L465-T469 PolarHBondContact O-N 2.91Å; L465-T469 VanDerWaalsContact O-N 3.07Å; L465-T469 PolarHBondContact O-OG1 2.98Å; T466-T469 CarbonylContact O-C 3.48Å; T466-T469 PolarHBondContact O-N 3.29Å; T466-T469 VanDerWaalsContact O-N 3.12Å; E467-T469 VanDerWaalsContact C-N 3.27Å; E467-T469 PolarHBondContact O-N 2.87Å; T469-G471 PolarHBondContact O-N 3.15Å; T469-G471 VanDerWaalsContact O-N 3.09Å |
| 470 | Y | 55.9 | Low | 75.5 | Confident | 147 Ų | 147 | 103.3 Ų | 103.3 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | trans | -66.9 | 108.4 | 172.6 | -83.6 | -50.3 | 0 | 0 | 0 | 110.1 | T466 | T466-Y470 HydrophobicContact CG2-CD2 4.05Å; T466-Y470 HydrophobicContact CG2-CE1 4.46Å; T466-Y470 HydrophobicContact CG2-CE2 3.5Å; T466-Y470 VanDerWaalsContact O-CD2 3.26Å; T466-Y470 WeakPolarHBondContact O-CD2 3.49Å; T466-Y470 PolarHBondContact O-N 3.02Å | ||
| 471 | G | 59.9 | Low | 75.9 | Confident | 54 Ų | 54 | 98.4 Ų | 98.4 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | trans | -58.3 | 160.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T469 V473 | T469-G471 PolarHBondContact O-N 3.15Å; T469-G471 VanDerWaalsContact O-N 3.09Å; G471-V473 PolarHBondContact O-N 2.88Å | ||
| 472 | K | 68.8 | Low | 76.2 | Confident | 210 Ų | 210 | 96.7 Ų | 96.7 | 91% | 0.913 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -61 | -9.3 | -177 | -62.6 | 179.8 | -179.1 | 176.6 | 0 | 114.6 | ||
| 473 | V | 74.9 | Confident | 76.8 | Confident | 18 Ų | 18 | 92.5 Ų | 92.5 | 11% | 0.109 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -108.1 | 127.5 | -179.8 | -174.5 | 0 | 0 | 0 | 0 | 109 | G471 R477 R478 Y481 D573 V575 | G471-V473 PolarHBondContact O-N 2.88Å; V473-R477 HydrophobicContact CG1-CB 3.71Å; V473-R477 HydrophobicContact CG1-CG 3.73Å; V473-R478 HydrophobicContact CG1-CB 4.37Å; V473-Y481 HydrophobicContact CG1-CD2 4.2Å; V473-Y481 HydrophobicContact CG1-CE2 3.87Å; V473-Y481 HydrophobicContact CG2-CE2 4.02Å; V473-D573 HydrophobicContact CG2-CB 3.55Å; V473-V575 HydrophobicContact CB-CG2 4.11Å; V473-V575 HydrophobicContact CG2-CG2 4.01Å |
| 474 | S | 78.6 | Confident | 77.5 | Confident | 73 Ų | 73 | 85.5 Ų | 85.5 | 51% | 0.51 | 45% | 0.45 | S | S | . | . | trans | -60.5 | 150.1 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | A476 R477 R478 | S474-A476 VanDerWaalsContact C-N 3.27Å; S474-A476 PolarHBondContact O-N 3.42Å; S474-R477 PolarHBondContact O-N 3.31Å; S474-R478 PolarHBondContact O-N 3.2Å | ||
| 475 | E | 79.2 | Confident | 78.2 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.4 | -40.4 | -176.3 | -173.2 | 173 | -175.2 | 0 | 0 | 112.8 | R477 R478 A479 | E475-R477 PolarHBondContact O-N 3.04Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.07Å; E475-A479 PolarHBondContact O-N 2.88Å |
| 476 | A | 83.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.9 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S474 A479 I480 | S474-A476 VanDerWaalsContact C-N 3.27Å; S474-A476 PolarHBondContact O-N 3.42Å; A476-A479 WeakPolarHBondContact O-CB 3.36Å; A476-A479 PolarHBondContact O-N 3.45Å; A476-I480 PolarHBondContact O-N 2.89Å |
| 477 | R | 86.8 | Confident | 80.3 | Confident | 63 Ų | 63 | 77 Ų | 77 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.8 | -32.4 | 178.3 | -174.9 | 168.7 | 170 | 128.9 | -7.6 | 112.1 | V473 S474 E475 A479 I480 Y481 E534 | V473-R477 HydrophobicContact CG1-CB 3.71Å; V473-R477 HydrophobicContact CG1-CG 3.73Å; S474-R477 PolarHBondContact O-N 3.31Å; E475-R477 PolarHBondContact O-N 3.04Å; R477-A479 VanDerWaalsContact C-N 3.34Å; R477-I480 WeakPolarHBondContact O-CB 3.36Å; R477-I480 PolarHBondContact O-N 3.43Å; R477-Y481 HydrophobicContact CG-CD1 4.19Å; R477-Y481 HydrophobicContact CG-CE1 3.72Å; R477-Y481 PolarHBondContact NE-OH 3.04Å; R477-Y481 PolarHBondContact NH2-OH 3.47Å; R477-Y481 WeakPolarHBondContact O-CD1 3.27Å; R477-Y481 VanDerWaalsContact O-CG 3.28Å; R477-Y481 PolarHBondContact O-N 3.16Å; R477-E534 IonicContact CZ-OE1 3.96Å; R477-E534 IonicContact CZ-OE2 3.97Å; R477-E534 IonicContact NH1-OE1 2.83Å; R477-E534 PolarHBondContact NH1-OE1 2.93Å; R477-E534 IonicContact NH1-OE2 2.73Å; R477-E534 PolarHBondContact NH1-OE2 3.06Å; R477-E534 VanDerWaalsContact NH2-CD 3.27Å; R477-E534 IonicContact NH2-OE1 3.78Å; R477-E534 PolarHBondContact NH2-OE1 3.43Å; R477-E534 IonicContact NH2-OE2 3.31Å; R477-E534 PolarHBondContact NH2-OE2 2.92Å |
| 478 | R | 85.8 | Confident | 81.7 | Confident | 143 Ų | 143 | 71 Ų | 71 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 169.2 | -173.1 | 176.5 | -177.6 | -178.5 | 1.2 | 111.5 | V473 S474 E475 Y481 C482 V575 | V473-R478 HydrophobicContact CG1-CB 4.37Å; S474-R478 PolarHBondContact O-N 3.2Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.07Å; R478-Y481 WeakPolarHBondContact O-CB 3.19Å; R478-Y481 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-SG 2.87Å; R478-C482 VanDerWaalsContact O-SG 3.34Å; R478-V575 HydrophobicContact CG-CG1 3.89Å; R478-V575 HydrophobicContact CG-CG2 4.05Å |
| 479 | A | 87.6 | Confident | 82.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E475 A476 R477 R483 | E475-A479 PolarHBondContact O-N 2.88Å; A476-A479 WeakPolarHBondContact O-CB 3.36Å; A476-A479 PolarHBondContact O-N 3.45Å; R477-A479 VanDerWaalsContact C-N 3.34Å; A479-R483 PolarHBondContact O-NH1 2.84Å |
| 480 | I | 90.3 | Very high | 84.1 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -52 | 169.7 | -69.6 | 170.2 | 0 | 0 | 0 | 110.1 | A476 R477 C482 R483 L484 H528 V531 | A476-I480 PolarHBondContact O-N 2.89Å; R477-I480 WeakPolarHBondContact O-CB 3.36Å; R477-I480 PolarHBondContact O-N 3.43Å; I480-C482 VanDerWaalsContact C-N 3.3Å; I480-C482 PolarHBondContact O-N 3.12Å; I480-R483 PolarHBondContact O-N 3.5Å; I480-L484 HydrophobicContact CG2-CD2 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.31Å; I480-L484 PolarHBondContact O-N 3.25Å; I480-H528 HydrophobicContact CG2-CB 4.31Å; I480-V531 HydrophobicContact CD1-CG2 4.32Å; I480-V531 HydrophobicContact CG2-CB 4Å; I480-V531 HydrophobicContact CG2-CG1 3.92Å; I480-V531 HydrophobicContact CG2-CG2 4.23Å |
| 481 | Y | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52.8 | -43.8 | -177.9 | -73.1 | -2.5 | 0 | 0 | 0 | 112.8 | V473 R477 R478 R483 L484 V531 L535 V570 D573 V575 | V473-Y481 HydrophobicContact CG1-CD2 4.2Å; V473-Y481 HydrophobicContact CG1-CE2 3.87Å; V473-Y481 HydrophobicContact CG2-CE2 4.02Å; R477-Y481 HydrophobicContact CG-CD1 4.19Å; R477-Y481 HydrophobicContact CG-CE1 3.72Å; R477-Y481 PolarHBondContact NE-OH 3.04Å; R477-Y481 PolarHBondContact NH2-OH 3.47Å; R477-Y481 WeakPolarHBondContact O-CD1 3.27Å; R477-Y481 VanDerWaalsContact O-CG 3.28Å; R477-Y481 PolarHBondContact O-N 3.16Å; R478-Y481 WeakPolarHBondContact O-CB 3.19Å; R478-Y481 PolarHBondContact O-N 3.25Å; Y481-R483 PolarHBondContact O-N 3.26Å; Y481-L484 HydrophobicContact CD1-CD1 3.98Å; Y481-L484 PolarHBondContact O-N 3.17Å; Y481-V531 HydrophobicContact CD1-CG1 4.04Å; Y481-V531 HydrophobicContact CE1-CG1 3.65Å; Y481-L535 HydrophobicContact CD1-CD1 4.2Å; Y481-L535 HydrophobicContact CE1-CD1 3.79Å; Y481-V570 HydrophobicContact CD1-CG2 4.17Å; Y481-V570 HydrophobicContact CD2-CB 4.19Å; Y481-V570 HydrophobicContact CD2-CG1 3.41Å; Y481-V570 VanDerWaalsContact CD2-CG1 3.41Å; Y481-V570 HydrophobicContact CD2-CG2 3.85Å; Y481-V570 HydrophobicContact CE1-CG2 4.35Å; Y481-V570 HydrophobicContact CE2-CB 4.39Å; Y481-V570 HydrophobicContact CE2-CG1 3.97Å; Y481-V570 HydrophobicContact CE2-CG2 3.99Å; Y481-V570 HydrophobicContact CG-CG1 3.94Å; Y481-V570 HydrophobicContact CG-CG2 3.89Å; Y481-D573 HydrophobicContact CE2-CB 4.28Å; Y481-D573 WeakPolarHBondContact CE2-OD2 3.34Å; Y481-D573 PolarHBondContact OH-OD2 2.87Å; Y481-V575 HydrophobicContact CD2-CB 4.19Å; Y481-V575 HydrophobicContact CD2-CG1 4.24Å; Y481-V575 HydrophobicContact CD2-CG2 4.3Å |
| 482 | C | 88.4 | Confident | 87.3 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -22.6 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 114.4 | R478 I480 | R478-C482 PolarHBondContact O-N 3.25Å; R478-C482 PolarHBondContact O-SG 2.87Å; R478-C482 VanDerWaalsContact O-SG 3.34Å; I480-C482 VanDerWaalsContact C-N 3.3Å; I480-C482 PolarHBondContact O-N 3.12Å |
| 483 | R | 90.7 | Very high | 88.3 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -96.6 | -18.6 | 180 | -57.6 | -171.7 | -163 | 96.3 | 1.9 | 113.6 | A479 I480 Y481 P485 L486 I487 H528 | A479-R483 PolarHBondContact O-NH1 2.84Å; I480-R483 PolarHBondContact O-N 3.5Å; Y481-R483 PolarHBondContact O-N 3.26Å; R483-P485 VanDerWaalsContact C-CD 3.49Å; R483-L486 PolarHBondContact O-N 2.96Å; R483-L486 VanDerWaalsContact O-N 3.13Å; R483-I487 HydrophobicContact CB-CD1 4.17Å; R483-I487 PolarHBondContact O-N 3.27Å; R483-H528 PolarHBondContact NH1-NE2 3.09Å |
| 484 | L | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.9 | -44 | -177.5 | -68.2 | 179.7 | 0 | 0 | 0 | 114.1 | I480 Y481 L486 I487 V488 H528 V531 L532 L535 I566 | I480-L484 HydrophobicContact CG2-CD2 4.12Å; I480-L484 HydrophobicContact CG2-CG 4.31Å; I480-L484 PolarHBondContact O-N 3.25Å; Y481-L484 HydrophobicContact CD1-CD1 3.98Å; Y481-L484 PolarHBondContact O-N 3.17Å; L484-L486 PolarHBondContact O-N 3.49Å; L484-I487 PolarHBondContact O-N 2.69Å; L484-I487 VanDerWaalsContact O-N 3.15Å; L484-V488 WeakPolarHBondContact O-CB 3.44Å; L484-V488 VanDerWaalsContact O-CG2 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.03Å; L484-H528 HydrophobicContact CD2-CB 4.44Å; L484-H528 WeakPolarHBondContact CD2-O 3.39Å; L484-V531 HydrophobicContact CD1-CG1 4.25Å; L484-L532 HydrophobicContact CD2-CB 4.13Å; L484-L535 HydrophobicContact CD1-CD1 3.4Å; L484-L535 VanDerWaalsContact CD1-CD1 3.4Å; L484-I566 HydrophobicContact CB-CG2 4.23Å; L484-I566 HydrophobicContact CD1-CG2 4.06Å |
| 485 | P | 91.1 | Very high | 89.5 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -32.3 | -179.5 | -26.7 | 36.4 | 0 | 0 | 0 | 113.8 | R483 I563 I577 | R483-P485 VanDerWaalsContact C-CD 3.49Å; P485-I563 HydrophobicContact CB-CG2 4.14Å; P485-I577 HydrophobicContact CG-CD1 4.31Å |
| 486 | L | 91.9 | Very high | 89.8 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -77.9 | -44.2 | 176.2 | -176.5 | 60.3 | 0 | 0 | 0 | 111.4 | R483 L484 V488 T489 Q490 P517 | R483-L486 PolarHBondContact O-N 2.96Å; R483-L486 VanDerWaalsContact O-N 3.13Å; L484-L486 PolarHBondContact O-N 3.49Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.18Å; L486-T489 PolarHBondContact O-N 3.5Å; L486-T489 PolarHBondContact O-OG1 3.04Å; L486-Q490 PolarHBondContact O-N 3.3Å; L486-P517 HydrophobicContact CD2-CG 3.69Å |
| 487 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 178.9 | -66.3 | 173.7 | 0 | 0 | 0 | 110.8 | R483 L484 T489 Q490 V491 V512 I525 H528 L529 L532 | R483-I487 HydrophobicContact CB-CD1 4.17Å; R483-I487 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 2.69Å; L484-I487 VanDerWaalsContact O-N 3.15Å; I487-T489 VanDerWaalsContact C-N 3.32Å; I487-T489 PolarHBondContact O-N 2.94Å; I487-Q490 PolarHBondContact O-N 3.06Å; I487-Q490 VanDerWaalsContact O-N 3.12Å; I487-V491 HydrophobicContact CG2-CG2 3.89Å; I487-V491 WeakPolarHBondContact O-CB 3.32Å; I487-V491 VanDerWaalsContact O-CG2 3.26Å; I487-V491 WeakPolarHBondContact O-CG2 3.4Å; I487-V491 PolarHBondContact O-N 3.01Å; I487-V512 HydrophobicContact CG2-CG1 4.34Å; I487-I525 HydrophobicContact CD1-CD1 4.06Å; I487-H528 HydrophobicContact CD1-CB 3.54Å; I487-H528 WeakPolarHBondContact CD1-CD2 3.46Å; I487-L529 HydrophobicContact CG2-CD2 4.21Å; I487-L532 HydrophobicContact CG2-CD2 4.44Å |
| 488 | V | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.7 | -46.4 | 171.7 | 166 | 0 | 0 | 0 | 0 | 111.9 | L484 L486 Q490 W492 L532 W539 V559 V562 I563 I566 | L484-V488 WeakPolarHBondContact O-CB 3.44Å; L484-V488 VanDerWaalsContact O-CG2 3.23Å; L484-V488 WeakPolarHBondContact O-CG2 3.47Å; L484-V488 PolarHBondContact O-N 3.03Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.18Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 3.04Å; V488-W492 VanDerWaalsContact O-CB 3.31Å; V488-W492 WeakPolarHBondContact O-CB 3.26Å; V488-W492 PolarHBondContact O-N 2.93Å; V488-L532 HydrophobicContact CG2-CD1 3.67Å; V488-L532 HydrophobicContact CG2-CD2 4.34Å; V488-W539 HydrophobicContact CB-CH2 4.34Å; V488-W539 HydrophobicContact CB-CZ3 4.37Å; V488-W539 HydrophobicContact CG1-CH2 3.78Å; V488-W539 HydrophobicContact CG1-CZ2 4.5Å; V488-W539 HydrophobicContact CG1-CZ3 4.01Å; V488-W539 HydrophobicContact CG2-CZ3 4.08Å; V488-V559 HydrophobicContact CG1-CG1 3.88Å; V488-V562 HydrophobicContact CG1-CB 4.3Å; V488-V562 HydrophobicContact CG1-CG1 3.67Å; V488-V562 HydrophobicContact CG2-CG1 4.29Å; V488-I563 HydrophobicContact CB-CG1 4.2Å; V488-I563 HydrophobicContact CG1-CD1 4.35Å; V488-I563 HydrophobicContact CG1-CG1 3.73Å; V488-I566 HydrophobicContact CG2-CD1 3.43Å; V488-I566 VanDerWaalsContact CG2-CD1 3.43Å |
| 489 | T | 92.5 | Very high | 89 | Confident | 51 Ų | 51 | 40.6 Ų | 40.6 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.5 | -35 | 179 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | L486 I487 S493 V559 I563 | L486-T489 PolarHBondContact O-N 3.5Å; L486-T489 PolarHBondContact O-OG1 3.04Å; I487-T489 VanDerWaalsContact C-N 3.32Å; I487-T489 PolarHBondContact O-N 2.94Å; T489-S493 WeakPolarHBondContact O-CB 3.43Å; T489-S493 PolarHBondContact O-N 2.97Å; T489-S493 VanDerWaalsContact O-N 3.13Å; T489-V559 HydrophobicContact CG2-CG1 4.04Å; T489-I563 HydrophobicContact CG2-CD1 4.1Å |
| 490 | Q | 91.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.1 | -48.1 | 179.8 | -67.8 | 163.9 | -37 | 0 | 0 | 110.9 | L486 I487 V488 W492 S493 I494 V512 S515 H516 | L486-Q490 PolarHBondContact O-N 3.3Å; I487-Q490 PolarHBondContact O-N 3.06Å; I487-Q490 VanDerWaalsContact O-N 3.12Å; V488-Q490 VanDerWaalsContact C-N 3.34Å; V488-Q490 PolarHBondContact O-N 3.04Å; Q490-W492 PolarHBondContact O-N 3.17Å; Q490-S493 WeakPolarHBondContact O-CB 3.3Å; Q490-S493 PolarHBondContact O-N 3.42Å; Q490-I494 WeakPolarHBondContact O-CD1 3.38Å; Q490-I494 WeakPolarHBondContact O-CG1 3.45Å; Q490-I494 PolarHBondContact O-N 3.36Å; Q490-V512 HydrophobicContact CB-CG1 4.32Å; Q490-V512 HydrophobicContact CB-CG2 4.29Å; Q490-S515 WeakPolarHBondContact CG-OG 3.32Å; Q490-S515 PolarHBondContact NE2-O 3Å; Q490-S515 PolarHBondContact NE2-OG 3.16Å; Q490-H516 PolarHBondContact NE2-ND1 3.12Å; Q490-H516 PolarHBondContact OE1-ND1 3.43Å |
| 491 | V | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | I487 I494 L495 V508 V512 L529 W539 I540 L550 | I487-V491 HydrophobicContact CG2-CG2 3.89Å; I487-V491 WeakPolarHBondContact O-CB 3.32Å; I487-V491 VanDerWaalsContact O-CG2 3.26Å; I487-V491 WeakPolarHBondContact O-CG2 3.4Å; I487-V491 PolarHBondContact O-N 3.01Å; V491-I494 PolarHBondContact O-N 2.55Å; V491-L495 HydrophobicContact CG1-CD1 3.66Å; V491-L495 HydrophobicContact CG1-CG 4.22Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 WeakPolarHBondContact O-CG 3.42Å; V491-L495 PolarHBondContact O-N 3.42Å; V491-V508 HydrophobicContact CG2-CG1 4.45Å; V491-V512 HydrophobicContact CG2-CG2 3.77Å; V491-L529 HydrophobicContact CG2-CD2 3.44Å; V491-L529 VanDerWaalsContact CG2-CD2 3.44Å; V491-W539 HydrophobicContact CG1-CH2 4.42Å; V491-I540 HydrophobicContact CG1-CD1 3.6Å; V491-L550 HydrophobicContact CG1-CD2 4.36Å |
| 492 | W | 90.7 | Very high | 87.9 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 30% | 0.295 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.7 | -176.7 | 85.2 | 0 | 0 | 0 | 112 | V488 Q490 I494 L495 R496 W539 V559 | V488-W492 VanDerWaalsContact O-CB 3.31Å; V488-W492 WeakPolarHBondContact O-CB 3.26Å; V488-W492 PolarHBondContact O-N 2.93Å; Q490-W492 PolarHBondContact O-N 3.17Å; W492-I494 VanDerWaalsContact C-N 3.35Å; W492-I494 PolarHBondContact O-N 2.98Å; W492-L495 PolarHBondContact O-N 3.48Å; W492-R496 VanDerWaalsContact CZ2-CD 3.42Å; W492-R496 VanDerWaalsContact O-CB 3.23Å; W492-R496 WeakPolarHBondContact O-CB 3.45Å; W492-R496 PolarHBondContact O-N 2.95Å; W492-W539 HydrophobicContact CB-CH2 4.31Å; W492-W539 HydrophobicContact CB-CZ2 3.92Å; W492-W539 HydrophobicContact CG-CZ2 4.39Å; W492-V559 HydrophobicContact CB-CG2 4.24Å; W492-V559 HydrophobicContact CD2-CG2 3.35Å; W492-V559 VanDerWaalsContact CE2-CG2 3.44Å; W492-V559 HydrophobicContact CE3-CG2 3.85Å; W492-V559 HydrophobicContact CG-CG2 3.54Å; W492-V559 HydrophobicContact CH2-CG2 4.41Å; W492-V559 HydrophobicContact CZ2-CG2 3.99Å; W492-V559 HydrophobicContact CZ3-CG2 4.35Å |
| 493 | S | 90.2 | Very high | 88 | Confident | 72 Ų | 72 | 46 Ų | 46 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | T489 Q490 S497 | T489-S493 WeakPolarHBondContact O-CB 3.43Å; T489-S493 PolarHBondContact O-N 2.97Å; T489-S493 VanDerWaalsContact O-N 3.13Å; Q490-S493 WeakPolarHBondContact O-CB 3.3Å; Q490-S493 PolarHBondContact O-N 3.42Å; S493-S497 PolarHBondContact O-N 2.99Å; S493-S497 VanDerWaalsContact O-N 3.15Å |
| 494 | I | 90.1 | Very high | 88 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.7 | -46.1 | -179.4 | -67.5 | 158.6 | 0 | 0 | 0 | 111.7 | Q490 V491 W492 S497 L503 R511 V512 | Q490-I494 WeakPolarHBondContact O-CD1 3.38Å; Q490-I494 WeakPolarHBondContact O-CG1 3.45Å; Q490-I494 PolarHBondContact O-N 3.36Å; V491-I494 PolarHBondContact O-N 2.55Å; W492-I494 VanDerWaalsContact C-N 3.35Å; W492-I494 PolarHBondContact O-N 2.98Å; I494-S497 PolarHBondContact O-N 3.21Å; I494-S497 PolarHBondContact O-OG 3.08Å; I494-L503 HydrophobicContact CG2-CD1 3.91Å; I494-R511 HydrophobicContact CD1-CB 3.62Å; I494-R511 HydrophobicContact CG1-CB 4.2Å; I494-V512 HydrophobicContact CD1-CB 4.36Å; I494-V512 HydrophobicContact CD1-CG2 3.51Å |
| 495 | L | 88.5 | Confident | 88 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.4 | -26.7 | -179.3 | -68.1 | 178.1 | 0 | 0 | 0 | 113.7 | V491 W492 S497 S498 L503 V508 L550 L552 | V491-L495 HydrophobicContact CG1-CD1 3.66Å; V491-L495 HydrophobicContact CG1-CG 4.22Å; V491-L495 WeakPolarHBondContact O-CB 3.46Å; V491-L495 WeakPolarHBondContact O-CG 3.42Å; V491-L495 PolarHBondContact O-N 3.42Å; W492-L495 PolarHBondContact O-N 3.48Å; L495-S497 VanDerWaalsContact C-N 3.35Å; L495-S498 PolarHBondContact O-N 3.27Å; L495-S498 PolarHBondContact O-OG 2.98Å; L495-L503 HydrophobicContact CD2-CB 4.34Å; L495-L503 HydrophobicContact CD2-CD1 4.21Å; L495-L503 HydrophobicContact CD2-CG 4.31Å; L495-V508 HydrophobicContact CD2-CG2 4.18Å; L495-L550 HydrophobicContact CD1-CD2 4.17Å; L495-L550 HydrophobicContact CD1-CG 4.4Å; L495-L552 HydrophobicContact CD1-CB 4.5Å; L495-L552 HydrophobicContact CD1-CD1 3.97Å |
| 496 | R | 85.8 | Confident | 88.1 | Confident | 95 Ų | 95 | 46.6 Ų | 46.6 | 36% | 0.358 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.7 | -34.6 | 170.1 | -161.5 | 169.5 | -170.3 | 91.7 | -1.8 | 110.7 | W492 S498 N499 P555 E556 | W492-R496 VanDerWaalsContact CZ2-CD 3.42Å; W492-R496 VanDerWaalsContact O-CB 3.23Å; W492-R496 WeakPolarHBondContact O-CB 3.45Å; W492-R496 PolarHBondContact O-N 2.95Å; R496-S498 PolarHBondContact O-N 3.43Å; R496-N499 PolarHBondContact O-N 3.43Å; R496-P555 PolarHBondContact NH1-O 3.46Å; R496-E556 IonicContact CZ-OE2 2.7Å; R496-E556 IonicContact NH1-OE1 2.98Å; R496-E556 IonicContact NH1-OE2 3.47Å; R496-E556 IonicContact NH2-OE1 2.67Å; R496-E556 IonicContact NH2-OE2 2.78Å; R496-E556 PolarHBondContact NH2-OE2 2.85Å |
| 497 | S | 83.5 | Confident | 88.1 | Confident | 77 Ų | 77 | 46 Ų | 46 | 54% | 0.538 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.8 | -20.9 | 174.4 | 83 | 0 | 0 | 0 | 0 | 114.5 | S493 I494 L495 | S493-S497 PolarHBondContact O-N 2.99Å; S493-S497 VanDerWaalsContact O-N 3.15Å; I494-S497 PolarHBondContact O-N 3.21Å; I494-S497 PolarHBondContact O-OG 3.08Å; L495-S497 VanDerWaalsContact C-N 3.35Å |
| 498 | S | 79 | Confident | 88.1 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.8 | 175 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | L495 R496 R501 | L495-S498 PolarHBondContact O-N 3.27Å; L495-S498 PolarHBondContact O-OG 2.98Å; R496-S498 PolarHBondContact O-N 3.43Å; S498-R501 WeakPolarHBondContact O-CB 3.48Å; S498-R501 PolarHBondContact O-N 2.93Å; S498-R501 PolarHBondContact O-NE 3.43Å; S498-R501 PolarHBondContact O-NH2 2.7Å; S498-R501 PolarHBondContact OG-O 3.47Å |
| 499 | N | 76.9 | Confident | 88.2 | Confident | 127 Ų | 127 | 46.2 Ų | 46.2 | 68% | 0.679 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 53.4 | -170.6 | -68.5 | -1 | 0 | 0 | 0 | 112.3 | R496 R501 | R496-N499 PolarHBondContact O-N 3.43Å; N499-R501 PolarHBondContact O-N 3.28Å |
| 500 | A | 73.1 | Confident | 88.2 | Confident | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 9.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R551 P555 | A500-R551 PolarHBondContact O-NE 2.94Å; A500-P555 HydrophobicContact CB-CB 4.35Å |
| 501 | R | 84.1 | Confident | 88.3 | Confident | 161 Ų | 161 | 51.8 Ų | 51.8 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | trans | -69.4 | 134.3 | 167.7 | -70.2 | 175.5 | -70.6 | -153.4 | -2.2 | 109.3 | S498 N499 L503 | S498-R501 WeakPolarHBondContact O-CB 3.48Å; S498-R501 PolarHBondContact O-N 2.93Å; S498-R501 PolarHBondContact O-NE 3.43Å; S498-R501 PolarHBondContact O-NH2 2.7Å; S498-R501 PolarHBondContact OG-O 3.47Å; N499-R501 PolarHBondContact O-N 3.28Å; R501-L503 PolarHBondContact O-N 2.95Å | ||
| 502 | P | 87.9 | Confident | 88.4 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | trans | -56.1 | 135.9 | 175.7 | -23.6 | 33.2 | 0 | 0 | 0 | 111.8 | L543 W545 H549 L550 R551 | P502-L543 HydrophobicContact CB-CD1 4.03Å; P502-L543 HydrophobicContact CG-CD1 3.66Å; P502-W545 HydrophobicContact CB-CH2 4.05Å; P502-W545 HydrophobicContact CB-CZ3 4.08Å; P502-W545 HydrophobicContact CG-CH2 3.72Å; P502-W545 HydrophobicContact CG-CZ2 4.38Å; P502-W545 HydrophobicContact CG-CZ3 4.25Å; P502-H549 HydrophobicContact CB-CB 3.84Å; P502-L550 WeakPolarHBondContact CA-O 3.42Å; P502-R551 HydrophobicContact CB-CB 4.31Å; P502-R551 HydrophobicContact CG-CB 4.08Å; P502-R551 HydrophobicContact CG-CG 3.86Å | ||
| 503 | L | 90.7 | Very high | 88.5 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.2 | 171.9 | -67.6 | -176.7 | 0 | 0 | 0 | 109.8 | I494 L495 R501 L505 V508 H549 L550 | I494-L503 HydrophobicContact CG2-CD1 3.91Å; L495-L503 HydrophobicContact CD2-CB 4.34Å; L495-L503 HydrophobicContact CD2-CD1 4.21Å; L495-L503 HydrophobicContact CD2-CG 4.31Å; R501-L503 PolarHBondContact O-N 2.95Å; L503-L505 PolarHBondContact O-N 3.18Å; L503-V508 HydrophobicContact CB-CG2 3.77Å; L503-V508 HydrophobicContact CD1-CG2 4.3Å; L503-H549 VanDerWaalsContact C-CD2 3.49Å; L503-H549 CarbonylContact O-C 3.47Å; L503-H549 VanDerWaalsContact O-CA 3.25Å; L503-H549 WeakPolarHBondContact O-CA 3.4Å; L503-L550 PolarHBondContact N-O 3.43Å; L503-L550 PolarHBondContact O-N 3.34Å |
| 504 | P | 91.9 | Very high | 88.5 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 138 | 172.7 | -21.4 | 30.7 | 0 | 0 | 0 | 110.9 | S506 T507 V508 T547 | P504-S506 PolarHBondContact O-N 3.37Å; P504-T507 WeakPolarHBondContact O-CA 3.15Å; P504-T507 WeakPolarHBondContact O-CB 3.26Å; P504-T507 PolarHBondContact O-N 3.24Å; P504-V508 PolarHBondContact O-N 3.15Å; P504-T547 HydrophobicContact CB-CG2 4.26Å |
| 505 | L | 91.7 | Very high | 88.5 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -38.7 | -178.9 | -179.7 | 61.1 | 0 | 0 | 0 | 111.3 | L503 T507 V508 S509 L529 I548 L550 | L503-L505 PolarHBondContact O-N 3.18Å; L505-T507 PolarHBondContact O-N 3.12Å; L505-V508 PolarHBondContact O-N 2.75Å; L505-S509 WeakPolarHBondContact O-CB 3.42Å; L505-S509 PolarHBondContact O-N 3.36Å; L505-S509 PolarHBondContact O-OG 2.67Å; L505-L529 HydrophobicContact CD1-CB 4.34Å; L505-L529 HydrophobicContact CD1-CD1 3.55Å; L505-I548 HydrophobicContact CB-CB 4.31Å; L505-I548 HydrophobicContact CB-CG2 4.09Å; L505-I548 WeakPolarHBondContact CB-O 3.39Å; L505-I548 HydrophobicContact CD2-CB 4.46Å; L505-I548 HydrophobicContact CD2-CG2 3.93Å; L505-I548 PolarHBondContact N-O 3.02Å; L505-L550 HydrophobicContact CD1-CD1 4.33Å; L505-L550 HydrophobicContact CD1-CD2 4.43Å |
| 506 | S | 92.4 | Very high | 88.4 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | P504 V508 S509 V510 | P504-S506 PolarHBondContact O-N 3.37Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.77Å; S506-S509 PolarHBondContact O-N 3.15Å; S506-V510 WeakPolarHBondContact O-CB 3.35Å; S506-V510 WeakPolarHBondContact O-CG2 3.2Å; S506-V510 PolarHBondContact O-N 3.36Å |
| 507 | T | 92.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | P504 L505 R511 | P504-T507 WeakPolarHBondContact O-CA 3.15Å; P504-T507 WeakPolarHBondContact O-CB 3.26Å; P504-T507 PolarHBondContact O-N 3.24Å; L505-T507 PolarHBondContact O-N 3.12Å; T507-R511 WeakPolarHBondContact O-CB 3.43Å; T507-R511 VanDerWaalsContact O-CG 3.26Å; T507-R511 WeakPolarHBondContact O-CG 3.4Å; T507-R511 PolarHBondContact O-N 2.98Å |
| 508 | V | 93.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.4 | -49.3 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | V491 L495 L503 P504 L505 S506 V510 R511 V512 L529 L550 | V491-V508 HydrophobicContact CG2-CG1 4.45Å; L495-V508 HydrophobicContact CD2-CG2 4.18Å; L503-V508 HydrophobicContact CB-CG2 3.77Å; L503-V508 HydrophobicContact CD1-CG2 4.3Å; P504-V508 PolarHBondContact O-N 3.15Å; L505-V508 PolarHBondContact O-N 2.75Å; S506-V508 VanDerWaalsContact C-N 3.33Å; S506-V508 PolarHBondContact O-N 2.77Å; V508-V510 PolarHBondContact O-N 3.16Å; V508-R511 PolarHBondContact O-N 3.32Å; V508-V512 HydrophobicContact CG1-CG2 3.98Å; V508-V512 WeakPolarHBondContact O-CB 3.45Å; V508-V512 VanDerWaalsContact O-CG2 3.27Å; V508-V512 WeakPolarHBondContact O-CG2 3.38Å; V508-V512 PolarHBondContact O-N 3.15Å; V508-L529 HydrophobicContact CG1-CD1 4.16Å; V508-L550 HydrophobicContact CB-CD2 4.37Å; V508-L550 HydrophobicContact CG1-CD2 3.96Å; V508-L550 HydrophobicContact CG2-CB 4.31Å; V508-L550 HydrophobicContact CG2-CD2 4.31Å |
| 509 | S | 93.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.028 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | -179.8 | -76.6 | 0 | 0 | 0 | 0 | 113.1 | L505 S506 A513 A522 | L505-S509 WeakPolarHBondContact O-CB 3.42Å; L505-S509 PolarHBondContact O-N 3.36Å; L505-S509 PolarHBondContact O-OG 2.67Å; S506-S509 PolarHBondContact O-N 3.15Å; S509-A513 VanDerWaalsContact O-CB 3.25Å; S509-A513 WeakPolarHBondContact O-CB 3.2Å; S509-A513 PolarHBondContact O-N 3.47Å; S509-A522 WeakPolarHBondContact CB-O 3.21Å; S509-A522 PolarHBondContact OG-O 3.38Å |
| 510 | V | 93.9 | Very high | 89 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -52.3 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | S506 V508 V512 A513 D514 A522 | S506-V510 WeakPolarHBondContact O-CB 3.35Å; S506-V510 WeakPolarHBondContact O-CG2 3.2Å; S506-V510 PolarHBondContact O-N 3.36Å; V508-V510 PolarHBondContact O-N 3.16Å; V510-V512 VanDerWaalsContact C-N 3.28Å; V510-V512 PolarHBondContact O-N 2.91Å; V510-A513 WeakPolarHBondContact O-CB 3.44Å; V510-A513 PolarHBondContact O-N 2.9Å; V510-A513 VanDerWaalsContact O-N 3.09Å; V510-D514 PolarHBondContact O-N 3.43Å; V510-A522 HydrophobicContact CG2-CB 3.96Å |
| 511 | R | 93 | Very high | 89.9 | Confident | 118 Ų | 118 | 54.6 Ų | 54.6 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 179.7 | -70.9 | 177.5 | -177.8 | -162.9 | 2.4 | 113.2 | I494 T507 V508 S515 | I494-R511 HydrophobicContact CD1-CB 3.62Å; I494-R511 HydrophobicContact CG1-CB 4.2Å; T507-R511 WeakPolarHBondContact O-CB 3.43Å; T507-R511 VanDerWaalsContact O-CG 3.26Å; T507-R511 WeakPolarHBondContact O-CG 3.4Å; T507-R511 PolarHBondContact O-N 2.98Å; V508-R511 PolarHBondContact O-N 3.32Å; R511-S515 WeakPolarHBondContact O-CB 3.31Å; R511-S515 PolarHBondContact O-N 3.45Å; R511-S515 PolarHBondContact O-OG 3.26Å |
| 512 | V | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -48 | 173.5 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | I487 Q490 V491 I494 V508 V510 D514 S515 H516 I525 | I487-V512 HydrophobicContact CG2-CG1 4.34Å; Q490-V512 HydrophobicContact CB-CG1 4.32Å; Q490-V512 HydrophobicContact CB-CG2 4.29Å; V491-V512 HydrophobicContact CG2-CG2 3.77Å; I494-V512 HydrophobicContact CD1-CB 4.36Å; I494-V512 HydrophobicContact CD1-CG2 3.51Å; V508-V512 HydrophobicContact CG1-CG2 3.98Å; V508-V512 WeakPolarHBondContact O-CB 3.45Å; V508-V512 VanDerWaalsContact O-CG2 3.27Å; V508-V512 WeakPolarHBondContact O-CG2 3.38Å; V508-V512 PolarHBondContact O-N 3.15Å; V510-V512 VanDerWaalsContact C-N 3.28Å; V510-V512 PolarHBondContact O-N 2.91Å; V512-D514 PolarHBondContact O-N 3.29Å; V512-S515 CarbonylContact O-C 3.47Å; V512-S515 WeakPolarHBondContact O-CA 3.29Å; V512-S515 PolarHBondContact O-N 3.33Å; V512-S515 PolarHBondContact O-OG 2.87Å; V512-H516 WeakPolarHBondContact O-CB 3.5Å; V512-H516 PolarHBondContact O-N 3.45Å; V512-I525 HydrophobicContact CB-CG2 3.88Å; V512-I525 HydrophobicContact CG1-CD1 3.81Å; V512-I525 HydrophobicContact CG1-CG1 4.15Å; V512-I525 HydrophobicContact CG1-CG2 3.65Å |
| 513 | A | 93 | Very high | 90.5 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.7 | -50.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S509 V510 S515 H516 L520 I525 | S509-A513 VanDerWaalsContact O-CB 3.25Å; S509-A513 WeakPolarHBondContact O-CB 3.2Å; S509-A513 PolarHBondContact O-N 3.47Å; V510-A513 WeakPolarHBondContact O-CB 3.44Å; V510-A513 PolarHBondContact O-N 2.9Å; V510-A513 VanDerWaalsContact O-N 3.09Å; A513-S515 PolarHBondContact O-N 3.04Å; A513-H516 PolarHBondContact O-N 2.9Å; A513-L520 VanDerWaalsContact CB-O 3.26Å; A513-L520 WeakPolarHBondContact CB-O 3.36Å; A513-I525 HydrophobicContact CB-CG1 4.09Å |
| 514 | D | 90.7 | Very high | 90.6 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56 | -32.9 | 175.3 | -62.7 | -30.4 | 0 | 0 | 0 | 112.4 | V510 V512 | V510-D514 PolarHBondContact O-N 3.43Å; V512-D514 PolarHBondContact O-N 3.29Å |
| 515 | S | 89.7 | Confident | 90.7 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5.9 | 178.4 | 81.2 | 0 | 0 | 0 | 0 | 114.4 | Q490 R511 V512 A513 | Q490-S515 WeakPolarHBondContact CG-OG 3.32Å; Q490-S515 PolarHBondContact NE2-O 3Å; Q490-S515 PolarHBondContact NE2-OG 3.16Å; R511-S515 WeakPolarHBondContact O-CB 3.31Å; R511-S515 PolarHBondContact O-N 3.45Å; R511-S515 PolarHBondContact O-OG 3.26Å; V512-S515 CarbonylContact O-C 3.47Å; V512-S515 WeakPolarHBondContact O-CA 3.29Å; V512-S515 PolarHBondContact O-N 3.33Å; V512-S515 PolarHBondContact O-OG 2.87Å; A513-S515 PolarHBondContact O-N 3.04Å |
| 516 | H | 87.2 | Confident | 90.7 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.046 | 33% | 0.327 | C | S | . | . | trans | -94.2 | 119.1 | -166.9 | -156 | 86.4 | 0 | 0 | 0 | 112.7 | Q490 V512 A513 S518 G519 | Q490-H516 PolarHBondContact NE2-ND1 3.12Å; Q490-H516 PolarHBondContact OE1-ND1 3.43Å; V512-H516 WeakPolarHBondContact O-CB 3.5Å; V512-H516 PolarHBondContact O-N 3.45Å; A513-H516 PolarHBondContact O-N 2.9Å; H516-S518 PolarHBondContact O-N 3.02Å; H516-G519 PolarHBondContact O-N 3.48Å | ||
| 517 | P | 83.6 | Confident | 90.7 | Very high | 105 Ų | 105 | 54 Ų | 54 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.2 | -170.1 | 29.1 | -36.9 | 0 | 0 | 0 | 114.2 | L486 | L486-P517 HydrophobicContact CD2-CG 3.69Š|
| 518 | S | 80.4 | Confident | 90.8 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 56% | 0.559 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.9 | 175.7 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | H516 L520 | H516-S518 PolarHBondContact O-N 3.02Å; S518-L520 PolarHBondContact O-N 3.36Å |
| 519 | G | 84.2 | Confident | 90.8 | Very high | 67 Ų | 67 | 52 Ų | 52 | 69% | 0.691 | 32% | 0.317 | S | S | * | . | trans | 62.7 | 38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | H516 | H516-G519 PolarHBondContact O-N 3.48Š| ||
| 520 | L | 88.4 | Confident | 90.7 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | trans | -69 | 142 | 177.8 | -64.3 | 177.1 | 0 | 0 | 0 | 110.9 | A513 S518 I525 | A513-L520 VanDerWaalsContact CB-O 3.26Å; A513-L520 WeakPolarHBondContact CB-O 3.36Å; S518-L520 PolarHBondContact O-N 3.36Å; L520-I525 HydrophobicContact CB-CD1 3.82Å; L520-I525 HydrophobicContact CB-CG1 4.02Å; L520-I525 HydrophobicContact CD1-CD1 3.63Å; L520-I525 HydrophobicContact CG-CD1 4.37Å | ||
| 521 | S | 92.3 | Very high | 90.6 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | trans | -67.9 | 156.8 | 172.8 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | D523 A524 I525 | S521-D523 PolarHBondContact O-N 3.34Å; S521-A524 PolarHBondContact O-N 2.95Å; S521-A524 WeakPolarHBondContact OG-CB 3.49Å; S521-A524 PolarHBondContact OG-N 3.47Å; S521-I525 WeakPolarHBondContact O-CG1 3.26Å; S521-I525 PolarHBondContact O-N 3.46Å | ||
| 522 | A | 91.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -33.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S509 V510 I525 S526 | S509-A522 WeakPolarHBondContact CB-O 3.21Å; S509-A522 PolarHBondContact OG-O 3.38Å; V510-A522 HydrophobicContact CG2-CB 3.96Å; A522-I525 PolarHBondContact O-N 2.84Å; A522-S526 PolarHBondContact O-N 3.16Å |
| 523 | D | 92.5 | Very high | 90.5 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.4 | -47.4 | 176.1 | -55.2 | -36.2 | 0 | 0 | 0 | 111.2 | S521 I525 S526 E527 | S521-D523 PolarHBondContact O-N 3.34Å; D523-I525 VanDerWaalsContact C-N 3.29Å; D523-I525 PolarHBondContact O-N 3.38Å; D523-S526 WeakPolarHBondContact O-CA 3.42Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 2.88Å; D523-S526 PolarHBondContact O-OG 2.85Å; D523-E527 PolarHBondContact O-N 2.86Å |
| 524 | A | 92.3 | Very high | 90.4 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S521 S526 E527 H528 | S521-A524 PolarHBondContact O-N 2.95Å; S521-A524 WeakPolarHBondContact OG-CB 3.49Å; S521-A524 PolarHBondContact OG-N 3.47Å; A524-S526 VanDerWaalsContact C-N 3.3Å; A524-S526 PolarHBondContact O-N 3.48Å; A524-E527 PolarHBondContact O-N 2.66Å; A524-H528 PolarHBondContact O-N 3.17Å; A524-H528 PolarHBondContact O-ND1 3.33Å |
| 525 | I | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 171.9 | -69 | -58.6 | 0 | 0 | 0 | 111.3 | I487 V512 A513 L520 S521 A522 D523 E527 H528 L529 | I487-I525 HydrophobicContact CD1-CD1 4.06Å; V512-I525 HydrophobicContact CB-CG2 3.88Å; V512-I525 HydrophobicContact CG1-CD1 3.81Å; V512-I525 HydrophobicContact CG1-CG1 4.15Å; V512-I525 HydrophobicContact CG1-CG2 3.65Å; A513-I525 HydrophobicContact CB-CG1 4.09Å; L520-I525 HydrophobicContact CB-CD1 3.82Å; L520-I525 HydrophobicContact CB-CG1 4.02Å; L520-I525 HydrophobicContact CD1-CD1 3.63Å; L520-I525 HydrophobicContact CG-CD1 4.37Å; S521-I525 WeakPolarHBondContact O-CG1 3.26Å; S521-I525 PolarHBondContact O-N 3.46Å; A522-I525 PolarHBondContact O-N 2.84Å; D523-I525 VanDerWaalsContact C-N 3.29Å; D523-I525 PolarHBondContact O-N 3.38Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.93Å; I525-H528 CarbonylContact O-C 3.58Å; I525-H528 PolarHBondContact O-N 3.06Å; I525-H528 VanDerWaalsContact O-N 3.1Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.11Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.24Å |
| 526 | S | 92.5 | Very high | 90.3 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 178.2 | 81.3 | 0 | 0 | 0 | 0 | 112.8 | A522 D523 A524 L529 D530 | A522-S526 PolarHBondContact O-N 3.16Å; D523-S526 WeakPolarHBondContact O-CA 3.42Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 2.88Å; D523-S526 PolarHBondContact O-OG 2.85Å; A524-S526 VanDerWaalsContact C-N 3.3Å; A524-S526 PolarHBondContact O-N 3.48Å; S526-L529 PolarHBondContact O-N 2.71Å; S526-D530 PolarHBondContact O-N 2.9Å |
| 527 | E | 92.6 | Very high | 90.3 | Very high | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 172.1 | -60.4 | -175.7 | 157.6 | 0 | 0 | 111.9 | D523 A524 I525 L529 D530 V531 | D523-E527 PolarHBondContact O-N 2.86Å; A524-E527 PolarHBondContact O-N 2.66Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.93Å; E527-L529 VanDerWaalsContact C-N 3.28Å; E527-L529 PolarHBondContact O-N 2.69Å; E527-D530 PolarHBondContact O-N 3.08Å; E527-V531 WeakPolarHBondContact O-CG2 3.41Å; E527-V531 PolarHBondContact O-N 3.38Å |
| 528 | H | 93.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -32.8 | 176 | -67 | 68.1 | 0 | 0 | 0 | 111.4 | I480 R483 L484 I487 A524 I525 L532 | I480-H528 HydrophobicContact CG2-CB 4.31Å; R483-H528 PolarHBondContact NH1-NE2 3.09Å; L484-H528 HydrophobicContact CD2-CB 4.44Å; L484-H528 WeakPolarHBondContact CD2-O 3.39Å; I487-H528 HydrophobicContact CD1-CB 3.54Å; I487-H528 WeakPolarHBondContact CD1-CD2 3.46Å; A524-H528 PolarHBondContact O-N 3.17Å; A524-H528 PolarHBondContact O-ND1 3.33Å; I525-H528 CarbonylContact O-C 3.58Å; I525-H528 PolarHBondContact O-N 3.06Å; I525-H528 VanDerWaalsContact O-N 3.1Å; H528-L532 WeakPolarHBondContact O-CB 3.38Å; H528-L532 PolarHBondContact O-N 3.3Å |
| 529 | L | 93.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.6 | -39.2 | 174.9 | -68 | 177.4 | 0 | 0 | 0 | 112.3 | I487 V491 L505 V508 I525 S526 E527 L532 I533 L550 | I487-L529 HydrophobicContact CG2-CD2 4.21Å; V491-L529 HydrophobicContact CG2-CD2 3.44Å; V491-L529 VanDerWaalsContact CG2-CD2 3.44Å; L505-L529 HydrophobicContact CD1-CB 4.34Å; L505-L529 HydrophobicContact CD1-CD1 3.55Å; V508-L529 HydrophobicContact CG1-CD1 4.16Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.11Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.24Å; S526-L529 PolarHBondContact O-N 2.71Å; E527-L529 VanDerWaalsContact C-N 3.28Å; E527-L529 PolarHBondContact O-N 2.69Å; L529-L532 HydrophobicContact CD2-CD2 4.17Å; L529-L532 WeakPolarHBondContact O-CB 3.33Å; L529-L532 PolarHBondContact O-N 3.27Å; L529-I533 WeakPolarHBondContact O-CD1 3.38Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.09Å; L529-I533 PolarHBondContact O-N 2.87Å; L529-L550 HydrophobicContact CD1-CD2 4.45Å; L529-L550 HydrophobicContact CD2-CD2 4.45Å |
| 530 | D | 92.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.1 | -39.9 | 176.8 | -84.2 | -5.5 | 0 | 0 | 0 | 112.2 | S526 E527 L532 I533 E534 K542 | S526-D530 PolarHBondContact O-N 2.9Å; E527-D530 PolarHBondContact O-N 3.08Å; D530-L532 VanDerWaalsContact C-N 3.29Å; D530-L532 PolarHBondContact O-N 2.91Å; D530-I533 PolarHBondContact O-N 2.83Å; D530-E534 PolarHBondContact O-N 3.22Å; D530-K542 WeakPolarHBondContact OD1-CE 3.49Å; D530-K542 IonicContact OD1-NZ 2.69Å; D530-K542 PolarHBondContact OD1-NZ 3.08Å; D530-K542 IonicContact OD2-NZ 3.9Å; D530-K542 PolarHBondContact OD2-NZ 3.48Å |
| 531 | V | 92.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -34.4 | 170.1 | 175 | 0 | 0 | 0 | 0 | 111.5 | I480 Y481 L484 E527 E534 L535 | I480-V531 HydrophobicContact CD1-CG2 4.32Å; I480-V531 HydrophobicContact CG2-CB 4Å; I480-V531 HydrophobicContact CG2-CG1 3.92Å; I480-V531 HydrophobicContact CG2-CG2 4.23Å; Y481-V531 HydrophobicContact CD1-CG1 4.04Å; Y481-V531 HydrophobicContact CE1-CG1 3.65Å; L484-V531 HydrophobicContact CD1-CG1 4.25Å; E527-V531 WeakPolarHBondContact O-CG2 3.41Å; E527-V531 PolarHBondContact O-N 3.38Å; V531-E534 PolarHBondContact O-N 3.44Å; V531-L535 HydrophobicContact CG1-CD1 3.97Å; V531-L535 WeakPolarHBondContact O-CB 3.32Å; V531-L535 WeakPolarHBondContact O-CG 3.34Å; V531-L535 PolarHBondContact O-N 3.18Å |
| 532 | L | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -36 | 174.4 | 177.9 | 59.9 | 0 | 0 | 0 | 112.5 | L484 I487 V488 H528 L529 D530 A536 W539 I540 I566 | L484-L532 HydrophobicContact CD2-CB 4.13Å; I487-L532 HydrophobicContact CG2-CD2 4.44Å; V488-L532 HydrophobicContact CG2-CD1 3.67Å; V488-L532 HydrophobicContact CG2-CD2 4.34Å; H528-L532 WeakPolarHBondContact O-CB 3.38Å; H528-L532 PolarHBondContact O-N 3.3Å; L529-L532 HydrophobicContact CD2-CD2 4.17Å; L529-L532 WeakPolarHBondContact O-CB 3.33Å; L529-L532 PolarHBondContact O-N 3.27Å; D530-L532 VanDerWaalsContact C-N 3.29Å; D530-L532 PolarHBondContact O-N 2.91Å; L532-A536 HydrophobicContact CD1-CB 4.42Å; L532-A536 WeakPolarHBondContact O-CA 3.45Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.19Å; L532-W539 HydrophobicContact CD1-CZ3 4.26Å; L532-W539 HydrophobicContact CD2-CZ3 4.17Å; L532-W539 HydrophobicContact CG-CZ3 4.49Å; L532-I540 HydrophobicContact CD2-CD1 3.99Å; L532-I540 HydrophobicContact CG-CD1 4.33Å; L532-I566 HydrophobicContact CD1-CD1 3.42Å; L532-I566 VanDerWaalsContact CD1-CD1 3.42Å; L532-I566 HydrophobicContact CD1-CG1 4.44Å |
| 533 | I | 92 | Very high | 91 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 173 | -68.9 | 153 | 0 | 0 | 0 | 110.7 | L529 D530 L535 A536 P537 I540 K542 L550 | L529-I533 WeakPolarHBondContact O-CD1 3.38Å; L529-I533 VanDerWaalsContact O-CG1 3.3Å; L529-I533 WeakPolarHBondContact O-CG1 3.09Å; L529-I533 PolarHBondContact O-N 2.87Å; D530-I533 PolarHBondContact O-N 2.83Å; I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 PolarHBondContact O-N 3.15Å; I533-A536 PolarHBondContact O-N 2.96Å; I533-P537 WeakPolarHBondContact O-CA 3.47Å; I533-P537 WeakPolarHBondContact O-CB 3.34Å; I533-P537 VanDerWaalsContact O-CD 3.27Å; I533-P537 WeakPolarHBondContact O-CD 3.32Å; I533-P537 VanDerWaalsContact O-N 3.16Å; I533-I540 HydrophobicContact CG1-CG2 3.81Å; I533-K542 HydrophobicContact CD1-CB 3.89Å; I533-K542 HydrophobicContact CD1-CD 4Å; I533-K542 HydrophobicContact CD1-CG 4.28Å; I533-L550 HydrophobicContact CD1-CD1 3.85Å; I533-L550 HydrophobicContact CG1-CD1 4.36Å |
| 534 | E | 90.9 | Very high | 90.7 | Very high | 112 Ų | 112 | 39.3 Ų | 39.3 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.7 | -162.9 | -164.4 | 136.2 | 0 | 0 | 111.6 | R477 D530 V531 | R477-E534 IonicContact CZ-OE1 3.96Å; R477-E534 IonicContact CZ-OE2 3.97Å; R477-E534 IonicContact NH1-OE1 2.83Å; R477-E534 PolarHBondContact NH1-OE1 2.93Å; R477-E534 IonicContact NH1-OE2 2.73Å; R477-E534 PolarHBondContact NH1-OE2 3.06Å; R477-E534 VanDerWaalsContact NH2-CD 3.27Å; R477-E534 IonicContact NH2-OE1 3.78Å; R477-E534 PolarHBondContact NH2-OE1 3.43Å; R477-E534 IonicContact NH2-OE2 3.31Å; R477-E534 PolarHBondContact NH2-OE2 2.92Å; D530-E534 PolarHBondContact O-N 3.22Å; V531-E534 PolarHBondContact O-N 3.44Å |
| 535 | L | 89.4 | Confident | 90.5 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80 | -32.1 | 179.2 | -68.7 | 170.2 | 0 | 0 | 0 | 113.6 | Y481 L484 V531 I533 P537 I566 K569 V570 | Y481-L535 HydrophobicContact CD1-CD1 4.2Å; Y481-L535 HydrophobicContact CE1-CD1 3.79Å; L484-L535 HydrophobicContact CD1-CD1 3.4Å; L484-L535 VanDerWaalsContact CD1-CD1 3.4Å; V531-L535 HydrophobicContact CG1-CD1 3.97Å; V531-L535 WeakPolarHBondContact O-CB 3.32Å; V531-L535 WeakPolarHBondContact O-CG 3.34Å; V531-L535 PolarHBondContact O-N 3.18Å; I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 PolarHBondContact O-N 3.15Å; L535-P537 VanDerWaalsContact C-CD 3.45Å; L535-I566 HydrophobicContact CD1-CG2 4.41Å; L535-K569 HydrophobicContact CD2-CB 3.94Å; L535-K569 HydrophobicContact CD2-CD 4.3Å; L535-K569 WeakPolarHBondContact O-CD 3.45Å; L535-K569 WeakPolarHBondContact O-CE 3.44Å; L535-K569 PolarHBondContact O-NZ 3.08Å; L535-V570 HydrophobicContact CD1-CG2 3.93Å; L535-V570 HydrophobicContact CD2-CG2 4.48Å |
| 536 | A | 88.6 | Confident | 90 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -129.7 | 53.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L532 I533 C538 W539 I540 I566 | L532-A536 HydrophobicContact CD1-CB 4.42Å; L532-A536 WeakPolarHBondContact O-CA 3.45Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 3.19Å; I533-A536 PolarHBondContact O-N 2.96Å; A536-C538 PolarHBondContact O-N 3.37Å; A536-C538 VanDerWaalsContact O-N 3.11Å; A536-W539 HydrophobicContact CB-CB 4.22Å; A536-W539 HydrophobicContact CB-CE3 4.44Å; A536-W539 PolarHBondContact O-N 3.34Å; A536-I540 PolarHBondContact O-N 2.89Å; A536-I540 VanDerWaalsContact O-N 3.15Å; A536-I566 HydrophobicContact CB-CD1 4.49Å; A536-I566 HydrophobicContact CB-CG1 4.46Å | ||
| 537 | P | 87.7 | Confident | 89.6 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.1 | -175.3 | 30.3 | -37.3 | 0 | 0 | 0 | 114.6 | I533 L535 K553 | I533-P537 WeakPolarHBondContact O-CA 3.47Å; I533-P537 WeakPolarHBondContact O-CB 3.34Å; I533-P537 VanDerWaalsContact O-CD 3.27Å; I533-P537 WeakPolarHBondContact O-CD 3.32Å; I533-P537 VanDerWaalsContact O-N 3.16Å; L535-P537 VanDerWaalsContact C-CD 3.45Å; P537-K553 PolarHBondContact O-NZ 3.26Å |
| 538 | C | 86.1 | Confident | 89.4 | Confident | 56 Ų | 56 | 50 Ų | 50 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -23.4 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | A536 K553 | A536-C538 PolarHBondContact O-N 3.37Å; A536-C538 VanDerWaalsContact O-N 3.11Å; C538-K553 VanDerWaalsContact O-CB 3.28Å; C538-K553 WeakPolarHBondContact O-CB 3.44Å |
| 539 | W | 88.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -42.1 | -175.7 | -179.1 | 54 | 0 | 0 | 0 | 112.5 | V488 V491 W492 L532 A536 L552 K553 V562 | V488-W539 HydrophobicContact CB-CH2 4.34Å; V488-W539 HydrophobicContact CB-CZ3 4.37Å; V488-W539 HydrophobicContact CG1-CH2 3.78Å; V488-W539 HydrophobicContact CG1-CZ2 4.5Å; V488-W539 HydrophobicContact CG1-CZ3 4.01Å; V488-W539 HydrophobicContact CG2-CZ3 4.08Å; V491-W539 HydrophobicContact CG1-CH2 4.42Å; W492-W539 HydrophobicContact CB-CH2 4.31Å; W492-W539 HydrophobicContact CB-CZ2 3.92Å; W492-W539 HydrophobicContact CG-CZ2 4.39Å; L532-W539 HydrophobicContact CD1-CZ3 4.26Å; L532-W539 HydrophobicContact CD2-CZ3 4.17Å; L532-W539 HydrophobicContact CG-CZ3 4.49Å; A536-W539 HydrophobicContact CB-CB 4.22Å; A536-W539 HydrophobicContact CB-CE3 4.44Å; A536-W539 PolarHBondContact O-N 3.34Å; W539-L552 HydrophobicContact CD2-CD1 4.17Å; W539-L552 HydrophobicContact CG-CD1 4.42Å; W539-L552 HydrophobicContact CZ2-CD1 3.81Å; W539-K553 PolarHBondContact O-N 3.18Å; W539-V562 HydrophobicContact CB-CG2 4.38Å; W539-V562 HydrophobicContact CD2-CB 4.3Å; W539-V562 HydrophobicContact CD2-CG1 3.55Å; W539-V562 HydrophobicContact CD2-CG2 3.73Å; W539-V562 HydrophobicContact CE3-CG1 3.33Å; W539-V562 HydrophobicContact CE3-CG2 4.4Å; W539-V562 HydrophobicContact CG-CG1 4.18Å; W539-V562 HydrophobicContact CG-CG2 3.68Å; W539-V562 HydrophobicContact CH2-CG1 4.14Å; W539-V562 HydrophobicContact CZ2-CG1 4.3Å; W539-V562 HydrophobicContact CZ3-CG1 3.63Å |
| 540 | I | 89.3 | Confident | 89.2 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.9 | 179.7 | -69.9 | 175 | 0 | 0 | 0 | 110.4 | V491 L532 I533 A536 L550 R551 L552 | V491-I540 HydrophobicContact CG1-CD1 3.6Å; L532-I540 HydrophobicContact CD2-CD1 3.99Å; L532-I540 HydrophobicContact CG-CD1 4.33Å; I533-I540 HydrophobicContact CG1-CG2 3.81Å; A536-I540 PolarHBondContact O-N 2.89Å; A536-I540 VanDerWaalsContact O-N 3.15Å; I540-L550 HydrophobicContact CG2-CD1 3.38Å; I540-L550 HydrophobicContact CG2-CD2 4.2Å; I540-L550 HydrophobicContact CG2-CG 3.68Å; I540-R551 WeakPolarHBondContact CA-O 3.46Å; I540-L552 HydrophobicContact CG1-CD1 3.93Å |
| 541 | E | 89.6 | Confident | 89 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.2 | 173.7 | -178.3 | 159.5 | -107.1 | 0 | 0 | 112.4 | L543 R551 K553 | E541-L543 HydrophobicContact CG-CD2 4.01Å; E541-L543 HydrophobicContact CG-CG 4.46Å; E541-R551 PolarHBondContact N-O 2.75Å; E541-R551 PolarHBondContact O-N 2.8Å; E541-K553 HydrophobicContact CB-CD 4.28Å; E541-K553 HydrophobicContact CB-CG 4.24Å; E541-K553 WeakPolarHBondContact OE1-CE 3.19Å; E541-K553 IonicContact OE1-NZ 2.83Å; E541-K553 PolarHBondContact OE1-NZ 3.43Å; E541-K553 WeakPolarHBondContact OE2-CE 3.32Å; E541-K553 IonicContact OE2-NZ 2.67Å |
| 542 | K | 91 | Very high | 88.9 | Confident | 59 Ų | 59 | 53 Ų | 53 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 103.1 | 177 | -167.4 | 173.3 | -175.2 | 172.5 | 0 | 109.1 | D530 I533 I548 | D530-K542 WeakPolarHBondContact OD1-CE 3.49Å; D530-K542 IonicContact OD1-NZ 2.69Å; D530-K542 PolarHBondContact OD1-NZ 3.08Å; D530-K542 IonicContact OD2-NZ 3.9Å; D530-K542 PolarHBondContact OD2-NZ 3.48Å; I533-K542 HydrophobicContact CD1-CB 3.89Å; I533-K542 HydrophobicContact CD1-CD 4Å; I533-K542 HydrophobicContact CD1-CG 4.28Å; K542-I548 HydrophobicContact CD-CG2 4.17Å; K542-I548 HydrophobicContact CG-CG2 3.5Å |
| 543 | L | 88.9 | Confident | 88.6 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 107.8 | -179.1 | -64.1 | 176.6 | 0 | 0 | 0 | 109.9 | P502 E541 W545 H549 R551 | P502-L543 HydrophobicContact CB-CD1 4.03Å; P502-L543 HydrophobicContact CG-CD1 3.66Å; E541-L543 HydrophobicContact CG-CD2 4.01Å; E541-L543 HydrophobicContact CG-CG 4.46Å; L543-W545 VanDerWaalsContact C-N 3.28Å; L543-W545 HydrophobicContact CB-CD2 4.47Å; L543-W545 HydrophobicContact CD1-CH2 4.41Å; L543-W545 HydrophobicContact CD1-CZ2 3.89Å; L543-W545 PolarHBondContact O-N 3Å; L543-H549 HydrophobicContact CB-CB 4.29Å; L543-H549 PolarHBondContact N-O 3.29Å; L543-H549 PolarHBondContact O-N 3.41Å; L543-R551 HydrophobicContact CD1-CB 3.91Å; L543-R551 HydrophobicContact CG-CB 4.48Å |
| 544 | N | 87.4 | Confident | 88.2 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 66% | 0.663 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 73.7 | -179.7 | -63.9 | -33 | 0 | 0 | 0 | 111 | ||
| 545 | W | 88.1 | Confident | 87.5 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 55% | 0.549 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -87.5 | -167.2 | 168.5 | -59.5 | -16.3 | 0 | 0 | 0 | 110.5 | P502 L543 T547 H549 | P502-W545 HydrophobicContact CB-CH2 4.05Å; P502-W545 HydrophobicContact CB-CZ3 4.08Å; P502-W545 HydrophobicContact CG-CH2 3.72Å; P502-W545 HydrophobicContact CG-CZ2 4.38Å; P502-W545 HydrophobicContact CG-CZ3 4.25Å; L543-W545 VanDerWaalsContact C-N 3.28Å; L543-W545 HydrophobicContact CB-CD2 4.47Å; L543-W545 HydrophobicContact CD1-CH2 4.41Å; L543-W545 HydrophobicContact CD1-CZ2 3.89Å; L543-W545 PolarHBondContact O-N 3Å; W545-T547 CarbonylContact C-O 3.49Å; W545-T547 WeakPolarHBondContact CB-O 3.42Å; W545-T547 CarbonylContact O-C 3.55Å; W545-T547 PolarHBondContact O-N 3.1Å; W545-H549 HydrophobicContact CE3-CB 4.12Å; W545-H549 AromaticContact CE3-CD2 3.92Å; W545-H549 AromaticContact CE3-CE1 3.9Å; W545-H549 AromaticContact CE3-CG 3.65Å; W545-H549 AromaticContact CE3-ND1 3.63Å; W545-H549 HydrophobicContact CZ3-CB 4.46Å; W545-H549 AromaticContact CZ3-CD2 3.96Å |
| 546 | S | 83.5 | Confident | 87 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -52.9 | -34.4 | 175.5 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 547 | T | 84.3 | Confident | 86.7 | Confident | 72 Ų | 72 | 66 Ų | 66 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -117.6 | 144 | 158.7 | -58.3 | 0 | 0 | 0 | 0 | 107.5 | P504 W545 H549 | P504-T547 HydrophobicContact CB-CG2 4.26Å; W545-T547 CarbonylContact C-O 3.49Å; W545-T547 WeakPolarHBondContact CB-O 3.42Å; W545-T547 CarbonylContact O-C 3.55Å; W545-T547 PolarHBondContact O-N 3.1Å; T547-H549 PolarHBondContact O-N 3.22Å; T547-H549 PolarHBondContact O-ND1 3.44Å |
| 548 | I | 88.8 | Confident | 86.7 | Confident | 61 Ų | 61 | 65 Ų | 65 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.8 | 173.6 | -59.3 | 171.1 | 0 | 0 | 0 | 109 | L505 K542 | L505-I548 HydrophobicContact CB-CB 4.31Å; L505-I548 HydrophobicContact CB-CG2 4.09Å; L505-I548 WeakPolarHBondContact CB-O 3.39Å; L505-I548 HydrophobicContact CD2-CB 4.46Å; L505-I548 HydrophobicContact CD2-CG2 3.93Å; L505-I548 PolarHBondContact N-O 3.02Å; K542-I548 HydrophobicContact CD-CG2 4.17Å; K542-I548 HydrophobicContact CG-CG2 3.5Å |
| 549 | H | 90.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.4 | 174.2 | -73.3 | 63.3 | 0 | 0 | 0 | 111.1 | P502 L503 L543 W545 T547 | P502-H549 HydrophobicContact CB-CB 3.84Å; L503-H549 VanDerWaalsContact C-CD2 3.49Å; L503-H549 CarbonylContact O-C 3.47Å; L503-H549 VanDerWaalsContact O-CA 3.25Å; L503-H549 WeakPolarHBondContact O-CA 3.4Å; L543-H549 HydrophobicContact CB-CB 4.29Å; L543-H549 PolarHBondContact N-O 3.29Å; L543-H549 PolarHBondContact O-N 3.41Å; W545-H549 HydrophobicContact CE3-CB 4.12Å; W545-H549 AromaticContact CE3-CD2 3.92Å; W545-H549 AromaticContact CE3-CE1 3.9Å; W545-H549 AromaticContact CE3-CG 3.65Å; W545-H549 AromaticContact CE3-ND1 3.63Å; W545-H549 HydrophobicContact CZ3-CB 4.46Å; W545-H549 AromaticContact CZ3-CD2 3.96Å; T547-H549 PolarHBondContact O-N 3.22Å; T547-H549 PolarHBondContact O-ND1 3.44Å |
| 550 | L | 91.3 | Very high | 87 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.7 | 177.6 | -157.9 | 70.7 | 0 | 0 | 0 | 109.1 | V491 L495 P502 L503 L505 V508 L529 I533 I540 | V491-L550 HydrophobicContact CG1-CD2 4.36Å; L495-L550 HydrophobicContact CD1-CD2 4.17Å; L495-L550 HydrophobicContact CD1-CG 4.4Å; P502-L550 WeakPolarHBondContact CA-O 3.42Å; L503-L550 PolarHBondContact N-O 3.43Å; L503-L550 PolarHBondContact O-N 3.34Å; L505-L550 HydrophobicContact CD1-CD1 4.33Å; L505-L550 HydrophobicContact CD1-CD2 4.43Å; V508-L550 HydrophobicContact CB-CD2 4.37Å; V508-L550 HydrophobicContact CG1-CD2 3.96Å; V508-L550 HydrophobicContact CG2-CB 4.31Å; V508-L550 HydrophobicContact CG2-CD2 4.31Å; L529-L550 HydrophobicContact CD1-CD2 4.45Å; L529-L550 HydrophobicContact CD2-CD2 4.45Å; I533-L550 HydrophobicContact CD1-CD1 3.85Å; I533-L550 HydrophobicContact CG1-CD1 4.36Å; I540-L550 HydrophobicContact CG2-CD1 3.38Å; I540-L550 HydrophobicContact CG2-CD2 4.2Å; I540-L550 HydrophobicContact CG2-CG 3.68Å |
| 551 | R | 88.6 | Confident | 87 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.6 | 178.6 | -162.3 | -168.9 | 179.4 | -174 | -4.9 | 110.9 | A500 P502 I540 E541 L543 | A500-R551 PolarHBondContact O-NE 2.94Å; P502-R551 HydrophobicContact CB-CB 4.31Å; P502-R551 HydrophobicContact CG-CB 4.08Å; P502-R551 HydrophobicContact CG-CG 3.86Å; I540-R551 WeakPolarHBondContact CA-O 3.46Å; E541-R551 PolarHBondContact N-O 2.75Å; E541-R551 PolarHBondContact O-N 2.8Å; L543-R551 HydrophobicContact CD1-CB 3.91Å; L543-R551 HydrophobicContact CG-CB 4.48Å |
| 552 | L | 89.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126 | 165.9 | -143.3 | 62.2 | 0 | 0 | 0 | 108.7 | L495 W539 I540 P555 | L495-L552 HydrophobicContact CD1-CB 4.5Å; L495-L552 HydrophobicContact CD1-CD1 3.97Å; W539-L552 HydrophobicContact CD2-CD1 4.17Å; W539-L552 HydrophobicContact CG-CD1 4.42Å; W539-L552 HydrophobicContact CZ2-CD1 3.81Å; I540-L552 HydrophobicContact CG1-CD1 3.93Å; L552-P555 HydrophobicContact CD2-CB 4.33Å |
| 553 | K | 85.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 70 Ų | 70 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -76.8 | -58.9 | 176 | -93.3 | 177.4 | 171.1 | 157.2 | 0 | 111 | P537 C538 W539 E541 P555 | P537-K553 PolarHBondContact O-NZ 3.26Å; C538-K553 VanDerWaalsContact O-CB 3.28Å; C538-K553 WeakPolarHBondContact O-CB 3.44Å; W539-K553 PolarHBondContact O-N 3.18Å; E541-K553 HydrophobicContact CB-CD 4.28Å; E541-K553 HydrophobicContact CB-CG 4.24Å; E541-K553 WeakPolarHBondContact OE1-CE 3.19Å; E541-K553 IonicContact OE1-NZ 2.83Å; E541-K553 PolarHBondContact OE1-NZ 3.43Å; E541-K553 WeakPolarHBondContact OE2-CE 3.32Å; E541-K553 IonicContact OE2-NZ 2.67Å; K553-P555 WeakPolarHBondContact O-CD 3.35Å |
| 554 | D | 82.8 | Confident | 87.2 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | -105.3 | 91.9 | -179.8 | -60.2 | -21.8 | 0 | 0 | 0 | 109.6 | E556 R557 | D554-E556 VanDerWaalsContact C-N 3.27Å; D554-E556 PolarHBondContact O-N 2.99Å; D554-R557 HydrophobicContact CB-CB 3.89Å; D554-R557 PolarHBondContact O-N 3.39Å | ||
| 555 | P | 78 | Confident | 87.4 | Confident | 41 Ų | 41 | 69 Ų | 69 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.6 | -177.7 | 27 | -35 | 0 | 0 | 0 | 113.4 | R496 A500 L552 K553 | R496-P555 PolarHBondContact NH1-O 3.46Å; A500-P555 HydrophobicContact CB-CB 4.35Å; L552-P555 HydrophobicContact CD2-CB 4.33Å; K553-P555 WeakPolarHBondContact O-CD 3.35Å |
| 556 | E | 78.8 | Confident | 87.5 | Confident | 140 Ų | 140 | 62 Ų | 62 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.1 | -179.5 | -54.5 | -39.4 | 125.1 | 0 | 0 | 114.2 | R496 D554 S558 | R496-E556 IonicContact CZ-OE2 2.7Å; R496-E556 IonicContact NH1-OE1 2.98Å; R496-E556 IonicContact NH1-OE2 3.47Å; R496-E556 IonicContact NH2-OE1 2.67Å; R496-E556 IonicContact NH2-OE2 2.78Å; R496-E556 PolarHBondContact NH2-OE2 2.85Å; D554-E556 VanDerWaalsContact C-N 3.27Å; D554-E556 PolarHBondContact O-N 2.99Å; E556-S558 PolarHBondContact O-N 3.22Å |
| 557 | R | 82.2 | Confident | 87.9 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -69.3 | 128.3 | 176.2 | -161.9 | 170.6 | -167 | -76.8 | -9.1 | 109.8 | D554 D561 V562 | D554-R557 HydrophobicContact CB-CB 3.89Å; D554-R557 PolarHBondContact O-N 3.39Å; R557-D561 PolarHBondContact NH1-O 3.28Å; R557-D561 PolarHBondContact NH2-O 3.46Å; R557-V562 HydrophobicContact CG-CG2 4.4Å |
| 558 | S | 87.2 | Confident | 88.1 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -72.3 | 150.4 | -171.7 | 96.2 | 0 | 0 | 0 | 0 | 111.8 | E556 K560 D561 V562 | E556-S558 PolarHBondContact O-N 3.22Å; S558-K560 PolarHBondContact O-N 3.48Å; S558-K560 PolarHBondContact OG-N 2.83Å; S558-D561 WeakPolarHBondContact CB-OD2 3.36Å; S558-D561 PolarHBondContact N-OD2 2.77Å; S558-D561 PolarHBondContact O-N 2.84Å; S558-D561 PolarHBondContact OG-N 3.35Å; S558-D561 PolarHBondContact OG-OD1 2.8Å; S558-D561 PolarHBondContact OG-OD2 3.48Å; S558-V562 WeakPolarHBondContact O-CG2 3.47Å; S558-V562 PolarHBondContact O-N 3.24Å | ||
| 559 | V | 89.6 | Confident | 88.1 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -29.4 | -179.6 | -164.8 | 0 | 0 | 0 | 0 | 111.6 | V488 T489 W492 I563 | V488-V559 HydrophobicContact CG1-CG1 3.88Å; T489-V559 HydrophobicContact CG2-CG1 4.04Å; W492-V559 HydrophobicContact CB-CG2 4.24Å; W492-V559 HydrophobicContact CD2-CG2 3.35Å; W492-V559 VanDerWaalsContact CE2-CG2 3.44Å; W492-V559 HydrophobicContact CE3-CG2 3.85Å; W492-V559 HydrophobicContact CG-CG2 3.54Å; W492-V559 HydrophobicContact CH2-CG2 4.41Å; W492-V559 HydrophobicContact CZ2-CG2 3.99Å; W492-V559 HydrophobicContact CZ3-CG2 4.35Å; V559-I563 HydrophobicContact CG1-CD1 4.16Å; V559-I563 VanDerWaalsContact O-CG1 3.31Å; V559-I563 WeakPolarHBondContact O-CG1 3.34Å; V559-I563 PolarHBondContact O-N 3.34Å |
| 560 | K | 90.4 | Very high | 88 | Confident | 154 Ų | 154 | 57.3 Ų | 57.3 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.9 | -53 | 176.4 | -64.5 | -178.7 | 178.7 | -179.7 | 0 | 110.6 | S558 V562 I563 D564 | S558-K560 PolarHBondContact O-N 3.48Å; S558-K560 PolarHBondContact OG-N 2.83Å; K560-V562 PolarHBondContact O-N 3.25Å; K560-I563 PolarHBondContact O-N 3.19Å; K560-D564 PolarHBondContact O-N 3.03Å |
| 561 | D | 90.9 | Very high | 87.7 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.3 | -23.5 | 179.8 | -40.6 | -44.7 | 0 | 0 | 0 | 113 | R557 S558 L565 | R557-D561 PolarHBondContact NH1-O 3.28Å; R557-D561 PolarHBondContact NH2-O 3.46Å; S558-D561 WeakPolarHBondContact CB-OD2 3.36Å; S558-D561 PolarHBondContact N-OD2 2.77Å; S558-D561 PolarHBondContact O-N 2.84Å; S558-D561 PolarHBondContact OG-N 3.35Å; S558-D561 PolarHBondContact OG-OD1 2.8Å; S558-D561 PolarHBondContact OG-OD2 3.48Å; D561-L565 WeakPolarHBondContact O-CB 3.45Å; D561-L565 PolarHBondContact O-N 3.22Å |
| 562 | V | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.7 | -48.3 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 111 | V488 W539 R557 S558 K560 D564 L565 I566 | V488-V562 HydrophobicContact CG1-CB 4.3Å; V488-V562 HydrophobicContact CG1-CG1 3.67Å; V488-V562 HydrophobicContact CG2-CG1 4.29Å; W539-V562 HydrophobicContact CB-CG2 4.38Å; W539-V562 HydrophobicContact CD2-CB 4.3Å; W539-V562 HydrophobicContact CD2-CG1 3.55Å; W539-V562 HydrophobicContact CD2-CG2 3.73Å; W539-V562 HydrophobicContact CE3-CG1 3.33Å; W539-V562 HydrophobicContact CE3-CG2 4.4Å; W539-V562 HydrophobicContact CG-CG1 4.18Å; W539-V562 HydrophobicContact CG-CG2 3.68Å; W539-V562 HydrophobicContact CH2-CG1 4.14Å; W539-V562 HydrophobicContact CZ2-CG1 4.3Å; W539-V562 HydrophobicContact CZ3-CG1 3.63Å; R557-V562 HydrophobicContact CG-CG2 4.4Å; S558-V562 WeakPolarHBondContact O-CG2 3.47Å; S558-V562 PolarHBondContact O-N 3.24Å; K560-V562 PolarHBondContact O-N 3.25Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.08Å; V562-L565 PolarHBondContact O-N 2.9Å; V562-I566 HydrophobicContact CG1-CD1 3.93Å; V562-I566 WeakPolarHBondContact O-CD1 3.45Å; V562-I566 VanDerWaalsContact O-CG1 3.31Å; V562-I566 WeakPolarHBondContact O-CG1 3.48Å; V562-I566 PolarHBondContact O-N 3.48Å |
| 563 | I | 91.9 | Very high | 87 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.5 | -70.8 | 170 | 0 | 0 | 0 | 110.6 | P485 V488 T489 V559 K560 I566 K567 | P485-I563 HydrophobicContact CB-CG2 4.14Å; V488-I563 HydrophobicContact CB-CG1 4.2Å; V488-I563 HydrophobicContact CG1-CD1 4.35Å; V488-I563 HydrophobicContact CG1-CG1 3.73Å; T489-I563 HydrophobicContact CG2-CD1 4.1Å; V559-I563 HydrophobicContact CG1-CD1 4.16Å; V559-I563 VanDerWaalsContact O-CG1 3.31Å; V559-I563 WeakPolarHBondContact O-CG1 3.34Å; V559-I563 PolarHBondContact O-N 3.34Å; K560-I563 PolarHBondContact O-N 3.19Å; I563-I566 PolarHBondContact O-N 2.72Å; I563-K567 HydrophobicContact CG2-CD 3.91Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CG 3.43Å; I563-K567 PolarHBondContact O-N 2.93Å |
| 564 | D | 91.4 | Very high | 86.4 | Confident | 89 Ų | 89 | 64 Ų | 64 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | -177.5 | -62 | -32.7 | 0 | 0 | 0 | 112.2 | K560 V562 S568 | K560-D564 PolarHBondContact O-N 3.03Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.08Å; D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.39Å; D564-S568 PolarHBondContact O-N 3.5Å |
| 565 | L | 90.8 | Very high | 86.1 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 168.1 | 174.8 | 64.1 | 0 | 0 | 0 | 111.8 | D561 V562 S568 K569 | D561-L565 WeakPolarHBondContact O-CB 3.45Å; D561-L565 PolarHBondContact O-N 3.22Å; V562-L565 PolarHBondContact O-N 2.9Å; L565-S568 PolarHBondContact O-N 2.93Å; L565-K569 PolarHBondContact O-N 3.32Å |
| 566 | I | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -47.6 | 178 | -70.8 | 160.9 | 0 | 0 | 0 | 110.3 | L484 V488 L532 L535 A536 V562 I563 S568 K569 V570 I577 | L484-I566 HydrophobicContact CB-CG2 4.23Å; L484-I566 HydrophobicContact CD1-CG2 4.06Å; V488-I566 HydrophobicContact CG2-CD1 3.43Å; V488-I566 VanDerWaalsContact CG2-CD1 3.43Å; L532-I566 HydrophobicContact CD1-CD1 3.42Å; L532-I566 VanDerWaalsContact CD1-CD1 3.42Å; L532-I566 HydrophobicContact CD1-CG1 4.44Å; L535-I566 HydrophobicContact CD1-CG2 4.41Å; A536-I566 HydrophobicContact CB-CD1 4.49Å; A536-I566 HydrophobicContact CB-CG1 4.46Å; V562-I566 HydrophobicContact CG1-CD1 3.93Å; V562-I566 WeakPolarHBondContact O-CD1 3.45Å; V562-I566 VanDerWaalsContact O-CG1 3.31Å; V562-I566 WeakPolarHBondContact O-CG1 3.48Å; V562-I566 PolarHBondContact O-N 3.48Å; I563-I566 PolarHBondContact O-N 2.72Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.28Å; I566-K569 PolarHBondContact O-N 3.48Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.33Å; I566-V570 VanDerWaalsContact O-CG2 3.3Å; I566-V570 WeakPolarHBondContact O-CG2 3.33Å; I566-V570 PolarHBondContact O-N 3Å; I566-I577 HydrophobicContact CG2-CD1 4.3Å |
| 567 | K | 90.7 | Very high | 86 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 30% | 0.296 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.9 | -48.3 | 172 | -74.4 | 169.9 | 168.3 | -82.9 | 0 | 111.4 | I563 K569 V570 A571 I577 | I563-K567 HydrophobicContact CG2-CD 3.91Å; I563-K567 HydrophobicContact CG2-CG 4.4Å; I563-K567 WeakPolarHBondContact O-CG 3.43Å; I563-K567 PolarHBondContact O-N 2.93Å; K567-K569 VanDerWaalsContact C-N 3.35Å; K567-K569 PolarHBondContact O-N 2.92Å; K567-V570 PolarHBondContact O-N 3.01Å; K567-A571 VanDerWaalsContact O-CB 3.26Å; K567-A571 WeakPolarHBondContact O-CB 3.15Å; K567-A571 PolarHBondContact O-N 3.32Å; K567-I577 HydrophobicContact CG-CD1 4.21Å; K567-I577 HydrophobicContact CG-CG1 4.1Å; K567-I577 PolarHBondContact NZ-O 2.74Å; K567-I577 PolarHBondContact NZ-OXT 3.37Å |
| 568 | S | 89.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 113.6 | D564 L565 I566 K572 | D564-S568 VanDerWaalsContact O-CB 3.27Å; D564-S568 WeakPolarHBondContact O-CB 3.39Å; D564-S568 PolarHBondContact O-N 3.5Å; L565-S568 PolarHBondContact O-N 2.93Å; I566-S568 VanDerWaalsContact C-N 3.32Å; I566-S568 PolarHBondContact O-N 3.28Å; S568-K572 WeakPolarHBondContact O-CG 3.29Å |
| 569 | K | 88.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.8 | -47.3 | 174.7 | -76.7 | -176.2 | 172.5 | -168.9 | 0 | 112.2 | L535 L565 I566 K567 A571 K572 D573 | L535-K569 HydrophobicContact CD2-CB 3.94Å; L535-K569 HydrophobicContact CD2-CD 4.3Å; L535-K569 WeakPolarHBondContact O-CD 3.45Å; L535-K569 WeakPolarHBondContact O-CE 3.44Å; L535-K569 PolarHBondContact O-NZ 3.08Å; L565-K569 PolarHBondContact O-N 3.32Å; I566-K569 PolarHBondContact O-N 3.48Å; K567-K569 VanDerWaalsContact C-N 3.35Å; K567-K569 PolarHBondContact O-N 2.92Å; K569-A571 VanDerWaalsContact C-N 3.25Å; K569-A571 PolarHBondContact O-N 3.32Å; K569-K572 WeakPolarHBondContact O-CB 3.45Å; K569-K572 PolarHBondContact O-N 3.13Å; K569-D573 PolarHBondContact O-N 2.9Å |
| 570 | V | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -35 | 179 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | Y481 L535 I566 K567 K572 D573 G574 V575 I577 | Y481-V570 HydrophobicContact CD1-CG2 4.17Å; Y481-V570 HydrophobicContact CD2-CB 4.19Å; Y481-V570 HydrophobicContact CD2-CG1 3.41Å; Y481-V570 VanDerWaalsContact CD2-CG1 3.41Å; Y481-V570 HydrophobicContact CD2-CG2 3.85Å; Y481-V570 HydrophobicContact CE1-CG2 4.35Å; Y481-V570 HydrophobicContact CE2-CB 4.39Å; Y481-V570 HydrophobicContact CE2-CG1 3.97Å; Y481-V570 HydrophobicContact CE2-CG2 3.99Å; Y481-V570 HydrophobicContact CG-CG1 3.94Å; Y481-V570 HydrophobicContact CG-CG2 3.89Å; L535-V570 HydrophobicContact CD1-CG2 3.93Å; L535-V570 HydrophobicContact CD2-CG2 4.48Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.33Å; I566-V570 VanDerWaalsContact O-CG2 3.3Å; I566-V570 WeakPolarHBondContact O-CG2 3.33Å; I566-V570 PolarHBondContact O-N 3Å; K567-V570 PolarHBondContact O-N 3.01Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3Å; V570-D573 WeakPolarHBondContact O-CB 3.25Å; V570-D573 PolarHBondContact O-N 3.07Å; V570-G574 PolarHBondContact O-N 2.91Å; V570-V575 CarbonylContact C-O 3.57Å; V570-V575 HydrophobicContact CG1-CB 3.73Å; V570-V575 HydrophobicContact CG1-CG1 3.81Å; V570-V575 WeakPolarHBondContact CG1-O 3.41Å; V570-V575 PolarHBondContact O-N 2.93Å; V570-I577 HydrophobicContact CB-CD1 3.81Å; V570-I577 HydrophobicContact CB-CG1 4.09Å; V570-I577 HydrophobicContact CG1-CD1 3.73Å; V570-I577 HydrophobicContact CG1-CG1 3.71Å; V570-I577 HydrophobicContact CG1-CG2 4.29Å; V570-I577 HydrophobicContact CG2-CD1 3.93Å |
| 571 | A | 86.1 | Confident | 85.6 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -34.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K567 K569 D573 G574 V575 | K567-A571 VanDerWaalsContact O-CB 3.26Å; K567-A571 WeakPolarHBondContact O-CB 3.15Å; K567-A571 PolarHBondContact O-N 3.32Å; K569-A571 VanDerWaalsContact C-N 3.25Å; K569-A571 PolarHBondContact O-N 3.32Å; A571-D573 VanDerWaalsContact C-N 3.3Å; A571-D573 PolarHBondContact O-N 3.33Å; A571-G574 PolarHBondContact O-N 3.34Å; A571-G574 VanDerWaalsContact O-N 3.09Å; A571-V575 VanDerWaalsContact CA-O 3.22Å; A571-V575 WeakPolarHBondContact CA-O 3.29Å; A571-V575 PolarHBondContact N-O 3.28Å |
| 572 | K | 83.4 | Confident | 85.3 | Confident | 168 Ų | 168 | 56.9 Ų | 56.9 | 73% | 0.73 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.9 | -26.5 | 176.5 | -67.8 | 169.1 | -174.4 | -179.3 | 0 | 112.6 | S568 K569 V570 G574 | S568-K572 WeakPolarHBondContact O-CG 3.29Å; K569-K572 WeakPolarHBondContact O-CB 3.45Å; K569-K572 PolarHBondContact O-N 3.13Å; V570-K572 VanDerWaalsContact C-N 3.32Å; V570-K572 PolarHBondContact O-N 3Å; K572-G574 PolarHBondContact O-N 3.31Å |
| 573 | D | 79.1 | Confident | 84.9 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.2 | 171.3 | -63.5 | -11.9 | 0 | 0 | 0 | 112.8 | V473 Y481 K569 V570 A571 | V473-D573 HydrophobicContact CG2-CB 3.55Å; Y481-D573 HydrophobicContact CE2-CB 4.28Å; Y481-D573 WeakPolarHBondContact CE2-OD2 3.34Å; Y481-D573 PolarHBondContact OH-OD2 2.87Å; K569-D573 PolarHBondContact O-N 2.9Å; V570-D573 WeakPolarHBondContact O-CB 3.25Å; V570-D573 PolarHBondContact O-N 3.07Å; A571-D573 VanDerWaalsContact C-N 3.3Å; A571-D573 PolarHBondContact O-N 3.33Å |
| 574 | G | 74.3 | Confident | 84.4 | Confident | 67 Ų | 67 | 63 Ų | 63 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | 18.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V570 A571 K572 | V570-G574 PolarHBondContact O-N 2.91Å; A571-G574 PolarHBondContact O-N 3.34Å; A571-G574 VanDerWaalsContact O-N 3.09Å; K572-G574 PolarHBondContact O-N 3.31Å |
| 575 | V | 76.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | trans | -115.6 | 133 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | V473 R478 Y481 V570 A571 I577 | V473-V575 HydrophobicContact CB-CG2 4.11Å; V473-V575 HydrophobicContact CG2-CG2 4.01Å; R478-V575 HydrophobicContact CG-CG1 3.89Å; R478-V575 HydrophobicContact CG-CG2 4.05Å; Y481-V575 HydrophobicContact CD2-CB 4.19Å; Y481-V575 HydrophobicContact CD2-CG1 4.24Å; Y481-V575 HydrophobicContact CD2-CG2 4.3Å; V570-V575 CarbonylContact C-O 3.57Å; V570-V575 HydrophobicContact CG1-CB 3.73Å; V570-V575 HydrophobicContact CG1-CG1 3.81Å; V570-V575 WeakPolarHBondContact CG1-O 3.41Å; V570-V575 PolarHBondContact O-N 2.93Å; A571-V575 VanDerWaalsContact CA-O 3.22Å; A571-V575 WeakPolarHBondContact CA-O 3.29Å; A571-V575 PolarHBondContact N-O 3.28Å; V575-I577 HydrophobicContact CG1-CG2 4.13Å | ||
| 576 | N | 75.8 | Confident | 83.3 | Confident | 147 Ų | 147 | 62.4 Ų | 62.4 | 79% | 0.786 | 36% | 0.356 | S | S | * | . | trans | -105.5 | 134.5 | 176.7 | -155.7 | -0.7 | 0 | 0 | 0 | 110 | ||||
| 577 | I | 77.1 | Confident | 82.7 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | trans | -147.6 | 0 | -172.8 | 51.7 | 158.8 | 0 | 0 | 0 | 111.1 | P485 I566 K567 V570 V575 | P485-I577 HydrophobicContact CG-CD1 4.31Å; I566-I577 HydrophobicContact CG2-CD1 4.3Å; K567-I577 HydrophobicContact CG-CD1 4.21Å; K567-I577 HydrophobicContact CG-CG1 4.1Å; K567-I577 PolarHBondContact NZ-O 2.74Å; K567-I577 PolarHBondContact NZ-OXT 3.37Å; V570-I577 HydrophobicContact CB-CD1 3.81Å; V570-I577 HydrophobicContact CB-CG1 4.09Å; V570-I577 HydrophobicContact CG1-CD1 3.73Å; V570-I577 HydrophobicContact CG1-CG1 3.71Å; V570-I577 HydrophobicContact CG1-CG2 4.29Å; V570-I577 HydrophobicContact CG2-CD1 3.93Å; V575-I577 HydrophobicContact CG1-CG2 4.13Å |
Retrieved 577 of 577 residues in 119.7 ms
(Link to these results)