| 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 | 52.8 | Low | 45 | Very low | 243 Ų | 243 | 163.8 Ų | 163.8 | 100% | 1.197 | 84% | 0.838 | S | S | * | * | 0 | 88.4 | 0 | -59.7 | 175.3 | 74.8 | 0 | 0 | 105.6 | |||||
| 2 | T | 47.9 | Very low | 44.9 | Very low | 148 Ų | 148 | 166.8 Ų | 166.8 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | -137.5 | 157.3 | 68.6 | 44 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | S | 39.8 | Very low | 44.1 | Very low | 102 Ų | 102 | 158.6 Ų | 158.6 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | trans | -76.7 | 128.5 | -163.7 | -149.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4 | L | 48.4 | Very low | 43.6 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 72% | 0.723 | 82% | 0.822 | S | S | * | * | 79.2 | 105.3 | 98.8 | -59.8 | 179.2 | 0 | 0 | 0 | 118 | |||||
| 5 | F | 47.3 | Very low | 43.1 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 82% | 0.82 | 83% | 0.825 | S | S | * | * | trans | 36 | 119.6 | 133.7 | -62 | -84.9 | 0 | 0 | 0 | 123.4 | ||||
| 6 | R | 53.2 | Low | 42.7 | Very low | 233 Ų | 233 | 154.8 Ų | 154.8 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | 18.4 | 119.6 | 117.1 | -162.5 | -172.8 | -64.6 | -113.5 | 3.5 | 118.3 | |||||
| 7 | R | 44.3 | Very low | 42.8 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | trans | -162.4 | 110.9 | 146.9 | -108.6 | 165.9 | 162.6 | -155.2 | -4.7 | 106.6 | ||||
| 8 | S | 36.9 | Very low | 42.4 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | 70.9 | 106.7 | 67.7 | -144.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 9 | N | 40.3 | Very low | 42.1 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 83 | 133.5 | 131.5 | -144.7 | 32 | 0 | 0 | 0 | 123.5 | ||||
| 10 | S | 43.2 | Very low | 42.1 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 66% | 0.664 | 83% | 0.827 | S | S | * | * | trans | 91.2 | 112.5 | 141 | 72.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 11 | N | 41.2 | Very low | 42 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 83% | 0.829 | 83% | 0.83 | S | S | * | * | 71.1 | 119.2 | 115.1 | -152.5 | 39.9 | 0 | 0 | 0 | 122 | |||||
| 12 | K | 43.8 | Very low | 41.3 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | 166.9 | 119 | 138.3 | -96.3 | 178.7 | 176.6 | -168.7 | 0 | 107.5 | ||||
| 13 | G | 34 | Very low | 40.6 | Very low | 60 Ų | 60 | 139.5 Ų | 139.5 | 62% | 0.619 | 81% | 0.808 | S | S | * | * | 91.2 | 101.7 | 73.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 14 | S | 37.2 | Very low | 40.5 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | 65.9 | 128.8 | 108.6 | -43.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 15 | E | 36.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | -174.1 | 130.2 | 55.2 | -67.9 | 174.3 | 142.6 | 0 | 0 | 105.7 | |||||
| 16 | S | 36.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | 68.2 | 124.9 | 93.3 | 135.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 17 | S | 42.8 | Very low | 39.3 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 124.8 | 126.1 | 151.7 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 18 | G | 36.8 | Very low | 39.2 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | cis | 152.9 | 128.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 19 | G | 36.6 | Very low | 39.5 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 93.7 | 143.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 20 | R | 41.8 | Very low | 39.5 | Very low | 239 Ų | 239 | 126.5 Ų | 126.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | cis | -176.9 | 171 | 3 | -124.3 | 164.2 | 159 | 175.5 | -8.9 | 108.4 | ||||
| 21 | D | 40.3 | Very low | 39.3 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | 88.3 | 123.2 | 173.2 | -69.4 | -67.9 | 0 | 0 | 0 | 117.2 | ||||
| 22 | G | 36.9 | Very low | 39.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 173 | 146.6 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | G | 33.7 | Very low | 39.7 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | 75 | 128.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 24 | G | 37 | Very low | 40.5 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | cis | 118.6 | 60.6 | 22.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 25 | T | 36.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -142.9 | 120.7 | 162 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 26 | T | 46.3 | Very low | 41.2 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -74.2 | 122.3 | 174.9 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 27 | S | 42.7 | Very low | 42 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -175.1 | 101.7 | 151.1 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 28 | G | 41 | Very low | 42.3 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 54.9 | 72.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | L30 | G28-L30 PolarHBondContact O-N 3.07Š| ||
| 29 | Q | 42.6 | Very low | 43.1 | Very low | 204 Ų | 204 | 135 Ų | 135 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -71 | 76 | 156 | -161.1 | 170.2 | -51.3 | 0 | 0 | 108.6 | N31 | Q29-N31 PolarHBondContact O-N 3.23Š| ||
| 30 | L | 40.3 | Very low | 44.2 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -77.8 | 95.3 | 175.7 | -66 | -178.1 | 0 | 0 | 0 | 109.4 | G28 N32 | G28-L30 PolarHBondContact O-N 3.07Å; L30-N32 PolarHBondContact O-N 3.31Å | ||
| 31 | N | 40.5 | Very low | 44.8 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -9.5 | 91.4 | 147.2 | -152 | -2.1 | 0 | 0 | 0 | 114.2 | Q29 S33 | Q29-N31 PolarHBondContact O-N 3.23Å; N31-S33 PolarHBondContact O-N 3.39Å; N31-S33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | N | 47.3 | Very low | 45.9 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -83 | 21.9 | -178 | -122.6 | 7.4 | 0 | 0 | 0 | 113.4 | L30 R34 | L30-N32 PolarHBondContact O-N 3.31Å; N32-R34 PolarHBondContact O-N 3.03Å | ||
| 33 | S | 46.2 | Very low | 47.7 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -95.8 | 70.6 | 173.3 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | N31 | N31-S33 PolarHBondContact O-N 3.39Å; N31-S33 VanDerWaalsContact O-N 3.16Å | ||
| 34 | R | 50.4 | Low | 49.8 | Very low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -93.2 | 134.7 | 159.4 | -78.4 | -175.4 | 175.4 | -170.7 | -0.5 | 109.2 | N32 N36 | N32-R34 PolarHBondContact O-N 3.03Å; R34-N36 PolarHBondContact O-N 2.71Å | ||
| 35 | P | 44.9 | Very low | 51.9 | Low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | -64.8 | 118.8 | -177.7 | 26.8 | -33 | 0 | 0 | 0 | 109.7 | R37 | P35-R37 PolarHBondContact O-N 3.37Š| ||
| 36 | N | 44.2 | Very low | 54.3 | Low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | 17.4 | 69.1 | 156.7 | -159.8 | 1.2 | 0 | 0 | 0 | 115.2 | R34 | R34-N36 PolarHBondContact O-N 2.71Š| ||
| 37 | R | 53.3 | Low | 56.3 | Low | 214 Ų | 214 | 127.5 Ų | 127.5 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | trans | -73.7 | 133.8 | 155.4 | -95.4 | -173.5 | 176.9 | -124.6 | -0.9 | 106.1 | P35 V39 | P35-R37 PolarHBondContact O-N 3.37Å; R37-V39 VanDerWaalsContact C-N 3.3Å; R37-V39 PolarHBondContact O-N 3.13Å | ||
| 38 | P | 48.2 | Very low | 58.6 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 73% | 0.734 | 63% | 0.625 | S | S | * | * | trans | -62.8 | 99.1 | 173.9 | 26.4 | -31.9 | 0 | 0 | 0 | 107.3 | R40 | P38-R40 PolarHBondContact O-N 2.99Š| ||
| 39 | V | 54 | Low | 61 | Low | 69 Ų | 69 | 125 Ų | 125 | 42% | 0.418 | 62% | 0.617 | S | S | . | * | trans | -57.5 | 113.7 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 105 | R37 H41 A73 | R37-V39 VanDerWaalsContact C-N 3.3Å; R37-V39 PolarHBondContact O-N 3.13Å; V39-H41 PolarHBondContact O-CD2 3.38Å; V39-H41 VanDerWaalsContact O-CD2 3.28Å; V39-H41 PolarHBondContact O-N 2.78Å; V39-A73 HydrophobicContact CG1-CB 4.37Å | ||
| 40 | R | 59.2 | Low | 63.4 | Low | 181 Ų | 181 | 118.2 Ų | 118.2 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | trans | -68.1 | 82.2 | 175 | -71.8 | -178.6 | 66.6 | 83.8 | -1.6 | 107.1 | P38 L42 V74 | P38-R40 PolarHBondContact O-N 2.99Å; R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 2.91Å; R40-V74 WeakPolarHBondContact O-CG2 3.4Å | ||
| 41 | H | 54.5 | Low | 65.9 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.616 | 55% | 0.55 | S | S | * | . | trans | -70.6 | 88.6 | 170 | -68 | -73.8 | 0 | 0 | 0 | 107.2 | V39 | V39-H41 PolarHBondContact O-CD2 3.38Å; V39-H41 VanDerWaalsContact O-CD2 3.28Å; V39-H41 PolarHBondContact O-N 2.78Å | ||
| 42 | L | 64.8 | Low | 68.4 | Low | 57 Ų | 57 | 106.8 Ų | 106.8 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | trans | -62.3 | 145.5 | 164.4 | -113.1 | 69.6 | 0 | 0 | 0 | 108.4 | R40 F44 Q46 A47 V74 | R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 2.91Å; L42-F44 PolarHBondContact O-N 3.35Å; L42-Q46 HydrophobicContact CD2-CG 4.03Å; L42-Q46 HydrophobicContact CG-CG 4.5Å; L42-A47 HydrophobicContact CB-CB 3.95Å; L42-V74 HydrophobicContact CB-CG2 4.42Å | ||
| 43 | E | 74.1 | Confident | 70.6 | Confident | 159 Ų | 159 | 103.8 Ų | 103.8 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | trans | -53 | 130.6 | 171.9 | -66.3 | -172.3 | 135.5 | 0 | 0 | 108.7 | N45 Q46 A47 | E43-N45 PolarHBondContact O-N 2.77Å; E43-N45 VanDerWaalsContact O-N 3.07Å; E43-Q46 HydrophobicContact CB-CB 4.18Å; E43-Q46 CarbonylContact O-C 3.57Å; E43-Q46 WeakPolarHBondContact O-CA 3.41Å; E43-Q46 WeakPolarHBondContact O-CB 3.32Å; E43-Q46 PolarHBondContact O-N 3.05Å; E43-A47 PolarHBondContact O-N 2.86Å | ||
| 44 | F | 78.3 | Confident | 72.7 | Confident | 89 Ų | 89 | 102.9 Ų | 102.9 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -49.4 | -42 | -170.3 | 172.9 | -94.1 | 0 | 0 | 0 | 113.7 | L42 A47 M48 E64 L67 | L42-F44 PolarHBondContact O-N 3.35Å; F44-A47 PolarHBondContact O-N 3.11Å; F44-M48 HydrophobicContact CE1-CE 4.31Å; F44-M48 HydrophobicContact CE2-CE 4Å; F44-M48 HydrophobicContact CZ-CE 3.72Å; F44-M48 WeakPolarHBondContact O-CB 3.42Å; F44-M48 PolarHBondContact O-N 2.69Å; F44-E64 HydrophobicContact CE2-CG 4.28Å; F44-E64 HydrophobicContact CZ-CG 3.9Å; F44-L67 HydrophobicContact CD2-CD2 3.78Å; F44-L67 HydrophobicContact CE2-CD2 3.94Å |
| 45 | N | 80.3 | Confident | 74.7 | Confident | 120 Ų | 120 | 92.6 Ų | 92.6 | 64% | 0.642 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | 177.3 | -65.4 | -43.1 | 0 | 0 | 0 | 112.1 | E43 M48 E49 | E43-N45 PolarHBondContact O-N 2.77Å; E43-N45 VanDerWaalsContact O-N 3.07Å; N45-M48 WeakPolarHBondContact O-CB 3.32Å; N45-M48 PolarHBondContact O-N 3.42Å; N45-E49 WeakPolarHBondContact O-CG 3.22Å; N45-E49 PolarHBondContact O-N 3.17Å |
| 46 | Q | 87 | Confident | 76.9 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 176.2 | -170.6 | 62.4 | 70.9 | 0 | 0 | 111.7 | L42 E43 M48 E49 D50 | L42-Q46 HydrophobicContact CD2-CG 4.03Å; L42-Q46 HydrophobicContact CG-CG 4.5Å; E43-Q46 HydrophobicContact CB-CB 4.18Å; E43-Q46 CarbonylContact O-C 3.57Å; E43-Q46 WeakPolarHBondContact O-CA 3.41Å; E43-Q46 WeakPolarHBondContact O-CB 3.32Å; E43-Q46 PolarHBondContact O-N 3.05Å; Q46-M48 VanDerWaalsContact C-N 3.32Å; Q46-E49 PolarHBondContact O-N 3.42Å; Q46-D50 WeakPolarHBondContact O-CB 3.28Å; Q46-D50 PolarHBondContact O-N 3.06Å |
| 47 | A | 89.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 88.7 Ų | 88.7 | 2% | 0.017 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L42 E43 F44 E49 D50 F51 L67 | L42-A47 HydrophobicContact CB-CB 3.95Å; E43-A47 PolarHBondContact O-N 2.86Å; F44-A47 PolarHBondContact O-N 3.11Å; A47-E49 PolarHBondContact O-N 2.86Å; A47-D50 PolarHBondContact O-N 3.23Å; A47-F51 HydrophobicContact CB-CD2 4.32Å; A47-F51 HydrophobicContact CB-CE2 3.76Å; A47-F51 HydrophobicContact CB-CZ 4.45Å; A47-F51 WeakPolarHBondContact O-CD2 3.38Å; A47-F51 WeakPolarHBondContact O-CE2 3.47Å; A47-F51 VanDerWaalsContact O-CG 3.24Å; A47-F51 WeakPolarHBondContact O-CG 3.39Å; A47-F51 PolarHBondContact O-N 2.9Å; A47-L67 HydrophobicContact CB-CD2 4.15Å |
| 48 | M | 90.9 | Very high | 80.9 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 178.1 | -165.1 | 58.1 | 63.7 | 0 | 0 | 112.6 | F44 N45 Q46 K52 Y60 I63 E64 L67 | F44-M48 HydrophobicContact CE1-CE 4.31Å; F44-M48 HydrophobicContact CE2-CE 4Å; F44-M48 HydrophobicContact CZ-CE 3.72Å; F44-M48 WeakPolarHBondContact O-CB 3.42Å; F44-M48 PolarHBondContact O-N 2.69Å; N45-M48 WeakPolarHBondContact O-CB 3.32Å; N45-M48 PolarHBondContact O-N 3.42Å; Q46-M48 VanDerWaalsContact C-N 3.32Å; M48-K52 PolarHBondContact O-N 2.93Å; M48-K52 VanDerWaalsContact O-N 3.16Å; M48-Y60 HydrophobicContact CG-CD1 3.54Å; M48-Y60 HydrophobicContact CG-CE1 3.85Å; M48-Y60 HydrophobicContact SD-CD1 3.76Å; M48-I63 HydrophobicContact CE-CG2 4.25Å; M48-I63 HydrophobicContact SD-CB 3.95Å; M48-I63 HydrophobicContact SD-CG2 3.51Å; M48-I63 VanDerWaalsContact SD-CG2 3.51Å; M48-E64 HydrophobicContact CE-CB 3.59Å; M48-E64 HydrophobicContact CE-CG 4.19Å; M48-L67 HydrophobicContact CE-CD2 4.35Å |
| 49 | E | 91.7 | Very high | 83.2 | Confident | 111 Ų | 111 | 79.1 Ų | 79.1 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 174.6 | -71.5 | 179.5 | 177.3 | 0 | 0 | 112.1 | N45 Q46 A47 K52 T53 | N45-E49 WeakPolarHBondContact O-CG 3.22Å; N45-E49 PolarHBondContact O-N 3.17Å; Q46-E49 PolarHBondContact O-N 3.42Å; A47-E49 PolarHBondContact O-N 2.86Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 2.9Å |
| 50 | D | 92.7 | Very high | 85 | Confident | 60 Ų | 60 | 81.6 Ų | 81.6 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | -179.8 | -166.9 | 51.1 | 0 | 0 | 0 | 112.5 | Q46 A47 K52 T53 M54 | Q46-D50 WeakPolarHBondContact O-CB 3.28Å; Q46-D50 PolarHBondContact O-N 3.06Å; A47-D50 PolarHBondContact O-N 3.23Å; D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3.25Å; D50-T53 PolarHBondContact O-N 3.47Å; D50-T53 PolarHBondContact O-OG1 3.24Å; D50-M54 WeakPolarHBondContact O-CG 3.36Å; D50-M54 PolarHBondContact O-N 3.03Å |
| 51 | F | 92.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 0% | 0.004 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.7 | -33 | 172.7 | -63.8 | -45.8 | 0 | 0 | 0 | 112.1 | A47 M54 F55 I63 L67 V74 T77 I78 L81 | A47-F51 HydrophobicContact CB-CD2 4.32Å; A47-F51 HydrophobicContact CB-CE2 3.76Å; A47-F51 HydrophobicContact CB-CZ 4.45Å; A47-F51 WeakPolarHBondContact O-CD2 3.38Å; A47-F51 WeakPolarHBondContact O-CE2 3.47Å; A47-F51 VanDerWaalsContact O-CG 3.24Å; A47-F51 WeakPolarHBondContact O-CG 3.39Å; A47-F51 PolarHBondContact O-N 2.9Å; F51-M54 HydrophobicContact CD1-CE 3.79Å; F51-M54 HydrophobicContact CE1-CE 4.16Å; F51-M54 PolarHBondContact O-N 3.4Å; F51-F55 WeakPolarHBondContact O-CA 3.36Å; F51-F55 WeakPolarHBondContact O-CB 3.26Å; F51-F55 WeakPolarHBondContact O-CD2 3.38Å; F51-F55 PolarHBondContact O-N 3.45Å; F51-I63 HydrophobicContact CB-CD1 4.05Å; F51-I63 HydrophobicContact CB-CG1 4.41Å; F51-I63 HydrophobicContact CB-CG2 3.46Å; F51-I63 VanDerWaalsContact CB-CG2 3.46Å; F51-I63 HydrophobicContact CD2-CG2 3.55Å; F51-I63 HydrophobicContact CG-CG2 3.83Å; F51-L67 HydrophobicContact CE2-CD1 3.65Å; F51-L67 HydrophobicContact CE2-CD2 4Å; F51-L67 HydrophobicContact CE2-CG 4.34Å; F51-L67 HydrophobicContact CZ-CD1 4.14Å; F51-V74 HydrophobicContact CE1-CG1 3.96Å; F51-V74 HydrophobicContact CZ-CB 4.25Å; F51-V74 HydrophobicContact CZ-CG1 3.84Å; F51-V74 HydrophobicContact CZ-CG2 4.17Å; F51-T77 HydrophobicContact CD2-CG2 4.32Å; F51-T77 HydrophobicContact CE1-CG2 4.16Å; F51-T77 HydrophobicContact CE2-CG2 3.88Å; F51-T77 HydrophobicContact CZ-CG2 3.79Å; F51-I78 HydrophobicContact CD1-CG1 4.34Å; F51-I78 HydrophobicContact CE1-CD1 4.35Å; F51-I78 HydrophobicContact CE1-CG1 3.69Å; F51-L81 HydrophobicContact CB-CD1 4.33Å; F51-L81 HydrophobicContact CD1-CD1 4.29Å; F51-L81 HydrophobicContact CG-CD1 4.26Å |
| 52 | K | 93.3 | Very high | 88.6 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 176.6 | -169.4 | 63.6 | 164.1 | 163.3 | 0 | 112.2 | M48 E49 D50 F55 P56 M58 Y60 I63 | M48-K52 PolarHBondContact O-N 2.93Å; M48-K52 VanDerWaalsContact O-N 3.16Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 VanDerWaalsContact O-N 3.14Å; D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3.25Å; K52-F55 CarbonylContact O-C 3.59Å; K52-P56 PolarHBondContact NZ-O 3.47Å; K52-P56 WeakPolarHBondContact O-CA 3.21Å; K52-M58 PolarHBondContact NZ-O 3.1Å; K52-Y60 HydrophobicContact CB-CE1 3.73Å; K52-Y60 HydrophobicContact CD-CD2 4.33Å; K52-Y60 HydrophobicContact CD-CE1 4.27Å; K52-Y60 HydrophobicContact CD-CE2 3.94Å; K52-Y60 HydrophobicContact CG-CE1 3.92Å; K52-Y60 HydrophobicContact CG-CE2 3.95Å; K52-Y60 VanDerWaalsContact CG-CZ 3.5Å; K52-Y60 WeakPolarHBondContact CG-OH 3.44Å; K52-I63 HydrophobicContact CD-CD1 4.41Å |
| 53 | T | 92.9 | Very high | 90 | Very high | 102 Ų | 102 | 73.8 Ų | 73.8 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -70.3 | -39.1 | 174.6 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | E49 D50 | E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 2.9Å; D50-T53 PolarHBondContact O-N 3.47Å; D50-T53 PolarHBondContact O-OG1 3.24Å |
| 54 | M | 89.3 | Confident | 90.9 | Very high | 85 Ų | 85 | 69 Ų | 69 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75 | -31.2 | 177.1 | -68.9 | -167.9 | -69.8 | 0 | 0 | 113.5 | D50 F51 I78 | D50-M54 WeakPolarHBondContact O-CG 3.36Å; D50-M54 PolarHBondContact O-N 3.03Å; F51-M54 HydrophobicContact CD1-CE 3.79Å; F51-M54 HydrophobicContact CE1-CE 4.16Å; F51-M54 PolarHBondContact O-N 3.4Å; M54-I78 HydrophobicContact CE-CD1 4.2Å; M54-I78 HydrophobicContact CE-CG1 4.3Å |
| 55 | F | 92.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | trans | -128 | 74 | -179.2 | -54.1 | -80.5 | 0 | 0 | 0 | 111.1 | F51 K52 S57 M58 I78 L81 L82 | F51-F55 WeakPolarHBondContact O-CA 3.36Å; F51-F55 WeakPolarHBondContact O-CB 3.26Å; F51-F55 WeakPolarHBondContact O-CD2 3.38Å; F51-F55 PolarHBondContact O-N 3.45Å; K52-F55 CarbonylContact O-C 3.59Å; F55-S57 VanDerWaalsContact C-N 3.28Å; F55-S57 PolarHBondContact O-N 3.37Å; F55-M58 HydrophobicContact CB-CB 3.92Å; F55-M58 PolarHBondContact O-N 3Å; F55-M58 VanDerWaalsContact O-N 3.12Å; F55-I78 HydrophobicContact CZ-CG2 4.38Å; F55-L81 HydrophobicContact CD1-CB 4.37Å; F55-L81 HydrophobicContact CD2-CB 4.14Å; F55-L81 HydrophobicContact CD2-CD1 3.95Å; F55-L81 HydrophobicContact CE1-CB 4.18Å; F55-L81 HydrophobicContact CE2-CB 3.96Å; F55-L81 HydrophobicContact CE2-CD1 4.11Å; F55-L81 HydrophobicContact CG-CB 4.35Å; F55-L81 HydrophobicContact CZ-CB 3.99Å; F55-L82 HydrophobicContact CE1-CD2 3.6Å; F55-L82 HydrophobicContact CE1-CG 3.84Å; F55-L82 HydrophobicContact CZ-CD2 3.9Å; F55-L82 HydrophobicContact CZ-CG 3.79Å | ||
| 56 | P | 91.8 | Very high | 92.3 | Very high | 90 Ų | 90 | 63 Ų | 63 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -34 | -174.4 | -24.1 | 34.9 | 0 | 0 | 0 | 113.9 | K52 M58 | K52-P56 PolarHBondContact NZ-O 3.47Å; K52-P56 WeakPolarHBondContact O-CA 3.21Å; P56-M58 VanDerWaalsContact C-N 3.28Å; P56-M58 PolarHBondContact O-N 2.98Å |
| 57 | S | 90.3 | Very high | 92.5 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.8 | 179 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | F55 | F55-S57 VanDerWaalsContact C-N 3.28Å; F55-S57 PolarHBondContact O-N 3.37Å |
| 58 | M | 91.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -89.4 | 137.3 | -176.9 | -167.9 | 65.4 | 68.8 | 0 | 0 | 111.5 | K52 F55 P56 V62 I63 L81 M84 | K52-M58 PolarHBondContact NZ-O 3.1Å; F55-M58 HydrophobicContact CB-CB 3.92Å; F55-M58 PolarHBondContact O-N 3Å; F55-M58 VanDerWaalsContact O-N 3.12Å; P56-M58 VanDerWaalsContact C-N 3.28Å; P56-M58 PolarHBondContact O-N 2.98Å; M58-V62 HydrophobicContact CG-CB 4.05Å; M58-V62 HydrophobicContact CG-CG1 4.11Å; M58-V62 HydrophobicContact SD-CB 3.72Å; M58-V62 HydrophobicContact SD-CG1 3.44Å; M58-V62 WeakPolarHBondContact SD-CG1 3.39Å; M58-V62 HydrophobicContact SD-CG2 4.21Å; M58-I63 HydrophobicContact CB-CD1 4.2Å; M58-I63 HydrophobicContact CB-CG1 4.19Å; M58-I63 HydrophobicContact CG-CD1 4.26Å; M58-I63 HydrophobicContact CG-CG1 3.72Å; M58-L81 HydrophobicContact CE-CD2 4.36Å; M58-L81 HydrophobicContact CG-CD2 3.99Å; M58-M84 HydrophobicContact CE-CB 4.03Å |
| 59 | D | 95 | Very high | 92.7 | Very high | 103 Ų | 103 | 68.8 Ų | 68.8 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | trans | -75.1 | 147.5 | 179.8 | -68.2 | -35.5 | 0 | 0 | 0 | 112.7 | E61 V62 I63 | D59-E61 PolarHBondContact O-N 2.98Å; D59-V62 HydrophobicContact CB-CG2 4.26Å; D59-V62 PolarHBondContact O-N 3.16Å; D59-I63 WeakPolarHBondContact O-CG1 3.49Å; D59-I63 PolarHBondContact O-N 2.85Å | ||
| 60 | Y | 93.5 | Very high | 92.7 | Very high | 120 Ų | 120 | 65.2 Ų | 65.2 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.2 | -35.7 | 177.3 | -79.1 | -73.8 | 0 | 0 | 0 | 112.6 | M48 K52 E64 | M48-Y60 HydrophobicContact CG-CD1 3.54Å; M48-Y60 HydrophobicContact CG-CE1 3.85Å; M48-Y60 HydrophobicContact SD-CD1 3.76Å; K52-Y60 HydrophobicContact CB-CE1 3.73Å; K52-Y60 HydrophobicContact CD-CD2 4.33Å; K52-Y60 HydrophobicContact CD-CE1 4.27Å; K52-Y60 HydrophobicContact CD-CE2 3.94Å; K52-Y60 HydrophobicContact CG-CE1 3.92Å; K52-Y60 HydrophobicContact CG-CE2 3.95Å; K52-Y60 VanDerWaalsContact CG-CZ 3.5Å; K52-Y60 WeakPolarHBondContact CG-OH 3.44Å; Y60-E64 VanDerWaalsContact O-CB 3.27Å; Y60-E64 WeakPolarHBondContact O-CB 3.41Å; Y60-E64 PolarHBondContact O-N 3.25Å |
| 61 | E | 93.9 | Very high | 92.4 | Very high | 164 Ų | 164 | 70.7 Ų | 70.7 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 177.7 | -61.6 | -172.2 | 176.5 | 0 | 0 | 112.1 | D59 E64 C65 | D59-E61 PolarHBondContact O-N 2.98Å; E61-E64 PolarHBondContact O-N 2.93Å; E61-C65 VanDerWaalsContact O-CB 3.27Å; E61-C65 WeakPolarHBondContact O-CB 3.37Å; E61-C65 PolarHBondContact O-N 3.09Å |
| 62 | V | 94.6 | Very high | 91.9 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.7 | -46 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 110 | M58 D59 E64 C65 V66 M84 | M58-V62 HydrophobicContact CG-CB 4.05Å; M58-V62 HydrophobicContact CG-CG1 4.11Å; M58-V62 HydrophobicContact SD-CB 3.72Å; M58-V62 HydrophobicContact SD-CG1 3.44Å; M58-V62 WeakPolarHBondContact SD-CG1 3.39Å; M58-V62 HydrophobicContact SD-CG2 4.21Å; D59-V62 HydrophobicContact CB-CG2 4.26Å; D59-V62 PolarHBondContact O-N 3.16Å; V62-E64 VanDerWaalsContact C-N 3.29Å; V62-E64 PolarHBondContact O-N 3.05Å; V62-C65 PolarHBondContact O-N 3.5Å; V62-V66 HydrophobicContact CG1-CG2 4.47Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 3.38Å; V62-M84 HydrophobicContact CG1-CE 3.74Å; V62-M84 HydrophobicContact CG1-SD 4.3Å |
| 63 | I | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 174.9 | -64.1 | 169.3 | 0 | 0 | 0 | 110.3 | M48 F51 K52 M58 D59 V66 L67 L81 | M48-I63 HydrophobicContact CE-CG2 4.25Å; M48-I63 HydrophobicContact SD-CB 3.95Å; M48-I63 HydrophobicContact SD-CG2 3.51Å; M48-I63 VanDerWaalsContact SD-CG2 3.51Å; F51-I63 HydrophobicContact CB-CD1 4.05Å; F51-I63 HydrophobicContact CB-CG1 4.41Å; F51-I63 HydrophobicContact CB-CG2 3.46Å; F51-I63 VanDerWaalsContact CB-CG2 3.46Å; F51-I63 HydrophobicContact CD2-CG2 3.55Å; F51-I63 HydrophobicContact CG-CG2 3.83Å; K52-I63 HydrophobicContact CD-CD1 4.41Å; M58-I63 HydrophobicContact CB-CD1 4.2Å; M58-I63 HydrophobicContact CB-CG1 4.19Å; M58-I63 HydrophobicContact CG-CD1 4.26Å; M58-I63 HydrophobicContact CG-CG1 3.72Å; D59-I63 WeakPolarHBondContact O-CG1 3.49Å; D59-I63 PolarHBondContact O-N 2.85Å; I63-V66 PolarHBondContact O-N 3.27Å; I63-L67 WeakPolarHBondContact O-CB 3.28Å; I63-L67 PolarHBondContact O-N 3.46Å; I63-L81 HydrophobicContact CG1-CD1 4.09Å; I63-L81 HydrophobicContact CG1-CD2 4.18Å; I63-L81 HydrophobicContact CG2-CD1 4.29Å |
| 64 | E | 93.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.1 | -178.6 | 171.2 | -171.9 | 0 | 0 | 112.6 | F44 M48 Y60 E61 V62 V66 L67 R68 | F44-E64 HydrophobicContact CE2-CG 4.28Å; F44-E64 HydrophobicContact CZ-CG 3.9Å; M48-E64 HydrophobicContact CE-CB 3.59Å; M48-E64 HydrophobicContact CE-CG 4.19Å; Y60-E64 VanDerWaalsContact O-CB 3.27Å; Y60-E64 WeakPolarHBondContact O-CB 3.41Å; Y60-E64 PolarHBondContact O-N 3.25Å; E61-E64 PolarHBondContact O-N 2.93Å; V62-E64 VanDerWaalsContact C-N 3.29Å; V62-E64 PolarHBondContact O-N 3.05Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 2.91Å; E64-L67 PolarHBondContact O-N 3.4Å; E64-R68 HydrophobicContact CG-CG 4.21Å; E64-R68 VanDerWaalsContact O-CB 3.3Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 VanDerWaalsContact O-CG 3.25Å; E64-R68 WeakPolarHBondContact O-CG 3.02Å; E64-R68 PolarHBondContact O-N 3.32Å; E64-R68 IonicContact OE1-CZ 2.73Å; E64-R68 IonicContact OE1-NE 3.64Å; E64-R68 PolarHBondContact OE1-NE 3.44Å; E64-R68 IonicContact OE1-NH2 2.72Å; E64-R68 PolarHBondContact OE1-NH2 2.87Å |
| 65 | C | 93.9 | Very high | 91.7 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 52% | 0.52 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 178 | -172.3 | 0 | 0 | 0 | 0 | 111 | E61 V62 S69 | E61-C65 VanDerWaalsContact O-CB 3.27Å; E61-C65 WeakPolarHBondContact O-CB 3.37Å; E61-C65 PolarHBondContact O-N 3.09Å; V62-C65 PolarHBondContact O-N 3.5Å; C65-S69 VanDerWaalsContact O-CB 3.25Å; C65-S69 WeakPolarHBondContact O-CB 3.39Å; C65-S69 PolarHBondContact O-N 3.28Å; C65-S69 PolarHBondContact O-OG 3.38Å |
| 66 | V | 93.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 176.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | V62 I63 E64 R68 S69 N70 T77 Q80 L81 M84 | V62-V66 HydrophobicContact CG1-CG2 4.47Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 3.38Å; I63-V66 PolarHBondContact O-N 3.27Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 2.91Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.45Å; V66-S69 WeakPolarHBondContact O-CB 3.48Å; V66-S69 PolarHBondContact O-N 3.15Å; V66-S69 VanDerWaalsContact O-N 3.17Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.4Å; V66-N70 WeakPolarHBondContact O-CB 3.42Å; V66-N70 PolarHBondContact O-N 3.26Å; V66-N70 PolarHBondContact O-ND2 3.34Å; V66-T77 HydrophobicContact CB-CG2 4.35Å; V66-T77 HydrophobicContact CG1-CG2 3.66Å; V66-Q80 HydrophobicContact CG1-CB 3.9Å; V66-Q80 HydrophobicContact CG1-CG 3.97Å; V66-Q80 HydrophobicContact CG2-CG 4.3Å; V66-L81 HydrophobicContact CB-CD2 4.34Å; V66-L81 HydrophobicContact CG1-CG 4.29Å; V66-L81 HydrophobicContact CG2-CD2 4.06Å; V66-M84 HydrophobicContact CG2-SD 4.19Å |
| 67 | L | 92.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | -179 | -169.3 | 61.8 | 0 | 0 | 0 | 112 | F44 A47 M48 F51 I63 E64 N70 K71 G72 T77 | F44-L67 HydrophobicContact CD2-CD2 3.78Å; F44-L67 HydrophobicContact CE2-CD2 3.94Å; A47-L67 HydrophobicContact CB-CD2 4.15Å; M48-L67 HydrophobicContact CE-CD2 4.35Å; F51-L67 HydrophobicContact CE2-CD1 3.65Å; F51-L67 HydrophobicContact CE2-CD2 4Å; F51-L67 HydrophobicContact CE2-CG 4.34Å; F51-L67 HydrophobicContact CZ-CD1 4.14Å; I63-L67 WeakPolarHBondContact O-CB 3.28Å; I63-L67 PolarHBondContact O-N 3.46Å; E64-L67 PolarHBondContact O-N 3.4Å; L67-N70 CarbonylContact O-C 3.43Å; L67-N70 PolarHBondContact O-N 2.81Å; L67-K71 PolarHBondContact O-N 3.05Å; L67-G72 PolarHBondContact O-N 3.27Å; L67-T77 HydrophobicContact CB-CG2 4.29Å; L67-T77 HydrophobicContact CD1-CG2 4.05Å; L67-T77 WeakPolarHBondContact CD1-OG1 3.36Å |
| 68 | R | 91.6 | Very high | 92 | Very high | 170 Ų | 170 | 61.6 Ų | 61.6 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.6 | -42.3 | 172.3 | -73 | 176.8 | 176.5 | -113.4 | 5.2 | 111.5 | E64 V66 N70 K71 | E64-R68 HydrophobicContact CG-CG 4.21Å; E64-R68 VanDerWaalsContact O-CB 3.3Å; E64-R68 WeakPolarHBondContact O-CB 3.38Å; E64-R68 VanDerWaalsContact O-CG 3.25Å; E64-R68 WeakPolarHBondContact O-CG 3.02Å; E64-R68 PolarHBondContact O-N 3.32Å; E64-R68 IonicContact OE1-CZ 2.73Å; E64-R68 IonicContact OE1-NE 3.64Å; E64-R68 PolarHBondContact OE1-NE 3.44Å; E64-R68 IonicContact OE1-NH2 2.72Å; E64-R68 PolarHBondContact OE1-NH2 2.87Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.45Å; R68-N70 VanDerWaalsContact C-N 3.27Å; R68-N70 PolarHBondContact O-N 3.47Å; R68-K71 PolarHBondContact O-N 3.22Å |
| 69 | S | 93.7 | Very high | 92.1 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | C65 V66 K71 | C65-S69 VanDerWaalsContact O-CB 3.25Å; C65-S69 WeakPolarHBondContact O-CB 3.39Å; C65-S69 PolarHBondContact O-N 3.28Å; C65-S69 PolarHBondContact O-OG 3.38Å; V66-S69 WeakPolarHBondContact O-CB 3.48Å; V66-S69 PolarHBondContact O-N 3.15Å; V66-S69 VanDerWaalsContact O-N 3.17Å; S69-K71 VanDerWaalsContact C-N 3.32Å; S69-K71 WeakPolarHBondContact O-CD 3.33Å; S69-K71 VanDerWaalsContact O-CE 3.27Å; S69-K71 WeakPolarHBondContact O-CE 3.25Å; S69-K71 PolarHBondContact O-NZ 3.12Å |
| 70 | N | 89.7 | Confident | 92 | Very high | 35 Ų | 35 | 64.4 Ų | 64.4 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 11.5 | 176.4 | -70.5 | -66 | 0 | 0 | 0 | 113.6 | V66 L67 R68 G72 A73 A76 T77 Q80 | V66-N70 WeakPolarHBondContact CG1-ND2 3.4Å; V66-N70 WeakPolarHBondContact O-CB 3.42Å; V66-N70 PolarHBondContact O-N 3.26Å; V66-N70 PolarHBondContact O-ND2 3.34Å; L67-N70 CarbonylContact O-C 3.43Å; L67-N70 PolarHBondContact O-N 2.81Å; R68-N70 VanDerWaalsContact C-N 3.27Å; R68-N70 PolarHBondContact O-N 3.47Å; N70-G72 PolarHBondContact O-N 3.04Å; N70-G72 VanDerWaalsContact O-N 3.12Å; N70-A73 VanDerWaalsContact O-CB 3.27Å; N70-A73 WeakPolarHBondContact O-CB 3.37Å; N70-A73 PolarHBondContact O-N 3.01Å; N70-A76 HydrophobicContact CB-CB 4.3Å; N70-A76 WeakPolarHBondContact OD1-CB 3.27Å; N70-T77 WeakPolarHBondContact CB-OG1 3.42Å; N70-Q80 PolarHBondContact ND2-OE1 2.87Å |
| 71 | K | 86.6 | Confident | 92.1 | Very high | 175 Ų | 175 | 58.7 Ų | 58.7 | 76% | 0.761 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.4 | 176.4 | -55.6 | 91 | -171.9 | 161.9 | 0 | 112.7 | L67 R68 S69 A73 | L67-K71 PolarHBondContact O-N 3.05Å; R68-K71 PolarHBondContact O-N 3.22Å; S69-K71 VanDerWaalsContact C-N 3.32Å; S69-K71 WeakPolarHBondContact O-CD 3.33Å; S69-K71 VanDerWaalsContact O-CE 3.27Å; S69-K71 WeakPolarHBondContact O-CE 3.25Å; S69-K71 PolarHBondContact O-NZ 3.12Å; K71-A73 VanDerWaalsContact C-N 3.35Å |
| 72 | G | 83.4 | Confident | 92 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 15.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L67 N70 V74 | L67-G72 PolarHBondContact O-N 3.27Å; N70-G72 PolarHBondContact O-N 3.04Å; N70-G72 VanDerWaalsContact O-N 3.12Å; G72-V74 PolarHBondContact O-N 2.91Å |
| 73 | A | 89.1 | Confident | 91.9 | Very high | 28 Ų | 28 | 58 Ų | 58 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -76.5 | 109.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V39 N70 K71 A76 T77 | V39-A73 HydrophobicContact CG1-CB 4.37Å; N70-A73 VanDerWaalsContact O-CB 3.27Å; N70-A73 WeakPolarHBondContact O-CB 3.37Å; N70-A73 PolarHBondContact O-N 3.01Å; K71-A73 VanDerWaalsContact C-N 3.35Å; A73-A76 HydrophobicContact CB-CB 4.33Å; A73-T77 WeakPolarHBondContact O-CB 3.22Å; A73-T77 PolarHBondContact O-N 2.89Å; A73-T77 VanDerWaalsContact O-N 3.16Å; A73-T77 PolarHBondContact O-OG1 3.32Å | ||
| 74 | V | 90.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -48.7 | -176.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | R40 L42 F51 G72 A76 T77 I78 | R40-V74 WeakPolarHBondContact O-CG2 3.4Å; L42-V74 HydrophobicContact CB-CG2 4.42Å; F51-V74 HydrophobicContact CE1-CG1 3.96Å; F51-V74 HydrophobicContact CZ-CB 4.25Å; F51-V74 HydrophobicContact CZ-CG1 3.84Å; F51-V74 HydrophobicContact CZ-CG2 4.17Å; G72-V74 PolarHBondContact O-N 2.91Å; V74-A76 PolarHBondContact O-N 2.7Å; V74-T77 CarbonylContact O-C 3.54Å; V74-T77 WeakPolarHBondContact O-CA 3.46Å; V74-T77 WeakPolarHBondContact O-CB 3.45Å; V74-T77 PolarHBondContact O-N 3.19Å; V74-I78 HydrophobicContact CG1-CD1 3.73Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.44Å; V74-I78 PolarHBondContact O-N 3.42Å |
| 75 | D | 91.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 60.8 Ų | 60.8 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.8 | -48 | -175.9 | -53.2 | -22.7 | 0 | 0 | 0 | 112.1 | T77 I78 D79 | D75-T77 VanDerWaalsContact C-N 3.29Å; D75-T77 PolarHBondContact O-N 3.46Å; D75-I78 PolarHBondContact O-N 3.44Å; D75-D79 PolarHBondContact O-N 2.86Å |
| 76 | A | 93.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.9 | -31 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N70 A73 V74 Q80 | N70-A76 HydrophobicContact CB-CB 4.3Å; N70-A76 WeakPolarHBondContact OD1-CB 3.27Å; A73-A76 HydrophobicContact CB-CB 4.33Å; V74-A76 PolarHBondContact O-N 2.7Å; A76-Q80 WeakPolarHBondContact O-CB 3.27Å; A76-Q80 PolarHBondContact O-N 3.17Å; A76-Q80 VanDerWaalsContact O-N 3.09Å |
| 77 | T | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | F51 V66 L67 N70 A73 V74 D75 Q80 L81 | F51-T77 HydrophobicContact CD2-CG2 4.32Å; F51-T77 HydrophobicContact CE1-CG2 4.16Å; F51-T77 HydrophobicContact CE2-CG2 3.88Å; F51-T77 HydrophobicContact CZ-CG2 3.79Å; V66-T77 HydrophobicContact CB-CG2 4.35Å; V66-T77 HydrophobicContact CG1-CG2 3.66Å; L67-T77 HydrophobicContact CB-CG2 4.29Å; L67-T77 HydrophobicContact CD1-CG2 4.05Å; L67-T77 WeakPolarHBondContact CD1-OG1 3.36Å; N70-T77 WeakPolarHBondContact CB-OG1 3.42Å; A73-T77 WeakPolarHBondContact O-CB 3.22Å; A73-T77 PolarHBondContact O-N 2.89Å; A73-T77 VanDerWaalsContact O-N 3.16Å; A73-T77 PolarHBondContact O-OG1 3.32Å; V74-T77 CarbonylContact O-C 3.54Å; V74-T77 WeakPolarHBondContact O-CA 3.46Å; V74-T77 WeakPolarHBondContact O-CB 3.45Å; V74-T77 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact C-N 3.29Å; D75-T77 PolarHBondContact O-N 3.46Å; T77-Q80 PolarHBondContact O-N 2.85Å; T77-L81 HydrophobicContact CG2-CD1 3.79Å; T77-L81 HydrophobicContact CG2-CG 4.3Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.75Å |
| 78 | I | 93.6 | Very high | 88.5 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -50.7 | 174.9 | -67 | 170.7 | 0 | 0 | 0 | 109.9 | F51 M54 F55 V74 D75 Q80 L81 L82 | F51-I78 HydrophobicContact CD1-CG1 4.34Å; F51-I78 HydrophobicContact CE1-CD1 4.35Å; F51-I78 HydrophobicContact CE1-CG1 3.69Å; M54-I78 HydrophobicContact CE-CD1 4.2Å; M54-I78 HydrophobicContact CE-CG1 4.3Å; F55-I78 HydrophobicContact CZ-CG2 4.38Å; V74-I78 HydrophobicContact CG1-CD1 3.73Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.44Å; V74-I78 PolarHBondContact O-N 3.42Å; D75-I78 PolarHBondContact O-N 3.44Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 2.89Å; I78-L81 PolarHBondContact O-N 3Å; I78-L82 HydrophobicContact CG2-CD1 3.63Å; I78-L82 HydrophobicContact CG2-CG 4.23Å; I78-L82 WeakPolarHBondContact O-CB 3.27Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.16Å |
| 79 | D | 94.3 | Very high | 86.9 | Confident | 109 Ų | 109 | 69.4 Ų | 69.4 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.2 | -42.2 | -179.3 | -68.5 | -18.5 | 0 | 0 | 0 | 111.6 | D75 Q83 | D75-D79 PolarHBondContact O-N 2.86Å; D79-Q83 WeakPolarHBondContact O-CB 3.37Å; D79-Q83 PolarHBondContact O-N 3.36Å |
| 80 | Q | 93.8 | Very high | 84.7 | Confident | 78 Ų | 78 | 72 Ų | 72 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 179.3 | -174.7 | 167.8 | 8.3 | 0 | 0 | 112.9 | V66 N70 A76 T77 I78 Q83 M84 | V66-Q80 HydrophobicContact CG1-CB 3.9Å; V66-Q80 HydrophobicContact CG1-CG 3.97Å; V66-Q80 HydrophobicContact CG2-CG 4.3Å; N70-Q80 PolarHBondContact ND2-OE1 2.87Å; A76-Q80 WeakPolarHBondContact O-CB 3.27Å; A76-Q80 PolarHBondContact O-N 3.17Å; A76-Q80 VanDerWaalsContact O-N 3.09Å; T77-Q80 PolarHBondContact O-N 2.85Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 2.89Å; Q80-Q83 PolarHBondContact O-N 3.36Å; Q80-M84 WeakPolarHBondContact O-CG 3.43Å; Q80-M84 PolarHBondContact O-N 3.06Å |
| 81 | L | 94.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 176.1 | -71.3 | 174.9 | 0 | 0 | 0 | 111.8 | F51 F55 M58 I63 V66 T77 I78 M84 S85 | F51-L81 HydrophobicContact CB-CD1 4.33Å; F51-L81 HydrophobicContact CD1-CD1 4.29Å; F51-L81 HydrophobicContact CG-CD1 4.26Å; F55-L81 HydrophobicContact CD1-CB 4.37Å; F55-L81 HydrophobicContact CD2-CB 4.14Å; F55-L81 HydrophobicContact CD2-CD1 3.95Å; F55-L81 HydrophobicContact CE1-CB 4.18Å; F55-L81 HydrophobicContact CE2-CB 3.96Å; F55-L81 HydrophobicContact CE2-CD1 4.11Å; F55-L81 HydrophobicContact CG-CB 4.35Å; F55-L81 HydrophobicContact CZ-CB 3.99Å; M58-L81 HydrophobicContact CE-CD2 4.36Å; M58-L81 HydrophobicContact CG-CD2 3.99Å; I63-L81 HydrophobicContact CG1-CD1 4.09Å; I63-L81 HydrophobicContact CG1-CD2 4.18Å; I63-L81 HydrophobicContact CG2-CD1 4.29Å; V66-L81 HydrophobicContact CB-CD2 4.34Å; V66-L81 HydrophobicContact CG1-CG 4.29Å; V66-L81 HydrophobicContact CG2-CD2 4.06Å; T77-L81 HydrophobicContact CG2-CD1 3.79Å; T77-L81 HydrophobicContact CG2-CG 4.3Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 WeakPolarHBondContact O-CG 3.49Å; T77-L81 PolarHBondContact O-N 2.75Å; I78-L81 PolarHBondContact O-N 3Å; L81-M84 PolarHBondContact O-N 3.18Å; L81-S85 WeakPolarHBondContact O-CB 3.34Å; L81-S85 PolarHBondContact O-N 2.78Å |
| 82 | L | 93.4 | Very high | 80.9 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 41% | 0.414 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 171.2 | -74.4 | 167 | 0 | 0 | 0 | 111 | F55 I78 M84 S85 I86 | F55-L82 HydrophobicContact CE1-CD2 3.6Å; F55-L82 HydrophobicContact CE1-CG 3.84Å; F55-L82 HydrophobicContact CZ-CD2 3.9Å; F55-L82 HydrophobicContact CZ-CG 3.79Å; I78-L82 HydrophobicContact CG2-CD1 3.63Å; I78-L82 HydrophobicContact CG2-CG 4.23Å; I78-L82 WeakPolarHBondContact O-CB 3.27Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.16Å; L82-M84 PolarHBondContact O-N 3.39Å; L82-S85 PolarHBondContact O-N 2.93Å; L82-I86 WeakPolarHBondContact O-CD1 3.27Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.15Å; L82-I86 PolarHBondContact O-N 2.89Å; L82-I86 VanDerWaalsContact O-N 3.1Å |
| 83 | Q | 91.5 | Very high | 79.4 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 178.1 | -175 | 63.5 | 57.4 | 0 | 0 | 111.7 | D79 Q80 S85 I86 E87 | D79-Q83 WeakPolarHBondContact O-CB 3.37Å; D79-Q83 PolarHBondContact O-N 3.36Å; Q80-Q83 PolarHBondContact O-N 3.36Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 3.12Å; Q83-I86 PolarHBondContact O-N 3.18Å; Q83-E87 WeakPolarHBondContact O-CB 2.88Å; Q83-E87 PolarHBondContact O-N 3.18Å |
| 84 | M | 86.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 84.1 Ų | 84.1 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 178.2 | -71.8 | -177.4 | 66.9 | 0 | 0 | 112.6 | M58 V62 V66 Q80 L81 L82 I86 E87 G88 | M58-M84 HydrophobicContact CE-CB 4.03Å; V62-M84 HydrophobicContact CG1-CE 3.74Å; V62-M84 HydrophobicContact CG1-SD 4.3Å; V66-M84 HydrophobicContact CG2-SD 4.19Å; Q80-M84 WeakPolarHBondContact O-CG 3.43Å; Q80-M84 PolarHBondContact O-N 3.06Å; L81-M84 PolarHBondContact O-N 3.18Å; L82-M84 PolarHBondContact O-N 3.39Å; M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3.5Å; M84-E87 PolarHBondContact O-N 3.4Å; M84-G88 PolarHBondContact O-N 2.91Å |
| 85 | S | 86.7 | Confident | 75.7 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -31.6 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L81 L82 Q83 | L81-S85 WeakPolarHBondContact O-CB 3.34Å; L81-S85 PolarHBondContact O-N 2.78Å; L82-S85 PolarHBondContact O-N 2.93Å; Q83-S85 VanDerWaalsContact C-N 3.33Å; Q83-S85 PolarHBondContact O-N 3.12Å |
| 86 | I | 84.3 | Confident | 74 | Confident | 107 Ų | 107 | 91.2 Ų | 91.2 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.4 | -41 | 176.2 | -61.6 | 159.1 | 0 | 0 | 0 | 109.7 | L82 Q83 M84 G88 H89 | L82-I86 WeakPolarHBondContact O-CD1 3.27Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.15Å; L82-I86 PolarHBondContact O-N 2.89Å; L82-I86 VanDerWaalsContact O-N 3.1Å; Q83-I86 PolarHBondContact O-N 3.18Å; M84-I86 VanDerWaalsContact C-N 3.28Å; M84-I86 PolarHBondContact O-N 3.5Å; I86-G88 VanDerWaalsContact C-N 3.31Å; I86-G88 PolarHBondContact O-N 2.72Å; I86-H89 PolarHBondContact O-N 2.98Å; I86-H89 VanDerWaalsContact O-N 3.17Å |
| 87 | E | 75 | Confident | 71.6 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -24.5 | 179.3 | -162.1 | 175.6 | 174 | 0 | 0 | 113 | Q83 M84 H89 H90 | Q83-E87 WeakPolarHBondContact O-CB 2.88Å; Q83-E87 PolarHBondContact O-N 3.18Å; M84-E87 PolarHBondContact O-N 3.4Å; E87-H89 VanDerWaalsContact C-N 3.26Å; E87-H89 PolarHBondContact O-N 3.43Å; E87-H90 VanDerWaalsContact C-CE1 3.46Å; E87-H90 VanDerWaalsContact C-ND1 3.35Å; E87-H90 WeakPolarHBondContact CA-CE1 3.5Å; E87-H90 WeakPolarHBondContact CG-CE1 3.24Å; E87-H90 PolarHBondContact O-CE1 3.38Å; E87-H90 PolarHBondContact O-ND1 2.9Å |
| 88 | G | 63.2 | Low | 69.6 | Low | 59 Ų | 59 | 103 Ų | 103 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -14.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M84 I86 | M84-G88 PolarHBondContact O-N 2.91Å; I86-G88 VanDerWaalsContact C-N 3.31Å; I86-G88 PolarHBondContact O-N 2.72Å |
| 89 | H | 56.3 | Low | 67.6 | Low | 164 Ų | 164 | 107.9 Ų | 107.9 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -109.6 | -4.6 | -169.6 | -142.3 | -56.5 | 0 | 0 | 0 | 114.1 | I86 E87 | I86-H89 PolarHBondContact O-N 2.98Å; I86-H89 VanDerWaalsContact O-N 3.17Å; E87-H89 VanDerWaalsContact C-N 3.26Å; E87-H89 PolarHBondContact O-N 3.43Å |
| 90 | H | 49.2 | Very low | 65.5 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 53% | 0.528 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -108.9 | 8.6 | -176.9 | 71.6 | -10.2 | 0 | 0 | 0 | 114.3 | E87 D92 | E87-H90 VanDerWaalsContact C-CE1 3.46Å; E87-H90 VanDerWaalsContact C-ND1 3.35Å; E87-H90 WeakPolarHBondContact CA-CE1 3.5Å; E87-H90 WeakPolarHBondContact CG-CE1 3.24Å; E87-H90 PolarHBondContact O-CE1 3.38Å; E87-H90 PolarHBondContact O-ND1 2.9Å; H90-D92 VanDerWaalsContact C-N 3.25Å; H90-D92 PolarHBondContact O-N 3.02Å |
| 91 | S | 47.2 | Very low | 63.2 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 3.3 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 115 | ||
| 92 | D | 47.6 | Very low | 61 | Low | 154 Ų | 154 | 113.9 Ų | 113.9 | 82% | 0.824 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 10.6 | -177.3 | -66 | -23 | 0 | 0 | 0 | 114.1 | H90 | H90-D92 VanDerWaalsContact C-N 3.25Å; H90-D92 PolarHBondContact O-N 3.02Å |
| 93 | D | 51.9 | Low | 59 | Low | 150 Ų | 150 | 114.3 Ų | 114.3 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -134.9 | 37.2 | -176.3 | -159.1 | 27.3 | 0 | 0 | 0 | 115 | ||
| 94 | T | 53.7 | Low | 57.2 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | trans | -140.5 | 65.7 | 166.7 | 86 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 95 | S | 49.2 | Very low | 55.6 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -163.5 | 90.6 | 156.2 | -113.5 | 0 | 0 | 0 | 0 | 112.3 | S97 | S95-S97 PolarHBondContact O-N 3.16Š| ||
| 96 | D | 55.5 | Low | 53.6 | Low | 156 Ų | 156 | 123 Ų | 123 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | 27.4 | 88.9 | 125.1 | -167.5 | 28.7 | 0 | 0 | 0 | 116.4 | |||||
| 97 | S | 43.3 | Very low | 51.9 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -165.5 | 101.3 | 150.4 | -74.7 | 0 | 0 | 0 | 0 | 109.8 | S95 D99 | S95-S97 PolarHBondContact O-N 3.16Å; S97-D99 PolarHBondContact O-N 3.46Å; S97-D99 VanDerWaalsContact O-N 3.13Å | ||
| 98 | D | 51 | Low | 50.4 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -63 | 91 | 163.7 | -168.5 | -8.1 | 0 | 0 | 0 | 109.5 | ||||
| 99 | D | 52.3 | Low | 49.3 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -165.2 | 132.6 | 155.9 | -152.1 | -10.5 | 0 | 0 | 0 | 112.7 | S97 | S97-D99 PolarHBondContact O-N 3.46Å; S97-D99 VanDerWaalsContact O-N 3.13Å | ||
| 100 | S | 48.7 | Very low | 48.3 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 78.5 | 64.2 | 168 | -59 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 101 | I | 46 | Very low | 48.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -73.5 | 127.8 | 149.1 | -57.3 | 177.2 | 0 | 0 | 0 | 108.1 | A103 | I101-A103 PolarHBondContact O-N 3.14Š| ||
| 102 | P | 48.6 | Very low | 48.2 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | trans | -62 | 129.9 | 168.4 | 24.6 | -30.5 | 0 | 0 | 0 | 109.3 | E104 | P102-E104 PolarHBondContact O-N 2.81Š| ||
| 103 | A | 51.7 | Low | 48.2 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 6.1 | -167 | 0 | 0 | 0 | 0 | 0 | 117.6 | I101 | I101-A103 PolarHBondContact O-N 3.14Š|
| 104 | E | 53.6 | Low | 47.5 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -22.1 | -177.4 | -116.1 | 177.2 | 175.8 | 0 | 0 | 114.3 | P102 | P102-E104 PolarHBondContact O-N 2.81Š|
| 105 | I | 52.4 | Low | 47.3 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -96.1 | -14.6 | -173.9 | -50.1 | 173.5 | 0 | 0 | 0 | 112 | E107 | I105-E107 VanDerWaalsContact C-N 3.31Å; I105-E107 PolarHBondContact O-N 2.88Å |
| 106 | L | 43.9 | Very low | 47.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 59% | 0.592 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -4.4 | -177.4 | -108.1 | 156.8 | 0 | 0 | 0 | 114.6 | ||
| 107 | E | 50.3 | Low | 47.2 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -10.4 | 177.3 | -119.7 | -177.5 | 122.4 | 0 | 0 | 113.6 | I105 | I105-E107 VanDerWaalsContact C-N 3.31Å; I105-E107 PolarHBondContact O-N 2.88Å |
| 108 | Q | 43.8 | Very low | 47.9 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -107.2 | 3.4 | -170.6 | -138.2 | 172.5 | -6.5 | 0 | 0 | 115.2 | ||
| 109 | T | 38.8 | Very low | 48.5 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -115.2 | 32 | 176.9 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | E111 | T109-E111 PolarHBondContact O-N 2.98Š| ||
| 110 | Q | 36.4 | Very low | 48.8 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -82.7 | 95.2 | 157 | -76.8 | -169.2 | 8.7 | 0 | 0 | 109.2 | P112 | Q110-P112 WeakPolarHBondContact O-CD 3.25Š| ||
| 111 | E | 50.7 | Low | 49.3 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -47.3 | 137.9 | 163.2 | -61.2 | -127.9 | 130.4 | 0 | 0 | 111.4 | T109 | T109-E111 PolarHBondContact O-N 2.98Š| ||
| 112 | P | 43.3 | Very low | 49.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -114.9 | 111.1 | 135.3 | 32.4 | -21.5 | 0 | 0 | 0 | 108.3 | Q110 S114 | Q110-P112 WeakPolarHBondContact O-CD 3.25Å; P112-S114 PolarHBondContact O-N 3.29Å | ||
| 113 | D | 47.8 | Very low | 49.9 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -13.3 | 100.9 | 138.3 | -175.7 | 20.3 | 0 | 0 | 0 | 113.9 | ||||
| 114 | S | 37.8 | Very low | 50.4 | Low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -177.2 | 126.5 | 149.2 | -99.6 | 0 | 0 | 0 | 0 | 112.2 | P112 D116 | P112-S114 PolarHBondContact O-N 3.29Å; S114-D116 PolarHBondContact O-N 2.87Å | ||
| 115 | S | 48.8 | Very low | 50.5 | Low | 127 Ų | 127 | 139 Ų | 139 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -26.9 | 113.2 | 167.5 | -62.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 116 | D | 47.5 | Very low | 50.5 | Low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -154.3 | 99.6 | 136.4 | -150.5 | 28.1 | 0 | 0 | 0 | 109.4 | S114 E118 | S114-D116 PolarHBondContact O-N 2.87Å; D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 3.49Å | ||
| 117 | E | 55.1 | Low | 50.8 | Low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -71.6 | 86.5 | 169.5 | 178.1 | 81.7 | -165.4 | 0 | 0 | 107.1 | P119 | E117-P119 WeakPolarHBondContact O-CD 3.3Š| ||
| 118 | E | 58.8 | Low | 50.9 | Low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 113.5 | 169.5 | -163.8 | 171.7 | -172.7 | 0 | 0 | 107.9 | D116 | D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 3.49Å | ||
| 119 | P | 63.6 | Low | 51.3 | Low | 90 Ų | 90 | 137 Ų | 137 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 148.7 | 177.6 | 27.2 | -33.6 | 0 | 0 | 0 | 109.1 | E117 | E117-P119 WeakPolarHBondContact O-CD 3.3Š|
| 120 | P | 57.4 | Low | 52 | Low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 143.8 | 178.9 | 23.4 | -33.7 | 0 | 0 | 0 | 109.8 | V122 | P120-V122 PolarHBondContact O-N 2.87Š|
| 121 | P | 60.3 | Low | 52.8 | Low | 115 Ų | 115 | 141.6 Ų | 141.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 118.3 | -175.5 | 20.1 | -31.8 | 0 | 0 | 0 | 109.6 | Y123 | P121-Y123 PolarHBondContact O-N 3.39Š|
| 122 | V | 51.7 | Low | 52.5 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -62.5 | 104.8 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | P120 S124 | P120-V122 PolarHBondContact O-N 2.87Å; V122-S124 VanDerWaalsContact C-N 3.27Å; V122-S124 PolarHBondContact O-N 2.84Å | ||
| 123 | Y | 54.1 | Low | 52.7 | Low | 211 Ų | 211 | 138 Ų | 138 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -60.1 | 93.7 | 171.4 | -112.7 | -91.6 | 0 | 0 | 0 | 108.5 | P121 P125 | P121-Y123 PolarHBondContact O-N 3.39Å; Y123-P125 WeakPolarHBondContact O-CD 3.35Å | ||
| 124 | S | 63.1 | Low | 52.6 | Low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -79.7 | 115.3 | 163.4 | -67.8 | 0 | 0 | 0 | 0 | 106.6 | V122 | V122-S124 VanDerWaalsContact C-N 3.27Å; V122-S124 PolarHBondContact O-N 2.84Å | ||
| 125 | P | 54.7 | Low | 52.6 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.7 | 179 | 21.4 | -30.4 | 0 | 0 | 0 | 109.7 | Y123 K127 | Y123-P125 WeakPolarHBondContact O-CD 3.35Å; P125-K127 PolarHBondContact O-N 2.94Å |
| 126 | P | 53.5 | Low | 51.9 | Low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 118.1 | -177.5 | 16.2 | -21 | 0 | 0 | 0 | 109.2 | S128 | P126-S128 PolarHBondContact O-N 2.76Å; P126-S128 VanDerWaalsContact O-N 3.11Å |
| 127 | K | 50 | Low | 51.5 | Low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 117.5 | 169.3 | 11.7 | 177.1 | 178.8 | 174.8 | 0 | 107.6 | P125 N129 | P125-K127 PolarHBondContact O-N 2.94Å; K127-N129 PolarHBondContact O-N 2.84Å |
| 128 | S | 53.1 | Low | 50.3 | Low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -69 | 59.2 | -174.2 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | P126 | P126-S128 PolarHBondContact O-N 2.76Å; P126-S128 VanDerWaalsContact O-N 3.11Å |
| 129 | N | 52 | Low | 49.1 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | trans | -150.6 | 52.7 | 178.6 | -148.1 | 15.2 | 0 | 0 | 0 | 113.7 | K127 S132 | K127-N129 PolarHBondContact O-N 2.84Å; N129-S132 PolarHBondContact OD1-OG 3.01Å | ||
| 130 | M | 53.2 | Low | 47.7 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -132.1 | 17.9 | 172.9 | -96.6 | -96.1 | 69.4 | 0 | 0 | 113.9 | ||
| 131 | Y | 52 | Low | 46.6 | Very low | 224 Ų | 224 | 149.9 Ų | 149.9 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | -141.8 | 61.1 | 164.2 | -93.5 | -85.1 | 0 | 0 | 0 | 110 | ||||
| 132 | S | 45.3 | Very low | 45.2 | Very low | 99 Ų | 99 | 151 Ų | 151 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -112.1 | 17.6 | 165.1 | -56 | 0 | 0 | 0 | 0 | 111.1 | N129 | N129-S132 PolarHBondContact OD1-OG 3.01Š| ||
| 133 | D | 48.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -114.3 | 76.6 | -178.7 | -174.7 | 35.3 | 0 | 0 | 0 | 108.8 | ||||
| 134 | W | 44.8 | Very low | 43.8 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -171.2 | 100.3 | 144 | -85.8 | 104.3 | 0 | 0 | 0 | 107 | ||
| 135 | K | 37.6 | Very low | 43 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 93.3 | 95.7 | 171.7 | -47.8 | -54.6 | 178.5 | -175.8 | 0 | 116.7 | ||
| 136 | H | 34 | Very low | 41.8 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | -167.2 | 133.1 | 122.8 | -106.6 | -77.3 | 0 | 0 | 0 | 110.2 | |||||
| 137 | P | 39.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 130.5 | 163.7 | 32.1 | -26.2 | 0 | 0 | 0 | 109.9 | ||||
| 138 | E | 29.9 | Very low | 40.3 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 56.4 | 108.5 | 141 | -71.9 | -87.2 | 155 | 0 | 0 | 118.9 | ||||
| 139 | T | 32.3 | Very low | 39.5 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 169.7 | 148.6 | 100 | 42 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 140 | H | 35.7 | Very low | 39 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -67 | 152.2 | -165.9 | -52.6 | -96 | 0 | 0 | 0 | 117.1 | ||||
| 141 | K | 33 | Very low | 38.7 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 176.8 | 120.5 | 117 | -94.7 | 170.8 | -173.6 | -174.1 | 0 | 114.9 | |||||
| 142 | V | 31.3 | Very low | 38.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | 52.6 | 118 | 128.5 | -173.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 143 | S | 31.7 | Very low | 38.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -74.9 | -176.4 | 169.2 | -41.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 144 | P | 44 | Very low | 38.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -146.1 | -146.1 | 10.2 | 47.9 | -23.7 | 0 | 0 | 0 | 114.2 | ||||
| 145 | P | 47.8 | Very low | 38.7 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | -126.1 | 151.2 | -122.6 | 34.9 | -11.4 | 0 | 0 | 0 | 117 | |||||
| 146 | Q | 27.8 | Very low | 39.5 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | trans | -160.1 | 138.7 | 163.6 | -56.6 | -81.7 | -86.4 | 0 | 0 | 105.2 | ||||
| 147 | S | 33.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | cis | -168.4 | 148.9 | 12.7 | 40.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 148 | E | 39.7 | Very low | 41.2 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | -51.7 | 134.2 | 171.4 | -68.2 | 162 | 127 | 0 | 0 | 112.7 | ||||
| 149 | T | 34.9 | Very low | 42.5 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -151.4 | 113.5 | 142.3 | -63.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 150 | H | 42.5 | Very low | 43.9 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -58.7 | 125.9 | 176 | 178.5 | -93.1 | 0 | 0 | 0 | 111.7 | ||||
| 151 | V | 46.5 | Very low | 45.2 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 57% | 0.57 | 70% | 0.702 | S | S | * | * | trans | -137.7 | 129.9 | 169.8 | -158.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 152 | P | 40.8 | Very low | 46.8 | Very low | 89 Ų | 89 | 132 Ų | 132 | 58% | 0.578 | 70% | 0.7 | S | S | * | * | trans | -65.8 | 145.9 | -176.5 | 26.2 | -33.3 | 0 | 0 | 0 | 112 | D154 | P152-D154 PolarHBondContact O-N 3.28Š| ||
| 153 | A | 49.4 | Very low | 49 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116 | D155 | A153-D155 PolarHBondContact O-N 2.79Š|
| 154 | D | 48.8 | Very low | 51.2 | Low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75 | -22.3 | -177.4 | -78 | -27.6 | 0 | 0 | 0 | 114.2 | P152 | P152-D154 PolarHBondContact O-N 3.28Å |
| 155 | D | 51.8 | Low | 52.3 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 49% | 0.492 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -84.2 | -9.7 | -178.1 | -99.3 | -6.9 | 0 | 0 | 0 | 113.9 | A153 R159 | A153-D155 PolarHBondContact O-N 2.79Å; D155-R159 PolarHBondContact O-N 3.05Å |
| 156 | Q | 54.7 | Low | 53.6 | Low | 135 Ų | 135 | 132.8 Ų | 132.8 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.3 | -37.7 | -177.7 | -130.4 | 166.8 | 62.8 | 0 | 0 | 111.4 | R159 I160 | Q156-R159 PolarHBondContact O-N 3.42Å; Q156-I160 WeakPolarHBondContact O-CD1 3.37Å; Q156-I160 VanDerWaalsContact O-CG1 3.28Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.31Å |
| 157 | Q | 54.2 | Low | 55.7 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.3 | -41.6 | 176.5 | -72.5 | -179.2 | 4.1 | 0 | 0 | 111.9 | R159 I160 Y161 | Q157-R159 VanDerWaalsContact C-N 3.29Å; Q157-R159 PolarHBondContact O-N 3.45Å; Q157-I160 PolarHBondContact O-N 2.93Å; Q157-I160 VanDerWaalsContact O-N 3.15Å; Q157-Y161 HydrophobicContact CB-CE2 4.49Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.49Å; Q157-Y161 PolarHBondContact O-N 3.01Å |
| 158 | V | 54 | Low | 57.4 | Low | 82 Ų | 82 | 130.5 Ų | 130.5 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -63.6 | -35.7 | 179.6 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | R162 | V158-R162 WeakPolarHBondContact O-CB 3.46Å; V158-R162 PolarHBondContact O-N 2.84Å |
| 159 | R | 58.5 | Low | 58.7 | Low | 139 Ų | 139 | 128.7 Ų | 128.7 | 53% | 0.525 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.6 | -36.5 | 175.1 | -74.5 | -168 | -83.1 | -146.6 | -1.3 | 112.8 | D155 Q156 Q157 Y161 R162 N163 | D155-R159 PolarHBondContact O-N 3.05Å; Q156-R159 PolarHBondContact O-N 3.42Å; Q157-R159 VanDerWaalsContact C-N 3.29Å; Q157-R159 PolarHBondContact O-N 3.45Å; R159-Y161 VanDerWaalsContact C-N 3.31Å; R159-Y161 PolarHBondContact O-N 3.47Å; R159-R162 PolarHBondContact O-N 2.84Å; R159-N163 WeakPolarHBondContact O-CB 3.39Å; R159-N163 PolarHBondContact O-N 2.68Å; R159-N163 PolarHBondContact O-OD1 2.76Å |
| 160 | I | 61.2 | Low | 60.4 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.4 | -38 | 177.5 | -63.5 | 161 | 0 | 0 | 0 | 111.1 | Q156 Q157 W164 | Q156-I160 WeakPolarHBondContact O-CD1 3.37Å; Q156-I160 VanDerWaalsContact O-CG1 3.28Å; Q156-I160 WeakPolarHBondContact O-CG1 3.35Å; Q156-I160 PolarHBondContact O-N 3.31Å; Q157-I160 PolarHBondContact O-N 2.93Å; Q157-I160 VanDerWaalsContact O-N 3.15Å; I160-W164 PolarHBondContact O-N 3.07Å |
| 161 | Y | 61.9 | Low | 61.6 | Low | 183 Ų | 183 | 125 Ų | 125 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77 | -30.4 | 173.7 | -62.7 | -69.8 | 0 | 0 | 0 | 113.5 | Q157 R159 | Q157-Y161 HydrophobicContact CB-CE2 4.49Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.49Å; Q157-Y161 PolarHBondContact O-N 3.01Å; R159-Y161 VanDerWaalsContact C-N 3.31Å; R159-Y161 PolarHBondContact O-N 3.47Å |
| 162 | R | 68.2 | Low | 62.6 | Low | 215 Ų | 215 | 125.1 Ų | 125.1 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.9 | -22.3 | -178.1 | -164.3 | 172.7 | 174 | -179.3 | -2.2 | 113.3 | V158 R159 | V158-R162 WeakPolarHBondContact O-CB 3.46Å; V158-R162 PolarHBondContact O-N 2.84Å; R159-R162 PolarHBondContact O-N 2.84Å |
| 163 | N | 76.1 | Confident | 64.5 | Low | 125 Ų | 125 | 124.7 Ų | 124.7 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 11.4 | 175.4 | -63.3 | 104.9 | 0 | 0 | 0 | 112.8 | R159 N165 | R159-N163 WeakPolarHBondContact O-CB 3.39Å; R159-N163 PolarHBondContact O-N 2.68Å; R159-N163 PolarHBondContact O-OD1 2.76Å; N163-N165 PolarHBondContact O-N 3.29Å |
| 164 | W | 79.3 | Confident | 65.2 | Low | 182 Ų | 182 | 128 Ų | 128 | 69% | 0.689 | 65% | 0.645 | S | S | * | * | trans | -67.3 | 105.1 | 171.4 | -174.6 | 57.3 | 0 | 0 | 0 | 109 | I160 P166 | I160-W164 PolarHBondContact O-N 3.07Å; W164-P166 HydrophobicContact CD2-CB 4.19Å; W164-P166 HydrophobicContact CE3-CB 4.2Å; W164-P166 HydrophobicContact CE3-CG 4.38Å; W164-P166 HydrophobicContact CH2-CB 3.69Å; W164-P166 HydrophobicContact CH2-CG 4.5Å; W164-P166 HydrophobicContact CZ2-CB 3.64Å; W164-P166 HydrophobicContact CZ3-CB 3.96Å; W164-P166 HydrophobicContact CZ3-CG 4.3Å; W164-P166 WeakPolarHBondContact O-CD 3.17Å | ||
| 165 | N | 67 | Low | 66 | Low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | trans | -91.6 | 94.3 | 165.3 | -172.9 | 31.7 | 0 | 0 | 0 | 106.2 | N163 | N163-N165 PolarHBondContact O-N 3.29Š| ||
| 166 | P | 75.4 | Confident | 67.2 | Low | 49 Ų | 49 | 126.8 Ų | 126.8 | 32% | 0.318 | 63% | 0.633 | S | S | . | * | trans | -54.3 | 142.5 | -179 | 23.3 | -33.3 | 0 | 0 | 0 | 109 | W164 L168 | W164-P166 HydrophobicContact CD2-CB 4.19Å; W164-P166 HydrophobicContact CE3-CB 4.2Å; W164-P166 HydrophobicContact CE3-CG 4.38Å; W164-P166 HydrophobicContact CH2-CB 3.69Å; W164-P166 HydrophobicContact CH2-CG 4.5Å; W164-P166 HydrophobicContact CZ2-CB 3.64Å; W164-P166 HydrophobicContact CZ3-CB 3.96Å; W164-P166 HydrophobicContact CZ3-CG 4.3Å; W164-P166 WeakPolarHBondContact O-CD 3.17Å; P166-L168 PolarHBondContact O-N 2.75Å | ||
| 167 | P | 70.1 | Confident | 67.7 | Low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | trans | -55.2 | 115 | 173.6 | 24.2 | -32 | 0 | 0 | 0 | 106.9 | L169 | P167-L169 PolarHBondContact O-N 2.9Š| ||
| 168 | L | 71.1 | Confident | 68.4 | Low | 150 Ų | 150 | 128.7 Ų | 128.7 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | trans | -64.4 | 93.6 | 178.9 | -64.3 | 174.5 | 0 | 0 | 0 | 106.4 | P166 G170 | P166-L168 PolarHBondContact O-N 2.75Å; L168-G170 PolarHBondContact O-N 3.13Å; L168-G170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | L | 65.7 | Low | 69.1 | Low | 154 Ų | 154 | 132.4 Ų | 132.4 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | trans | -54.2 | 120.3 | 162.2 | -65.5 | 167.3 | 0 | 0 | 0 | 104.2 | P167 | P167-L169 PolarHBondContact O-N 2.9Š| ||
| 170 | G | 70.2 | Confident | 69.1 | Low | 63 Ų | 63 | 133.4 Ų | 133.4 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -53.4 | 173.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L168 L172 | L168-G170 PolarHBondContact O-N 3.13Å; L168-G170 VanDerWaalsContact O-N 3.13Å; G170-L172 PolarHBondContact O-N 2.78Å | ||
| 171 | N | 68.6 | Low | 68.8 | Low | 166 Ų | 166 | 134.1 Ų | 134.1 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -43.7 | 117.8 | -177.8 | -64.1 | -42 | 0 | 0 | 0 | 110.7 | ||
| 172 | L | 66.5 | Low | 68.2 | Low | 96 Ų | 96 | 135.2 Ų | 135.2 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | trans | -55.5 | 134.1 | -179.2 | -167.4 | 71.2 | 0 | 0 | 0 | 108 | G170 E174 F176 | G170-L172 PolarHBondContact O-N 2.78Å; L172-E174 PolarHBondContact O-N 2.71Å; L172-F176 HydrophobicContact CD1-CB 4.03Å; L172-F176 HydrophobicContact CD1-CD1 3.59Å; L172-F176 HydrophobicContact CD1-CD2 3.86Å; L172-F176 HydrophobicContact CD1-CE1 3.89Å; L172-F176 HydrophobicContact CD1-CE2 4.15Å; L172-F176 HydrophobicContact CD1-CG 3.56Å; L172-F176 HydrophobicContact CD1-CZ 4.15Å; L172-F176 HydrophobicContact CD2-CB 3.51Å; L172-F176 HydrophobicContact CD2-CD1 3.81Å; L172-F176 HydrophobicContact CD2-CG 3.85Å; L172-F176 HydrophobicContact CG-CB 3.46Å; L172-F176 VanDerWaalsContact CG-CB 3.46Å; L172-F176 HydrophobicContact CG-CD1 3.93Å; L172-F176 HydrophobicContact CG-CD2 4.16Å; L172-F176 HydrophobicContact CG-CG 3.6Å | ||
| 173 | P | 80.8 | Confident | 67.4 | Low | 80 Ų | 80 | 131.4 Ų | 131.4 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | trans | -51.5 | 140.5 | 179.6 | -26.6 | 33.4 | 0 | 0 | 0 | 111.4 | D175 F176 | P173-D175 PolarHBondContact O-N 3.37Å; P173-F176 HydrophobicContact CG-CD2 4.16Å; P173-F176 WeakPolarHBondContact O-CB 3.28Å; P173-F176 PolarHBondContact O-N 2.98Å | ||
| 174 | E | 66 | Low | 65.7 | Low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -14.5 | 179.3 | -99.2 | 68.4 | -151.9 | 0 | 0 | 114.9 | L172 R178 | L172-E174 PolarHBondContact O-N 2.71Å; E174-R178 PolarHBondContact O-NH1 2.74Å; E174-R178 PolarHBondContact O-NH2 2.96Å |
| 175 | D | 64.8 | Low | 63.7 | Low | 70 Ų | 70 | 132.3 Ų | 132.3 | 37% | 0.374 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -0.5 | 179.9 | -67.1 | -45.4 | 0 | 0 | 0 | 114.6 | P173 L177 R178 W180 | P173-D175 PolarHBondContact O-N 3.37Å; D175-L177 PolarHBondContact O-N 2.98Å; D175-R178 HydrophobicContact CB-CB 4.49Å; D175-R178 WeakPolarHBondContact O-CB 3.42Å; D175-R178 PolarHBondContact O-N 2.9Å; D175-R178 IonicContact OD1-CZ 3.83Å; D175-R178 IonicContact OD1-NE 2.98Å; D175-R178 IonicContact OD1-NH1 3.44Å; D175-R178 PolarHBondContact OD1-NH1 2.87Å; D175-W180 PolarHBondContact OD1-NE1 3.49Å; D175-W180 WeakPolarHBondContact OD2-CZ2 3.4Å |
| 176 | F | 76.2 | Confident | 61.9 | Low | 131 Ų | 131 | 131.9 Ų | 131.9 | 58% | 0.575 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 127.4 | 174.7 | -127.2 | -98.6 | 0 | 0 | 0 | 109.4 | L172 P173 R178 | L172-F176 HydrophobicContact CD1-CB 4.03Å; L172-F176 HydrophobicContact CD1-CD1 3.59Å; L172-F176 HydrophobicContact CD1-CD2 3.86Å; L172-F176 HydrophobicContact CD1-CE1 3.89Å; L172-F176 HydrophobicContact CD1-CE2 4.15Å; L172-F176 HydrophobicContact CD1-CG 3.56Å; L172-F176 HydrophobicContact CD1-CZ 4.15Å; L172-F176 HydrophobicContact CD2-CB 3.51Å; L172-F176 HydrophobicContact CD2-CD1 3.81Å; L172-F176 HydrophobicContact CD2-CG 3.85Å; L172-F176 HydrophobicContact CG-CB 3.46Å; L172-F176 VanDerWaalsContact CG-CB 3.46Å; L172-F176 HydrophobicContact CG-CD1 3.93Å; L172-F176 HydrophobicContact CG-CD2 4.16Å; L172-F176 HydrophobicContact CG-CG 3.6Å; P173-F176 HydrophobicContact CG-CD2 4.16Å; P173-F176 WeakPolarHBondContact O-CB 3.28Å; P173-F176 PolarHBondContact O-N 2.98Å; F176-R178 PolarHBondContact O-N 3.42Å; F176-R178 VanDerWaalsContact O-N 3.15Å |
| 177 | L | 66.2 | Low | 60 | Low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | -0 | -168.2 | -53 | 175.7 | 0 | 0 | 0 | 115.9 | D175 I179 | D175-L177 PolarHBondContact O-N 2.98Å; L177-I179 PolarHBondContact O-N 2.79Å; L177-I179 VanDerWaalsContact O-N 3.08Å |
| 178 | R | 69.6 | Low | 58.3 | Low | 143 Ų | 143 | 138.6 Ų | 138.6 | 54% | 0.54 | 72% | 0.717 | S | S | . | * | trans | -76.7 | 100.6 | 165.1 | -162.8 | 173.7 | -69.8 | 143.5 | -0.8 | 106.4 | E174 D175 F176 W180 | E174-R178 PolarHBondContact O-NH1 2.74Å; E174-R178 PolarHBondContact O-NH2 2.96Å; D175-R178 HydrophobicContact CB-CB 4.49Å; D175-R178 WeakPolarHBondContact O-CB 3.42Å; D175-R178 PolarHBondContact O-N 2.9Å; D175-R178 IonicContact OD1-CZ 3.83Å; D175-R178 IonicContact OD1-NE 2.98Å; D175-R178 IonicContact OD1-NH1 3.44Å; D175-R178 PolarHBondContact OD1-NH1 2.87Å; F176-R178 PolarHBondContact O-N 3.42Å; F176-R178 VanDerWaalsContact O-N 3.15Å; R178-W180 PolarHBondContact O-N 2.96Å | ||
| 179 | I | 67.4 | Low | 56.4 | Low | 161 Ų | 161 | 141.4 Ų | 141.4 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -63.4 | 94.6 | 167.7 | -55.9 | 170.1 | 0 | 0 | 0 | 105.8 | L177 | L177-I179 PolarHBondContact O-N 2.79Å; L177-I179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | W | 59.5 | Low | 55 | Low | 159 Ų | 159 | 138.5 Ų | 138.5 | 60% | 0.602 | 71% | 0.711 | S | S | * | * | trans | -64 | 135.5 | 165.9 | -77.1 | 43.5 | 0 | 0 | 0 | 106.6 | D175 R178 R182 | D175-W180 PolarHBondContact OD1-NE1 3.49Å; D175-W180 WeakPolarHBondContact OD2-CZ2 3.4Å; R178-W180 PolarHBondContact O-N 2.96Å; W180-R182 PolarHBondContact O-N 3.45Å | ||
| 181 | P | 55.1 | Low | 53.2 | Low | 135 Ų | 135 | 144 Ų | 144 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -67.1 | 81.2 | 168.3 | 27.1 | -29.9 | 0 | 0 | 0 | 107.7 | ||||
| 182 | R | 49.5 | Very low | 51.4 | Low | 206 Ų | 206 | 141.1 Ų | 141.1 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | trans | -88 | 122.5 | 175 | -126.5 | -169.8 | 175.7 | -167.8 | 0.6 | 107 | W180 | W180-R182 PolarHBondContact O-N 3.45Š| ||
| 183 | Q | 49.4 | Very low | 49.5 | Very low | 134 Ų | 134 | 142 Ų | 142 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | 81 | 72.8 | 150.7 | -43.3 | -58.2 | -4 | 0 | 0 | 118.3 | ||||
| 184 | L | 40.8 | Very low | 47.8 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | trans | -124.7 | 81.4 | 133.5 | -76 | 178.8 | 0 | 0 | 0 | 107.3 | ||||
| 185 | N | 37.8 | Very low | 46.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -159.5 | 90.7 | 159.5 | -83 | -21.1 | 0 | 0 | 0 | 107.7 | ||||
| 186 | S | 29 | Very low | 45 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -155.9 | 71.6 | 147.2 | -164.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 187 | V | 36.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | -116 | 110 | 145.3 | 175.9 | 0 | 0 | 0 | 0 | 105.9 | Y189 | V187-Y189 HydrophobicContact CG1-CD2 4.19Å; V187-Y189 HydrophobicContact CG1-CE2 4.03Å; V187-Y189 PolarHBondContact O-N 2.85Å | ||
| 188 | E | 33.7 | Very low | 41.8 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -51 | 108.2 | 172.1 | -169.2 | 172.8 | -170.9 | 0 | 0 | 110.6 | ||||
| 189 | Y | 31.9 | Very low | 40 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | trans | -117.3 | 102.3 | 158.5 | -89.7 | -84.2 | 0 | 0 | 0 | 108.3 | V187 Q191 | V187-Y189 HydrophobicContact CG1-CD2 4.19Å; V187-Y189 HydrophobicContact CG1-CE2 4.03Å; V187-Y189 PolarHBondContact O-N 2.85Å; Y189-Q191 PolarHBondContact O-N 2.9Å | ||
| 190 | S | 36.2 | Very low | 38.5 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -63.1 | 118.5 | 156.8 | -71 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | Q | 32.4 | Very low | 37.4 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -173.8 | 108.4 | 141.9 | -102.3 | 161.6 | 77.9 | 0 | 0 | 112.5 | Y189 | Y189-Q191 PolarHBondContact O-N 2.9Š| ||
| 192 | S | 29.4 | Very low | 36.5 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 48 | 110.4 | 138.8 | 57.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 193 | S | 28.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -41.7 | 157.2 | 141.9 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 194 | P | 44.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -150.4 | 171.3 | 48.6 | 42.5 | -21.2 | 0 | 0 | 0 | 119.4 | ||||
| 195 | S | 32.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 85.7 | 108.4 | 149 | -51.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 196 | Q | 39.5 | Very low | 35.5 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -50.3 | 157.4 | 149.8 | -102.1 | -167.9 | -8.9 | 0 | 0 | 112.8 | ||||
| 197 | P | 42.2 | Very low | 35.8 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -141.1 | 155.1 | 77.7 | 33.7 | -14.3 | 0 | 0 | 0 | 116.6 | |||||
| 198 | S | 33.3 | Very low | 36 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -50.5 | 146.2 | 171.8 | -47.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 199 | S | 32 | Very low | 36.5 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -158.4 | 131.7 | 137.1 | -82.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 200 | T | 36.4 | Very low | 37.1 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 135.9 | 172.5 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 201 | S | 34.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -159.8 | 104.6 | 148.7 | 37.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 202 | A | 37.9 | Very low | 37.6 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 126.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 203 | V | 35.8 | Very low | 38.2 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -141.9 | 115.7 | 155 | -71 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 204 | S | 38.5 | Very low | 38.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -66.5 | 134 | 163.2 | -55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 205 | V | 41.2 | Very low | 38.3 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -140.4 | 98.6 | 153.5 | -74.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | S | 39 | Very low | 38.9 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -69.2 | 131.3 | 152.3 | 23.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | S | 36.4 | Very low | 38.8 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 95.7 | 164.7 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 208 | T | 41 | Very low | 38.8 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | 50 | 99.6 | 129.2 | 55.6 | 0 | 0 | 0 | 0 | 119.1 | Q210 | T208-Q210 PolarHBondContact O-N 3.34Š| |||
| 209 | S | 44.7 | Very low | 39 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 104.8 | 146.9 | -74.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 210 | Q | 43.7 | Very low | 39.3 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -101.2 | 122.2 | 161.7 | -92.4 | -175.7 | 25.7 | 0 | 0 | 109.7 | T208 | T208-Q210 PolarHBondContact O-N 3.34Š| ||
| 211 | R | 43.3 | Very low | 40 | Very low | 242 Ų | 242 | 129.9 Ų | 129.9 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -66.1 | 136.8 | 158.1 | -84.6 | 172.4 | 147.1 | -122.1 | 0.3 | 109.2 | ||||
| 212 | T | 35.1 | Very low | 39.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -139.9 | 126.1 | 143.1 | 37.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 213 | A | 43.5 | Very low | 40.9 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 69% | 0.694 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 151.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 214 | Q | 39.6 | Very low | 41.3 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | 172.7 | 148.2 | 123.6 | -92.8 | 171.5 | 62 | 0 | 0 | 113.6 | |||||
| 215 | A | 35.1 | Very low | 41.4 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 88.3 | 105.4 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 216 | V | 43.9 | Very low | 41.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -27.9 | 137.5 | 140.4 | 179.6 | 0 | 0 | 0 | 0 | 115.4 | V218 | V216-V218 HydrophobicContact CG1-CG2 4.43Š| ||
| 217 | S | 37.6 | Very low | 42 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -175.1 | 105 | 142.4 | -159.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 218 | V | 42.4 | Very low | 42.8 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | 53 | 115.2 | 90.1 | -171 | 0 | 0 | 0 | 0 | 114.5 | V216 | V216-V218 HydrophobicContact CG1-CG2 4.43Š| |||
| 219 | F | 37.5 | Very low | 43.2 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 21.1 | 141.9 | 148.9 | -86.6 | -98.3 | 0 | 0 | 0 | 120.9 | ||||
| 220 | G | 38.2 | Very low | 43.6 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 134.9 | 112.9 | 137.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 221 | A | 50.8 | Low | 44.1 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -61.1 | 139.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 222 | T | 33.5 | Very low | 45 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -152.8 | 134.7 | 141.1 | 42.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 223 | L | 58.5 | Low | 46.2 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -59.8 | 136 | 170.7 | -55.4 | 164.2 | 0 | 0 | 0 | 109.1 | ||||
| 224 | T | 43.9 | Very low | 47.3 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | 161.6 | 145.6 | 130.3 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 225 | A | 41 | Very low | 48.9 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | 77.8 | 100.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 226 | E | 51.9 | Low | 51 | Low | 197 Ų | 197 | 121 Ų | 121 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | 37.7 | 102.3 | 128.8 | -54.5 | -63.7 | 118 | 0 | 0 | 116.8 | |||||
| 227 | G | 39.8 | Very low | 52.9 | Low | 55 Ų | 55 | 120 Ų | 120 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | trans | -154.6 | 129.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N229 | G227-N229 PolarHBondContact O-N 3.31Š| ||
| 228 | P | 54.3 | Low | 55.3 | Low | 142 Ų | 142 | 117.5 Ų | 117.5 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | trans | -78.6 | 83.3 | -177.6 | 32 | -32.9 | 0 | 0 | 0 | 110.4 | ||||
| 229 | N | 48.1 | Very low | 57.4 | Low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 68% | 0.681 | S | S | * | * | trans | -141.6 | 24 | 176.5 | -147.9 | 14.4 | 0 | 0 | 0 | 114.6 | G227 I231 T232 | G227-N229 PolarHBondContact O-N 3.31Å; N229-I231 VanDerWaalsContact C-N 3.34Å; N229-T232 VanDerWaalsContact OD1-CB 3.28Å; N229-T232 WeakPolarHBondContact OD1-CB 2.8Å; N229-T232 PolarHBondContact OD1-OG1 2.91Å | ||
| 230 | M | 53.1 | Low | 59.7 | Low | 156 Ų | 156 | 113.1 Ų | 113.1 | 77% | 0.768 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -77.3 | -22.1 | 176.3 | -56.6 | -60.9 | 175.5 | 0 | 0 | 112.3 | L234 | M230-L234 WeakPolarHBondContact O-CG 3.22Å; M230-L234 PolarHBondContact O-N 3.46Å |
| 231 | I | 54.8 | Low | 62.1 | Low | 137 Ų | 137 | 115.3 Ų | 115.3 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.2 | -42.6 | -177.4 | -63.3 | 166 | 0 | 0 | 0 | 111.2 | N229 L234 Q235 | N229-I231 VanDerWaalsContact C-N 3.34Å; I231-L234 PolarHBondContact O-N 3.48Å; I231-Q235 PolarHBondContact O-N 2.9Å; I231-Q235 VanDerWaalsContact O-N 3.16Å |
| 232 | T | 61.7 | Low | 64.1 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 41% | 0.411 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.7 | -44.3 | 177.7 | -45.8 | 0 | 0 | 0 | 0 | 111.2 | N229 L234 Q235 E236 | N229-T232 VanDerWaalsContact OD1-CB 3.28Å; N229-T232 WeakPolarHBondContact OD1-CB 2.8Å; N229-T232 PolarHBondContact OD1-OG1 2.91Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.24Å; T232-Q235 PolarHBondContact O-N 3.44Å; T232-Q235 VanDerWaalsContact O-N 3.14Å; T232-E236 HydrophobicContact CG2-CG 4.34Å; T232-E236 WeakPolarHBondContact O-CG 3.49Å; T232-E236 PolarHBondContact O-N 3.25Å |
| 233 | G | 61.8 | Low | 66.7 | Low | 30 Ų | 30 | 116 Ų | 116 | 31% | 0.309 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.9 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N237 | G233-N237 WeakPolarHBondContact O-CB 3.32Å; G233-N237 PolarHBondContact O-N 3.48Å; G233-N237 PolarHBondContact O-ND2 3.25Å |
| 234 | L | 65.7 | Low | 68.1 | Low | 118 Ų | 118 | 111 Ų | 111 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.6 | -43.2 | 173.4 | -70.7 | 175.7 | 0 | 0 | 0 | 111.5 | M230 I231 T232 E236 N237 T238 | M230-L234 WeakPolarHBondContact O-CG 3.22Å; M230-L234 PolarHBondContact O-N 3.46Å; I231-L234 PolarHBondContact O-N 3.48Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.24Å; L234-E236 PolarHBondContact O-N 3.29Å; L234-N237 PolarHBondContact O-N 2.82Å; L234-T238 WeakPolarHBondContact O-CB 3.28Å; L234-T238 PolarHBondContact O-N 3.3Å; L234-T238 PolarHBondContact O-OG1 3.08Å |
| 235 | Q | 73.9 | Confident | 70.3 | Confident | 141 Ų | 141 | 107.2 Ų | 107.2 | 66% | 0.659 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -43.8 | 174.2 | -86.2 | -165.8 | 8.8 | 0 | 0 | 112.4 | I231 T232 N237 T238 L239 | I231-Q235 PolarHBondContact O-N 2.9Å; I231-Q235 VanDerWaalsContact O-N 3.16Å; T232-Q235 PolarHBondContact O-N 3.44Å; T232-Q235 VanDerWaalsContact O-N 3.14Å; Q235-N237 PolarHBondContact O-N 3.22Å; Q235-T238 PolarHBondContact O-N 2.91Å; Q235-L239 WeakPolarHBondContact O-CB 3.34Å; Q235-L239 PolarHBondContact O-N 3.19Å |
| 236 | E | 79.4 | Confident | 72.7 | Confident | 122 Ų | 122 | 108.9 Ų | 108.9 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.3 | -45.3 | 178 | -65.5 | -103.7 | 158.2 | 0 | 0 | 111.6 | T232 L234 L239 M240 | T232-E236 HydrophobicContact CG2-CG 4.34Å; T232-E236 WeakPolarHBondContact O-CG 3.49Å; T232-E236 PolarHBondContact O-N 3.25Å; L234-E236 PolarHBondContact O-N 3.29Å; E236-L239 PolarHBondContact O-N 3.48Å; E236-M240 WeakPolarHBondContact O-CB 3.47Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.46Å; E236-M240 PolarHBondContact O-N 3.29Å |
| 237 | N | 83.8 | Confident | 74.4 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -39.4 | 177.1 | -76.3 | -61.4 | 0 | 0 | 0 | 112.2 | G233 L234 Q235 M240 Q241 | G233-N237 WeakPolarHBondContact O-CB 3.32Å; G233-N237 PolarHBondContact O-N 3.48Å; G233-N237 PolarHBondContact O-ND2 3.25Å; L234-N237 PolarHBondContact O-N 2.82Å; Q235-N237 PolarHBondContact O-N 3.22Å; N237-M240 PolarHBondContact O-N 3.08Å; N237-Q241 PolarHBondContact O-N 2.82Å |
| 238 | T | 86.4 | Confident | 76.7 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 36% | 0.356 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.7 | -38.1 | 0 | 0 | 0 | 0 | 110.4 | L234 Q235 Q241 Y242 | L234-T238 WeakPolarHBondContact O-CB 3.28Å; L234-T238 PolarHBondContact O-N 3.3Å; L234-T238 PolarHBondContact O-OG1 3.08Å; Q235-T238 PolarHBondContact O-N 2.91Å; T238-Q241 WeakPolarHBondContact O-CB 3.43Å; T238-Q241 PolarHBondContact O-N 3.28Å; T238-Y242 HydrophobicContact CG2-CD2 4.15Å; T238-Y242 HydrophobicContact CG2-CE2 3.53Å; T238-Y242 WeakPolarHBondContact O-CD2 3.47Å; T238-Y242 PolarHBondContact O-N 3.15Å |
| 239 | L | 86.6 | Confident | 78.4 | Confident | 102 Ų | 102 | 95.3 Ų | 95.3 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.5 | -176.9 | 62.3 | 0 | 0 | 0 | 111.3 | Q235 E236 Q241 Y242 L243 | Q235-L239 WeakPolarHBondContact O-CB 3.34Å; Q235-L239 PolarHBondContact O-N 3.19Å; E236-L239 PolarHBondContact O-N 3.48Å; L239-Q241 VanDerWaalsContact C-N 3.29Å; L239-Q241 PolarHBondContact O-N 3Å; L239-Y242 PolarHBondContact O-N 3.33Å; L239-L243 HydrophobicContact CG-CD1 4.41Å; L239-L243 WeakPolarHBondContact O-CG 3.27Å; L239-L243 PolarHBondContact O-N 2.85Å |
| 240 | M | 86.3 | Confident | 80.4 | Confident | 129 Ų | 129 | 95.2 Ų | 95.2 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -39.1 | 174.7 | -77.2 | -71.6 | -80.2 | 0 | 0 | 112.1 | E236 N237 L243 E244 | E236-M240 WeakPolarHBondContact O-CB 3.47Å; E236-M240 VanDerWaalsContact O-CG 3.25Å; E236-M240 WeakPolarHBondContact O-CG 3.46Å; E236-M240 PolarHBondContact O-N 3.29Å; N237-M240 PolarHBondContact O-N 3.08Å; M240-L243 PolarHBondContact O-N 3.43Å; M240-E244 PolarHBondContact O-N 3.4Å |
| 241 | Q | 89.5 | Confident | 82 | Confident | 119 Ų | 119 | 89.1 Ų | 89.1 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 174.7 | -177 | 175 | -7.3 | 0 | 0 | 111.6 | N237 T238 L239 L243 E244 D245 | N237-Q241 PolarHBondContact O-N 2.82Å; T238-Q241 WeakPolarHBondContact O-CB 3.43Å; T238-Q241 PolarHBondContact O-N 3.28Å; L239-Q241 VanDerWaalsContact C-N 3.29Å; L239-Q241 PolarHBondContact O-N 3Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 3Å; Q241-E244 PolarHBondContact O-N 3.09Å; Q241-D245 WeakPolarHBondContact O-CB 3.44Å; Q241-D245 PolarHBondContact O-N 3.36Å |
| 242 | Y | 91.3 | Very high | 83.7 | Confident | 150 Ų | 150 | 84.5 Ų | 84.5 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 176.7 | -72.3 | -58.3 | 0 | 0 | 0 | 112.4 | T238 L239 E244 D245 E246 | T238-Y242 HydrophobicContact CG2-CD2 4.15Å; T238-Y242 HydrophobicContact CG2-CE2 3.53Å; T238-Y242 WeakPolarHBondContact O-CD2 3.47Å; T238-Y242 PolarHBondContact O-N 3.15Å; L239-Y242 PolarHBondContact O-N 3.33Å; Y242-E244 VanDerWaalsContact C-N 3.31Å; Y242-E244 PolarHBondContact O-N 2.93Å; Y242-D245 PolarHBondContact O-N 2.89Å; Y242-E246 WeakPolarHBondContact O-CB 3.45Å; Y242-E246 WeakPolarHBondContact O-CG 3.49Å; Y242-E246 PolarHBondContact O-N 2.67Å |
| 243 | L | 89.9 | Confident | 84.9 | Confident | 104 Ų | 104 | 87.9 Ų | 87.9 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 177.2 | -68.4 | 174.6 | 0 | 0 | 0 | 112.5 | L239 M240 Q241 R247 | L239-L243 HydrophobicContact CG-CD1 4.41Å; L239-L243 WeakPolarHBondContact O-CG 3.27Å; L239-L243 PolarHBondContact O-N 2.85Å; M240-L243 PolarHBondContact O-N 3.43Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 3Å; L243-R247 PolarHBondContact O-N 3.15Å |
| 244 | E | 86.8 | Confident | 86.2 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.3 | -39.3 | 174.7 | -167.3 | 67.7 | -166.9 | 0 | 0 | 111.4 | M240 Q241 Y242 R247 I248 F326 | M240-E244 PolarHBondContact O-N 3.4Å; Q241-E244 PolarHBondContact O-N 3.09Å; Y242-E244 VanDerWaalsContact C-N 3.31Å; Y242-E244 PolarHBondContact O-N 2.93Å; E244-R247 VanDerWaalsContact CD-NH1 3.27Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.3Å; E244-R247 IonicContact OE1-CZ 3.92Å; E244-R247 IonicContact OE1-NH1 2.92Å; E244-R247 PolarHBondContact OE1-NH1 3.02Å; E244-R247 IonicContact OE1-NH2 2.8Å; E244-R247 IonicContact OE2-NH1 3.56Å; E244-R247 PolarHBondContact OE2-NH1 3.36Å; E244-I248 WeakPolarHBondContact O-CG1 3.01Å; E244-I248 PolarHBondContact O-N 3.28Å; E244-F326 HydrophobicContact CB-CE1 4.45Å; E244-F326 HydrophobicContact CG-CD1 3.73Å; E244-F326 HydrophobicContact CG-CE1 3.72Å |
| 245 | D | 89.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 32% | 0.316 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.2 | -73.1 | -16.9 | 0 | 0 | 0 | 111.8 | Q241 Y242 R247 I248 A249 F326 | Q241-D245 WeakPolarHBondContact O-CB 3.44Å; Q241-D245 PolarHBondContact O-N 3.36Å; Y242-D245 PolarHBondContact O-N 2.89Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 2.92Å; D245-I248 WeakPolarHBondContact O-CB 3.5Å; D245-I248 PolarHBondContact O-N 3.28Å; D245-A249 PolarHBondContact O-N 3.42Å; D245-F326 WeakPolarHBondContact OD1-CZ 3.41Å |
| 246 | E | 90.9 | Very high | 87.9 | Confident | 125 Ų | 125 | 89.1 Ų | 89.1 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.7 | -44 | 172.5 | -81.6 | -66.9 | 134.7 | 0 | 0 | 111.8 | Y242 I248 A249 L250 | Y242-E246 WeakPolarHBondContact O-CB 3.45Å; Y242-E246 WeakPolarHBondContact O-CG 3.49Å; Y242-E246 PolarHBondContact O-N 2.67Å; E246-I248 VanDerWaalsContact C-N 3.28Å; E246-I248 PolarHBondContact O-N 3.29Å; E246-A249 WeakPolarHBondContact O-CB 3.24Å; E246-A249 PolarHBondContact O-N 3.18Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.5Å |
| 247 | R | 87.8 | Confident | 88.4 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 21% | 0.208 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.9 | 173.2 | 169 | 156.4 | -118 | -19.8 | 111.9 | L243 E244 D245 L250 F251 A329 S333 | L243-R247 PolarHBondContact O-N 3.15Å; E244-R247 VanDerWaalsContact CD-NH1 3.27Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.3Å; E244-R247 IonicContact OE1-CZ 3.92Å; E244-R247 IonicContact OE1-NH1 2.92Å; E244-R247 PolarHBondContact OE1-NH1 3.02Å; E244-R247 IonicContact OE1-NH2 2.8Å; E244-R247 IonicContact OE2-NH1 3.56Å; E244-R247 PolarHBondContact OE2-NH1 3.36Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 2.92Å; R247-L250 PolarHBondContact O-N 3.01Å; R247-F251 HydrophobicContact CG-CD2 4Å; R247-F251 HydrophobicContact CG-CE2 3.41Å; R247-F251 VanDerWaalsContact CG-CE2 3.41Å; R247-F251 HydrophobicContact CG-CZ 4.08Å; R247-F251 WeakPolarHBondContact O-CD2 3.35Å; R247-F251 PolarHBondContact O-N 3.31Å; R247-A329 PolarHBondContact NH2-O 3.48Å; R247-A329 VanDerWaalsContact NH2-O 3.14Å; R247-S333 VanDerWaalsContact CZ-OG 3.23Å; R247-S333 PolarHBondContact NE-OG 3.45Å; R247-S333 PolarHBondContact NH2-OG 2.59Å |
| 248 | I | 88.9 | Confident | 88.8 | Confident | 13 Ų | 13 | 78 Ų | 78 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.2 | -61.6 | -92.9 | 0 | 0 | 0 | 110.3 | E244 D245 E246 L250 F251 L252 L325 F326 A329 | E244-I248 WeakPolarHBondContact O-CG1 3.01Å; E244-I248 PolarHBondContact O-N 3.28Å; D245-I248 WeakPolarHBondContact O-CB 3.5Å; D245-I248 PolarHBondContact O-N 3.28Å; E246-I248 VanDerWaalsContact C-N 3.28Å; E246-I248 PolarHBondContact O-N 3.29Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.34Å; I248-F251 CarbonylContact O-C 3.58Å; I248-F251 PolarHBondContact O-N 3.49Å; I248-L252 HydrophobicContact CG2-CD1 3.99Å; I248-L252 HydrophobicContact CG2-CG 4.26Å; I248-L252 WeakPolarHBondContact O-CG 3.42Å; I248-L252 PolarHBondContact O-N 2.88Å; I248-L325 HydrophobicContact CD1-CD2 3.38Å; I248-L325 HydrophobicContact CG1-CD2 4.41Å; I248-L325 HydrophobicContact CG2-CD2 3.54Å; I248-F326 HydrophobicContact CD1-CD1 3.42Å; I248-F326 VanDerWaalsContact CD1-CD1 3.42Å; I248-F326 HydrophobicContact CD1-CE1 3.76Å; I248-F326 HydrophobicContact CD1-CG 4.12Å; I248-F326 HydrophobicContact CG1-CD1 3.73Å; I248-F326 HydrophobicContact CG1-CE1 3.55Å; I248-F326 HydrophobicContact CG1-CZ 4.47Å; I248-A329 HydrophobicContact CD1-CB 3.35Å |
| 249 | A | 90.1 | Very high | 88.9 | Confident | 41 Ų | 41 | 81 Ų | 81 | 34% | 0.339 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D245 E246 F251 L252 Q253 | D245-A249 PolarHBondContact O-N 3.42Å; E246-A249 WeakPolarHBondContact O-CB 3.24Å; E246-A249 PolarHBondContact O-N 3.18Å; A249-F251 VanDerWaalsContact C-N 3.34Å; A249-F251 PolarHBondContact O-N 3.19Å; A249-L252 PolarHBondContact O-N 2.92Å; A249-Q253 WeakPolarHBondContact O-CG 3.26Å; A249-Q253 PolarHBondContact O-N 3.46Å; A249-Q253 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 88.7 | Confident | 89 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 173.3 | -69.4 | 172.3 | 0 | 0 | 0 | 112.7 | E246 R247 I248 Q253 N254 | E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.5Å; R247-L250 PolarHBondContact O-N 3.01Å; I248-L250 VanDerWaalsContact C-N 3.29Å; I248-L250 PolarHBondContact O-N 3.34Å; L250-Q253 WeakPolarHBondContact O-CB 3.47Å; L250-Q253 PolarHBondContact O-N 3.36Å; L250-N254 PolarHBondContact O-N 3.24Å |
| 251 | F | 88.6 | Confident | 89.2 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 174.7 | -73.8 | -46.1 | 0 | 0 | 0 | 113.3 | R247 I248 A249 Q253 N254 F257 A329 F332 S333 | R247-F251 HydrophobicContact CG-CD2 4Å; R247-F251 HydrophobicContact CG-CE2 3.41Å; R247-F251 VanDerWaalsContact CG-CE2 3.41Å; R247-F251 HydrophobicContact CG-CZ 4.08Å; R247-F251 WeakPolarHBondContact O-CD2 3.35Å; R247-F251 PolarHBondContact O-N 3.31Å; I248-F251 CarbonylContact O-C 3.58Å; I248-F251 PolarHBondContact O-N 3.49Å; A249-F251 VanDerWaalsContact C-N 3.34Å; A249-F251 PolarHBondContact O-N 3.19Å; F251-Q253 PolarHBondContact O-N 2.79Å; F251-N254 WeakPolarHBondContact O-CA 3.5Å; F251-N254 WeakPolarHBondContact O-CB 3.45Å; F251-N254 PolarHBondContact O-N 3.08Å; F251-N254 VanDerWaalsContact O-O 3.1Å; F251-F257 HydrophobicContact CB-CB 4.22Å; F251-F257 HydrophobicContact CB-CD1 3.53Å; F251-F257 HydrophobicContact CB-CD2 4.12Å; F251-F257 HydrophobicContact CB-CE1 3.82Å; F251-F257 HydrophobicContact CB-CE2 4.39Å; F251-F257 HydrophobicContact CB-CG 3.68Å; F251-F257 HydrophobicContact CB-CZ 4.24Å; F251-F257 HydrophobicContact CG-CD2 4.34Å; F251-F257 HydrophobicContact CG-CG 4.29Å; F251-F257 WeakPolarHBondContact O-CB 3.42Å; F251-F257 WeakPolarHBondContact O-CD1 3.16Å; F251-A329 HydrophobicContact CD2-CB 3.92Å; F251-A329 HydrophobicContact CE2-CB 4.32Å; F251-F332 AromaticContact CD1-CD1 3.65Å; F251-F332 HydrophobicContact CD1-CD1 3.65Å; F251-F332 AromaticContact CD1-CE1 3.7Å; F251-F332 HydrophobicContact CD1-CE1 3.7Å; F251-F332 AromaticContact CE1-CD1 3.55Å; F251-F332 HydrophobicContact CE1-CD1 3.55Å; F251-F332 AromaticContact CE1-CE1 3.73Å; F251-F332 HydrophobicContact CE1-CE1 3.73Å; F251-F332 HydrophobicContact CG-CD1 4.44Å; F251-F332 HydrophobicContact CZ-CD1 4.23Å; F251-S333 WeakPolarHBondContact CE2-OG 3.36Å; F251-S333 WeakPolarHBondContact CZ-OG 3.42Å |
| 252 | L | 89.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.6 | -25.5 | 177.2 | -71.4 | 173.6 | 0 | 0 | 0 | 111.7 | I248 A249 N254 F257 L258 R311 L314 | I248-L252 HydrophobicContact CG2-CD1 3.99Å; I248-L252 HydrophobicContact CG2-CG 4.26Å; I248-L252 WeakPolarHBondContact O-CG 3.42Å; I248-L252 PolarHBondContact O-N 2.88Å; A249-L252 PolarHBondContact O-N 2.92Å; L252-N254 VanDerWaalsContact C-N 3.31Å; L252-F257 HydrophobicContact CD2-CD1 4.38Å; L252-F257 HydrophobicContact CD2-CE1 4.03Å; L252-L258 HydrophobicContact CD2-CD1 4.09Å; L252-R311 PolarHBondContact O-NH2 3.13Å; L252-L314 HydrophobicContact CD2-CD2 3.53Å |
| 253 | Q | 87.8 | Confident | 89.1 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.5 | -25.4 | 168.9 | -66.9 | 172.7 | 27.6 | 0 | 0 | 113.1 | A249 L250 F251 | A249-Q253 WeakPolarHBondContact O-CG 3.26Å; A249-Q253 PolarHBondContact O-N 3.46Å; A249-Q253 VanDerWaalsContact O-N 3.15Å; L250-Q253 WeakPolarHBondContact O-CB 3.47Å; L250-Q253 PolarHBondContact O-N 3.36Å; F251-Q253 PolarHBondContact O-N 2.79Å |
| 254 | N | 88.1 | Confident | 89.2 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | trans | -86.2 | 117.5 | 178.6 | -175.2 | -15.4 | 0 | 0 | 0 | 111.2 | L250 F251 L252 E256 F257 L258 | L250-N254 PolarHBondContact O-N 3.24Å; F251-N254 WeakPolarHBondContact O-CA 3.5Å; F251-N254 WeakPolarHBondContact O-CB 3.45Å; F251-N254 PolarHBondContact O-N 3.08Å; F251-N254 VanDerWaalsContact O-O 3.1Å; L252-N254 VanDerWaalsContact C-N 3.31Å; N254-E256 VanDerWaalsContact C-N 3.29Å; N254-E256 PolarHBondContact O-N 3.04Å; N254-E256 WeakPolarHBondContact OD1-CB 3.16Å; N254-E256 PolarHBondContact OD1-N 2.83Å; N254-F257 HydrophobicContact CB-CB 4.42Å; N254-F257 PolarHBondContact O-N 3.41Å; N254-L258 PolarHBondContact O-N 3.35Å | ||
| 255 | E | 88.6 | Confident | 89.4 | Confident | 119 Ų | 119 | 72.4 Ų | 72.4 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.4 | -31.8 | 179 | -62.8 | -173.5 | -177.9 | 0 | 0 | 113.9 | F257 L258 K259 | E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 3.03Å; E255-L258 PolarHBondContact O-N 3.29Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 VanDerWaalsContact O-CG 3.28Å; E255-K259 WeakPolarHBondContact O-CG 3.28Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.93Å |
| 256 | E | 87.6 | Confident | 89.5 | Confident | 133 Ų | 133 | 75.2 Ų | 75.2 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 177.4 | -70.9 | -154.6 | 135.5 | 0 | 0 | 111.8 | N254 L258 K259 E260 F332 | N254-E256 VanDerWaalsContact C-N 3.29Å; N254-E256 PolarHBondContact O-N 3.04Å; N254-E256 WeakPolarHBondContact OD1-CB 3.16Å; N254-E256 PolarHBondContact OD1-N 2.83Å; E256-L258 VanDerWaalsContact C-N 3.34Å; E256-K259 PolarHBondContact O-N 3.38Å; E256-E260 WeakPolarHBondContact O-CB 3.44Å; E256-E260 PolarHBondContact O-N 2.89Å; E256-F332 HydrophobicContact CB-CZ 4.43Å |
| 257 | F | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.1 | 175 | -102.4 | 0 | 0 | 0 | 110.8 | F251 L252 N254 E255 K259 E260 L261 I328 A329 F332 | F251-F257 HydrophobicContact CB-CB 4.22Å; F251-F257 HydrophobicContact CB-CD1 3.53Å; F251-F257 HydrophobicContact CB-CD2 4.12Å; F251-F257 HydrophobicContact CB-CE1 3.82Å; F251-F257 HydrophobicContact CB-CE2 4.39Å; F251-F257 HydrophobicContact CB-CG 3.68Å; F251-F257 HydrophobicContact CB-CZ 4.24Å; F251-F257 HydrophobicContact CG-CD2 4.34Å; F251-F257 HydrophobicContact CG-CG 4.29Å; F251-F257 WeakPolarHBondContact O-CB 3.42Å; F251-F257 WeakPolarHBondContact O-CD1 3.16Å; L252-F257 HydrophobicContact CD2-CD1 4.38Å; L252-F257 HydrophobicContact CD2-CE1 4.03Å; N254-F257 HydrophobicContact CB-CB 4.42Å; N254-F257 PolarHBondContact O-N 3.41Å; E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 3.03Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 2.97Å; F257-E260 PolarHBondContact O-N 3.16Å; F257-L261 HydrophobicContact CE1-CD2 4.31Å; F257-L261 VanDerWaalsContact O-CB 3.28Å; F257-L261 WeakPolarHBondContact O-CB 3.34Å; F257-L261 PolarHBondContact O-N 3.44Å; F257-I328 HydrophobicContact CE2-CG2 4.03Å; F257-A329 HydrophobicContact CE2-CB 3.97Å; F257-A329 HydrophobicContact CZ-CB 3.92Å; F257-F332 HydrophobicContact CB-CD1 4.42Å; F257-F332 HydrophobicContact CB-CE1 4.08Å; F257-F332 HydrophobicContact CB-CE2 4.25Å; F257-F332 HydrophobicContact CB-CZ 3.99Å; F257-F332 HydrophobicContact CD2-CB 3.97Å; F257-F332 AromaticContact CD2-CD1 3.91Å; F257-F332 HydrophobicContact CD2-CD1 3.91Å; F257-F332 HydrophobicContact CD2-CD2 4.04Å; F257-F332 HydrophobicContact CD2-CE1 4.41Å; F257-F332 AromaticContact CD2-CG 3.71Å; F257-F332 HydrophobicContact CD2-CG 3.71Å; F257-F332 HydrophobicContact CE2-CB 4.22Å; F257-F332 HydrophobicContact CE2-CG 4.44Å |
| 258 | L | 90.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.1 | -156.4 | 68.9 | 0 | 0 | 0 | 111.3 | L252 N254 E255 E256 L261 K262 D307 F310 | L252-L258 HydrophobicContact CD2-CD1 4.09Å; N254-L258 PolarHBondContact O-N 3.35Å; E255-L258 PolarHBondContact O-N 3.29Å; E256-L258 VanDerWaalsContact C-N 3.34Å; L258-L261 PolarHBondContact O-N 2.89Å; L258-K262 VanDerWaalsContact O-CG 3.28Å; L258-K262 WeakPolarHBondContact O-CG 3.24Å; L258-K262 PolarHBondContact O-N 2.95Å; L258-D307 HydrophobicContact CD2-CB 3.66Å; L258-F310 HydrophobicContact CD1-CD1 3.73Å; L258-F310 HydrophobicContact CD1-CE1 3.76Å; L258-F310 HydrophobicContact CG-CD1 4.04Å; L258-F310 HydrophobicContact CG-CE1 4.2Å |
| 259 | K | 88.9 | Confident | 90.1 | Very high | 120 Ų | 120 | 73.8 Ų | 73.8 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.6 | -72.7 | 169.4 | -175 | 168 | 0 | 111.9 | E255 E256 F257 L261 K262 R263 | E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 VanDerWaalsContact O-CG 3.28Å; E255-K259 WeakPolarHBondContact O-CG 3.28Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.93Å; E256-K259 PolarHBondContact O-N 3.38Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 2.97Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.48Å; K259-K262 PolarHBondContact O-N 3.15Å; K259-R263 WeakPolarHBondContact O-CB 3.48Å; K259-R263 PolarHBondContact O-N 2.89Å |
| 260 | E | 88.6 | Confident | 90.1 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.7 | -168.1 | 78 | -112.2 | 0 | 0 | 111.8 | E256 F257 R263 N264 R335 | E256-E260 WeakPolarHBondContact O-CB 3.44Å; E256-E260 PolarHBondContact O-N 2.89Å; F257-E260 PolarHBondContact O-N 3.16Å; E260-R263 WeakPolarHBondContact O-CB 3.41Å; E260-R263 PolarHBondContact O-N 3.38Å; E260-R263 IonicContact OE1-CZ 3.12Å; E260-R263 IonicContact OE1-NE 2.76Å; E260-R263 PolarHBondContact OE1-NE 2.73Å; E260-R263 IonicContact OE1-NH2 2.68Å; E260-R263 PolarHBondContact OE1-NH2 2.72Å; E260-N264 PolarHBondContact O-N 2.97Å; E260-R335 IonicContact OE2-NH1 2.71Å; E260-R335 PolarHBondContact OE2-NH1 2.95Å |
| 261 | L | 91.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 174 | -171.6 | 64.7 | 0 | 0 | 0 | 111.4 | F257 L258 K259 R263 N264 F267 F310 L314 L325 I328 | F257-L261 HydrophobicContact CE1-CD2 4.31Å; F257-L261 VanDerWaalsContact O-CB 3.28Å; F257-L261 WeakPolarHBondContact O-CB 3.34Å; F257-L261 PolarHBondContact O-N 3.44Å; L258-L261 PolarHBondContact O-N 2.89Å; K259-L261 VanDerWaalsContact C-N 3.32Å; K259-L261 PolarHBondContact O-N 3.48Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 PolarHBondContact O-N 3.46Å; L261-N264 PolarHBondContact O-N 3.35Å; L261-F267 HydrophobicContact CD1-CD1 3.63Å; L261-F267 HydrophobicContact CD1-CD2 4.13Å; L261-F267 HydrophobicContact CD1-CE1 3.6Å; L261-F267 HydrophobicContact CD1-CE2 4.1Å; L261-F267 HydrophobicContact CD1-CG 3.91Å; L261-F267 HydrophobicContact CD1-CZ 3.85Å; L261-F267 HydrophobicContact CD2-CE1 3.85Å; L261-F267 HydrophobicContact CD2-CZ 4.05Å; L261-F267 HydrophobicContact CG-CD1 3.83Å; L261-F267 HydrophobicContact CG-CE1 3.54Å; L261-F267 HydrophobicContact CG-CZ 4.1Å; L261-F310 HydrophobicContact CD2-CE1 3.98Å; L261-F310 HydrophobicContact CD2-CZ 4.2Å; L261-F310 HydrophobicContact CG-CE1 4.32Å; L261-F310 HydrophobicContact CG-CZ 4.18Å; L261-L314 HydrophobicContact CD2-CD2 3.74Å; L261-L314 HydrophobicContact CD2-CG 4.5Å; L261-L325 HydrophobicContact CD2-CD1 4.09Å; L261-L325 HydrophobicContact CD2-CG 4.48Å; L261-I328 HydrophobicContact CD1-CB 4.43Å; L261-I328 HydrophobicContact CD1-CD1 3.7Å; L261-I328 HydrophobicContact CD1-CG2 4.22Å |
| 262 | K | 88.6 | Confident | 90.4 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -30.2 | 173 | -70.4 | 169.9 | 81.3 | 173.6 | 0 | 112.3 | L258 K259 N264 D306 D307 F310 | L258-K262 VanDerWaalsContact O-CG 3.28Å; L258-K262 WeakPolarHBondContact O-CG 3.24Å; L258-K262 PolarHBondContact O-N 2.95Å; K259-K262 PolarHBondContact O-N 3.15Å; K262-N264 VanDerWaalsContact C-N 3.26Å; K262-N264 PolarHBondContact O-N 3.1Å; K262-D306 WeakPolarHBondContact CE-OD2 3.14Å; K262-D306 IonicContact NZ-OD2 2.72Å; K262-D306 PolarHBondContact NZ-OD2 2.89Å; K262-D307 IonicContact NZ-OD1 3.46Å; K262-D307 PolarHBondContact NZ-OD1 3.03Å; K262-F310 HydrophobicContact CD-CD1 4.23Å; K262-F310 HydrophobicContact CD-CE1 4.32Å; K262-F310 HydrophobicContact CD-CG 4.47Å; K262-F310 HydrophobicContact CG-CD1 4Å; K262-F310 HydrophobicContact CG-CD2 4.29Å; K262-F310 HydrophobicContact CG-CE1 3.63Å; K262-F310 HydrophobicContact CG-CE2 3.97Å; K262-F310 HydrophobicContact CG-CG 4.3Å; K262-F310 HydrophobicContact CG-CZ 3.61Å |
| 263 | R | 89.6 | Confident | 90.4 | Very high | 170 Ų | 170 | 78.9 Ų | 78.9 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -72.1 | -20.3 | 176 | -151.8 | 166.8 | 79.3 | 100.6 | 1.9 | 113.1 | K259 E260 L261 H265 | K259-R263 WeakPolarHBondContact O-CB 3.48Å; K259-R263 PolarHBondContact O-N 2.89Å; E260-R263 WeakPolarHBondContact O-CB 3.41Å; E260-R263 PolarHBondContact O-N 3.38Å; E260-R263 IonicContact OE1-CZ 3.12Å; E260-R263 IonicContact OE1-NE 2.76Å; E260-R263 PolarHBondContact OE1-NE 2.73Å; E260-R263 IonicContact OE1-NH2 2.68Å; E260-R263 PolarHBondContact OE1-NH2 2.72Å; L261-R263 VanDerWaalsContact C-N 3.29Å; L261-R263 PolarHBondContact O-N 3.46Å; R263-H265 PolarHBondContact O-N 2.71Å; R263-H265 VanDerWaalsContact O-N 3.08Å |
| 264 | N | 92.2 | Very high | 90.5 | Very high | 51 Ų | 51 | 73.4 Ų | 73.4 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -78.1 | 92.2 | 175.4 | -164.7 | -81.3 | 0 | 0 | 0 | 110.7 | E260 L261 K262 E266 F267 L268 I328 | E260-N264 PolarHBondContact O-N 2.97Å; L261-N264 PolarHBondContact O-N 3.35Å; K262-N264 VanDerWaalsContact C-N 3.26Å; K262-N264 PolarHBondContact O-N 3.1Å; N264-E266 VanDerWaalsContact C-N 3.26Å; N264-E266 PolarHBondContact O-N 2.89Å; N264-F267 HydrophobicContact CB-CB 3.94Å; N264-F267 WeakPolarHBondContact O-CB 3.35Å; N264-F267 PolarHBondContact O-N 3.27Å; N264-F267 WeakPolarHBondContact OD1-CB 3.09Å; N264-F267 PolarHBondContact OD1-N 3.02Å; N264-L268 PolarHBondContact O-N 3.18Å; N264-I328 HydrophobicContact CB-CD1 3.94Å | ||
| 265 | H | 91.9 | Very high | 90.2 | Very high | 143 Ų | 143 | 71.4 Ų | 71.4 | 66% | 0.662 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.4 | -37.1 | 179.7 | -74.8 | -74.7 | 0 | 0 | 0 | 113.3 | R263 L268 I269 | R263-H265 PolarHBondContact O-N 2.71Å; R263-H265 VanDerWaalsContact O-N 3.08Å; H265-L268 PolarHBondContact O-N 3.08Å; H265-I269 WeakPolarHBondContact O-CD1 3.43Å; H265-I269 VanDerWaalsContact O-CG1 3.27Å; H265-I269 WeakPolarHBondContact O-CG1 3.47Å; H265-I269 PolarHBondContact O-N 3.12Å |
| 266 | E | 92 | Very high | 89.4 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | 179.8 | -163.6 | -175 | 169.5 | 0 | 0 | 111.9 | N264 A270 K324 | N264-E266 VanDerWaalsContact C-N 3.26Å; N264-E266 PolarHBondContact O-N 2.89Å; E266-A270 WeakPolarHBondContact O-CB 3.39Å; E266-A270 PolarHBondContact O-N 2.81Å; E266-A270 VanDerWaalsContact O-N 3.08Å; E266-K324 IonicContact OE1-NZ 2.92Å; E266-K324 PolarHBondContact OE1-NZ 2.98Å; E266-K324 IonicContact OE2-NZ 2.57Å; E266-K324 PolarHBondContact OE2-NZ 2.72Å |
| 267 | F | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 172.5 | 173.6 | -97.1 | 0 | 0 | 0 | 111.4 | L261 N264 I269 A270 L271 F310 L314 M317 T321 K324 L325 I328 | L261-F267 HydrophobicContact CD1-CD1 3.63Å; L261-F267 HydrophobicContact CD1-CD2 4.13Å; L261-F267 HydrophobicContact CD1-CE1 3.6Å; L261-F267 HydrophobicContact CD1-CE2 4.1Å; L261-F267 HydrophobicContact CD1-CG 3.91Å; L261-F267 HydrophobicContact CD1-CZ 3.85Å; L261-F267 HydrophobicContact CD2-CE1 3.85Å; L261-F267 HydrophobicContact CD2-CZ 4.05Å; L261-F267 HydrophobicContact CG-CD1 3.83Å; L261-F267 HydrophobicContact CG-CE1 3.54Å; L261-F267 HydrophobicContact CG-CZ 4.1Å; N264-F267 HydrophobicContact CB-CB 3.94Å; N264-F267 WeakPolarHBondContact O-CB 3.35Å; N264-F267 PolarHBondContact O-N 3.27Å; N264-F267 WeakPolarHBondContact OD1-CB 3.09Å; N264-F267 PolarHBondContact OD1-N 3.02Å; F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.46Å; F267-A270 PolarHBondContact O-N 3.35Å; F267-L271 HydrophobicContact CE1-CB 4.34Å; F267-L271 HydrophobicContact CE1-CD2 3.71Å; F267-L271 HydrophobicContact CE1-CG 4.48Å; F267-L271 HydrophobicContact CZ-CB 4.47Å; F267-L271 HydrophobicContact CZ-CD1 4.35Å; F267-L271 HydrophobicContact CZ-CD2 4.09Å; F267-L271 WeakPolarHBondContact O-CB 3.23Å; F267-L271 PolarHBondContact O-N 2.91Å; F267-F310 HydrophobicContact CE1-CZ 4Å; F267-L314 HydrophobicContact CE1-CD1 4.48Å; F267-L314 HydrophobicContact CZ-CG 4.46Å; F267-M317 HydrophobicContact CE2-CE 4.46Å; F267-M317 HydrophobicContact CE2-SD 4.29Å; F267-M317 HydrophobicContact CZ-CE 4.05Å; F267-M317 HydrophobicContact CZ-SD 4.44Å; F267-T321 HydrophobicContact CD2-CG2 3.81Å; F267-T321 HydrophobicContact CE2-CG2 3.42Å; F267-T321 VanDerWaalsContact CE2-CG2 3.42Å; F267-T321 HydrophobicContact CZ-CG2 4.09Å; F267-K324 HydrophobicContact CD2-CB 4.12Å; F267-L325 HydrophobicContact CE2-CB 3.95Å; F267-L325 HydrophobicContact CZ-CD1 4.3Å; F267-I328 HydrophobicContact CB-CD1 4.09Å; F267-I328 HydrophobicContact CD2-CD1 4.45Å; F267-I328 HydrophobicContact CG-CD1 4.34Å |
| 268 | L | 92.9 | Very high | 86.9 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | -179.8 | -135.1 | 91.4 | 0 | 0 | 0 | 111.8 | N264 H265 L271 E272 F310 | N264-L268 PolarHBondContact O-N 3.18Å; H265-L268 PolarHBondContact O-N 3.08Å; L268-L271 PolarHBondContact O-N 3.32Å; L268-E272 WeakPolarHBondContact O-CB 2.9Å; L268-E272 PolarHBondContact O-N 3.24Å; L268-F310 HydrophobicContact CD1-CE2 3.79Å; L268-F310 HydrophobicContact CD1-CZ 4.33Å |
| 269 | I | 92.1 | Very high | 85.2 | Confident | 99 Ų | 99 | 79.2 Ų | 79.2 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 176.6 | -66.7 | 163.7 | 0 | 0 | 0 | 110.4 | H265 F267 L271 E272 R273 | H265-I269 WeakPolarHBondContact O-CD1 3.43Å; H265-I269 VanDerWaalsContact O-CG1 3.27Å; H265-I269 WeakPolarHBondContact O-CG1 3.47Å; H265-I269 PolarHBondContact O-N 3.12Å; F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.46Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 2.57Å; I269-E272 PolarHBondContact O-N 3.17Å; I269-R273 VanDerWaalsContact O-CG 3.26Å; I269-R273 WeakPolarHBondContact O-CG 3.2Å; I269-R273 PolarHBondContact O-N 3.23Å |
| 270 | A | 91.6 | Very high | 83.5 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E266 F267 E272 R273 D274 T321 | E266-A270 WeakPolarHBondContact O-CB 3.39Å; E266-A270 PolarHBondContact O-N 2.81Å; E266-A270 VanDerWaalsContact O-N 3.08Å; F267-A270 PolarHBondContact O-N 3.35Å; A270-E272 VanDerWaalsContact C-N 3.35Å; A270-E272 PolarHBondContact O-N 3.16Å; A270-R273 PolarHBondContact O-N 3.29Å; A270-D274 PolarHBondContact O-N 3.45Å; A270-T321 HydrophobicContact CB-CG2 4.39Å; A270-T321 WeakPolarHBondContact CB-OG1 3.48Å; A270-T321 PolarHBondContact O-OG1 3.46Å |
| 271 | L | 92.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65 | -36.5 | 177.1 | -177.4 | 67 | 0 | 0 | 0 | 112.3 | F267 L268 I269 G275 F310 K313 L314 M317 T321 | F267-L271 HydrophobicContact CE1-CB 4.34Å; F267-L271 HydrophobicContact CE1-CD2 3.71Å; F267-L271 HydrophobicContact CE1-CG 4.48Å; F267-L271 HydrophobicContact CZ-CB 4.47Å; F267-L271 HydrophobicContact CZ-CD1 4.35Å; F267-L271 HydrophobicContact CZ-CD2 4.09Å; F267-L271 WeakPolarHBondContact O-CB 3.23Å; F267-L271 PolarHBondContact O-N 2.91Å; L268-L271 PolarHBondContact O-N 3.32Å; I269-L271 VanDerWaalsContact C-N 3.33Å; I269-L271 PolarHBondContact O-N 2.57Å; L271-G275 PolarHBondContact O-N 3.05Å; L271-F310 HydrophobicContact CD2-CD2 4.39Å; L271-F310 HydrophobicContact CD2-CE2 3.78Å; L271-F310 HydrophobicContact CD2-CZ 4.36Å; L271-K313 HydrophobicContact CD1-CG 4.4Å; L271-K313 HydrophobicContact CD2-CD 4.32Å; L271-K313 HydrophobicContact CD2-CG 4.13Å; L271-K313 HydrophobicContact CG-CD 4.4Å; L271-K313 HydrophobicContact CG-CG 4.02Å; L271-K313 PolarHBondContact O-NZ 3.14Å; L271-L314 HydrophobicContact CD2-CD1 3.78Å; L271-M317 HydrophobicContact CD1-CB 3.41Å; L271-M317 VanDerWaalsContact CD1-CB 3.41Å; L271-M317 HydrophobicContact CD1-CE 4.32Å; L271-T321 HydrophobicContact CB-CG2 3.89Å; L271-T321 HydrophobicContact CD1-CG2 3.98Å |
| 272 | E | 90.5 | Very high | 79.6 | Confident | 109 Ų | 109 | 85.3 Ų | 85.3 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 173.7 | -170.1 | 179.6 | -178 | 0 | 0 | 112.2 | L268 I269 A270 D274 G275 L276 K313 | L268-E272 WeakPolarHBondContact O-CB 2.9Å; L268-E272 PolarHBondContact O-N 3.24Å; I269-E272 PolarHBondContact O-N 3.17Å; A270-E272 VanDerWaalsContact C-N 3.35Å; A270-E272 PolarHBondContact O-N 3.16Å; E272-D274 PolarHBondContact O-N 3.33Å; E272-G275 PolarHBondContact O-N 3.27Å; E272-L276 WeakPolarHBondContact O-CG 3.41Å; E272-L276 PolarHBondContact O-N 3.46Å; E272-K313 VanDerWaalsContact N-NZ 3.15Å |
| 273 | R | 90 | Very high | 77.5 | Confident | 186 Ų | 186 | 86.7 Ų | 86.7 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.9 | -36.9 | 175.5 | -68.1 | 176.3 | 72.5 | 76.4 | 3.6 | 112.4 | I269 A270 | I269-R273 VanDerWaalsContact O-CG 3.26Å; I269-R273 WeakPolarHBondContact O-CG 3.2Å; I269-R273 PolarHBondContact O-N 3.23Å; A270-R273 PolarHBondContact O-N 3.29Å |
| 274 | D | 89.4 | Confident | 75.2 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.128 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -78.4 | -38.6 | 178.6 | -73.6 | -17.5 | 0 | 0 | 0 | 112.9 | A270 E272 L276 K277 Y278 G318 T321 | A270-D274 PolarHBondContact O-N 3.45Å; E272-D274 PolarHBondContact O-N 3.33Å; D274-L276 VanDerWaalsContact C-N 3.32Å; D274-L276 PolarHBondContact O-N 3.17Å; D274-K277 VanDerWaalsContact O-CB 3.3Å; D274-K277 WeakPolarHBondContact O-CB 3.22Å; D274-K277 PolarHBondContact O-N 3.43Å; D274-Y278 PolarHBondContact O-N 2.81Å; D274-G318 WeakPolarHBondContact OD2-CA 3.39Å; D274-G318 PolarHBondContact OD2-N 3.48Å; D274-T321 WeakPolarHBondContact OD2-CB 3.34Å; D274-T321 PolarHBondContact OD2-OG1 3.04Å |
| 275 | G | 82.3 | Confident | 73.1 | Confident | 20 Ų | 20 | 91.3 Ų | 91.3 | 21% | 0.206 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L271 E272 K277 Y278 G279 | L271-G275 PolarHBondContact O-N 3.05Å; E272-G275 PolarHBondContact O-N 3.27Å; G275-K277 PolarHBondContact O-N 3.37Å; G275-Y278 PolarHBondContact O-N 2.96Å; G275-G279 PolarHBondContact O-N 3.06Å |
| 276 | L | 70.9 | Confident | 70.7 | Confident | 116 Ų | 116 | 89 Ų | 89 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.5 | -28.6 | 176.3 | -66.2 | 170.1 | 0 | 0 | 0 | 112.7 | E272 D274 S280 | E272-L276 WeakPolarHBondContact O-CG 3.41Å; E272-L276 PolarHBondContact O-N 3.46Å; D274-L276 VanDerWaalsContact C-N 3.32Å; D274-L276 PolarHBondContact O-N 3.17Å; L276-S280 PolarHBondContact O-N 3.47Å; L276-S280 PolarHBondContact O-OG 3Å |
| 277 | K | 67.4 | Low | 68.3 | Low | 150 Ų | 150 | 88.7 Ų | 88.7 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.4 | -24.3 | -176.5 | -152.6 | 177.3 | -179.6 | -169.9 | 0 | 113.4 | D274 G275 | D274-K277 VanDerWaalsContact O-CB 3.3Å; D274-K277 WeakPolarHBondContact O-CB 3.22Å; D274-K277 PolarHBondContact O-N 3.43Å; G275-K277 PolarHBondContact O-N 3.37Å |
| 278 | Y | 58 | Low | 66 | Low | 112 Ų | 112 | 96.6 Ų | 96.6 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -101.9 | -29.9 | 176.2 | -72.6 | -90.2 | 0 | 0 | 0 | 112.5 | D274 G275 S280 K281 H316 | D274-Y278 PolarHBondContact O-N 2.81Å; G275-Y278 PolarHBondContact O-N 2.96Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 2.96Å; Y278-K281 PolarHBondContact O-N 3.49Å; Y278-H316 WeakPolarHBondContact CD2-O 3.3Å |
| 279 | G | 54.3 | Low | 63.2 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 43% | 0.433 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G275 K281 S282 | G275-G279 PolarHBondContact O-N 3.06Å; G279-K281 PolarHBondContact O-N 3.04Å; G279-K281 VanDerWaalsContact O-N 3.12Å; G279-S282 WeakPolarHBondContact O-CB 3.45Å; G279-S282 PolarHBondContact O-N 3.41Å; G279-S282 VanDerWaalsContact O-N 3.08Å |
| 280 | S | 53.7 | Low | 60.9 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -10.8 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 114.7 | L276 Y278 S283 | L276-S280 PolarHBondContact O-N 3.47Å; L276-S280 PolarHBondContact O-OG 3Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-S280 PolarHBondContact O-N 2.96Å; S280-S283 PolarHBondContact O-OG 2.95Å |
| 281 | K | 51.3 | Low | 58.5 | Low | 139 Ų | 139 | 105.4 Ų | 105.4 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -16.1 | 175.2 | -52.7 | -179.4 | -172.4 | 175.1 | 0 | 112.5 | Y278 G279 | Y278-K281 PolarHBondContact O-N 3.49Å; G279-K281 PolarHBondContact O-N 3.04Å; G279-K281 VanDerWaalsContact O-N 3.12Å |
| 282 | S | 45.8 | Very low | 56.1 | Low | 77 Ų | 77 | 112 Ų | 112 | 54% | 0.538 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -78.4 | -27.9 | 177.3 | -169.1 | 0 | 0 | 0 | 0 | 112 | G279 H284 L285 S286 | G279-S282 WeakPolarHBondContact O-CB 3.45Å; G279-S282 PolarHBondContact O-N 3.41Å; G279-S282 VanDerWaalsContact O-N 3.08Å; S282-H284 PolarHBondContact O-N 2.55Å; S282-L285 PolarHBondContact O-N 3.15Å; S282-S286 PolarHBondContact O-N 3.5Å |
| 283 | S | 45.1 | Very low | 53.4 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -70.5 | -9.1 | 178.9 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | S280 | S280-S283 PolarHBondContact O-OG 2.95Š|
| 284 | H | 40.6 | Very low | 51.1 | Low | 164 Ų | 164 | 107.6 Ų | 107.6 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -102.5 | -2.8 | 177.9 | -140.3 | -60.3 | 0 | 0 | 0 | 113.8 | S282 | S282-H284 PolarHBondContact O-N 2.55Š|
| 285 | L | 48.4 | Very low | 48.6 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 81% | 0.806 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -3.6 | 179.4 | -64.1 | 178 | 0 | 0 | 0 | 114.3 | S282 | S282-L285 PolarHBondContact O-N 3.15Š|
| 286 | S | 41.9 | Very low | 46.7 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -95.1 | 18.9 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | S282 | S282-S286 PolarHBondContact O-N 3.5Š|
| 287 | S | 41.9 | Very low | 45.6 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -99.9 | 12.3 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 288 | L | 46.3 | Very low | 44.6 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -151.2 | 81.6 | 175.3 | -167.5 | 74.6 | 0 | 0 | 0 | 109.9 | ||
| 289 | D | 33.3 | Very low | 43.7 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | 170.9 | 86.8 | 124 | -160.9 | 14.4 | 0 | 0 | 0 | 109.3 | |||||
| 290 | T | 43.3 | Very low | 43.3 | Very low | 151 Ų | 151 | 130 Ų | 130 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | trans | -122.4 | 73.9 | 158.6 | 52.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 291 | S | 42.3 | Very low | 42.8 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | trans | -136.3 | 104.4 | 168.1 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 292 | T | 41.5 | Very low | 42.6 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | 78.6 | 95.9 | 141.7 | -47.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 293 | G | 33.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -173.3 | 48.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R295 | G293-R295 PolarHBondContact O-N 3.46Š| ||
| 294 | E | 41 | Very low | 43 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | -40.3 | 118.2 | 166.7 | -94.7 | -80.4 | -169.6 | 0 | 0 | 113 | Y296 | E294-Y296 VanDerWaalsContact CD-CE2 3.43Å; E294-Y296 WeakPolarHBondContact OE1-CE2 2.99Å; E294-Y296 PolarHBondContact OE1-OH 3.17Å; E294-Y296 VanDerWaalsContact OE2-CD2 3.22Å; E294-Y296 WeakPolarHBondContact OE2-CD2 3.37Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.28Å | ||
| 295 | R | 37.5 | Very low | 44.2 | Very low | 229 Ų | 229 | 130.8 Ų | 130.8 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -161.1 | 99.9 | 144.9 | 45.6 | -111.6 | -66.8 | -132.6 | -4.2 | 110.8 | G293 L297 | G293-R295 PolarHBondContact O-N 3.46Å; R295-L297 PolarHBondContact O-N 3.48Å | ||
| 296 | Y | 43.6 | Very low | 45.7 | Very low | 194 Ų | 194 | 128.2 Ų | 128.2 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | trans | -38.8 | 123.2 | 160.3 | -61.5 | -90.5 | 0 | 0 | 0 | 113 | E294 | E294-Y296 VanDerWaalsContact CD-CE2 3.43Å; E294-Y296 WeakPolarHBondContact OE1-CE2 2.99Å; E294-Y296 PolarHBondContact OE1-OH 3.17Å; E294-Y296 VanDerWaalsContact OE2-CD2 3.22Å; E294-Y296 WeakPolarHBondContact OE2-CD2 3.37Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.28Å | ||
| 297 | L | 47.2 | Very low | 47.6 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | trans | -141.5 | 109.2 | 143.6 | -88.9 | 167.4 | 0 | 0 | 0 | 106.6 | R295 | R295-L297 PolarHBondContact O-N 3.48Š| ||
| 298 | A | 46.5 | Very low | 49.7 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | -56.9 | 144.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 299 | D | 38.1 | Very low | 51.5 | Low | 148 Ų | 148 | 119.7 Ų | 119.7 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | 158.1 | 127.6 | 122.7 | -166.5 | 10.6 | 0 | 0 | 0 | 109.9 | |||||
| 300 | S | 47 | Very low | 54.2 | Low | 99 Ų | 99 | 113.9 Ų | 113.9 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | 66.6 | 72.6 | 168.1 | -58.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 301 | Q | 41.9 | Very low | 56.3 | Low | 175 Ų | 175 | 112.4 Ų | 112.4 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -111.2 | 97 | 148.3 | -77 | -114.2 | -65.7 | 0 | 0 | 107.5 | ||||
| 302 | D | 48.4 | Very low | 58.5 | Low | 140 Ų | 140 | 112 Ų | 112 | 75% | 0.749 | 61% | 0.612 | S | S | * | * | trans | -42.9 | 137.5 | 146.4 | -73.7 | -52 | 0 | 0 | 0 | 107.8 | P304 | D302-P304 VanDerWaalsContact O-N 3.13Š| ||
| 303 | P | 44.6 | Very low | 60.8 | Low | 107 Ų | 107 | 108.7 Ų | 108.7 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | trans | -49 | 129.2 | 176.5 | 22.2 | -32.6 | 0 | 0 | 0 | 107.5 | S305 | P303-S305 PolarHBondContact O-N 3.11Š| ||
| 304 | P | 53.9 | Low | 63.5 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | trans | -52.8 | 111.3 | -178.1 | 20.9 | -32 | 0 | 0 | 0 | 106.8 | D302 D306 | D302-P304 VanDerWaalsContact O-N 3.13Å; P304-D306 PolarHBondContact O-N 3.26Å | ||
| 305 | S | 65.9 | Low | 65.7 | Low | 72 Ų | 72 | 105 Ų | 105 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | trans | -49.7 | 140.3 | -174.6 | 173.7 | 0 | 0 | 0 | 0 | 108.1 | P303 D307 A308 | P303-S305 PolarHBondContact O-N 3.11Å; S305-D307 PolarHBondContact O-N 3.34Å; S305-A308 WeakPolarHBondContact O-CA 3.4Å; S305-A308 WeakPolarHBondContact O-CB 3.42Å; S305-A308 PolarHBondContact O-N 2.99Å | ||
| 306 | D | 79.4 | Confident | 68 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -47.3 | -27.9 | 178.3 | 179.6 | 51.1 | 0 | 0 | 0 | 111.8 | K262 P304 F310 | K262-D306 WeakPolarHBondContact CE-OD2 3.14Å; K262-D306 IonicContact NZ-OD2 2.72Å; K262-D306 PolarHBondContact NZ-OD2 2.89Å; P304-D306 PolarHBondContact O-N 3.26Å; D306-F310 VanDerWaalsContact O-CB 3.32Å; D306-F310 WeakPolarHBondContact O-CB 3.44Å; D306-F310 PolarHBondContact O-N 3.39Å |
| 307 | D | 83.1 | Confident | 70.2 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 18% | 0.176 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.9 | -31.4 | 174.9 | -68.2 | -14.4 | 0 | 0 | 0 | 114.7 | L258 K262 S305 R311 | L258-D307 HydrophobicContact CD2-CB 3.66Å; K262-D307 IonicContact NZ-OD1 3.46Å; K262-D307 PolarHBondContact NZ-OD1 3.03Å; S305-D307 PolarHBondContact O-N 3.34Å; D307-R311 WeakPolarHBondContact O-CB 3.11Å; D307-R311 VanDerWaalsContact O-CG 3.24Å; D307-R311 WeakPolarHBondContact O-CG 3.45Å; D307-R311 PolarHBondContact O-N 3.21Å |
| 308 | A | 86.1 | Confident | 72.2 | Confident | 51 Ų | 51 | 81.8 Ų | 81.8 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.7 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S305 F310 R311 D312 | S305-A308 WeakPolarHBondContact O-CA 3.4Å; S305-A308 WeakPolarHBondContact O-CB 3.42Å; S305-A308 PolarHBondContact O-N 2.99Å; A308-F310 VanDerWaalsContact C-N 3.32Å; A308-R311 PolarHBondContact O-N 2.95Å; A308-D312 PolarHBondContact O-N 3.25Å |
| 309 | L | 84.3 | Confident | 74.4 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.8 | -38.9 | 173.8 | -68 | 168.8 | 0 | 0 | 0 | 111.2 | D312 K313 | L309-D312 WeakPolarHBondContact O-CB 3.36Å; L309-D312 PolarHBondContact O-N 2.85Å; L309-K313 PolarHBondContact O-N 3.09Å |
| 310 | F | 88.3 | Confident | 76.9 | Confident | 17 Ų | 17 | 83 Ų | 83 | 8% | 0.075 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.7 | -175.1 | -111 | 0 | 0 | 0 | 111.7 | L258 L261 K262 F267 L268 L271 D306 A308 D312 K313 L314 | L258-F310 HydrophobicContact CD1-CD1 3.73Å; L258-F310 HydrophobicContact CD1-CE1 3.76Å; L258-F310 HydrophobicContact CG-CD1 4.04Å; L258-F310 HydrophobicContact CG-CE1 4.2Å; L261-F310 HydrophobicContact CD2-CE1 3.98Å; L261-F310 HydrophobicContact CD2-CZ 4.2Å; L261-F310 HydrophobicContact CG-CE1 4.32Å; L261-F310 HydrophobicContact CG-CZ 4.18Å; K262-F310 HydrophobicContact CD-CD1 4.23Å; K262-F310 HydrophobicContact CD-CE1 4.32Å; K262-F310 HydrophobicContact CD-CG 4.47Å; K262-F310 HydrophobicContact CG-CD1 4Å; K262-F310 HydrophobicContact CG-CD2 4.29Å; K262-F310 HydrophobicContact CG-CE1 3.63Å; K262-F310 HydrophobicContact CG-CE2 3.97Å; K262-F310 HydrophobicContact CG-CG 4.3Å; K262-F310 HydrophobicContact CG-CZ 3.61Å; F267-F310 HydrophobicContact CE1-CZ 4Å; L268-F310 HydrophobicContact CD1-CE2 3.79Å; L268-F310 HydrophobicContact CD1-CZ 4.33Å; L271-F310 HydrophobicContact CD2-CD2 4.39Å; L271-F310 HydrophobicContact CD2-CE2 3.78Å; L271-F310 HydrophobicContact CD2-CZ 4.36Å; D306-F310 VanDerWaalsContact O-CB 3.32Å; D306-F310 WeakPolarHBondContact O-CB 3.44Å; D306-F310 PolarHBondContact O-N 3.39Å; A308-F310 VanDerWaalsContact C-N 3.32Å; F310-D312 VanDerWaalsContact C-N 3.28Å; F310-D312 PolarHBondContact O-N 3.37Å; F310-K313 WeakPolarHBondContact O-CA 3.03Å; F310-K313 WeakPolarHBondContact O-CB 3.47Å; F310-K313 PolarHBondContact O-N 3.45Å; F310-K313 VanDerWaalsContact O-N 3.09Å; F310-L314 HydrophobicContact CD1-CD1 3.56Å; F310-L314 HydrophobicContact CD2-CD1 3.97Å; F310-L314 HydrophobicContact CE1-CD1 3.37Å; F310-L314 HydrophobicContact CE1-CD2 4.37Å; F310-L314 HydrophobicContact CE1-CG 4.5Å; F310-L314 HydrophobicContact CE2-CD1 3.79Å; F310-L314 HydrophobicContact CG-CD1 3.87Å; F310-L314 HydrophobicContact CZ-CD1 3.5Å; F310-L314 WeakPolarHBondContact O-CD1 3.19Å; F310-L314 PolarHBondContact O-N 3.5Å |
| 311 | R | 88.4 | Confident | 79.1 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 174.3 | -80 | 175.1 | 158.4 | -166.5 | 2 | 112.5 | L252 D307 A308 L314 K315 | L252-R311 PolarHBondContact O-NH2 3.13Å; D307-R311 WeakPolarHBondContact O-CB 3.11Å; D307-R311 VanDerWaalsContact O-CG 3.24Å; D307-R311 WeakPolarHBondContact O-CG 3.45Å; D307-R311 PolarHBondContact O-N 3.21Å; A308-R311 PolarHBondContact O-N 2.95Å; R311-L314 WeakPolarHBondContact O-CB 3.38Å; R311-L314 PolarHBondContact O-N 2.81Å; R311-K315 PolarHBondContact O-N 2.98Å |
| 312 | D | 88.4 | Confident | 81.5 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 173.8 | -167 | 89.3 | 0 | 0 | 0 | 111.4 | A308 L309 F310 L314 K315 | A308-D312 PolarHBondContact O-N 3.25Å; L309-D312 WeakPolarHBondContact O-CB 3.36Å; L309-D312 PolarHBondContact O-N 2.85Å; F310-D312 VanDerWaalsContact C-N 3.28Å; F310-D312 PolarHBondContact O-N 3.37Å; D312-L314 VanDerWaalsContact C-N 3.27Å; D312-L314 PolarHBondContact O-N 3.44Å; D312-K315 VanDerWaalsContact CG-NZ 3.31Å; D312-K315 WeakPolarHBondContact O-CE 3.41Å; D312-K315 WeakPolarHBondContact O-CG 2.84Å; D312-K315 PolarHBondContact O-N 2.96Å; D312-K315 VanDerWaalsContact O-N 3.16Å; D312-K315 WeakPolarHBondContact OD1-CE 3.49Å; D312-K315 IonicContact OD1-NZ 2.79Å; D312-K315 PolarHBondContact OD1-NZ 3.2Å; D312-K315 VanDerWaalsContact OD2-CE 3.23Å; D312-K315 WeakPolarHBondContact OD2-CE 3.39Å; D312-K315 IonicContact OD2-NZ 2.98Å; D312-K315 PolarHBondContact OD2-NZ 3.44Å |
| 313 | K | 89.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 176.4 | -163 | 167.7 | -170.8 | -92.4 | 0 | 112.4 | L271 E272 L309 F310 K315 | L271-K313 HydrophobicContact CD1-CG 4.4Å; L271-K313 HydrophobicContact CD2-CD 4.32Å; L271-K313 HydrophobicContact CD2-CG 4.13Å; L271-K313 HydrophobicContact CG-CD 4.4Å; L271-K313 HydrophobicContact CG-CG 4.02Å; L271-K313 PolarHBondContact O-NZ 3.14Å; E272-K313 VanDerWaalsContact N-NZ 3.15Å; L309-K313 PolarHBondContact O-N 3.09Å; F310-K313 WeakPolarHBondContact O-CA 3.03Å; F310-K313 WeakPolarHBondContact O-CB 3.47Å; F310-K313 PolarHBondContact O-N 3.45Å; F310-K313 VanDerWaalsContact O-N 3.09Å; K313-K315 VanDerWaalsContact C-N 3.32Å; K313-K315 PolarHBondContact O-N 2.69Å |
| 314 | L | 90.9 | Very high | 85.9 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 176.7 | -93.6 | 68.8 | 0 | 0 | 0 | 112.1 | L252 L261 F267 L271 F310 R311 D312 H316 M317 L325 | L252-L314 HydrophobicContact CD2-CD2 3.53Å; L261-L314 HydrophobicContact CD2-CD2 3.74Å; L261-L314 HydrophobicContact CD2-CG 4.5Å; F267-L314 HydrophobicContact CE1-CD1 4.48Å; F267-L314 HydrophobicContact CZ-CG 4.46Å; L271-L314 HydrophobicContact CD2-CD1 3.78Å; F310-L314 HydrophobicContact CD1-CD1 3.56Å; F310-L314 HydrophobicContact CD2-CD1 3.97Å; F310-L314 HydrophobicContact CE1-CD1 3.37Å; F310-L314 HydrophobicContact CE1-CD2 4.37Å; F310-L314 HydrophobicContact CE1-CG 4.5Å; F310-L314 HydrophobicContact CE2-CD1 3.79Å; F310-L314 HydrophobicContact CG-CD1 3.87Å; F310-L314 HydrophobicContact CZ-CD1 3.5Å; F310-L314 WeakPolarHBondContact O-CD1 3.19Å; F310-L314 PolarHBondContact O-N 3.5Å; R311-L314 WeakPolarHBondContact O-CB 3.38Å; R311-L314 PolarHBondContact O-N 2.81Å; D312-L314 VanDerWaalsContact C-N 3.27Å; D312-L314 PolarHBondContact O-N 3.44Å; L314-H316 PolarHBondContact O-N 3.35Å; L314-M317 VanDerWaalsContact CA-CE 3.47Å; L314-M317 HydrophobicContact CB-CE 3.53Å; L314-M317 HydrophobicContact CD2-CE 4.16Å; L314-M317 HydrophobicContact CG-CE 3.44Å; L314-M317 VanDerWaalsContact CG-CE 3.44Å; L314-M317 WeakPolarHBondContact O-CB 3.4Å; L314-M317 WeakPolarHBondContact O-CE 3.24Å; L314-M317 VanDerWaalsContact O-CG 3.28Å; L314-M317 WeakPolarHBondContact O-CG 3.47Å; L314-M317 PolarHBondContact O-N 3.24Å; L314-L325 HydrophobicContact CD2-CD1 3.9Å; L314-L325 HydrophobicContact CG-CD1 4.42Å |
| 315 | K | 87.4 | Confident | 87.8 | Confident | 115 Ų | 115 | 71.4 Ų | 71.4 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | -174.4 | 95.2 | -175.3 | 112.1 | 160.4 | 0 | 112.4 | R311 D312 K313 R322 | R311-K315 PolarHBondContact O-N 2.98Å; D312-K315 VanDerWaalsContact CG-NZ 3.31Å; D312-K315 WeakPolarHBondContact O-CE 3.41Å; D312-K315 WeakPolarHBondContact O-CG 2.84Å; D312-K315 PolarHBondContact O-N 2.96Å; D312-K315 VanDerWaalsContact O-N 3.16Å; D312-K315 WeakPolarHBondContact OD1-CE 3.49Å; D312-K315 IonicContact OD1-NZ 2.79Å; D312-K315 PolarHBondContact OD1-NZ 3.2Å; D312-K315 VanDerWaalsContact OD2-CE 3.23Å; D312-K315 WeakPolarHBondContact OD2-CE 3.39Å; D312-K315 IonicContact OD2-NZ 2.98Å; D312-K315 PolarHBondContact OD2-NZ 3.44Å; K313-K315 VanDerWaalsContact C-N 3.32Å; K313-K315 PolarHBondContact O-N 2.69Å; K315-R322 PolarHBondContact O-NH2 3.44Å |
| 316 | H | 85.1 | Confident | 89.1 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 10.7 | -175.9 | -56.7 | 121.3 | 0 | 0 | 0 | 113.9 | Y278 L314 | Y278-H316 WeakPolarHBondContact CD2-O 3.3Å; L314-H316 PolarHBondContact O-N 3.35Å |
| 317 | M | 89.6 | Confident | 89.7 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.059 | 33% | 0.334 | C | S | . | . | trans | -62.8 | 149.3 | 180 | 77.2 | 176.9 | 72.2 | 0 | 0 | 112.3 | F267 L271 L314 T321 R322 L325 | F267-M317 HydrophobicContact CE2-CE 4.46Å; F267-M317 HydrophobicContact CE2-SD 4.29Å; F267-M317 HydrophobicContact CZ-CE 4.05Å; F267-M317 HydrophobicContact CZ-SD 4.44Å; L271-M317 HydrophobicContact CD1-CB 3.41Å; L271-M317 VanDerWaalsContact CD1-CB 3.41Å; L271-M317 HydrophobicContact CD1-CE 4.32Å; L314-M317 VanDerWaalsContact CA-CE 3.47Å; L314-M317 HydrophobicContact CB-CE 3.53Å; L314-M317 HydrophobicContact CD2-CE 4.16Å; L314-M317 HydrophobicContact CG-CE 3.44Å; L314-M317 VanDerWaalsContact CG-CE 3.44Å; L314-M317 WeakPolarHBondContact O-CB 3.4Å; L314-M317 WeakPolarHBondContact O-CE 3.24Å; L314-M317 VanDerWaalsContact O-CG 3.28Å; L314-M317 WeakPolarHBondContact O-CG 3.47Å; L314-M317 PolarHBondContact O-N 3.24Å; M317-T321 HydrophobicContact CB-CG2 3.95Å; M317-T321 HydrophobicContact CG-CG2 4.43Å; M317-T321 HydrophobicContact SD-CG2 4.03Å; M317-R322 HydrophobicContact CG-CB 4Å; M317-R322 WeakPolarHBondContact SD-CA 3.16Å; M317-R322 HydrophobicContact SD-CB 3.86Å; M317-R322 HydrophobicContact SD-CG 4.34Å; M317-R322 PolarHBondContact SD-N 3.37Å; M317-R322 VanDerWaalsContact SD-N 3.43Å; M317-L325 HydrophobicContact CE-CD1 3.46Å; M317-L325 VanDerWaalsContact CE-CD1 3.46Å; M317-L325 HydrophobicContact SD-CB 4.28Å; M317-L325 HydrophobicContact SD-CD1 4.08Å | ||
| 318 | G | 90.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | trans | -71.9 | 166.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D274 S320 T321 R322 | D274-G318 WeakPolarHBondContact OD2-CA 3.39Å; D274-G318 PolarHBondContact OD2-N 3.48Å; G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 2.9Å; G318-T321 PolarHBondContact O-N 2.88Å; G318-R322 WeakPolarHBondContact O-CB 3.43Å; G318-R322 PolarHBondContact O-N 3.5Å | ||
| 319 | K | 91.4 | Very high | 90.4 | Very high | 186 Ų | 186 | 67 Ų | 67 | 81% | 0.809 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.9 | -36.5 | -175.2 | -61.3 | 178.6 | -178.6 | -179.3 | 0 | 113.1 | K323 | K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 PolarHBondContact O-N 2.87Å |
| 320 | S | 91.1 | Very high | 90.6 | Very high | 81 Ų | 81 | 68 Ų | 68 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.1 | -45.4 | 176 | 45 | 0 | 0 | 0 | 0 | 111.8 | G318 R322 K323 K324 | G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 2.9Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-K323 WeakPolarHBondContact O-CB 3.44Å; S320-K323 PolarHBondContact O-N 3.46Å; S320-K324 PolarHBondContact O-N 3.23Å |
| 321 | T | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 177 | -57.3 | 0 | 0 | 0 | 0 | 111 | F267 A270 L271 D274 M317 G318 K323 K324 L325 | F267-T321 HydrophobicContact CD2-CG2 3.81Å; F267-T321 HydrophobicContact CE2-CG2 3.42Å; F267-T321 VanDerWaalsContact CE2-CG2 3.42Å; F267-T321 HydrophobicContact CZ-CG2 4.09Å; A270-T321 HydrophobicContact CB-CG2 4.39Å; A270-T321 WeakPolarHBondContact CB-OG1 3.48Å; A270-T321 PolarHBondContact O-OG1 3.46Å; L271-T321 HydrophobicContact CB-CG2 3.89Å; L271-T321 HydrophobicContact CD1-CG2 3.98Å; D274-T321 WeakPolarHBondContact OD2-CB 3.34Å; D274-T321 PolarHBondContact OD2-OG1 3.04Å; M317-T321 HydrophobicContact CB-CG2 3.95Å; M317-T321 HydrophobicContact CG-CG2 4.43Å; M317-T321 HydrophobicContact SD-CG2 4.03Å; G318-T321 PolarHBondContact O-N 2.88Å; T321-K323 VanDerWaalsContact C-N 3.35Å; T321-K323 PolarHBondContact O-N 3.2Å; T321-K324 WeakPolarHBondContact O-CB 3.11Å; T321-K324 PolarHBondContact O-N 3.18Å; T321-L325 PolarHBondContact O-N 3.26Å |
| 322 | R | 91.9 | Very high | 90.5 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 171.5 | -168.5 | -179.6 | -66.5 | -96.2 | -5.9 | 111.7 | K315 M317 G318 S320 K324 L325 F326 | K315-R322 PolarHBondContact O-NH2 3.44Å; M317-R322 HydrophobicContact CG-CB 4Å; M317-R322 WeakPolarHBondContact SD-CA 3.16Å; M317-R322 HydrophobicContact SD-CB 3.86Å; M317-R322 HydrophobicContact SD-CG 4.34Å; M317-R322 PolarHBondContact SD-N 3.37Å; M317-R322 VanDerWaalsContact SD-N 3.43Å; G318-R322 WeakPolarHBondContact O-CB 3.43Å; G318-R322 PolarHBondContact O-N 3.5Å; S320-R322 VanDerWaalsContact C-N 3.34Å; R322-K324 VanDerWaalsContact C-N 3.34Å; R322-K324 PolarHBondContact O-N 3.38Å; R322-L325 WeakPolarHBondContact O-CB 3.5Å; R322-L325 PolarHBondContact O-N 3.21Å; R322-L325 VanDerWaalsContact O-N 3.15Å; R322-F326 HydrophobicContact CG-CD2 4.19Å; R322-F326 HydrophobicContact CG-CE2 3.7Å; R322-F326 WeakPolarHBondContact O-CD2 3.17Å; R322-F326 PolarHBondContact O-N 3.45Å; R322-F326 VanDerWaalsContact O-N 3.11Å |
| 323 | K | 93.1 | Very high | 90.3 | Very high | 162 Ų | 162 | 62.4 Ų | 62.4 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.3 | -40.5 | 174.4 | -171.7 | 177.7 | 178.1 | 179.4 | 0 | 112.4 | K319 S320 T321 L325 F326 E327 | K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 PolarHBondContact O-N 2.87Å; S320-K323 WeakPolarHBondContact O-CB 3.44Å; S320-K323 PolarHBondContact O-N 3.46Å; T321-K323 VanDerWaalsContact C-N 3.35Å; T321-K323 PolarHBondContact O-N 3.2Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.32Å; K323-F326 PolarHBondContact O-N 2.92Å; K323-E327 PolarHBondContact O-N 2.92Å; K323-E327 VanDerWaalsContact O-N 3.13Å |
| 324 | K | 92.8 | Very high | 89.9 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 172.8 | -78.7 | -93.8 | -165.8 | 179.3 | 0 | 111.5 | E266 F267 S320 T321 R322 F326 E327 I328 | E266-K324 IonicContact OE1-NZ 2.92Å; E266-K324 PolarHBondContact OE1-NZ 2.98Å; E266-K324 IonicContact OE2-NZ 2.57Å; E266-K324 PolarHBondContact OE2-NZ 2.72Å; F267-K324 HydrophobicContact CD2-CB 4.12Å; S320-K324 PolarHBondContact O-N 3.23Å; T321-K324 WeakPolarHBondContact O-CB 3.11Å; T321-K324 PolarHBondContact O-N 3.18Å; R322-K324 VanDerWaalsContact C-N 3.34Å; R322-K324 PolarHBondContact O-N 3.38Å; K324-F326 PolarHBondContact O-N 2.8Å; K324-E327 PolarHBondContact O-N 3.41Å; K324-I328 WeakPolarHBondContact O-CG1 3.46Å; K324-I328 PolarHBondContact O-N 3.43Å |
| 325 | L | 93.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.1 | -174.3 | 155 | 0 | 0 | 0 | 111.5 | I248 L261 F267 L314 M317 T321 R322 K323 E327 I328 A329 | I248-L325 HydrophobicContact CD1-CD2 3.38Å; I248-L325 HydrophobicContact CG1-CD2 4.41Å; I248-L325 HydrophobicContact CG2-CD2 3.54Å; L261-L325 HydrophobicContact CD2-CD1 4.09Å; L261-L325 HydrophobicContact CD2-CG 4.48Å; F267-L325 HydrophobicContact CE2-CB 3.95Å; F267-L325 HydrophobicContact CZ-CD1 4.3Å; L314-L325 HydrophobicContact CD2-CD1 3.9Å; L314-L325 HydrophobicContact CG-CD1 4.42Å; M317-L325 HydrophobicContact CE-CD1 3.46Å; M317-L325 VanDerWaalsContact CE-CD1 3.46Å; M317-L325 HydrophobicContact SD-CB 4.28Å; M317-L325 HydrophobicContact SD-CD1 4.08Å; T321-L325 PolarHBondContact O-N 3.26Å; R322-L325 WeakPolarHBondContact O-CB 3.5Å; R322-L325 PolarHBondContact O-N 3.21Å; R322-L325 VanDerWaalsContact O-N 3.15Å; K323-L325 VanDerWaalsContact C-N 3.33Å; K323-L325 PolarHBondContact O-N 3.32Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 2.8Å; L325-I328 PolarHBondContact O-N 2.94Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.26Å |
| 326 | F | 92 | Very high | 88.3 | Confident | 50 Ų | 50 | 69 Ų | 69 | 22% | 0.219 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 176.1 | -75.3 | -76.7 | 0 | 0 | 0 | 112.8 | E244 D245 I248 R322 K323 K324 A329 R330 | E244-F326 HydrophobicContact CB-CE1 4.45Å; E244-F326 HydrophobicContact CG-CD1 3.73Å; E244-F326 HydrophobicContact CG-CE1 3.72Å; D245-F326 WeakPolarHBondContact OD1-CZ 3.41Å; I248-F326 HydrophobicContact CD1-CD1 3.42Å; I248-F326 VanDerWaalsContact CD1-CD1 3.42Å; I248-F326 HydrophobicContact CD1-CE1 3.76Å; I248-F326 HydrophobicContact CD1-CG 4.12Å; I248-F326 HydrophobicContact CG1-CD1 3.73Å; I248-F326 HydrophobicContact CG1-CE1 3.55Å; I248-F326 HydrophobicContact CG1-CZ 4.47Å; R322-F326 HydrophobicContact CG-CD2 4.19Å; R322-F326 HydrophobicContact CG-CE2 3.7Å; R322-F326 WeakPolarHBondContact O-CD2 3.17Å; R322-F326 PolarHBondContact O-N 3.45Å; R322-F326 VanDerWaalsContact O-N 3.11Å; K323-F326 PolarHBondContact O-N 2.92Å; K324-F326 PolarHBondContact O-N 2.8Å; F326-A329 PolarHBondContact O-N 3.01Å; F326-R330 WeakPolarHBondContact O-CB 3.21Å; F326-R330 PolarHBondContact O-N 3.39Å |
| 327 | E | 92.6 | Very high | 87.3 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -42 | 176.9 | -167 | 76.8 | 104 | 0 | 0 | 111.9 | K323 K324 L325 A329 R330 T331 | K323-E327 PolarHBondContact O-N 2.92Å; K323-E327 VanDerWaalsContact O-N 3.13Å; K324-E327 PolarHBondContact O-N 3.41Å; L325-E327 VanDerWaalsContact C-N 3.31Å; L325-E327 PolarHBondContact O-N 2.8Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.24Å; E327-R330 WeakPolarHBondContact O-CB 3.48Å; E327-R330 PolarHBondContact O-N 3.28Å; E327-R330 IonicContact OE2-CZ 3.85Å; E327-R330 IonicContact OE2-NH1 3.48Å; E327-R330 PolarHBondContact OE2-NH1 2.97Å; E327-T331 WeakPolarHBondContact O-CG2 3.38Å; E327-T331 PolarHBondContact O-N 2.87Å; E327-T331 PolarHBondContact O-OG1 3.41Å; E327-T331 VanDerWaalsContact O-OG1 3.13Å |
| 328 | I | 92.3 | Very high | 85.9 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.8 | -63.9 | 167.7 | 0 | 0 | 0 | 110 | F257 L261 N264 F267 K324 L325 R330 T331 F332 | F257-I328 HydrophobicContact CE2-CG2 4.03Å; L261-I328 HydrophobicContact CD1-CB 4.43Å; L261-I328 HydrophobicContact CD1-CD1 3.7Å; L261-I328 HydrophobicContact CD1-CG2 4.22Å; N264-I328 HydrophobicContact CB-CD1 3.94Å; F267-I328 HydrophobicContact CB-CD1 4.09Å; F267-I328 HydrophobicContact CD2-CD1 4.45Å; F267-I328 HydrophobicContact CG-CD1 4.34Å; K324-I328 WeakPolarHBondContact O-CG1 3.46Å; K324-I328 PolarHBondContact O-N 3.43Å; L325-I328 PolarHBondContact O-N 2.94Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.2Å; I328-T331 WeakPolarHBondContact CA-OG1 3.25Å; I328-T331 PolarHBondContact O-N 3.24Å; I328-T331 PolarHBondContact O-OG1 3.48Å; I328-F332 VanDerWaalsContact O-CB 3.24Å; I328-F332 WeakPolarHBondContact O-CB 3.48Å; I328-F332 PolarHBondContact O-N 2.87Å |
| 329 | A | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 90.3 Ų | 90.3 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R247 I248 F251 F257 L325 F326 E327 S333 | R247-A329 PolarHBondContact NH2-O 3.48Å; R247-A329 VanDerWaalsContact NH2-O 3.14Å; I248-A329 HydrophobicContact CD1-CB 3.35Å; F251-A329 HydrophobicContact CD2-CB 3.92Å; F251-A329 HydrophobicContact CE2-CB 4.32Å; F257-A329 HydrophobicContact CE2-CB 3.97Å; F257-A329 HydrophobicContact CZ-CB 3.92Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.26Å; F326-A329 PolarHBondContact O-N 3.01Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.24Å; A329-S333 WeakPolarHBondContact O-CB 3.34Å; A329-S333 PolarHBondContact O-N 2.96Å; A329-S333 PolarHBondContact O-OG 3.43Å |
| 330 | R | 89.7 | Confident | 82.5 | Confident | 130 Ų | 130 | 90.2 Ų | 90.2 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -55.6 | 173.2 | -173.5 | -175.7 | -76 | 149.8 | -10.9 | 111.3 | F326 E327 I328 F332 S333 E334 | F326-R330 WeakPolarHBondContact O-CB 3.21Å; F326-R330 PolarHBondContact O-N 3.39Å; E327-R330 WeakPolarHBondContact O-CB 3.48Å; E327-R330 PolarHBondContact O-N 3.28Å; E327-R330 IonicContact OE2-CZ 3.85Å; E327-R330 IonicContact OE2-NH1 3.48Å; E327-R330 PolarHBondContact OE2-NH1 2.97Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.2Å; R330-F332 VanDerWaalsContact C-N 3.31Å; R330-F332 PolarHBondContact O-N 3.4Å; R330-S333 WeakPolarHBondContact O-CB 3.04Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 VanDerWaalsContact O-N 3.09Å; R330-E334 WeakPolarHBondContact O-CG 3.45Å; R330-E334 PolarHBondContact O-N 3.42Å |
| 331 | T | 87.5 | Confident | 80.5 | Confident | 77 Ų | 77 | 90.4 Ų | 90.4 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 179.4 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | E327 I328 E334 R335 | E327-T331 WeakPolarHBondContact O-CG2 3.38Å; E327-T331 PolarHBondContact O-N 2.87Å; E327-T331 PolarHBondContact O-OG1 3.41Å; E327-T331 VanDerWaalsContact O-OG1 3.13Å; I328-T331 WeakPolarHBondContact CA-OG1 3.25Å; I328-T331 PolarHBondContact O-N 3.24Å; I328-T331 PolarHBondContact O-OG1 3.48Å; T331-E334 PolarHBondContact O-N 3.24Å; T331-R335 WeakPolarHBondContact O-CB 3.38Å; T331-R335 PolarHBondContact O-N 3.01Å |
| 332 | F | 87.2 | Confident | 78.4 | Confident | 16 Ų | 16 | 98.9 Ų | 98.9 | 7% | 0.07 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.7 | -173.8 | -95.4 | 0 | 0 | 0 | 112.4 | F251 E256 F257 I328 R330 R335 T336 | F251-F332 AromaticContact CD1-CD1 3.65Å; F251-F332 HydrophobicContact CD1-CD1 3.65Å; F251-F332 AromaticContact CD1-CE1 3.7Å; F251-F332 HydrophobicContact CD1-CE1 3.7Å; F251-F332 AromaticContact CE1-CD1 3.55Å; F251-F332 HydrophobicContact CE1-CD1 3.55Å; F251-F332 AromaticContact CE1-CE1 3.73Å; F251-F332 HydrophobicContact CE1-CE1 3.73Å; F251-F332 HydrophobicContact CG-CD1 4.44Å; F251-F332 HydrophobicContact CZ-CD1 4.23Å; E256-F332 HydrophobicContact CB-CZ 4.43Å; F257-F332 HydrophobicContact CB-CD1 4.42Å; F257-F332 HydrophobicContact CB-CE1 4.08Å; F257-F332 HydrophobicContact CB-CE2 4.25Å; F257-F332 HydrophobicContact CB-CZ 3.99Å; F257-F332 HydrophobicContact CD2-CB 3.97Å; F257-F332 AromaticContact CD2-CD1 3.91Å; F257-F332 HydrophobicContact CD2-CD1 3.91Å; F257-F332 HydrophobicContact CD2-CD2 4.04Å; F257-F332 HydrophobicContact CD2-CE1 4.41Å; F257-F332 AromaticContact CD2-CG 3.71Å; F257-F332 HydrophobicContact CD2-CG 3.71Å; F257-F332 HydrophobicContact CE2-CB 4.22Å; F257-F332 HydrophobicContact CE2-CG 4.44Å; I328-F332 VanDerWaalsContact O-CB 3.24Å; I328-F332 WeakPolarHBondContact O-CB 3.48Å; I328-F332 PolarHBondContact O-N 2.87Å; R330-F332 VanDerWaalsContact C-N 3.31Å; R330-F332 PolarHBondContact O-N 3.4Å; F332-R335 PolarHBondContact O-N 2.79Å; F332-T336 HydrophobicContact CD1-CG2 4.18Å; F332-T336 HydrophobicContact CE1-CG2 3.83Å; F332-T336 HydrophobicContact CZ-CG2 4.02Å; F332-T336 WeakPolarHBondContact O-CG2 3.37Å; F332-T336 PolarHBondContact O-N 3.48Å; F332-T336 PolarHBondContact O-OG1 2.73Å |
| 333 | S | 84.1 | Confident | 76.4 | Confident | 4 Ų | 4 | 104 Ų | 104 | 3% | 0.028 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 176 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | R247 F251 A329 R330 R335 T336 K337 | R247-S333 VanDerWaalsContact CZ-OG 3.23Å; R247-S333 PolarHBondContact NE-OG 3.45Å; R247-S333 PolarHBondContact NH2-OG 2.59Å; F251-S333 WeakPolarHBondContact CE2-OG 3.36Å; F251-S333 WeakPolarHBondContact CZ-OG 3.42Å; A329-S333 WeakPolarHBondContact O-CB 3.34Å; A329-S333 PolarHBondContact O-N 2.96Å; A329-S333 PolarHBondContact O-OG 3.43Å; R330-S333 WeakPolarHBondContact O-CB 3.04Å; R330-S333 PolarHBondContact O-N 3.06Å; R330-S333 VanDerWaalsContact O-N 3.09Å; S333-R335 VanDerWaalsContact C-N 3.32Å; S333-T336 WeakPolarHBondContact CA-OG1 3.28Å; S333-T336 PolarHBondContact O-N 3.41Å; S333-T336 PolarHBondContact O-OG1 3.14Å; S333-K337 VanDerWaalsContact O-CB 3.24Å; S333-K337 WeakPolarHBondContact O-CB 3.47Å; S333-K337 WeakPolarHBondContact O-CG 3.21Å; S333-K337 PolarHBondContact O-N 3.16Å |
| 334 | E | 80.4 | Confident | 74.6 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.3 | -70.8 | 179 | 85.6 | 0 | 0 | 110.8 | R330 T331 T336 R338 | R330-E334 WeakPolarHBondContact O-CG 3.45Å; R330-E334 PolarHBondContact O-N 3.42Å; T331-E334 PolarHBondContact O-N 3.24Å; E334-T336 PolarHBondContact O-N 3.03Å; E334-R338 WeakPolarHBondContact O-CG 3.17Å; E334-R338 PolarHBondContact O-N 3.27Å |
| 335 | R | 75.9 | Confident | 72.3 | Confident | 169 Ų | 169 | 107.1 Ų | 107.1 | 64% | 0.638 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 176.7 | -168.5 | 175.5 | -167.2 | 172.2 | 2.2 | 112.6 | E260 T331 F332 S333 | E260-R335 IonicContact OE2-NH1 2.71Å; E260-R335 PolarHBondContact OE2-NH1 2.95Å; T331-R335 WeakPolarHBondContact O-CB 3.38Å; T331-R335 PolarHBondContact O-N 3.01Å; F332-R335 PolarHBondContact O-N 2.79Å; S333-R335 VanDerWaalsContact C-N 3.32Å |
| 336 | T | 69.1 | Low | 70 | Confident | 58 Ų | 58 | 113.3 Ų | 113.3 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80 | -34.3 | -178.1 | 52.3 | 0 | 0 | 0 | 0 | 113 | F332 S333 E334 R338 R339 | F332-T336 HydrophobicContact CD1-CG2 4.18Å; F332-T336 HydrophobicContact CE1-CG2 3.83Å; F332-T336 HydrophobicContact CZ-CG2 4.02Å; F332-T336 WeakPolarHBondContact O-CG2 3.37Å; F332-T336 PolarHBondContact O-N 3.48Å; F332-T336 PolarHBondContact O-OG1 2.73Å; S333-T336 WeakPolarHBondContact CA-OG1 3.28Å; S333-T336 PolarHBondContact O-N 3.41Å; S333-T336 PolarHBondContact O-OG1 3.14Å; E334-T336 PolarHBondContact O-N 3.03Å; T336-R338 PolarHBondContact O-N 3.5Å; T336-R339 PolarHBondContact O-N 2.89Å |
| 337 | K | 64.5 | Low | 68 | Low | 141 Ų | 141 | 115.4 Ų | 115.4 | 61% | 0.613 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -31.9 | 175.4 | -74.2 | 174.8 | -179.8 | -177.3 | 0 | 113.1 | S333 R339 K340 | S333-K337 VanDerWaalsContact O-CB 3.24Å; S333-K337 WeakPolarHBondContact O-CB 3.47Å; S333-K337 WeakPolarHBondContact O-CG 3.21Å; S333-K337 PolarHBondContact O-N 3.16Å; K337-R339 PolarHBondContact O-N 3.35Å; K337-R339 VanDerWaalsContact O-N 3.15Å; K337-K340 PolarHBondContact O-N 3.34Å; K337-K340 VanDerWaalsContact O-N 3.1Å |
| 338 | R | 58.3 | Low | 65.8 | Low | 193 Ų | 193 | 119.5 Ų | 119.5 | 73% | 0.728 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.7 | 178.6 | -68.5 | -79.6 | 171.4 | -177.8 | -2 | 113.8 | E334 T336 | E334-R338 WeakPolarHBondContact O-CG 3.17Å; E334-R338 PolarHBondContact O-N 3.27Å; T336-R338 PolarHBondContact O-N 3.5Å |
| 339 | R | 57.2 | Low | 63.8 | Low | 220 Ų | 220 | 125.9 Ų | 125.9 | 83% | 0.83 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -16.3 | 174.5 | -61.8 | -178.8 | 73.5 | 166 | 0.6 | 113.7 | T336 K337 | T336-R339 PolarHBondContact O-N 2.89Å; K337-R339 PolarHBondContact O-N 3.35Å; K337-R339 VanDerWaalsContact O-N 3.15Å |
| 340 | K | 54.2 | Low | 61.8 | Low | 184 Ų | 184 | 133 Ų | 133 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -94.9 | -10.1 | 179.7 | -92.3 | 166.4 | 174.6 | 170.3 | 0 | 115 | K337 | K337-K340 PolarHBondContact O-N 3.34Å; K337-K340 VanDerWaalsContact O-N 3.1Å |
| 341 | S | 48.5 | Very low | 59.9 | Low | 86 Ų | 86 | 130.9 Ų | 130.9 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 3.3 | -174.2 | -167.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 342 | K | 49.6 | Very low | 57.6 | Low | 179 Ų | 179 | 133.2 Ų | 133.2 | 78% | 0.778 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -1.2 | 178.1 | -84.9 | -175.4 | 175.8 | 179.6 | 0 | 115 | ||
| 343 | R | 51.1 | Low | 55.5 | Low | 218 Ų | 218 | 137.1 Ų | 137.1 | 82% | 0.823 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -94.2 | -0.2 | 179.7 | -72.8 | -167 | -160.7 | 137.4 | 1.7 | 115.7 | ||
| 344 | K | 54.5 | Low | 53.9 | Low | 186 Ų | 186 | 144.7 Ų | 144.7 | 81% | 0.809 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.4 | -4.6 | -177.7 | -74.8 | -173.1 | 171.4 | -173.8 | 0 | 115.3 | ||
| 345 | T | 45.4 | Very low | 52.4 | Low | 114 Ų | 114 | 144.6 Ų | 144.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -109.1 | -1.4 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 346 | L | 44 | Very low | 51.1 | Low | 137 Ų | 137 | 142.4 Ų | 142.4 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -112.4 | 34.2 | 174.5 | -147.8 | -165.6 | 0 | 0 | 0 | 111.5 | ||
| 347 | T | 49.7 | Very low | 50.1 | Low | 94 Ų | 94 | 144.5 Ų | 144.5 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -117.2 | -6.7 | 169.7 | 31 | 0 | 0 | 0 | 0 | 112.3 | ||
| 348 | H | 46.7 | Very low | 49.5 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -97.6 | 3.5 | -177.1 | -130.4 | -66.2 | 0 | 0 | 0 | 114.7 | ||
| 349 | L | 51.8 | Low | 49.1 | Very low | 151 Ų | 151 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -118.5 | 2.5 | -179 | -85.6 | 104.4 | 0 | 0 | 0 | 115 | ||
| 350 | L | 47.5 | Very low | 48.4 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -133.4 | 114.2 | 171.2 | -159.1 | 65.4 | 0 | 0 | 0 | 108.7 | ||
| 351 | G | 51.3 | Low | 48 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -50.8 | 129.5 | -161 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 352 | T | 39.5 | Very low | 47.8 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -110.2 | 116 | 156.7 | 29.3 | 0 | 0 | 0 | 0 | 107.2 | D354 | T352-D354 PolarHBondContact O-N 3.41Š| ||
| 353 | A | 41.5 | Very low | 47.5 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 125.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S355 | A353-S355 PolarHBondContact O-N 3.35Š| ||
| 354 | D | 51.5 | Low | 47.2 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -73.7 | 92 | 161.5 | -70.3 | -39 | 0 | 0 | 0 | 108.5 | T352 | T352-D354 PolarHBondContact O-N 3.41Š| ||
| 355 | S | 48.5 | Very low | 46.4 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -173.6 | 114.5 | 162.4 | -89.7 | 0 | 0 | 0 | 0 | 112.1 | A353 | A353-S355 PolarHBondContact O-N 3.35Š| ||
| 356 | T | 49.4 | Very low | 45.8 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 167.4 | -5.8 | 141.2 | 41.8 | 0 | 0 | 0 | 0 | 111.9 | N358 | T356-N358 PolarHBondContact O-N 2.82Š|
| 357 | A | 48 | Very low | 45.7 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 5.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 358 | N | 51.4 | Low | 44.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 17.5 | 179.7 | -77.9 | -27.3 | 0 | 0 | 0 | 114.1 | T356 L360 | T356-N358 PolarHBondContact O-N 2.82Å; N358-L360 PolarHBondContact O-N 2.99Å |
| 359 | L | 48.8 | Very low | 44.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 19 | -170.9 | -81.5 | 165.1 | 0 | 0 | 0 | 115.4 | ||||
| 360 | L | 43.6 | Very low | 43.3 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -139.5 | 46.8 | -175 | -101.4 | 152.2 | 0 | 0 | 0 | 113.2 | N358 | N358-L360 PolarHBondContact O-N 2.99Š|
| 361 | E | 46.1 | Very low | 42.7 | Very low | 169 Ų | 169 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -176.5 | 101.4 | 166.4 | -107.1 | 174.3 | 171.1 | 0 | 0 | 101.6 | ||
| 362 | D | 44.8 | Very low | 41.7 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | -158.6 | 121.2 | 58.7 | -68.8 | -47.6 | 0 | 0 | 0 | 109 | |||||
| 363 | I | 42.2 | Very low | 41.5 | Very low | 174 Ų | 174 | 140 Ų | 140 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 120.9 | 159.6 | -120.8 | 158.1 | 0 | 0 | 0 | 104.7 | ||||
| 364 | E | 45.8 | Very low | 41.8 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 151 | 135.9 | 146.8 | -166.8 | 158 | -135.9 | 0 | 0 | 111.7 | ||||
| 365 | A | 37.1 | Very low | 41.1 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 83.4 | 83.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 366 | N | 31.7 | Very low | 40.6 | Very low | 154 Ų | 154 | 151.4 Ų | 151.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -67.4 | 162 | 139.7 | -146.6 | 23 | 0 | 0 | 0 | 108.3 | ||||
| 367 | P | 41.8 | Very low | 40 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | cis | -149.7 | 179.7 | 26.4 | 42.7 | -20 | 0 | 0 | 0 | 118.1 | ||||
| 368 | S | 27.8 | Very low | 39.4 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | 86.3 | 132.2 | 143.7 | -56.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 369 | E | 35.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 71.5 | 154.8 | 143.1 | -67.1 | 163.2 | -140.2 | 0 | 0 | 116.8 | ||||
| 370 | E | 35.8 | Very low | 38 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -175.6 | 159.9 | -13 | 172.9 | 172.7 | 165.8 | 0 | 0 | 103.5 | ||||
| 371 | D | 34.3 | Very low | 37.7 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -15.8 | 145.9 | 167.5 | -131.1 | -33.5 | 0 | 0 | 0 | 120.4 | ||||
| 372 | G | 30.9 | Very low | 37.4 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | 157.2 | 85.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 373 | K | 34.8 | Very low | 37.2 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -43.4 | -171.3 | 160.3 | -80 | 162.3 | 179.8 | 163.3 | 0 | 116.1 | ||||
| 374 | P | 49 | Very low | 37 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -138.7 | 174.3 | -41.1 | 35.2 | -17.5 | 0 | 0 | 0 | 113.6 | ||||
| 375 | R | 36.8 | Very low | 36.6 | Very low | 247 Ų | 247 | 145.1 Ų | 145.1 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | trans | -155.1 | 127.3 | 142.4 | -148.3 | 167.7 | 178 | 179.6 | -1.7 | 115.3 | ||||
| 376 | R | 37.5 | Very low | 36.9 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | trans | -43.4 | 164.5 | 173.4 | -63.2 | 167.5 | 175.9 | 160.1 | -2.2 | 115.6 | ||||
| 377 | G | 36.7 | Very low | 37.1 | Very low | 65 Ų | 65 | 148.7 Ų | 148.7 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | -162.1 | 147.9 | 13.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 378 | I | 35.8 | Very low | 37.7 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 79.5 | 104.6 | 83.3 | -66.9 | -179.7 | 0 | 0 | 0 | 113.8 | |||||
| 379 | L | 35.7 | Very low | 38.2 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | 61.7 | 122.8 | 132.4 | -64.2 | 178.4 | 0 | 0 | 0 | 120.3 | ||||
| 380 | Q | 34.5 | Very low | 38.3 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 82.9 | 142 | 84.1 | -133.9 | -165.5 | -9.5 | 0 | 0 | 108.9 | |||||
| 381 | E | 38.3 | Very low | 38.4 | Very low | 152 Ų | 152 | 157.6 Ų | 157.6 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | cis | -157.4 | 143.9 | 30.9 | -82.1 | 179.5 | 127.9 | 0 | 0 | 106.2 | ||||
| 382 | D | 38.6 | Very low | 38.7 | Very low | 139 Ų | 139 | 158.1 Ų | 158.1 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 74.1 | 133.1 | 73.8 | -114.5 | -1.6 | 0 | 0 | 0 | 116.1 | |||||
| 383 | K | 40.4 | Very low | 39.1 | Very low | 180 Ų | 180 | 163.1 Ų | 163.1 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 78.3 | 152.9 | 163.8 | -57.5 | -176.2 | -174.6 | -167.1 | 0 | 119.2 | ||||
| 384 | Q | 38.5 | Very low | 39.4 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | cis | 173.4 | 162.5 | -21.4 | -170.2 | 159.6 | 14.1 | 0 | 0 | 105.2 | ||||
| 385 | L | 38.4 | Very low | 38.7 | Very low | 144 Ų | 144 | 164.2 Ų | 164.2 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 74 | 144.9 | 166.5 | -75.8 | 116.3 | 0 | 0 | 0 | 116.4 | ||||
| 386 | D | 41.8 | Very low | 38.9 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -163 | 167.9 | -1.8 | -153.4 | -14.6 | 0 | 0 | 0 | 107.6 | ||||
| 387 | K | 35.5 | Very low | 39 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -70 | -163.5 | 174 | -58.9 | 175 | 176.1 | 176.4 | 0 | 111.7 | ||||
| 388 | P | 55.4 | Low | 39.2 | Very low | 119 Ų | 119 | 159.4 Ų | 159.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -124.5 | 177.8 | -21.3 | 21.8 | 3.8 | 0 | 0 | 0 | 111.2 | ||||
| 389 | K | 37.3 | Very low | 39.5 | Very low | 277 Ų | 277 | 160.6 Ų | 160.6 | 100% | 1.204 | 78% | 0.783 | S | S | * | * | -178.7 | 0 | 82.4 | -156.1 | 174.6 | -169.6 | 176.3 | 0 | 110.2 |
Retrieved 389 of 389 residues in 505.6 ms
(Link to these results)