| 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 | 33.7 | Very low | 38 | Very low | 236 Ų | 236 | 152.7 Ų | 152.7 | 100% | 1.163 | 86% | 0.858 | S | S | * | * | 0 | 130.5 | 0 | -66.7 | -166.5 | -146 | 0 | 0 | 107.9 | |||||
| 2 | Q | 33.4 | Very low | 38.6 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | 9.9 | 145.9 | 145.4 | -72.6 | 162.1 | -24.4 | 0 | 0 | 118.2 | ||||
| 3 | A | 34.1 | Very low | 38.5 | Very low | 85 Ų | 85 | 152.4 Ų | 152.4 | 70% | 0.702 | 85% | 0.846 | S | S | * | * | cis | -168.1 | 151.5 | 12 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | L | 37.6 | Very low | 38.4 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | 0.3 | 131.4 | 146.9 | -73.8 | 128.2 | 0 | 0 | 0 | 118.6 | ||||
| 5 | T | 37.2 | Very low | 38 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 75% | 0.748 | 85% | 0.847 | S | S | * | * | 171.3 | 130.8 | 101.3 | 35.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 6 | L | 41.8 | Very low | 38 | Very low | 159 Ų | 159 | 154 Ų | 154 | 83% | 0.832 | 85% | 0.846 | S | S | * | * | trans | 44.7 | 112.6 | 144.8 | -75.2 | 150 | 0 | 0 | 0 | 119.5 | ||||
| 7 | V | 38.9 | Very low | 37.7 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | 156.7 | 105.3 | 118 | 172.6 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 8 | G | 38.9 | Very low | 37.9 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 170.9 | 43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 9 | A | 43.9 | Very low | 37.4 | Very low | 91 Ų | 91 | 144.5 Ų | 144.5 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -167.6 | 102.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | F | 35.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 163.1 | 74.3 | 151.1 | -100.4 | -76.9 | 0 | 0 | 0 | 107.7 | ||||
| 11 | F | 43.2 | Very low | 37.1 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | -110 | 50.2 | 170.4 | -115.2 | -69.9 | 0 | 0 | 0 | 109.9 | ||||
| 12 | I | 44.3 | Very low | 37.3 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | trans | -147.6 | 103.9 | 160.5 | -54 | -178.6 | 0 | 0 | 0 | 106 | ||||
| 13 | L | 38 | Very low | 37.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 153.9 | 132.6 | 142.7 | -80.5 | 172.1 | 0 | 0 | 0 | 110.5 | ||
| 14 | L | 37.2 | Very low | 37.7 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | 87 | 73.5 | 167.6 | -52.6 | 173.9 | 0 | 0 | 0 | 117.5 | ||||
| 15 | N | 31.6 | Very low | 38 | Very low | 173 Ų | 173 | 142 Ų | 142 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -139.2 | 81.5 | 138.4 | -90 | -65.4 | 0 | 0 | 0 | 108.2 | ||||
| 16 | I | 37.9 | Very low | 38.5 | Very low | 161 Ų | 161 | 145 Ų | 145 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -91.3 | 108.1 | 163.4 | -65.7 | 177.4 | 0 | 0 | 0 | 106.7 | ||||
| 17 | S | 32.9 | Very low | 39.1 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 7.8 | 126.7 | 146.3 | -165.9 | 0 | 0 | 0 | 0 | 116.9 | G19 | S17-G19 PolarHBondContact O-N 3.48Š| ||
| 18 | S | 41.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -52.3 | 81.7 | 150.8 | -43.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | G | 29.3 | Very low | 40.4 | Very low | 53 Ų | 53 | 147.7 Ų | 147.7 | 55% | 0.546 | 77% | 0.769 | S | S | . | * | trans | -99.3 | 108.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | S17 T21 | S17-G19 PolarHBondContact O-N 3.48Å; G19-T21 PolarHBondContact O-N 3.48Å | ||
| 20 | S | 36 | Very low | 40.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 93.2 | 164.1 | 52 | 0 | 0 | 0 | 0 | 107.9 | E22 | S20-E22 PolarHBondContact O-N 2.92Š| ||
| 21 | T | 31 | Very low | 41.3 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -67.7 | 94.7 | 161.8 | 42.5 | 0 | 0 | 0 | 0 | 106 | G19 A23 | G19-T21 PolarHBondContact O-N 3.48Å; T21-A23 PolarHBondContact O-N 2.87Å | ||
| 22 | E | 38.3 | Very low | 41.5 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -55.6 | 89 | 151.5 | -89 | -179.1 | 148.2 | 0 | 0 | 106.3 | S20 Y24 | S20-E22 PolarHBondContact O-N 2.92Å; E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 3.07Å | ||
| 23 | A | 34.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -56.5 | 106.8 | 164 | 0 | 0 | 0 | 0 | 0 | 105.6 | T21 R25 | T21-A23 PolarHBondContact O-N 2.87Å; A23-R25 PolarHBondContact O-N 3.37Å | ||
| 24 | Y | 42.1 | Very low | 42.5 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | -54.1 | 83.3 | 157.7 | -97.6 | -98.8 | 0 | 0 | 0 | 106.9 | E22 H26 | E22-Y24 VanDerWaalsContact C-N 3.33Å; E22-Y24 PolarHBondContact O-N 3.07Å; Y24-H26 PolarHBondContact O-N 3.11Å; Y24-H26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | R | 44.7 | Very low | 43.6 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 109.9 | 166.4 | -94.8 | -176.7 | 178.1 | 150.5 | 2.1 | 104.2 | A23 H27 | A23-R25 PolarHBondContact O-N 3.37Å; R25-H27 VanDerWaalsContact C-N 3.26Å; R25-H27 VanDerWaalsContact CB-CE1 3.42Å; R25-H27 WeakPolarHBondContact CB-CE1 3.43Å; R25-H27 PolarHBondContact O-CD2 2.92Å; R25-H27 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-NE2 2.98Å | ||
| 26 | H | 45.7 | Very low | 45.5 | Very low | 187 Ų | 187 | 124.6 Ų | 124.6 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | trans | -57.3 | 97.6 | 163.5 | -84.1 | -83.3 | 0 | 0 | 0 | 108.1 | Y24 R28 | Y24-H26 PolarHBondContact O-N 3.11Å; Y24-H26 VanDerWaalsContact O-N 3.08Å; H26-R28 PolarHBondContact O-N 3.1Å | ||
| 27 | H | 56.3 | Low | 47.3 | Very low | 122 Ų | 122 | 117 Ų | 117 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | trans | -81.3 | 109.5 | 177.9 | -65.5 | -65.1 | 0 | 0 | 0 | 107.8 | R25 Q29 | R25-H27 VanDerWaalsContact C-N 3.26Å; R25-H27 VanDerWaalsContact CB-CE1 3.42Å; R25-H27 WeakPolarHBondContact CB-CE1 3.43Å; R25-H27 PolarHBondContact O-CD2 2.92Å; R25-H27 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-NE2 2.98Å; H27-Q29 PolarHBondContact O-N 3.08Å | ||
| 28 | R | 49.2 | Very low | 49.7 | Very low | 222 Ų | 222 | 113.6 Ų | 113.6 | 84% | 0.838 | 63% | 0.63 | S | S | * | * | trans | -82.8 | 112.9 | 178.8 | -165.3 | 172.9 | -176.2 | -177.5 | 1.3 | 108.6 | H26 V30 | H26-R28 PolarHBondContact O-N 3.1Å; R28-V30 PolarHBondContact O-N 2.83Å; R28-V30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | Q | 53.9 | Low | 51.6 | Low | 99 Ų | 99 | 108 Ų | 108 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | trans | -56.4 | 117.7 | 166.9 | -152.3 | 175.1 | 16.3 | 0 | 0 | 107.1 | H27 H31 | H27-Q29 PolarHBondContact O-N 3.08Å; Q29-H31 PolarHBondContact O-N 3.39Å | ||
| 30 | V | 51.9 | Low | 54.1 | Low | 55 Ų | 55 | 113 Ų | 113 | 33% | 0.333 | 59% | 0.593 | S | S | . | * | trans | -86.5 | 106.4 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 104.9 | R28 A32 R40 | R28-V30 PolarHBondContact O-N 2.83Å; R28-V30 VanDerWaalsContact O-N 3.12Å; V30-A32 HydrophobicContact CB-CB 4.5Å; V30-A32 HydrophobicContact CG1-CB 3.88Å; V30-A32 PolarHBondContact O-N 3.17Å; V30-R40 HydrophobicContact CG2-CB 4.13Å | ||
| 31 | H | 48.4 | Very low | 56.1 | Low | 170 Ų | 170 | 111.4 Ų | 111.4 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | trans | -67.2 | 69 | 159.4 | -83 | -66.8 | 0 | 0 | 0 | 108 | Q29 G33 | Q29-H31 PolarHBondContact O-N 3.39Å; H31-G33 PolarHBondContact O-N 3.19Å | ||
| 32 | A | 45.7 | Very low | 58.3 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | trans | -77.6 | 75.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | V30 S34 | V30-A32 HydrophobicContact CB-CB 4.5Å; V30-A32 HydrophobicContact CG1-CB 3.88Å; V30-A32 PolarHBondContact O-N 3.17Å; A32-S34 PolarHBondContact O-N 3.33Å | ||
| 33 | G | 48.3 | Very low | 60.1 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 84% | 0.835 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.4 | -14.6 | 152 | 0 | 0 | 0 | 0 | 0 | 121.5 | H31 | H31-G33 PolarHBondContact O-N 3.19Š|
| 34 | S | 55.7 | Low | 62.1 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.4 | -7.9 | -178.7 | 61 | 0 | 0 | 0 | 0 | 117.7 | A32 | A32-S34 PolarHBondContact O-N 3.33Š|
| 35 | Q | 61.8 | Low | 63.9 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 44% | 0.439 | 56% | 0.562 | S | S | . | * | trans | -131.4 | 112.2 | -178.5 | -69.7 | -176.6 | -9.5 | 0 | 0 | 112.4 | V38 | Q35-V38 HydrophobicContact CB-CG2 3.82Š| ||
| 36 | A | 70.8 | Confident | 65.8 | Low | 66 Ų | 66 | 106 Ų | 106 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 146.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V38 W51 | A36-V38 PolarHBondContact O-N 3.07Å; A36-W51 HydrophobicContact CB-CH2 3.77Å; A36-W51 HydrophobicContact CB-CZ3 3.99Å |
| 37 | G | 75.1 | Confident | 67.6 | Low | 2 Ų | 2 | 98.3 Ų | 98.3 | 2% | 0.021 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 11.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117 | C47 C48 W51 | G37-C47 CarbonylContact O-C 3.57Å; G37-C47 WeakPolarHBondContact O-CA 3.42Å; G37-C48 VanDerWaalsContact C-SG 3.53Å; G37-C48 PolarHBondContact O-N 3.38Å; G37-C48 PolarHBondContact O-SG 3.23Å; G37-C48 VanDerWaalsContact O-SG 3.41Å; G37-W51 VanDerWaalsContact CA-CE2 3.49Å |
| 38 | V | 83.9 | Confident | 68.8 | Low | 25 Ų | 25 | 93 Ų | 93 | 15% | 0.152 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.5 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 111 | Q35 A36 L45 C59 | Q35-V38 HydrophobicContact CB-CG2 3.82Å; A36-V38 PolarHBondContact O-N 3.07Å; V38-L45 HydrophobicContact CG1-CB 4.18Å; V38-L45 HydrophobicContact CG1-CD2 4.28Å; V38-C59 HydrophobicContact CG2-CB 4.39Å |
| 39 | C | 81.5 | Confident | 70.2 | Confident | 13 Ų | 13 | 92.6 Ų | 92.6 | 9% | 0.088 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.5 | 179.7 | -82.1 | 0 | 0 | 0 | 0 | 111.1 | Y41 E46 C48 | C39-Y41 HydrophobicContact CB-CD2 4.24Å; C39-Y41 HydrophobicContact CB-CE2 3.53Å; C39-E46 PolarHBondContact N-O 3.31Å; C39-E46 PolarHBondContact O-N 2.03Å; C39-E46 VanDerWaalsContact O-O 3.08Å; C39-C48 HydrophobicContact CB-CB 3.97Å; C39-C48 WeakPolarHBondContact CB-SG 3.06Å; C39-C48 PolarHBondContact N-SG 3.44Å; C39-C48 WeakPolarHBondContact SG-CB 3.45Å; C39-C48 CovalentContact SG-SG 2.03Å; C39-C48 PolarHBondContact SG-SG 3.43Å |
| 40 | R | 81.4 | Confident | 71.1 | Confident | 157 Ų | 157 | 89.3 Ų | 89.3 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.2 | 175.7 | -177.2 | -179.8 | -81.5 | 172.5 | -5 | 110.2 | V30 G42 R44 L45 | V30-R40 HydrophobicContact CG2-CB 4.13Å; R40-G42 WeakPolarHBondContact CD-O 3.49Å; R40-G42 VanDerWaalsContact CG-O 3.31Å; R40-G42 WeakPolarHBondContact CG-O 3.39Å; R40-R44 CarbonylContact C-O 3.59Å; R40-R44 WeakPolarHBondContact CA-O 3.18Å; R40-L45 HydrophobicContact CB-CD2 4.03Å; R40-L45 HydrophobicContact CG-CD2 4.36Å |
| 41 | Y | 76.8 | Confident | 72.6 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 34% | 0.337 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 91.1 | 174 | -64.5 | -87.7 | 0 | 0 | 0 | 109.1 | C39 K43 R44 E46 | C39-Y41 HydrophobicContact CB-CD2 4.24Å; C39-Y41 HydrophobicContact CB-CE2 3.53Å; Y41-K43 PolarHBondContact O-N 3.45Å; Y41-K43 VanDerWaalsContact O-N 3.1Å; Y41-R44 PolarHBondContact N-O 2.78Å; Y41-R44 PolarHBondContact O-N 3.37Å; Y41-E46 HydrophobicContact CD2-CB 3.97Å; Y41-E46 HydrophobicContact CE2-CB 4.2Å |
| 42 | G | 79 | Confident | 74.3 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | -111.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R40 | R40-G42 WeakPolarHBondContact CD-O 3.49Å; R40-G42 VanDerWaalsContact CG-O 3.31Å; R40-G42 WeakPolarHBondContact CG-O 3.39Å |
| 43 | K | 75.3 | Confident | 76.2 | Confident | 216 Ų | 216 | 87.8 Ų | 87.8 | 94% | 0.939 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.6 | 175.5 | -67.4 | -174 | 179.4 | -179.1 | 0 | 114 | Y41 | Y41-K43 PolarHBondContact O-N 3.45Å; Y41-K43 VanDerWaalsContact O-N 3.1Å |
| 44 | R | 77.1 | Confident | 77.7 | Confident | 178 Ų | 178 | 85.3 Ų | 85.3 | 67% | 0.672 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 145.5 | -176.6 | -63.9 | -177.3 | 179.3 | 174 | -0.1 | 111.2 | R40 Y41 E46 | R40-R44 CarbonylContact C-O 3.59Å; R40-R44 WeakPolarHBondContact CA-O 3.18Å; Y41-R44 PolarHBondContact N-O 2.78Å; Y41-R44 PolarHBondContact O-N 3.37Å; R44-E46 HydrophobicContact CB-CG 4.41Å; R44-E46 WeakPolarHBondContact CD-OE1 3.14Å |
| 45 | L | 80.5 | Confident | 78.9 | Confident | 116 Ų | 116 | 88.6 Ų | 88.6 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120 | 170.1 | -68.2 | 172.7 | 0 | 0 | 0 | 107.6 | V38 R40 | V38-L45 HydrophobicContact CG1-CB 4.18Å; V38-L45 HydrophobicContact CG1-CD2 4.28Å; R40-L45 HydrophobicContact CB-CD2 4.03Å; R40-L45 HydrophobicContact CG-CD2 4.36Å |
| 46 | E | 83.3 | Confident | 79.9 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 165.3 | -177.4 | -63.2 | 176.4 | -172.6 | 0 | 0 | 109.1 | C39 Y41 R44 | C39-E46 PolarHBondContact N-O 3.31Å; C39-E46 PolarHBondContact O-N 2.03Å; C39-E46 VanDerWaalsContact O-O 3.08Å; Y41-E46 HydrophobicContact CD2-CB 3.97Å; Y41-E46 HydrophobicContact CE2-CB 4.2Å; R44-E46 HydrophobicContact CB-CG 4.41Å; R44-E46 WeakPolarHBondContact CD-OE1 3.14Å |
| 47 | C | 84.3 | Confident | 80.3 | Confident | 26 Ų | 26 | 91.1 Ų | 91.1 | 18% | 0.176 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.1 | 175 | -60.7 | 0 | 0 | 0 | 0 | 110 | G37 W51 C59 | G37-C47 CarbonylContact O-C 3.57Å; G37-C47 WeakPolarHBondContact O-CA 3.42Å; C47-W51 HydrophobicContact CB-CB 3.95Å; C47-W51 WeakPolarHBondContact CB-O 3.48Å; C47-C59 WeakPolarHBondContact CA-SG 3.3Å; C47-C59 HydrophobicContact CB-CB 3.83Å; C47-C59 WeakPolarHBondContact CB-SG 3.41Å; C47-C59 VanDerWaalsContact SG-CA 3.54Å; C47-C59 WeakPolarHBondContact SG-CB 3.42Å; C47-C59 CovalentContact SG-SG 2.04Å; C47-C59 PolarHBondContact SG-SG 2.95Å |
| 48 | C | 81.8 | Confident | 80.6 | Confident | 11 Ų | 11 | 95.2 Ų | 95.2 | 7% | 0.074 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.2 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | G37 C39 G50 W51 | G37-C48 VanDerWaalsContact C-SG 3.53Å; G37-C48 PolarHBondContact O-N 3.38Å; G37-C48 PolarHBondContact O-SG 3.23Å; G37-C48 VanDerWaalsContact O-SG 3.41Å; C39-C48 HydrophobicContact CB-CB 3.97Å; C39-C48 WeakPolarHBondContact CB-SG 3.06Å; C39-C48 PolarHBondContact N-SG 3.44Å; C39-C48 WeakPolarHBondContact SG-CB 3.45Å; C39-C48 CovalentContact SG-SG 2.03Å; C39-C48 PolarHBondContact SG-SG 3.43Å; C48-G50 PolarHBondContact O-N 3.13Å; C48-W51 HydrophobicContact CB-CG 4.45Å; C48-W51 WeakPolarHBondContact O-CB 2.98Å; C48-W51 PolarHBondContact O-N 3.37Å |
| 49 | Y | 77.8 | Confident | 80.6 | Confident | 214 Ų | 214 | 94.8 Ų | 94.8 | 84% | 0.839 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 128.7 | 175 | -176.1 | -98.5 | 0 | 0 | 0 | 111.5 | W51 | Y49-W51 VanDerWaalsContact C-N 3.35Š|
| 50 | G | 73.4 | Confident | 80.7 | Confident | 29 Ų | 29 | 99.4 Ų | 99.4 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 13.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | C48 Q62 | C48-G50 PolarHBondContact O-N 3.13Å; G50-Q62 WeakPolarHBondContact O-CB 3.41Å; G50-Q62 PolarHBondContact O-N 3.45Å; G50-Q62 VanDerWaalsContact O-N 3.16Å |
| 51 | W | 83.5 | Confident | 80.7 | Confident | 37 Ų | 37 | 92.8 Ų | 92.8 | 14% | 0.14 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 137.2 | 166.6 | -65.5 | 71.1 | 0 | 0 | 0 | 110 | A36 G37 C47 C48 Y49 C59 E60 A61 | A36-W51 HydrophobicContact CB-CH2 3.77Å; A36-W51 HydrophobicContact CB-CZ3 3.99Å; G37-W51 VanDerWaalsContact CA-CE2 3.49Å; C47-W51 HydrophobicContact CB-CB 3.95Å; C47-W51 WeakPolarHBondContact CB-O 3.48Å; C48-W51 HydrophobicContact CB-CG 4.45Å; C48-W51 WeakPolarHBondContact O-CB 2.98Å; C48-W51 PolarHBondContact O-N 3.37Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; W51-C59 HydrophobicContact CB-CB 4.2Å; W51-C59 HydrophobicContact CE3-CB 4.2Å; W51-E60 CarbonylContact C-O 3.52Å; W51-E60 VanDerWaalsContact CA-O 3.28Å; W51-E60 WeakPolarHBondContact CA-O 3.04Å; W51-A61 HydrophobicContact CD2-CB 4.28Å; W51-A61 HydrophobicContact CE3-CB 4.04Å; W51-A61 VanDerWaalsContact CE3-N 3.25Å; W51-A61 HydrophobicContact CH2-CB 3.92Å; W51-A61 HydrophobicContact CZ2-CB 4.17Å; W51-A61 HydrophobicContact CZ3-CB 3.87Å |
| 52 | V | 83 | Confident | 81 | Confident | 80 Ų | 80 | 93.6 Ų | 93.6 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | N54 C59 E60 Q62 | V52-N54 PolarHBondContact O-N 2.96Å; V52-C59 WeakPolarHBondContact O-CA 3.4Å; V52-E60 PolarHBondContact N-O 2.86Å; V52-E60 PolarHBondContact O-N 2.86Å; V52-Q62 HydrophobicContact CG2-CB 4.17Å; V52-Q62 HydrophobicContact CG2-CG 4.36Å |
| 53 | K | 85.1 | Confident | 81.2 | Confident | 142 Ų | 142 | 91.3 Ų | 91.3 | 62% | 0.617 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 119.1 | 179 | -161.4 | 174.4 | -173.3 | 175.1 | 0 | 109.9 | G57 Q58 | K53-G57 WeakPolarHBondContact CE-O 3.36Å; K53-Q58 CarbonylContact C-O 3.55Å; K53-Q58 WeakPolarHBondContact CA-O 3.47Å |
| 54 | N | 81.4 | Confident | 81.4 | Confident | 28 Ų | 28 | 87.6 Ų | 87.6 | 15% | 0.15 | 43% | 0.429 | C | S | . | . | trans | -73.9 | 172.7 | 175.6 | 75.4 | 9 | 0 | 0 | 0 | 111.6 | V52 K56 G57 Q58 E60 | V52-N54 PolarHBondContact O-N 2.96Å; N54-K56 PolarHBondContact O-N 3.04Å; N54-K56 WeakPolarHBondContact OD1-CA 3.33Å; N54-K56 WeakPolarHBondContact OD1-CB 3.33Å; N54-K56 PolarHBondContact OD1-N 2.8Å; N54-G57 PolarHBondContact O-N 3.04Å; N54-G57 PolarHBondContact OD1-N 2.94Å; N54-Q58 PolarHBondContact N-O 3.12Å; N54-Q58 PolarHBondContact ND2-OE1 3.49Å; N54-Q58 PolarHBondContact OD1-N 2.98Å; N54-Q58 PolarHBondContact OD1-O 3.22Å; N54-E60 HydrophobicContact CB-CG 4.29Å; N54-E60 PolarHBondContact ND2-OE1 2.89Å | ||
| 55 | N | 81.1 | Confident | 81.6 | Confident | 179 Ų | 179 | 84.8 Ų | 84.8 | 96% | 0.957 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.2 | 179.7 | -65.1 | -20.3 | 0 | 0 | 0 | 114 | G57 | N55-G57 VanDerWaalsContact C-N 3.35Š|
| 56 | K | 82.2 | Confident | 81.7 | Confident | 181 Ų | 181 | 79.6 Ų | 79.6 | 79% | 0.787 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 2 | 175.7 | -62.1 | 177.6 | -179.6 | 174.6 | 0 | 112.5 | N54 | N54-K56 PolarHBondContact O-N 3.04Å; N54-K56 WeakPolarHBondContact OD1-CA 3.33Å; N54-K56 WeakPolarHBondContact OD1-CB 3.33Å; N54-K56 PolarHBondContact OD1-N 2.8Å |
| 57 | G | 78.1 | Confident | 81.8 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 79.8 | 12.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | K53 N54 N55 | K53-G57 WeakPolarHBondContact CE-O 3.36Å; N54-G57 PolarHBondContact O-N 3.04Å; N54-G57 PolarHBondContact OD1-N 2.94Å; N55-G57 VanDerWaalsContact C-N 3.35Å |
| 58 | Q | 82 | Confident | 81.7 | Confident | 87 Ų | 87 | 78.7 Ų | 78.7 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | trans | -93.9 | 148.6 | 177.9 | -60.2 | 171 | -41.2 | 0 | 0 | 110.5 | K53 N54 | K53-Q58 CarbonylContact C-O 3.55Å; K53-Q58 WeakPolarHBondContact CA-O 3.47Å; N54-Q58 PolarHBondContact N-O 3.12Å; N54-Q58 PolarHBondContact ND2-OE1 3.49Å; N54-Q58 PolarHBondContact OD1-N 2.98Å; N54-Q58 PolarHBondContact OD1-O 3.22Å | ||
| 59 | C | 83.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.7 | 176 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | V38 C47 W51 V52 | V38-C59 HydrophobicContact CG2-CB 4.39Å; C47-C59 WeakPolarHBondContact CA-SG 3.3Å; C47-C59 HydrophobicContact CB-CB 3.83Å; C47-C59 WeakPolarHBondContact CB-SG 3.41Å; C47-C59 VanDerWaalsContact SG-CA 3.54Å; C47-C59 WeakPolarHBondContact SG-CB 3.42Å; C47-C59 CovalentContact SG-SG 2.04Å; C47-C59 PolarHBondContact SG-SG 2.95Å; W51-C59 HydrophobicContact CB-CB 4.2Å; W51-C59 HydrophobicContact CE3-CB 4.2Å; V52-C59 WeakPolarHBondContact O-CA 3.4Å |
| 60 | E | 83.6 | Confident | 82.2 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.5 | 173.7 | -75.5 | 175.5 | -174.8 | 0 | 0 | 110 | W51 V52 N54 | W51-E60 CarbonylContact C-O 3.52Å; W51-E60 VanDerWaalsContact CA-O 3.28Å; W51-E60 WeakPolarHBondContact CA-O 3.04Å; V52-E60 PolarHBondContact N-O 2.86Å; V52-E60 PolarHBondContact O-N 2.86Å; N54-E60 HydrophobicContact CB-CG 4.29Å; N54-E60 PolarHBondContact ND2-OE1 2.89Å |
| 61 | A | 82 | Confident | 82.9 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W51 C72 | W51-A61 HydrophobicContact CD2-CB 4.28Å; W51-A61 HydrophobicContact CE3-CB 4.04Å; W51-A61 VanDerWaalsContact CE3-N 3.25Å; W51-A61 HydrophobicContact CH2-CB 3.92Å; W51-A61 HydrophobicContact CZ2-CB 4.17Å; W51-A61 HydrophobicContact CZ3-CB 3.87Å; A61-C72 HydrophobicContact CB-CB 4.32Å; A61-C72 PolarHBondContact O-SG 2.8Å |
| 62 | Q | 83.3 | Confident | 83 | Confident | 102 Ų | 102 | 75 Ų | 75 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | trans | -101.2 | 125.6 | 176.8 | -169.9 | 69.9 | 9.3 | 0 | 0 | 110.6 | G50 V52 C72 P75 N76 | G50-Q62 WeakPolarHBondContact O-CB 3.41Å; G50-Q62 PolarHBondContact O-N 3.45Å; G50-Q62 VanDerWaalsContact O-N 3.16Å; V52-Q62 HydrophobicContact CG2-CB 4.17Å; V52-Q62 HydrophobicContact CG2-CG 4.36Å; Q62-C72 VanDerWaalsContact C-SG 3.54Å; Q62-P75 WeakPolarHBondContact O-CA 3.25Å; Q62-N76 PolarHBondContact O-N 2.79Å | ||
| 63 | C | 83.6 | Confident | 83.2 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 14% | 0.135 | 38% | 0.378 | C | S | . | . | trans | -119.2 | 106.6 | 172.6 | -70.5 | 0 | 0 | 0 | 0 | 108.6 | H65 G66 C72 | C63-H65 VanDerWaalsContact C-N 3.33Å; C63-H65 PolarHBondContact O-N 3.42Å; C63-G66 PolarHBondContact O-N 3.1Å; C63-G66 VanDerWaalsContact O-N 3.14Å; C63-C72 HydrophobicContact CB-CB 3.99Å; C63-C72 WeakPolarHBondContact CB-SG 3.04Å; C63-C72 PolarHBondContact N-SG 2.04Å; C63-C72 VanDerWaalsContact N-SG 3.37Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.05Å; C63-C72 PolarHBondContact SG-SG 1.96Å | ||
| 64 | E | 79.8 | Confident | 83.2 | Confident | 138 Ų | 138 | 67.6 Ų | 67.6 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -42.2 | -176 | -69.4 | 172.9 | 153.7 | 0 | 0 | 112.2 | G66 N76 | E64-G66 VanDerWaalsContact C-N 3.35Å; E64-N76 PolarHBondContact N-OD1 3.03Å; E64-N76 PolarHBondContact OE2-ND2 3.37Å |
| 65 | H | 80.2 | Confident | 83.2 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.7 | -179.9 | -59.4 | 91.1 | 0 | 0 | 0 | 113.4 | C63 T88 | C63-H65 VanDerWaalsContact C-N 3.33Å; C63-H65 PolarHBondContact O-N 3.42Å; H65-T88 HydrophobicContact CB-CG2 3.89Å |
| 66 | G | 81.9 | Confident | 83.3 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | trans | 65.4 | 165.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C63 E64 | C63-G66 PolarHBondContact O-N 3.1Å; C63-G66 VanDerWaalsContact O-N 3.14Å; E64-G66 VanDerWaalsContact C-N 3.35Å | ||
| 67 | C | 86.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | trans | -111.9 | 111.6 | 171 | -52.7 | 0 | 0 | 0 | 0 | 107.7 | G70 C78 | C67-G70 WeakPolarHBondContact CB-O 3.28Å; C67-C78 WeakPolarHBondContact CA-SG 3.01Å; C67-C78 HydrophobicContact CB-CB 3.72Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 WeakPolarHBondContact SG-CA 3.33Å; C67-C78 WeakPolarHBondContact SG-CB 3.44Å; C67-C78 CovalentContact SG-SG 2.03Å; C67-C78 PolarHBondContact SG-SG 3.41Å | ||
| 68 | K | 80.8 | Confident | 84 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -61.8 | -172.5 | -110.7 | -100.1 | -176.9 | 167.8 | 0 | 112.5 | T88 C89 N90 Y213 | K68-T88 PolarHBondContact N-O 3.36Å; K68-C89 WeakPolarHBondContact CB-O 3.33Å; K68-N90 HydrophobicContact CB-CB 4.39Å; K68-N90 HydrophobicContact CG-CB 4.36Å; K68-Y213 HydrophobicContact CB-CE2 4.23Å; K68-Y213 HydrophobicContact CD-CD2 3.68Å; K68-Y213 HydrophobicContact CD-CE2 3.94Å; K68-Y213 HydrophobicContact CD-CG 4.25Å; K68-Y213 HydrophobicContact CG-CD2 3.34Å; K68-Y213 HydrophobicContact CG-CE1 4.45Å; K68-Y213 HydrophobicContact CG-CE2 3.04Å; K68-Y213 HydrophobicContact CG-CG 4.19Å |
| 69 | H | 84.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 21% | 0.213 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 62.6 | 177.5 | -52.3 | 117.9 | 0 | 0 | 0 | 107.5 | F81 Y84 C89 H111 | H69-F81 HydrophobicContact CB-CD2 4.14Å; H69-F81 WeakPolarHBondContact O-CB 3.42Å; H69-F81 WeakPolarHBondContact O-CD2 3.43Å; H69-F81 WeakPolarHBondContact O-CG 2.97Å; H69-F81 PolarHBondContact O-N 3.27Å; H69-Y84 HydrophobicContact CB-CD1 3.84Å; H69-Y84 HydrophobicContact CB-CD2 3.41Å; H69-Y84 VanDerWaalsContact CB-CD2 3.41Å; H69-Y84 HydrophobicContact CB-CE1 4.06Å; H69-Y84 HydrophobicContact CB-CE2 3.66Å; H69-Y84 HydrophobicContact CB-CG 3.48Å; H69-Y84 VanDerWaalsContact CB-CG 3.48Å; H69-Y84 AromaticContact CD2-CZ 3.94Å; H69-Y84 AromaticContact CE1-CE1 3.42Å; H69-Y84 VanDerWaalsContact CE1-CE1 3.42Å; H69-Y84 WeakPolarHBondContact CE1-CE1 3.41Å; H69-Y84 AromaticContact CE1-CZ 3.88Å; H69-Y84 AromaticContact CG-CD1 3.73Å; H69-Y84 AromaticContact CG-CD2 3.98Å; H69-Y84 AromaticContact CG-CE1 3.55Å; H69-Y84 AromaticContact CG-CE2 3.83Å; H69-Y84 AromaticContact CG-CG 3.92Å; H69-Y84 AromaticContact CG-CZ 3.58Å; H69-Y84 AromaticContact ND1-CD1 3.21Å; H69-Y84 WeakPolarHBondContact ND1-CD1 3.42Å; H69-Y84 AromaticContact ND1-CE1 3.05Å; H69-Y84 WeakPolarHBondContact ND1-CE1 2.97Å; H69-Y84 AromaticContact ND1-CG 3.84Å; H69-Y84 AromaticContact ND1-CZ 3.59Å; H69-C89 PolarHBondContact N-O 2.72Å; H69-C89 PolarHBondContact ND1-O 3.25Å; H69-C89 WeakPolarHBondContact O-CB 2.85Å; H69-H111 AromaticContact CE1-NE2 3.9Å |
| 70 | G | 86.9 | Confident | 84.7 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C67 K79 | C67-G70 WeakPolarHBondContact CB-O 3.28Å; G70-K79 CarbonylContact C-O 3.57Å; G70-K79 WeakPolarHBondContact CA-O 3.36Å |
| 71 | E | 87.3 | Confident | 85 | Confident | 108 Ų | 108 | 64.8 Ų | 64.8 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.9 | -179.2 | -65.7 | 175.5 | 167.5 | 0 | 0 | 110.6 | V73 C78 K79 F81 | E71-V73 HydrophobicContact CB-CG1 4.39Å; E71-V73 PolarHBondContact O-N 2.83Å; E71-C78 CarbonylContact O-C 3.58Å; E71-C78 WeakPolarHBondContact O-CA 3.09Å; E71-K79 PolarHBondContact N-O 3.27Å; E71-K79 PolarHBondContact O-N 2.93Å; E71-F81 HydrophobicContact CG-CE1 3.84Å; E71-F81 HydrophobicContact CG-CZ 4.29Å |
| 72 | C | 86.8 | Confident | 85.3 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 107.8 | 171.4 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | A61 Q62 C63 G74 | A61-C72 HydrophobicContact CB-CB 4.32Å; A61-C72 PolarHBondContact O-SG 2.8Å; Q62-C72 VanDerWaalsContact C-SG 3.54Å; C63-C72 HydrophobicContact CB-CB 3.99Å; C63-C72 WeakPolarHBondContact CB-SG 3.04Å; C63-C72 PolarHBondContact N-SG 2.04Å; C63-C72 VanDerWaalsContact N-SG 3.37Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.05Å; C63-C72 PolarHBondContact SG-SG 1.96Å; C72-G74 PolarHBondContact SG-O 3.38Å |
| 73 | V | 87 | Confident | 85.3 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -7.5 | -177.3 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | E71 K77 K79 | E71-V73 HydrophobicContact CB-CG1 4.39Å; E71-V73 PolarHBondContact O-N 2.83Å; V73-K77 HydrophobicContact CG2-CD 4.48Å; V73-K77 HydrophobicContact CG2-CG 4.16Å; V73-K77 WeakPolarHBondContact CG2-O 3.45Å; V73-K77 PolarHBondContact N-O 3.36Å; V73-K79 HydrophobicContact CB-CB 4.45Å; V73-K79 HydrophobicContact CG1-CB 3.55Å; V73-K79 HydrophobicContact CG1-CD 4.18Å; V73-K79 HydrophobicContact CG2-CB 4.01Å |
| 74 | G | 83.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.2 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C72 N76 K77 | C72-G74 PolarHBondContact SG-O 3.38Å; G74-N76 PolarHBondContact O-N 3.39Å; G74-N76 VanDerWaalsContact O-N 3.1Å; G74-K77 PolarHBondContact N-O 3.15Å; G74-K77 PolarHBondContact O-N 3.12Å |
| 75 | P | 82 | Confident | 86.1 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 116.5 | -177.7 | 25.4 | -34.4 | 0 | 0 | 0 | 110.4 | Q62 K77 | Q62-P75 WeakPolarHBondContact O-CA 3.25Å; P75-K77 PolarHBondContact O-N 3.04Å |
| 76 | N | 82.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 29.9 | -173.7 | -71.9 | -26.5 | 0 | 0 | 0 | 114 | Q62 E64 G74 | Q62-N76 PolarHBondContact O-N 2.79Å; E64-N76 PolarHBondContact N-OD1 3.03Å; E64-N76 PolarHBondContact OE2-ND2 3.37Å; G74-N76 PolarHBondContact O-N 3.39Å; G74-N76 VanDerWaalsContact O-N 3.1Å |
| 77 | K | 86.5 | Confident | 86.9 | Confident | 138 Ų | 138 | 66.9 Ų | 66.9 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.5 | 179.7 | -170.6 | 175.8 | -177.2 | 176.8 | 0 | 110.4 | V73 G74 P75 | V73-K77 HydrophobicContact CG2-CD 4.48Å; V73-K77 HydrophobicContact CG2-CG 4.16Å; V73-K77 WeakPolarHBondContact CG2-O 3.45Å; V73-K77 PolarHBondContact N-O 3.36Å; G74-K77 PolarHBondContact N-O 3.15Å; G74-K77 PolarHBondContact O-N 3.12Å; P75-K77 PolarHBondContact O-N 3.04Å |
| 78 | C | 89.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 138.8 | 177 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | C67 E71 K87 C89 | C67-C78 WeakPolarHBondContact CA-SG 3.01Å; C67-C78 HydrophobicContact CB-CB 3.72Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 WeakPolarHBondContact SG-CA 3.33Å; C67-C78 WeakPolarHBondContact SG-CB 3.44Å; C67-C78 CovalentContact SG-SG 2.03Å; C67-C78 PolarHBondContact SG-SG 3.41Å; E71-C78 CarbonylContact O-C 3.58Å; E71-C78 WeakPolarHBondContact O-CA 3.09Å; C78-K87 WeakPolarHBondContact CB-O 3.33Å; C78-K87 PolarHBondContact SG-O 2.81Å; C78-C89 VanDerWaalsContact CB-SG 3.51Å |
| 79 | K | 90.7 | Very high | 87.3 | Confident | 132 Ų | 132 | 63.4 Ų | 63.4 | 57% | 0.574 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 110.6 | 162 | 178.9 | -174 | 175.1 | -168.3 | 0 | 107.4 | G70 E71 V73 | G70-K79 CarbonylContact C-O 3.57Å; G70-K79 WeakPolarHBondContact CA-O 3.36Å; E71-K79 PolarHBondContact N-O 3.27Å; E71-K79 PolarHBondContact O-N 2.93Å; V73-K79 HydrophobicContact CB-CB 4.45Å; V73-K79 HydrophobicContact CG1-CB 3.55Å; V73-K79 HydrophobicContact CG1-CD 4.18Å; V73-K79 HydrophobicContact CG2-CB 4.01Å |
| 80 | C | 90.1 | Very high | 87.4 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 147 | -177.6 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | Y84 C89 | C80-Y84 WeakPolarHBondContact CB-O 3.27Å; C80-C89 WeakPolarHBondContact CA-SG 3.48Å; C80-C89 HydrophobicContact CB-CB 3.67Å; C80-C89 WeakPolarHBondContact CB-SG 3.19Å; C80-C89 PolarHBondContact N-SG 2.79Å; C80-C89 VanDerWaalsContact N-SG 3.42Å; C80-C89 WeakPolarHBondContact SG-CA 3.17Å; C80-C89 WeakPolarHBondContact SG-CB 3.18Å; C80-C89 CovalentContact SG-SG 2.04Å; C80-C89 PolarHBondContact SG-SG 3.13Å |
| 81 | F | 89.4 | Confident | 87.4 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 155.1 | 164.5 | -61.1 | -34.3 | 0 | 0 | 0 | 109.6 | H69 E71 G83 Y84 | H69-F81 HydrophobicContact CB-CD2 4.14Å; H69-F81 WeakPolarHBondContact O-CB 3.42Å; H69-F81 WeakPolarHBondContact O-CD2 3.43Å; H69-F81 WeakPolarHBondContact O-CG 2.97Å; H69-F81 PolarHBondContact O-N 3.27Å; E71-F81 HydrophobicContact CG-CE1 3.84Å; E71-F81 HydrophobicContact CG-CZ 4.29Å; F81-G83 PolarHBondContact O-N 3.04Å; F81-Y84 HydrophobicContact CB-CD2 4.31Å; F81-Y84 PolarHBondContact O-N 3.38Å |
| 82 | P | 87.3 | Confident | 87.4 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 141.1 | 173.4 | -24.6 | 34.4 | 0 | 0 | 0 | 111.4 | ||
| 83 | G | 83.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 1.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | F81 L93 E95 | F81-G83 PolarHBondContact O-N 3.04Å; G83-L93 WeakPolarHBondContact O-CB 3.4Å; G83-L93 PolarHBondContact O-N 2.78Å; G83-E95 WeakPolarHBondContact CA-OE1 3.46Å |
| 84 | Y | 90 | Very high | 87.7 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.4 | 178.5 | -60.1 | -82.9 | 0 | 0 | 0 | 112.7 | H69 C80 F81 Q91 H111 G112 | H69-Y84 HydrophobicContact CB-CD1 3.84Å; H69-Y84 HydrophobicContact CB-CD2 3.41Å; H69-Y84 VanDerWaalsContact CB-CD2 3.41Å; H69-Y84 HydrophobicContact CB-CE1 4.06Å; H69-Y84 HydrophobicContact CB-CE2 3.66Å; H69-Y84 HydrophobicContact CB-CG 3.48Å; H69-Y84 VanDerWaalsContact CB-CG 3.48Å; H69-Y84 AromaticContact CD2-CZ 3.94Å; H69-Y84 AromaticContact CE1-CE1 3.42Å; H69-Y84 VanDerWaalsContact CE1-CE1 3.42Å; H69-Y84 WeakPolarHBondContact CE1-CE1 3.41Å; H69-Y84 AromaticContact CE1-CZ 3.88Å; H69-Y84 AromaticContact CG-CD1 3.73Å; H69-Y84 AromaticContact CG-CD2 3.98Å; H69-Y84 AromaticContact CG-CE1 3.55Å; H69-Y84 AromaticContact CG-CE2 3.83Å; H69-Y84 AromaticContact CG-CG 3.92Å; H69-Y84 AromaticContact CG-CZ 3.58Å; H69-Y84 AromaticContact ND1-CD1 3.21Å; H69-Y84 WeakPolarHBondContact ND1-CD1 3.42Å; H69-Y84 AromaticContact ND1-CE1 3.05Å; H69-Y84 WeakPolarHBondContact ND1-CE1 2.97Å; H69-Y84 AromaticContact ND1-CG 3.84Å; H69-Y84 AromaticContact ND1-CZ 3.59Å; C80-Y84 WeakPolarHBondContact CB-O 3.27Å; F81-Y84 HydrophobicContact CB-CD2 4.31Å; F81-Y84 PolarHBondContact O-N 3.38Å; Y84-Q91 CarbonylContact C-O 3.59Å; Y84-Q91 VanDerWaalsContact CA-O 3.31Å; Y84-Q91 WeakPolarHBondContact CA-O 3.42Å; Y84-H111 AromaticContact CE1-CE1 3.91Å; Y84-H111 AromaticContact CE1-NE2 3.77Å; Y84-G112 VanDerWaalsContact CZ-CA 3.48Å |
| 85 | T | 90.9 | Very high | 88.1 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 178.8 | -179.1 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | C89 Q91 L93 | T85-C89 VanDerWaalsContact O-CA 3.32Å; T85-C89 WeakPolarHBondContact O-CA 3.48Å; T85-Q91 HydrophobicContact CG2-CB 3.8Å; T85-Q91 PolarHBondContact N-O 2.55Å; T85-Q91 WeakPolarHBondContact O-CB 3Å; T85-Q91 PolarHBondContact O-N 3.33Å; T85-L93 HydrophobicContact CG2-CB 4.48Å; T85-L93 HydrophobicContact CG2-CD1 4.43Å |
| 86 | G | 89.6 | Confident | 88.5 | Confident | 26 Ų | 26 | 66 Ų | 66 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 90.5 | 166.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | T88 C89 | G86-T88 PolarHBondContact O-N 2.89Å; G86-C89 PolarHBondContact O-N 2.84Å |
| 87 | K | 88.2 | Confident | 88.9 | Confident | 193 Ų | 193 | 64.8 Ų | 64.8 | 84% | 0.839 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31 | -174 | -66 | -179.3 | -178.7 | 174.5 | 0 | 113.4 | C78 | C78-K87 WeakPolarHBondContact CB-O 3.33Å; C78-K87 PolarHBondContact SG-O 2.81Å |
| 88 | T | 87.4 | Confident | 89.1 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 9.5 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | H65 K68 G86 N90 Y213 | H65-T88 HydrophobicContact CB-CG2 3.89Å; K68-T88 PolarHBondContact N-O 3.36Å; G86-T88 PolarHBondContact O-N 2.89Å; T88-N90 PolarHBondContact O-N 3.35Å; T88-N90 VanDerWaalsContact OG1-CG 3.25Å; T88-N90 PolarHBondContact OG1-OD1 2.64Å; T88-Y213 PolarHBondContact OG1-OH 2.05Å |
| 89 | C | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 55.7 | 36.4 | -178 | -47.7 | 0 | 0 | 0 | 0 | 113.4 | K68 H69 C78 C80 T85 G86 | K68-C89 WeakPolarHBondContact CB-O 3.33Å; H69-C89 PolarHBondContact N-O 2.72Å; H69-C89 PolarHBondContact ND1-O 3.25Å; H69-C89 WeakPolarHBondContact O-CB 2.85Å; C78-C89 VanDerWaalsContact CB-SG 3.51Å; C80-C89 WeakPolarHBondContact CA-SG 3.48Å; C80-C89 HydrophobicContact CB-CB 3.67Å; C80-C89 WeakPolarHBondContact CB-SG 3.19Å; C80-C89 PolarHBondContact N-SG 2.79Å; C80-C89 VanDerWaalsContact N-SG 3.42Å; C80-C89 WeakPolarHBondContact SG-CA 3.17Å; C80-C89 WeakPolarHBondContact SG-CB 3.18Å; C80-C89 CovalentContact SG-SG 2.04Å; C80-C89 PolarHBondContact SG-SG 3.13Å; T85-C89 VanDerWaalsContact O-CA 3.32Å; T85-C89 WeakPolarHBondContact O-CA 3.48Å; G86-C89 PolarHBondContact O-N 2.84Å |
| 90 | N | 85.9 | Confident | 89 | Confident | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | trans | -98.4 | -13 | 179.8 | 66.2 | -27.7 | 0 | 0 | 0 | 112.7 | K68 T88 | K68-N90 HydrophobicContact CB-CB 4.39Å; K68-N90 HydrophobicContact CG-CB 4.36Å; T88-N90 PolarHBondContact O-N 3.35Å; T88-N90 VanDerWaalsContact OG1-CG 3.25Å; T88-N90 PolarHBondContact OG1-OD1 2.64Å | ||
| 91 | Q | 87.2 | Confident | 88.8 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.7 | 179.4 | -67.5 | 168.3 | -11.3 | 0 | 0 | 109.3 | Y84 T85 | Y84-Q91 CarbonylContact C-O 3.59Å; Y84-Q91 VanDerWaalsContact CA-O 3.31Å; Y84-Q91 WeakPolarHBondContact CA-O 3.42Å; T85-Q91 HydrophobicContact CG2-CB 3.8Å; T85-Q91 PolarHBondContact N-O 2.55Å; T85-Q91 WeakPolarHBondContact O-CB 3Å; T85-Q91 PolarHBondContact O-N 3.33Å |
| 92 | D | 86.8 | Confident | 88.7 | Confident | 44 Ų | 44 | 73 Ų | 73 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.7 | 170.3 | -172.4 | 53.9 | 0 | 0 | 0 | 110 | N109 H111 G112 | D92-N109 PolarHBondContact OD2-ND2 2.9Å; D92-H111 WeakPolarHBondContact OD1-CA 3.31Å; D92-H111 IonicContact OD1-ND1 3.89Å; D92-G112 PolarHBondContact OD1-N 2.8Å |
| 93 | L | 91.2 | Very high | 88.8 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | trans | -87.1 | 113 | 175.1 | 175.9 | 66.2 | 0 | 0 | 0 | 108.3 | G83 T85 E95 L98 N109 | G83-L93 WeakPolarHBondContact O-CB 3.4Å; G83-L93 PolarHBondContact O-N 2.78Å; T85-L93 HydrophobicContact CG2-CB 4.48Å; T85-L93 HydrophobicContact CG2-CD1 4.43Å; L93-E95 HydrophobicContact CD2-CG 4.41Å; L93-E95 HydrophobicContact CG-CG 4.44Å; L93-E95 PolarHBondContact O-N 3.36Å; L93-L98 HydrophobicContact CD1-CD2 4.47Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-N109 PolarHBondContact O-OD1 2.92Å | ||
| 94 | N | 89.6 | Confident | 89.1 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | trans | -71.9 | 96.4 | 174.1 | -177.2 | -4.6 | 0 | 0 | 0 | 111.2 | C96 G97 N109 | N94-C96 PolarHBondContact O-N 3.5Å; N94-C96 WeakPolarHBondContact OD1-CB 3.06Å; N94-C96 PolarHBondContact OD1-N 3.26Å; N94-C96 VanDerWaalsContact OD1-N 3.12Å; N94-G97 PolarHBondContact O-N 2.87Å; N94-N109 WeakPolarHBondContact CA-OD1 3.44Å; N94-N109 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 95 | E | 91.8 | Very high | 89 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.065 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -69 | -24.3 | -177.5 | -58.7 | 94.1 | 156 | 0 | 0 | 112.9 | G83 L93 G97 L98 P102 N109 S113 Y114 | G83-E95 WeakPolarHBondContact CA-OE1 3.46Å; L93-E95 HydrophobicContact CD2-CG 4.41Å; L93-E95 HydrophobicContact CG-CG 4.44Å; L93-E95 PolarHBondContact O-N 3.36Å; E95-G97 PolarHBondContact O-N 2.04Å; E95-L98 HydrophobicContact CB-CD1 3.98Å; E95-L98 HydrophobicContact CG-CD1 4.13Å; E95-L98 VanDerWaalsContact O-CB 3.31Å; E95-L98 WeakPolarHBondContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CG 3.15Å; E95-L98 PolarHBondContact O-N 3Å; E95-P102 HydrophobicContact CB-CG 4.2Å; E95-P102 WeakPolarHBondContact O-CD 3.37Å; E95-P102 WeakPolarHBondContact O-CG 3.41Å; E95-N109 PolarHBondContact OE2-OD1 3.18Å; E95-N109 VanDerWaalsContact OE2-OD1 3.07Å; E95-S113 WeakPolarHBondContact OE1-CA 3.16Å; E95-S113 VanDerWaalsContact OE2-C 3.29Å; E95-Y114 HydrophobicContact CB-CD1 3.41Å; E95-Y114 VanDerWaalsContact CB-CD1 3.41Å; E95-Y114 HydrophobicContact CB-CE1 3.99Å; E95-Y114 HydrophobicContact CB-CG 3.81Å; E95-Y114 VanDerWaalsContact CD-CD1 3.47Å; E95-Y114 HydrophobicContact CG-CD1 3.48Å; E95-Y114 VanDerWaalsContact CG-CD1 3.48Å; E95-Y114 HydrophobicContact CG-CE1 4.01Å; E95-Y114 HydrophobicContact CG-CG 4.31Å; E95-Y114 WeakPolarHBondContact OE2-CB 3.38Å |
| 96 | C | 90.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 75 Ų | 75 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -66.9 | -20.6 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | N94 C107 M108 N109 | N94-C96 PolarHBondContact O-N 3.5Å; N94-C96 WeakPolarHBondContact OD1-CB 3.06Å; N94-C96 PolarHBondContact OD1-N 3.26Å; N94-C96 VanDerWaalsContact OD1-N 3.12Å; C96-C107 WeakPolarHBondContact CA-SG 3.38Å; C96-C107 HydrophobicContact CB-CB 3.64Å; C96-C107 WeakPolarHBondContact CB-SG 3.21Å; C96-C107 WeakPolarHBondContact SG-CB 3.03Å; C96-C107 CovalentContact SG-SG 2.04Å; C96-C107 PolarHBondContact SG-SG 3.13Å; C96-M108 PolarHBondContact SG-N 2.97Å; C96-M108 VanDerWaalsContact SG-N 3.44Å; C96-N109 PolarHBondContact SG-N 3.13Å; C96-N109 VanDerWaalsContact SG-N 3.4Å |
| 97 | G | 91.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -86 | -5.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N94 E95 | N94-G97 PolarHBondContact O-N 2.87Å; E95-G97 PolarHBondContact O-N 2.04Å |
| 98 | L | 90.3 | Very high | 88.5 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 40% | 0.398 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -75.7 | 153.1 | -178.2 | -60.4 | 175.4 | 0 | 0 | 0 | 111.8 | L93 E95 P100 R101 | L93-L98 HydrophobicContact CD1-CD2 4.47Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; E95-L98 HydrophobicContact CB-CD1 3.98Å; E95-L98 HydrophobicContact CG-CD1 4.13Å; E95-L98 VanDerWaalsContact O-CB 3.31Å; E95-L98 WeakPolarHBondContact O-CB 3.32Å; E95-L98 WeakPolarHBondContact O-CG 3.15Å; E95-L98 PolarHBondContact O-N 3Å; L98-P100 CarbonylContact C-O 3.46Å; L98-P100 CarbonylContact O-C 3.46Å; L98-P100 VanDerWaalsContact O-C 3.31Å; L98-R101 WeakPolarHBondContact O-CA 3.01Å; L98-R101 PolarHBondContact O-N 2.64Å |
| 99 | K | 89.5 | Confident | 88.3 | Confident | 204 Ų | 204 | 69.5 Ų | 69.5 | 89% | 0.887 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -118.2 | 121.8 | 171.7 | -67.1 | -174.3 | 179.9 | -176.9 | 0 | 108.9 | ||
| 100 | P | 89.2 | Confident | 87.9 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 81% | 0.812 | 37% | 0.371 | S | S | * | . | S | Bend | cis | -66.8 | 152.2 | -3 | 30.1 | -35 | 0 | 0 | 0 | 112.3 | L98 | L98-P100 CarbonylContact C-O 3.46Å; L98-P100 CarbonylContact O-C 3.46Å; L98-P100 VanDerWaalsContact O-C 3.31Å |
| 101 | R | 86 | Confident | 87.6 | Confident | 155 Ų | 155 | 74 Ų | 74 | 59% | 0.585 | 38% | 0.381 | S | S | * | . | trans | -63.9 | 139.2 | 176 | -75.3 | -174.6 | 178.6 | 138.8 | -0.6 | 109.4 | L98 C103 | L98-R101 WeakPolarHBondContact O-CA 3.01Å; L98-R101 PolarHBondContact O-N 2.64Å; R101-C103 VanDerWaalsContact C-N 3.33Å; R101-C103 PolarHBondContact O-N 2.85Å | ||
| 102 | P | 87.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 26% | 0.26 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.9 | -14.5 | -172.9 | 33.1 | -38.3 | 0 | 0 | 0 | 114 | E95 Y114 | E95-P102 HydrophobicContact CB-CG 4.2Å; E95-P102 WeakPolarHBondContact O-CD 3.37Å; E95-P102 WeakPolarHBondContact O-CG 3.41Å; P102-Y114 HydrophobicContact CB-CD2 4.17Å; P102-Y114 HydrophobicContact CB-CE1 4.3Å; P102-Y114 HydrophobicContact CB-CE2 3.49Å; P102-Y114 VanDerWaalsContact CB-CE2 3.49Å; P102-Y114 HydrophobicContact CG-CD2 3.94Å; P102-Y114 HydrophobicContact CG-CE2 3.8Å; P102-Y114 HydrophobicContact CG-CG 4.44Å |
| 103 | C | 88.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -117.4 | 146 | 179.1 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | R101 R106 C107 C116 | R101-C103 VanDerWaalsContact C-N 3.33Å; R101-C103 PolarHBondContact O-N 2.85Å; C103-R106 WeakPolarHBondContact CB-O 3.18Å; C103-C107 HydrophobicContact CB-CB 3.88Å; C103-C107 VanDerWaalsContact SG-CB 3.53Å; C103-C107 VanDerWaalsContact SG-SG 3.63Å; C103-C116 VanDerWaalsContact CA-SG 3.5Å; C103-C116 HydrophobicContact CB-CB 3.63Å; C103-C116 WeakPolarHBondContact CB-SG 3.41Å; C103-C116 WeakPolarHBondContact SG-CA 3.04Å; C103-C116 WeakPolarHBondContact SG-CB 3.16Å; C103-C116 CovalentContact SG-SG 2.03Å; C103-C116 PolarHBondContact SG-SG 2.62Å |
| 104 | E | 89.1 | Confident | 87 | Confident | 116 Ų | 116 | 71.8 Ų | 71.8 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -70.1 | -46.7 | 178.4 | -175.2 | 176.3 | 177.2 | 0 | 0 | 112.5 | S129 C130 | E104-S129 WeakPolarHBondContact OE2-CA 3.04Å; E104-S129 WeakPolarHBondContact OE2-CB 3.16Å; E104-C130 PolarHBondContact OE2-N 2.88Å |
| 105 | H | 87.8 | Confident | 86.8 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -105.3 | -92.8 | -179.1 | -72.9 | 145.6 | 0 | 0 | 0 | 112.4 | Y117 L119 Y122 C130 | H105-Y117 WeakPolarHBondContact CB-O 3.39Å; H105-L119 HydrophobicContact CB-CG 4.11Å; H105-Y122 AromaticContact CE1-CD1 3.67Å; H105-Y122 AromaticContact CE1-CD2 3.91Å; H105-Y122 AromaticContact CE1-CE1 3.8Å; H105-Y122 AromaticContact CE1-CG 3.74Å; H105-C130 VanDerWaalsContact CE1-CB 3.46Å; H105-C130 WeakPolarHBondContact CE1-CB 3.06Å; H105-C130 WeakPolarHBondContact ND1-CB 3Å; H105-C130 PolarHBondContact ND1-SG 3.43Å |
| 106 | R | 86.4 | Confident | 86.5 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.5 | -179.8 | -87.2 | -168.2 | -92.8 | -98.8 | 8 | 110.7 | C103 C116 Y117 Q142 | C103-R106 WeakPolarHBondContact CB-O 3.18Å; R106-C116 CarbonylContact O-C 3.59Å; R106-C116 WeakPolarHBondContact O-CA 3.3Å; R106-Y117 PolarHBondContact N-O 3.28Å; R106-Y117 PolarHBondContact O-N 3.14Å; R106-Q142 PolarHBondContact NH2-O 3.44Å |
| 107 | C | 88.2 | Confident | 86.2 | Confident | 33 Ų | 33 | 72.1 Ų | 72.1 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.3 | 173.3 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | C96 C103 | C96-C107 WeakPolarHBondContact CA-SG 3.38Å; C96-C107 HydrophobicContact CB-CB 3.64Å; C96-C107 WeakPolarHBondContact CB-SG 3.21Å; C96-C107 WeakPolarHBondContact SG-CB 3.03Å; C96-C107 CovalentContact SG-SG 2.04Å; C96-C107 PolarHBondContact SG-SG 3.13Å; C103-C107 HydrophobicContact CB-CB 3.88Å; C103-C107 VanDerWaalsContact SG-CB 3.53Å; C103-C107 VanDerWaalsContact SG-SG 3.63Å |
| 108 | M | 84.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.6 | 171.5 | -169.8 | 176.5 | 74.4 | 0 | 0 | 109.3 | C96 T110 Y114 K115 Y117 P157 | C96-M108 PolarHBondContact SG-N 2.97Å; C96-M108 VanDerWaalsContact SG-N 3.44Å; M108-T110 HydrophobicContact CE-CG2 4.17Å; M108-Y114 CarbonylContact O-C 3.26Å; M108-Y114 WeakPolarHBondContact O-CA 3.33Å; M108-K115 PolarHBondContact N-O 3.06Å; M108-K115 PolarHBondContact O-N 3.01Å; M108-Y117 HydrophobicContact CB-CD2 4.39Å; M108-Y117 HydrophobicContact CB-CE2 3.64Å; M108-Y117 HydrophobicContact CE-CE2 4.06Å; M108-Y117 WeakPolarHBondContact CE-OH 3Å; M108-Y117 HydrophobicContact SD-CE2 4.3Å; M108-P157 HydrophobicContact CE-CB 4.15Å; M108-P157 HydrophobicContact SD-CB 4.33Å |
| 109 | N | 84.4 | Confident | 85.7 | Confident | 53 Ų | 53 | 68.5 Ų | 68.5 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.2 | 176.9 | -172.2 | 44.6 | 0 | 0 | 0 | 110.6 | D92 L93 N94 E95 C96 | D92-N109 PolarHBondContact OD2-ND2 2.9Å; L93-N109 PolarHBondContact O-OD1 2.92Å; N94-N109 WeakPolarHBondContact CA-OD1 3.44Å; N94-N109 WeakPolarHBondContact OD1-CB 3.49Å; E95-N109 PolarHBondContact OE2-OD1 3.18Å; E95-N109 VanDerWaalsContact OE2-OD1 3.07Å; C96-N109 PolarHBondContact SG-N 3.13Å; C96-N109 VanDerWaalsContact SG-N 3.4Å |
| 110 | T | 80.8 | Confident | 85.4 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.233 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.8 | 178.3 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | M108 G112 S113 K115 | M108-T110 HydrophobicContact CE-CG2 4.17Å; T110-G112 PolarHBondContact O-N 2.87Å; T110-S113 CarbonylContact C-O 3.56Å; T110-S113 VanDerWaalsContact C-O 3.26Å; T110-S113 VanDerWaalsContact CA-O 3.29Å; T110-S113 WeakPolarHBondContact CA-O 3.37Å; T110-S113 PolarHBondContact N-O 2.03Å; T110-S113 CarbonylContact O-C 3.44Å; T110-S113 PolarHBondContact O-N 2.03Å; T110-S113 PolarHBondContact OG1-O 2.86Å; T110-K115 HydrophobicContact CG2-CG 4.39Å |
| 111 | H | 77.9 | Confident | 85.2 | Confident | 126 Ų | 126 | 56 Ų | 56 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 112.2 | -177.5 | -166.1 | 65.3 | 0 | 0 | 0 | 112.1 | H69 Y84 D92 | H69-H111 AromaticContact CE1-NE2 3.9Å; Y84-H111 AromaticContact CE1-CE1 3.91Å; Y84-H111 AromaticContact CE1-NE2 3.77Å; D92-H111 WeakPolarHBondContact OD1-CA 3.31Å; D92-H111 IonicContact OD1-ND1 3.89Å |
| 112 | G | 80.9 | Confident | 85.1 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y84 D92 T110 | Y84-G112 VanDerWaalsContact CZ-CA 3.48Å; D92-G112 PolarHBondContact OD1-N 2.8Å; T110-G112 PolarHBondContact O-N 2.87Å |
| 113 | S | 86.6 | Confident | 84.9 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | -173.6 | -178.6 | -156.5 | 0 | 0 | 0 | 0 | 112.9 | E95 T110 | E95-S113 WeakPolarHBondContact OE1-CA 3.16Å; E95-S113 VanDerWaalsContact OE2-C 3.29Å; T110-S113 CarbonylContact C-O 3.56Å; T110-S113 VanDerWaalsContact C-O 3.26Å; T110-S113 VanDerWaalsContact CA-O 3.29Å; T110-S113 WeakPolarHBondContact CA-O 3.37Å; T110-S113 PolarHBondContact N-O 2.03Å; T110-S113 CarbonylContact O-C 3.44Å; T110-S113 PolarHBondContact O-N 2.03Å; T110-S113 PolarHBondContact OG1-O 2.86Å |
| 114 | Y | 86.6 | Confident | 84.7 | Confident | 86 Ų | 86 | 56.7 Ų | 56.7 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 167.1 | 171.1 | 63.7 | -77.8 | 0 | 0 | 0 | 110.5 | E95 P102 M108 | E95-Y114 HydrophobicContact CB-CD1 3.41Å; E95-Y114 VanDerWaalsContact CB-CD1 3.41Å; E95-Y114 HydrophobicContact CB-CE1 3.99Å; E95-Y114 HydrophobicContact CB-CG 3.81Å; E95-Y114 VanDerWaalsContact CD-CD1 3.47Å; E95-Y114 HydrophobicContact CG-CD1 3.48Å; E95-Y114 VanDerWaalsContact CG-CD1 3.48Å; E95-Y114 HydrophobicContact CG-CE1 4.01Å; E95-Y114 HydrophobicContact CG-CG 4.31Å; E95-Y114 WeakPolarHBondContact OE2-CB 3.38Å; P102-Y114 HydrophobicContact CB-CD2 4.17Å; P102-Y114 HydrophobicContact CB-CE1 4.3Å; P102-Y114 HydrophobicContact CB-CE2 3.49Å; P102-Y114 VanDerWaalsContact CB-CE2 3.49Å; P102-Y114 HydrophobicContact CG-CD2 3.94Å; P102-Y114 HydrophobicContact CG-CE2 3.8Å; P102-Y114 HydrophobicContact CG-CG 4.44Å; M108-Y114 CarbonylContact O-C 3.26Å; M108-Y114 WeakPolarHBondContact O-CA 3.33Å |
| 115 | K | 84.1 | Confident | 84.5 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.9 | 173.7 | -68 | -176 | 174.9 | -176 | 0 | 110.9 | M108 T110 Y117 | M108-K115 PolarHBondContact N-O 3.06Å; M108-K115 PolarHBondContact O-N 3.01Å; T110-K115 HydrophobicContact CG2-CG 4.39Å; K115-Y117 HydrophobicContact CB-CE1 4.24Å; K115-Y117 HydrophobicContact CB-CE2 3.85Å; K115-Y117 VanDerWaalsContact CB-CZ 3.42Å; K115-Y117 WeakPolarHBondContact CB-OH 3.37Å; K115-Y117 WeakPolarHBondContact CD-OH 3.29Å |
| 116 | C | 86.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 10% | 0.095 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 144.5 | 177 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | C103 R106 L124 | C103-C116 VanDerWaalsContact CA-SG 3.5Å; C103-C116 HydrophobicContact CB-CB 3.63Å; C103-C116 WeakPolarHBondContact CB-SG 3.41Å; C103-C116 WeakPolarHBondContact SG-CA 3.04Å; C103-C116 WeakPolarHBondContact SG-CB 3.16Å; C103-C116 CovalentContact SG-SG 2.03Å; C103-C116 PolarHBondContact SG-SG 2.62Å; R106-C116 CarbonylContact O-C 3.59Å; R106-C116 WeakPolarHBondContact O-CA 3.3Å; C116-L124 HydrophobicContact CB-CD1 4Å; C116-L124 WeakPolarHBondContact O-CD2 3.47Å |
| 117 | Y | 83.4 | Confident | 84 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.2 | 175.1 | -50 | -72.1 | 0 | 0 | 0 | 110.8 | H105 R106 M108 K115 P157 | H105-Y117 WeakPolarHBondContact CB-O 3.39Å; R106-Y117 PolarHBondContact N-O 3.28Å; R106-Y117 PolarHBondContact O-N 3.14Å; M108-Y117 HydrophobicContact CB-CD2 4.39Å; M108-Y117 HydrophobicContact CB-CE2 3.64Å; M108-Y117 HydrophobicContact CE-CE2 4.06Å; M108-Y117 WeakPolarHBondContact CE-OH 3Å; M108-Y117 HydrophobicContact SD-CE2 4.3Å; K115-Y117 HydrophobicContact CB-CE1 4.24Å; K115-Y117 HydrophobicContact CB-CE2 3.85Å; K115-Y117 VanDerWaalsContact CB-CZ 3.42Å; K115-Y117 WeakPolarHBondContact CB-OH 3.37Å; K115-Y117 WeakPolarHBondContact CD-OH 3.29Å; Y117-P157 HydrophobicContact CD1-CB 3.62Å; Y117-P157 HydrophobicContact CD2-CB 3.77Å; Y117-P157 HydrophobicContact CE1-CB 3.15Å; Y117-P157 WeakPolarHBondContact CE1-O 3.37Å; Y117-P157 HydrophobicContact CE2-CB 3.29Å; Y117-P157 HydrophobicContact CE2-CG 4.47Å; Y117-P157 HydrophobicContact CG-CB 3.9Å; Y117-P157 WeakPolarHBondContact OH-CA 3.49Å; Y117-P157 WeakPolarHBondContact OH-CB 3.34Å; Y117-P157 PolarHBondContact OH-O 3.06Å |
| 118 | C | 85.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -97 | 154 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | L124 C130 | C118-L124 VanDerWaalsContact SG-CA 3.53Å; C118-C130 WeakPolarHBondContact CA-SG 3.46Å; C118-C130 HydrophobicContact CB-CB 3.75Å; C118-C130 WeakPolarHBondContact CB-SG 3.35Å; C118-C130 WeakPolarHBondContact SG-CA 3.46Å; C118-C130 WeakPolarHBondContact SG-CB 3.5Å; C118-C130 CovalentContact SG-SG 2.03Å; C118-C130 PolarHBondContact SG-SG 3.44Å |
| 119 | L | 84.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 170.2 | 170.3 | -62.3 | -179.8 | 0 | 0 | 0 | 110.9 | H105 G121 Y122 | H105-L119 HydrophobicContact CB-CG 4.11Å; L119-G121 PolarHBondContact O-N 3.46Å; L119-Y122 HydrophobicContact CB-CD2 4.37Å; L119-Y122 PolarHBondContact O-N 3.12Å |
| 120 | N | 84.9 | Confident | 83.9 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 136.9 | 175.5 | -172.7 | -92.6 | 0 | 0 | 0 | 111.3 | Y122 H140 C141 | N120-Y122 WeakPolarHBondContact O-CD2 3.5Å; N120-H140 WeakPolarHBondContact ND2-CA 3.33Å; N120-C141 PolarHBondContact ND2-N 3.03Å; N120-C141 PolarHBondContact ND2-O 3.26Å |
| 121 | G | 83.7 | Confident | 84.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L119 S133 S137 | L119-G121 PolarHBondContact O-N 3.46Å; G121-S133 PolarHBondContact O-N 2.78Å; G121-S137 VanDerWaalsContact CA-OG 3.28Å; G121-S137 WeakPolarHBondContact CA-OG 3.35Å |
| 122 | Y | 85.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.8 | 179.4 | -67.2 | -100.1 | 0 | 0 | 0 | 112.1 | H105 L119 N120 C130 A131 N132 | H105-Y122 AromaticContact CE1-CD1 3.67Å; H105-Y122 AromaticContact CE1-CD2 3.91Å; H105-Y122 AromaticContact CE1-CE1 3.8Å; H105-Y122 AromaticContact CE1-CG 3.74Å; L119-Y122 HydrophobicContact CB-CD2 4.37Å; L119-Y122 PolarHBondContact O-N 3.12Å; N120-Y122 WeakPolarHBondContact O-CD2 3.5Å; Y122-C130 HydrophobicContact CD1-CB 4.08Å; Y122-C130 HydrophobicContact CG-CB 4.43Å; Y122-A131 CarbonylContact C-O 3.31Å; Y122-A131 WeakPolarHBondContact CA-O 3.03Å; Y122-N132 HydrophobicContact CD1-CB 4.38Å; Y122-N132 HydrophobicContact CE1-CB 4.19Å |
| 123 | M | 82.9 | Confident | 85 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.3 | 171.7 | -72.4 | -174.5 | -53 | 0 | 0 | 110.2 | C130 A131 C145 | M123-C130 WeakPolarHBondContact O-CA 3.5Å; M123-A131 PolarHBondContact N-O 3.02Å; M123-A131 PolarHBondContact O-N 3.21Å; M123-C145 VanDerWaalsContact CG-SG 3.57Å |
| 124 | L | 84.6 | Confident | 84.8 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.9 | 176.5 | -176.6 | 69.9 | 0 | 0 | 0 | 110.2 | C116 C118 | C116-L124 HydrophobicContact CB-CD1 4Å; C116-L124 WeakPolarHBondContact O-CD2 3.47Å; C118-L124 VanDerWaalsContact SG-CA 3.53Å |
| 125 | M | 84.8 | Confident | 84.7 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 161.9 | 177 | -60 | -62.4 | -70.6 | 0 | 0 | 110.8 | D127 G128 S129 A131 | M125-D127 WeakPolarHBondContact CB-OD1 3.37Å; M125-D127 PolarHBondContact O-N 3.38Å; M125-D127 VanDerWaalsContact O-N 3.14Å; M125-G128 PolarHBondContact O-N 3.02Å; M125-S129 WeakPolarHBondContact CB-O 3.48Å; M125-S129 WeakPolarHBondContact CB-OG 3.43Å; M125-S129 PolarHBondContact N-O 3.4Å; M125-A131 HydrophobicContact CG-CB 4.01Å; M125-A131 HydrophobicContact SD-CB 3.8Å |
| 126 | S | 81.3 | Confident | 84.6 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 94% | 0.944 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.6 | -178 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 127 | D | 83.1 | Confident | 84.5 | Confident | 119 Ų | 119 | 59 Ų | 59 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 0.8 | 177.1 | 63.7 | -8.9 | 0 | 0 | 0 | 113.2 | M125 S129 | M125-D127 WeakPolarHBondContact CB-OD1 3.37Å; M125-D127 PolarHBondContact O-N 3.38Å; M125-D127 VanDerWaalsContact O-N 3.14Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.38Å; D127-S129 PolarHBondContact OD1-N 2.76Å; D127-S129 PolarHBondContact OD1-OG 2.78Å; D127-S129 PolarHBondContact OD2-OG 2.87Å |
| 128 | G | 78.5 | Confident | 84.6 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 86.2 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M125 | M125-G128 PolarHBondContact O-N 3.02Š|
| 129 | S | 87 | Confident | 84.5 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | trans | -79.3 | 165.2 | 172.8 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | E104 M125 D127 | E104-S129 WeakPolarHBondContact OE2-CA 3.04Å; E104-S129 WeakPolarHBondContact OE2-CB 3.16Å; M125-S129 WeakPolarHBondContact CB-O 3.48Å; M125-S129 WeakPolarHBondContact CB-OG 3.43Å; M125-S129 PolarHBondContact N-O 3.4Å; D127-S129 VanDerWaalsContact C-N 3.34Å; D127-S129 VanDerWaalsContact CG-OG 3.29Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.38Å; D127-S129 PolarHBondContact OD1-N 2.76Å; D127-S129 PolarHBondContact OD1-OG 2.78Å; D127-S129 PolarHBondContact OD2-OG 2.87Å | ||
| 130 | C | 88.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.1 | -175.5 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | E104 H105 C118 Y122 M123 | E104-C130 PolarHBondContact OE2-N 2.88Å; H105-C130 VanDerWaalsContact CE1-CB 3.46Å; H105-C130 WeakPolarHBondContact CE1-CB 3.06Å; H105-C130 WeakPolarHBondContact ND1-CB 3Å; H105-C130 PolarHBondContact ND1-SG 3.43Å; C118-C130 WeakPolarHBondContact CA-SG 3.46Å; C118-C130 HydrophobicContact CB-CB 3.75Å; C118-C130 WeakPolarHBondContact CB-SG 3.35Å; C118-C130 WeakPolarHBondContact SG-CA 3.46Å; C118-C130 WeakPolarHBondContact SG-CB 3.5Å; C118-C130 CovalentContact SG-SG 2.03Å; C118-C130 PolarHBondContact SG-SG 3.44Å; Y122-C130 HydrophobicContact CD1-CB 4.08Å; Y122-C130 HydrophobicContact CG-CB 4.43Å; M123-C130 WeakPolarHBondContact O-CA 3.5Å |
| 131 | A | 88.8 | Confident | 84.6 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y122 M123 M125 S133 | Y122-A131 CarbonylContact C-O 3.31Å; Y122-A131 WeakPolarHBondContact CA-O 3.03Å; M123-A131 PolarHBondContact N-O 3.02Å; M123-A131 PolarHBondContact O-N 3.21Å; M125-A131 HydrophobicContact CG-CB 4.01Å; M125-A131 HydrophobicContact SD-CB 3.8Å; A131-S133 PolarHBondContact O-N 2.04Å |
| 132 | N | 87.9 | Confident | 84.6 | Confident | 110 Ų | 110 | 68 Ų | 68 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 134 | 174.3 | -179.8 | -51.4 | 0 | 0 | 0 | 110.6 | Y122 | Y122-N132 HydrophobicContact CD1-CB 4.38Å; Y122-N132 HydrophobicContact CE1-CB 4.19Å |
| 133 | S | 86.8 | Confident | 84.3 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | trans | -138.1 | 113.5 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | G121 A131 T135 C136 S137 | G121-S133 PolarHBondContact O-N 2.78Å; A131-S133 PolarHBondContact O-N 2.04Å; S133-T135 VanDerWaalsContact C-N 3.29Å; S133-T135 PolarHBondContact O-N 2.03Å; S133-T135 PolarHBondContact OG-OG1 3.03Å; S133-C136 PolarHBondContact O-N 2.96Å; S133-C136 VanDerWaalsContact O-N 3.13Å; S133-C136 PolarHBondContact OG-SG 3.05Å; S133-C136 VanDerWaalsContact OG-SG 3.38Å; S133-S137 PolarHBondContact O-N 3.21Å; S133-S137 PolarHBondContact O-OG 3.44Å; S133-S137 VanDerWaalsContact O-OG 3.1Å | ||
| 134 | R | 82.3 | Confident | 84.1 | Confident | 212 Ų | 212 | 63.7 Ų | 63.7 | 80% | 0.8 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.2 | -35.2 | 179.1 | -61.6 | -176 | -169.8 | 180 | 3 | 112.7 | C136 S137 I138 | R134-C136 VanDerWaalsContact C-N 3.31Å; R134-S137 PolarHBondContact O-N 3.46Å; R134-I138 WeakPolarHBondContact O-CG1 3.35Å; R134-I138 PolarHBondContact O-N 3.28Å |
| 135 | T | 83.3 | Confident | 84.2 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 31% | 0.307 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.7 | 28.4 | 0 | 0 | 0 | 0 | 110.1 | S133 S137 I138 A139 I152 | S133-T135 VanDerWaalsContact C-N 3.29Å; S133-T135 PolarHBondContact O-N 2.03Å; S133-T135 PolarHBondContact OG-OG1 3.03Å; T135-S137 VanDerWaalsContact C-N 3.35Å; T135-S137 PolarHBondContact O-N 2.71Å; T135-I138 PolarHBondContact O-N 2.97Å; T135-A139 PolarHBondContact O-N 2.65Å; T135-I152 HydrophobicContact CG2-CD1 3.97Å; T135-I152 HydrophobicContact CG2-CG1 4.43Å; T135-I152 WeakPolarHBondContact O-CD1 3.34Å |
| 136 | C | 83.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.034 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.4 | -25.2 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 114.5 | S133 R134 I138 A139 C145 | S133-C136 PolarHBondContact O-N 2.96Å; S133-C136 VanDerWaalsContact O-N 3.13Å; S133-C136 PolarHBondContact OG-SG 3.05Å; S133-C136 VanDerWaalsContact OG-SG 3.38Å; R134-C136 VanDerWaalsContact C-N 3.31Å; C136-I138 PolarHBondContact O-N 2.81Å; C136-A139 PolarHBondContact O-N 3.08Å; C136-C145 HydrophobicContact CB-CB 3.78Å; C136-C145 WeakPolarHBondContact CB-SG 3.04Å; C136-C145 WeakPolarHBondContact SG-CB 3.42Å; C136-C145 CovalentContact SG-SG 1.96Å; C136-C145 PolarHBondContact SG-SG 2.69Å |
| 137 | S | 84.6 | Confident | 84.2 | Confident | 48 Ų | 48 | 59 Ų | 59 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 173 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | G121 S133 R134 T135 | G121-S137 VanDerWaalsContact CA-OG 3.28Å; G121-S137 WeakPolarHBondContact CA-OG 3.35Å; S133-S137 PolarHBondContact O-N 3.21Å; S133-S137 PolarHBondContact O-OG 3.44Å; S133-S137 VanDerWaalsContact O-OG 3.1Å; R134-S137 PolarHBondContact O-N 3.46Å; T135-S137 VanDerWaalsContact C-N 3.35Å; T135-S137 PolarHBondContact O-N 2.71Å |
| 138 | I | 85.4 | Confident | 84.2 | Confident | 126 Ų | 126 | 55.5 Ų | 55.5 | 65% | 0.646 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.5 | -30.9 | 179.3 | -61.4 | 166 | 0 | 0 | 0 | 111.3 | R134 T135 C136 H140 | R134-I138 WeakPolarHBondContact O-CG1 3.35Å; R134-I138 PolarHBondContact O-N 3.28Å; T135-I138 PolarHBondContact O-N 2.97Å; C136-I138 PolarHBondContact O-N 2.81Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-CD2 3.12Å; I138-H140 PolarHBondContact O-N 3.45Å |
| 139 | A | 83.3 | Confident | 84.4 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -20.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T135 C136 C141 I152 R168 | T135-A139 PolarHBondContact O-N 2.65Å; C136-A139 PolarHBondContact O-N 3.08Å; A139-C141 PolarHBondContact O-N 3.04Å; A139-I152 HydrophobicContact CB-CB 4.49Å; A139-I152 HydrophobicContact CB-CG2 3.61Å; A139-R168 WeakPolarHBondContact O-CD 3.3Å; A139-R168 PolarHBondContact O-NE 2.81Å |
| 140 | H | 85.4 | Confident | 84.1 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33.7 | -178.9 | -66.8 | -71.6 | 0 | 0 | 0 | 113.8 | N120 I138 | N120-H140 WeakPolarHBondContact ND2-CA 3.33Å; I138-H140 VanDerWaalsContact C-N 3.26Å; I138-H140 PolarHBondContact O-CD2 3.12Å; I138-H140 PolarHBondContact O-N 3.45Å |
| 141 | C | 85.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | trans | -64.3 | 139.1 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | N120 A139 Y143 C154 | N120-C141 PolarHBondContact ND2-N 3.03Å; N120-C141 PolarHBondContact ND2-O 3.26Å; A139-C141 PolarHBondContact O-N 3.04Å; C141-Y143 WeakPolarHBondContact CB-O 3.44Å; C141-C154 WeakPolarHBondContact CA-SG 3.05Å; C141-C154 HydrophobicContact CB-CB 3.58Å; C141-C154 WeakPolarHBondContact CB-SG 3.42Å; C141-C154 WeakPolarHBondContact SG-CA 3.09Å; C141-C154 WeakPolarHBondContact SG-CB 3.38Å; C141-C154 CovalentContact SG-SG 2.03Å; C141-C154 PolarHBondContact SG-SG 3.41Å | ||
| 142 | Q | 83.7 | Confident | 83.7 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -67.7 | -39.2 | 176.2 | -176 | -176.5 | 2.9 | 0 | 0 | 112 | R106 R168 T169 | R106-Q142 PolarHBondContact NH2-O 3.44Å; Q142-R168 WeakPolarHBondContact CB-O 3.06Å; Q142-R168 PolarHBondContact N-O 3.25Å; Q142-T169 HydrophobicContact CB-CG2 4.41Å; Q142-T169 VanDerWaalsContact OE1-CB 3.28Å |
| 143 | Y | 78.5 | Confident | 83.6 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -122.4 | 164 | 173.2 | -58.7 | -80 | 0 | 0 | 0 | 107.8 | C141 L155 P157 C170 | C141-Y143 WeakPolarHBondContact CB-O 3.44Å; Y143-L155 VanDerWaalsContact CB-O 3.27Å; Y143-L155 WeakPolarHBondContact CB-O 3.35Å; Y143-P157 HydrophobicContact CD1-CG 3.75Å; Y143-P157 HydrophobicContact CD2-CG 4.02Å; Y143-P157 HydrophobicContact CE1-CG 3.95Å; Y143-P157 HydrophobicContact CE2-CG 4.2Å; Y143-P157 HydrophobicContact CG-CG 3.78Å; Y143-C170 HydrophobicContact CD2-CB 3.77Å; Y143-C170 VanDerWaalsContact CD2-SG 3.55Å; Y143-C170 HydrophobicContact CE2-CB 3.78Å |
| 144 | G | 79.4 | Confident | 83.7 | Confident | 11 Ų | 11 | 73.6 Ų | 73.6 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | trans | -46.3 | 171.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L155 | G144-L155 WeakPolarHBondContact O-CB 3.44Å; G144-L155 PolarHBondContact O-N 2.97Å | ||
| 145 | C | 86.1 | Confident | 83.8 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 160 | -171.9 | 54 | 0 | 0 | 0 | 0 | 111.1 | M123 C136 I152 R153 | M123-C145 VanDerWaalsContact CG-SG 3.57Å; C136-C145 HydrophobicContact CB-CB 3.78Å; C136-C145 WeakPolarHBondContact CB-SG 3.04Å; C136-C145 WeakPolarHBondContact SG-CB 3.42Å; C136-C145 CovalentContact SG-SG 1.96Å; C136-C145 PolarHBondContact SG-SG 2.69Å; C145-I152 HydrophobicContact CB-CG2 4.27Å; C145-R153 CarbonylContact C-O 3.57Å; C145-R153 WeakPolarHBondContact CA-O 3.38Å |
| 146 | E | 84.3 | Confident | 84 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157 | 161.9 | 60.2 | 175.8 | -169.3 | 0 | 0 | 111.1 | V148 R153 L155 | E146-V148 HydrophobicContact CG-CG2 3.79Å; E146-V148 WeakPolarHBondContact OE1-CG2 3.31Å; E146-R153 HydrophobicContact CG-CB 4.15Å; E146-R153 PolarHBondContact N-O 3.07Å; E146-R153 PolarHBondContact O-N 2.73Å; E146-L155 HydrophobicContact CB-CD1 3.9Å; E146-L155 HydrophobicContact CB-CG 4.32Å; E146-L155 HydrophobicContact CG-CD1 3.91Å; E146-L155 HydrophobicContact CG-CD2 3.73Å; E146-L155 HydrophobicContact CG-CG 3.85Å |
| 147 | E | 82.9 | Confident | 83.8 | Confident | 118 Ų | 118 | 66 Ų | 66 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.6 | 172.4 | -168.9 | 175.2 | 175.4 | 0 | 0 | 108.4 | E151 | E147-E151 WeakPolarHBondContact CA-O 3.19Å |
| 148 | V | 82.8 | Confident | 83.6 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.6 | -179 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | E146 G150 E151 | E146-V148 HydrophobicContact CG-CG2 3.79Å; E146-V148 WeakPolarHBondContact OE1-CG2 3.31Å; V148-G150 PolarHBondContact O-N 3.02Å; V148-G150 VanDerWaalsContact O-N 3.07Å; V148-E151 PolarHBondContact N-O 2.04Å; V148-E151 PolarHBondContact O-N 2.97Å |
| 149 | E | 83 | Confident | 83.5 | Confident | 199 Ų | 199 | 63 Ų | 63 | 93% | 0.93 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25.7 | 177.8 | -59.1 | -176.5 | 163.2 | 0 | 0 | 114.6 | ||
| 150 | G | 79.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 61% | 0.608 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 3.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V148 | V148-G150 PolarHBondContact O-N 3.02Å; V148-G150 VanDerWaalsContact O-N 3.07Å |
| 151 | E | 84.8 | Confident | 83.8 | Confident | 125 Ų | 125 | 57.4 Ų | 57.4 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.3 | 169.1 | -66.1 | -172.7 | 167.7 | 0 | 0 | 110.7 | E147 V148 | E147-E151 WeakPolarHBondContact CA-O 3.19Å; V148-E151 PolarHBondContact N-O 2.04Å; V148-E151 PolarHBondContact O-N 2.97Å |
| 152 | I | 85.1 | Confident | 84 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.5 | 176.3 | -56.5 | 157.9 | 0 | 0 | 0 | 108.2 | T135 A139 C145 | T135-I152 HydrophobicContact CG2-CD1 3.97Å; T135-I152 HydrophobicContact CG2-CG1 4.43Å; T135-I152 WeakPolarHBondContact O-CD1 3.34Å; A139-I152 HydrophobicContact CB-CB 4.49Å; A139-I152 HydrophobicContact CB-CG2 3.61Å; C145-I152 HydrophobicContact CB-CG2 4.27Å |
| 153 | R | 86.5 | Confident | 84.4 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.9 | 176.1 | -70.6 | -174.7 | 159.4 | 170.1 | -0.7 | 110.2 | C145 E146 | C145-R153 CarbonylContact C-O 3.57Å; C145-R153 WeakPolarHBondContact CA-O 3.38Å; E146-R153 HydrophobicContact CG-CB 4.15Å; E146-R153 PolarHBondContact N-O 3.07Å; E146-R153 PolarHBondContact O-N 2.73Å |
| 154 | C | 88.3 | Confident | 85 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.8 | 171.3 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | C141 L163 E167 | C141-C154 WeakPolarHBondContact CA-SG 3.05Å; C141-C154 HydrophobicContact CB-CB 3.58Å; C141-C154 WeakPolarHBondContact CB-SG 3.42Å; C141-C154 WeakPolarHBondContact SG-CA 3.09Å; C141-C154 WeakPolarHBondContact SG-CB 3.38Å; C141-C154 CovalentContact SG-SG 2.03Å; C141-C154 PolarHBondContact SG-SG 3.41Å; C154-L163 HydrophobicContact CB-CD2 3.85Å; C154-E167 WeakPolarHBondContact CB-O 3.41Å; C154-E167 PolarHBondContact SG-O 2.89Å; C154-E167 VanDerWaalsContact SG-O 3.37Å |
| 155 | L | 85.1 | Confident | 85.6 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | trans | -109.9 | 133.5 | -177.8 | -67.5 | 178.6 | 0 | 0 | 0 | 110.5 | Y143 G144 E146 | Y143-L155 VanDerWaalsContact CB-O 3.27Å; Y143-L155 WeakPolarHBondContact CB-O 3.35Å; G144-L155 WeakPolarHBondContact O-CB 3.44Å; G144-L155 PolarHBondContact O-N 2.97Å; E146-L155 HydrophobicContact CB-CD1 3.9Å; E146-L155 HydrophobicContact CB-CG 4.32Å; E146-L155 HydrophobicContact CG-CD1 3.91Å; E146-L155 HydrophobicContact CG-CD2 3.73Å; E146-L155 HydrophobicContact CG-CG 3.85Å | ||
| 156 | C | 86.6 | Confident | 85.8 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | trans | -87.2 | 142 | 170.3 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | S158 L161 Q162 C170 | C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.26Å; C156-L161 HydrophobicContact CB-CB 3.73Å; C156-Q162 VanDerWaalsContact SG-C 3.55Å; C156-C170 WeakPolarHBondContact CA-SG 3.49Å; C156-C170 HydrophobicContact CB-CB 3.92Å; C156-C170 WeakPolarHBondContact CB-SG 3.35Å; C156-C170 WeakPolarHBondContact SG-CB 3.46Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.34Å | ||
| 157 | P | 79.5 | Confident | 86.1 | Confident | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.058 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -66 | -35.8 | -167 | 12.3 | -20.3 | 0 | 0 | 0 | 113.4 | M108 Y117 Y143 L161 | M108-P157 HydrophobicContact CE-CB 4.15Å; M108-P157 HydrophobicContact SD-CB 4.33Å; Y117-P157 HydrophobicContact CD1-CB 3.62Å; Y117-P157 HydrophobicContact CD2-CB 3.77Å; Y117-P157 HydrophobicContact CE1-CB 3.15Å; Y117-P157 WeakPolarHBondContact CE1-O 3.37Å; Y117-P157 HydrophobicContact CE2-CB 3.29Å; Y117-P157 HydrophobicContact CE2-CG 4.47Å; Y117-P157 HydrophobicContact CG-CB 3.9Å; Y117-P157 WeakPolarHBondContact OH-CA 3.49Å; Y117-P157 WeakPolarHBondContact OH-CB 3.34Å; Y117-P157 PolarHBondContact OH-O 3.06Å; Y143-P157 HydrophobicContact CD1-CG 3.75Å; Y143-P157 HydrophobicContact CD2-CG 4.02Å; Y143-P157 HydrophobicContact CE1-CG 3.95Å; Y143-P157 HydrophobicContact CE2-CG 4.2Å; Y143-P157 HydrophobicContact CG-CG 3.78Å; P157-L161 HydrophobicContact CB-CD1 4.43Å; P157-L161 HydrophobicContact CG-CD1 3.4Å; P157-L161 VanDerWaalsContact CG-CD1 3.4Å |
| 158 | S | 80.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 77 Ų | 77 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -124.6 | 162.9 | 177.4 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | C156 G160 L161 G194 | C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.26Å; S158-G160 PolarHBondContact O-N 2.82Å; S158-L161 PolarHBondContact O-N 3.43Å; S158-L161 VanDerWaalsContact O-N 3.13Å; S158-L161 WeakPolarHBondContact OG-CG 3.46Å; S158-G194 WeakPolarHBondContact CB-O 3.06Å; S158-G194 VanDerWaalsContact OG-C 3.31Å; S158-G194 WeakPolarHBondContact OG-CA 3.26Å; S158-G194 PolarHBondContact OG-O 2.69Å |
| 159 | A | 82.1 | Confident | 86.7 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 160 | G | 86.1 | Confident | 87 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 6.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S158 I173 E175 | S158-G160 PolarHBondContact O-N 2.82Å; G160-I173 VanDerWaalsContact O-CB 3.3Å; G160-I173 WeakPolarHBondContact O-CB 3.21Å; G160-I173 PolarHBondContact O-N 3.2Å; G160-E175 WeakPolarHBondContact CA-OE1 3.47Å |
| 161 | L | 88.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143 | 174.3 | -62.2 | 174 | 0 | 0 | 0 | 109.5 | C156 P157 S158 C170 V171 D172 F193 G194 | C156-L161 HydrophobicContact CB-CB 3.73Å; P157-L161 HydrophobicContact CB-CD1 4.43Å; P157-L161 HydrophobicContact CG-CD1 3.4Å; P157-L161 VanDerWaalsContact CG-CD1 3.4Å; S158-L161 PolarHBondContact O-N 3.43Å; S158-L161 VanDerWaalsContact O-N 3.13Å; S158-L161 WeakPolarHBondContact OG-CG 3.46Å; L161-C170 HydrophobicContact CB-CB 4.26Å; L161-C170 HydrophobicContact CD1-CB 4.32Å; L161-V171 WeakPolarHBondContact CA-O 3.32Å; L161-D172 HydrophobicContact CD2-CB 4.17Å; L161-F193 HydrophobicContact CD1-CE1 3.86Å; L161-F193 HydrophobicContact CD1-CZ 4.26Å; L161-F193 HydrophobicContact CD2-CD1 4.16Å; L161-F193 HydrophobicContact CD2-CD2 4.26Å; L161-F193 HydrophobicContact CD2-CE1 3.8Å; L161-F193 HydrophobicContact CD2-CE2 3.91Å; L161-F193 HydrophobicContact CD2-CG 4.39Å; L161-F193 HydrophobicContact CD2-CZ 3.66Å; L161-F193 HydrophobicContact CG-CE1 4.49Å; L161-G194 VanDerWaalsContact CD2-CA 3.47Å |
| 162 | Q | 91.4 | Very high | 88 | Confident | 110 Ų | 110 | 65 Ų | 65 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.1 | 174.2 | 62.4 | 179.7 | 28 | 0 | 0 | 111 | C156 G164 C170 V171 I173 | C156-Q162 VanDerWaalsContact SG-C 3.55Å; Q162-G164 PolarHBondContact O-N 3.27Å; Q162-C170 CarbonylContact O-C 3.53Å; Q162-C170 WeakPolarHBondContact O-CA 3.44Å; Q162-V171 PolarHBondContact N-O 3.23Å; Q162-V171 PolarHBondContact O-N 2.87Å; Q162-I173 HydrophobicContact CB-CD1 3.98Å; Q162-I173 HydrophobicContact CB-CG1 3.97Å; Q162-I173 HydrophobicContact CG-CD1 4.36Å; Q162-I173 HydrophobicContact CG-CG1 3.81Å |
| 163 | L | 92.1 | Very high | 88.2 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 135.4 | 172.4 | -73.3 | 168.7 | 0 | 0 | 0 | 110.4 | C154 T169 | C154-L163 HydrophobicContact CB-CD2 3.85Å; L163-T169 CarbonylContact C-O 3.54Å; L163-T169 WeakPolarHBondContact CA-O 3.46Å |
| 164 | G | 91 | Very high | 88.4 | Confident | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | trans | -68.3 | -179.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q162 D166 E167 T169 | Q162-G164 PolarHBondContact O-N 3.27Å; G164-D166 PolarHBondContact O-N 3.02Å; G164-D166 VanDerWaalsContact O-N 3.11Å; G164-E167 PolarHBondContact O-N 2.93Å; G164-T169 PolarHBondContact N-O 3.38Å | ||
| 165 | Q | 91.8 | Very high | 88.5 | Confident | 210 Ų | 210 | 60.6 Ų | 60.6 | 98% | 0.981 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.5 | 178.7 | -66.3 | -179.4 | -4.8 | 0 | 0 | 113.6 | ||
| 166 | D | 90.5 | Very high | 88.7 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.2 | 179 | 64.9 | -7.6 | 0 | 0 | 0 | 113.5 | G164 R168 T169 | G164-D166 PolarHBondContact O-N 3.02Å; G164-D166 VanDerWaalsContact O-N 3.11Å; D166-R168 WeakPolarHBondContact O-CG 3.29Å; D166-R168 PolarHBondContact O-N 3.31Å; D166-R168 VanDerWaalsContact O-N 3.08Å; D166-R168 PolarHBondContact OD1-N 2.68Å; D166-R168 VanDerWaalsContact OD1-N 3.1Å; D166-T169 PolarHBondContact OD1-N 3.45Å; D166-T169 PolarHBondContact OD1-OG1 3.01Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-N 3.35Å; D166-T169 PolarHBondContact OD2-OG1 2.82Å |
| 167 | E | 89.3 | Confident | 88.8 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 69% | 0.692 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 55.6 | 20.5 | -175.8 | -59.5 | -179.4 | 175 | 0 | 0 | 114.1 | C154 G164 | C154-E167 WeakPolarHBondContact CB-O 3.41Å; C154-E167 PolarHBondContact SG-O 2.89Å; C154-E167 VanDerWaalsContact SG-O 3.37Å; G164-E167 PolarHBondContact O-N 2.93Å |
| 168 | R | 88.4 | Confident | 89 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 45% | 0.445 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -130.9 | -34 | -175.3 | -68.5 | 173.5 | -170.5 | -167.8 | -1.7 | 113.5 | A139 Q142 D166 | A139-R168 WeakPolarHBondContact O-CD 3.3Å; A139-R168 PolarHBondContact O-NE 2.81Å; Q142-R168 WeakPolarHBondContact CB-O 3.06Å; Q142-R168 PolarHBondContact N-O 3.25Å; D166-R168 WeakPolarHBondContact O-CG 3.29Å; D166-R168 PolarHBondContact O-N 3.31Å; D166-R168 VanDerWaalsContact O-N 3.08Å; D166-R168 PolarHBondContact OD1-N 2.68Å; D166-R168 VanDerWaalsContact OD1-N 3.1Å |
| 169 | T | 89.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -96.3 | 151.8 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | Q142 L163 G164 D166 | Q142-T169 HydrophobicContact CB-CG2 4.41Å; Q142-T169 VanDerWaalsContact OE1-CB 3.28Å; L163-T169 CarbonylContact C-O 3.54Å; L163-T169 WeakPolarHBondContact CA-O 3.46Å; G164-T169 PolarHBondContact N-O 3.38Å; D166-T169 PolarHBondContact OD1-N 3.45Å; D166-T169 PolarHBondContact OD1-OG1 3.01Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-N 3.35Å; D166-T169 PolarHBondContact OD2-OG1 2.82Å |
| 170 | C | 90.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.3 | 176.5 | -66 | 0 | 0 | 0 | 0 | 109.9 | Y143 C156 L161 Q162 | Y143-C170 HydrophobicContact CD2-CB 3.77Å; Y143-C170 VanDerWaalsContact CD2-SG 3.55Å; Y143-C170 HydrophobicContact CE2-CB 3.78Å; C156-C170 WeakPolarHBondContact CA-SG 3.49Å; C156-C170 HydrophobicContact CB-CB 3.92Å; C156-C170 WeakPolarHBondContact CB-SG 3.35Å; C156-C170 WeakPolarHBondContact SG-CB 3.46Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.34Å; L161-C170 HydrophobicContact CB-CB 4.26Å; L161-C170 HydrophobicContact CD1-CB 4.32Å; Q162-C170 CarbonylContact O-C 3.53Å; Q162-C170 WeakPolarHBondContact O-CA 3.44Å |
| 171 | V | 92 | Very high | 86.6 | Confident | 69 Ų | 69 | 80.6 Ų | 80.6 | 42% | 0.418 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.6 | 178.8 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | L161 Q162 | L161-V171 WeakPolarHBondContact CA-O 3.32Å; Q162-V171 PolarHBondContact N-O 3.23Å; Q162-V171 PolarHBondContact O-N 2.87Å |
| 172 | D | 92.1 | Very high | 86.2 | Confident | 42 Ų | 42 | 83 Ų | 83 | 23% | 0.225 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.2 | 177.7 | -167.7 | 51.7 | 0 | 0 | 0 | 112.2 | L161 N191 F193 G194 | L161-D172 HydrophobicContact CD2-CB 4.17Å; D172-N191 PolarHBondContact OD2-ND2 3.17Å; D172-F193 HydrophobicContact CB-CD2 3.85Å; D172-F193 HydrophobicContact CB-CE2 4.03Å; D172-F193 WeakPolarHBondContact OD1-CA 3.31Å; D172-G194 PolarHBondContact OD1-N 2.79Å |
| 173 | I | 91.1 | Very high | 85.9 | Confident | 40 Ų | 40 | 78.9 Ų | 78.9 | 21% | 0.205 | 42% | 0.418 | C | S | . | . | trans | -90.6 | 108.6 | 169 | -56.7 | 171.4 | 0 | 0 | 0 | 105.9 | G160 Q162 E175 | G160-I173 VanDerWaalsContact O-CB 3.3Å; G160-I173 WeakPolarHBondContact O-CB 3.21Å; G160-I173 PolarHBondContact O-N 3.2Å; Q162-I173 HydrophobicContact CB-CD1 3.98Å; Q162-I173 HydrophobicContact CB-CG1 3.97Å; Q162-I173 HydrophobicContact CG-CD1 4.36Å; Q162-I173 HydrophobicContact CG-CG1 3.81Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.47Å; I173-E175 VanDerWaalsContact O-OE2 3.05Å | ||
| 174 | D | 90.5 | Very high | 85.4 | Confident | 54 Ų | 54 | 78.9 Ų | 78.9 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | trans | -71.6 | 95 | 172.6 | -174.4 | -33.2 | 0 | 0 | 0 | 109.2 | C176 T177 T178 | D174-C176 PolarHBondContact O-N 3.5Å; D174-C176 WeakPolarHBondContact OD1-CA 3.49Å; D174-C176 WeakPolarHBondContact OD1-CB 3.45Å; D174-C176 PolarHBondContact OD1-N 3.26Å; D174-T177 HydrophobicContact CB-CG2 4.39Å; D174-T177 WeakPolarHBondContact CB-OG1 3.2Å; D174-T177 PolarHBondContact O-N 2.9Å; D174-T177 PolarHBondContact O-OG1 2.84Å; D174-T177 PolarHBondContact OD1-N 3.37Å; D174-T177 PolarHBondContact OD1-OG1 3.13Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.49Å; D174-T178 WeakPolarHBondContact O-CB 3.36Å; D174-T178 PolarHBondContact O-N 2.91Å; D174-T178 PolarHBondContact O-OG1 3.33Å | ||
| 175 | E | 89.2 | Confident | 85 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.6 | -30.7 | -177.8 | -53.1 | 96 | 151.3 | 0 | 0 | 110.6 | G160 I173 T177 T178 G179 L182 N191 S195 Y196 | G160-E175 WeakPolarHBondContact CA-OE1 3.47Å; I173-E175 VanDerWaalsContact C-N 3.35Å; I173-E175 HydrophobicContact CG2-CG 4.39Å; I173-E175 PolarHBondContact O-N 3.47Å; I173-E175 VanDerWaalsContact O-OE2 3.05Å; E175-T177 PolarHBondContact O-N 2.82Å; E175-T178 PolarHBondContact O-N 3.29Å; E175-G179 PolarHBondContact O-N 2.88Å; E175-L182 HydrophobicContact CB-CD1 3.6Å; E175-L182 WeakPolarHBondContact O-CD1 3.08Å; E175-N191 PolarHBondContact OE2-OD1 3.17Å; E175-N191 VanDerWaalsContact OE2-OD1 3.13Å; E175-S195 WeakPolarHBondContact OE1-CA 3.4Å; E175-Y196 HydrophobicContact CB-CD1 3.69Å; E175-Y196 HydrophobicContact CB-CE1 4.24Å; E175-Y196 HydrophobicContact CB-CG 4.17Å; E175-Y196 HydrophobicContact CG-CD1 3.78Å; E175-Y196 HydrophobicContact CG-CE1 4.33Å |
| 176 | C | 89.5 | Confident | 84.7 | Confident | 41 Ų | 41 | 79 Ų | 79 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -27.5 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | D174 C189 V190 N191 | D174-C176 PolarHBondContact O-N 3.5Å; D174-C176 WeakPolarHBondContact OD1-CA 3.49Å; D174-C176 WeakPolarHBondContact OD1-CB 3.45Å; D174-C176 PolarHBondContact OD1-N 3.26Å; C176-C189 WeakPolarHBondContact CA-SG 3.49Å; C176-C189 HydrophobicContact CB-CB 3.75Å; C176-C189 WeakPolarHBondContact CB-SG 3.43Å; C176-C189 WeakPolarHBondContact SG-CB 3.19Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.83Å; C176-V190 PolarHBondContact SG-N 3.28Å; C176-N191 HydrophobicContact CB-CB 4.5Å; C176-N191 PolarHBondContact SG-N 2.92Å |
| 177 | T | 89.8 | Confident | 84.7 | Confident | 107 Ų | 107 | 77.4 Ų | 77.4 | 66% | 0.656 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -90.7 | -32.2 | 173.3 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | D174 E175 | D174-T177 HydrophobicContact CB-CG2 4.39Å; D174-T177 WeakPolarHBondContact CB-OG1 3.2Å; D174-T177 PolarHBondContact O-N 2.9Å; D174-T177 PolarHBondContact O-OG1 2.84Å; D174-T177 PolarHBondContact OD1-N 3.37Å; D174-T177 PolarHBondContact OD1-OG1 3.13Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.49Å; E175-T177 PolarHBondContact O-N 2.82Å |
| 178 | T | 83.4 | Confident | 84.7 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 66% | 0.663 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -84.1 | -32.5 | -173 | -52.9 | 0 | 0 | 0 | 0 | 112.7 | D174 E175 | D174-T178 WeakPolarHBondContact O-CB 3.36Å; D174-T178 PolarHBondContact O-N 2.91Å; D174-T178 PolarHBondContact O-OG1 3.33Å; E175-T178 PolarHBondContact O-N 3.29Å |
| 179 | G | 74.5 | Confident | 84.7 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | trans | -106.6 | 125.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E175 | E175-G179 PolarHBondContact O-N 2.88Š| ||
| 180 | K | 57.3 | Low | 84.6 | Confident | 202 Ų | 202 | 69.7 Ų | 69.7 | 88% | 0.878 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 125.1 | 162.8 | -72.9 | -178.3 | 179.8 | 177.5 | 0 | 109.3 | ||
| 181 | N | 65.4 | Low | 84.5 | Confident | 158 Ų | 158 | 71.5 Ų | 71.5 | 85% | 0.845 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 33.9 | 176.4 | -47.3 | -40.9 | 0 | 0 | 0 | 117.5 | ||
| 182 | L | 81.5 | Confident | 84 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -67.5 | -39.9 | 173.3 | -68 | 167.2 | 0 | 0 | 0 | 112.9 | E175 Y196 | E175-L182 HydrophobicContact CB-CD1 3.6Å; E175-L182 WeakPolarHBondContact O-CD1 3.08Å; L182-Y196 HydrophobicContact CB-CD2 4.44Å; L182-Y196 HydrophobicContact CB-CE2 3.75Å; L182-Y196 HydrophobicContact CD1-CE2 4.39Å; L182-Y196 HydrophobicContact CD2-CE1 4.21Å; L182-Y196 HydrophobicContact CD2-CE2 4.43Å; L182-Y196 HydrophobicContact CG-CE2 4.42Å | ||
| 183 | C | 84.1 | Confident | 83.5 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 17% | 0.169 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -98.4 | 142.1 | -177.8 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | R187 C189 C198 | C183-R187 HydrophobicContact CB-CB 3.97Å; C183-C189 VanDerWaalsContact SG-CA 3.55Å; C183-C198 WeakPolarHBondContact CA-SG 3.27Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 3.45Å; C183-C198 WeakPolarHBondContact SG-CB 3.12Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.87Å |
| 184 | P | 83 | Confident | 83.1 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 44% | 0.442 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 167.7 | 169.1 | -22.1 | 30 | 0 | 0 | 0 | 113.2 | R187 | P184-R187 WeakPolarHBondContact O-CB 3.32Å; P184-R187 PolarHBondContact O-N 3.44Å |
| 185 | H | 82.2 | Confident | 82.8 | Confident | 171 Ų | 171 | 71.5 Ų | 71.5 | 79% | 0.792 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 149.8 | 176.2 | -76.1 | -78.3 | 0 | 0 | 0 | 112.9 | R187 | H185-R187 PolarHBondContact O-N 3.24Š|
| 186 | N | 86.1 | Confident | 82.6 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 21.9 | -178.2 | -52.4 | -22.2 | 0 | 0 | 0 | 114.9 | Q201 Y204 C215 | N186-Q201 PolarHBondContact O-N 3.13Å; N186-Y204 HydrophobicContact CB-CD1 3.82Å; N186-Y204 HydrophobicContact CB-CD2 4.36Å; N186-Y204 HydrophobicContact CB-CE1 3.86Å; N186-Y204 HydrophobicContact CB-CE2 4.36Å; N186-Y204 HydrophobicContact CB-CG 4.11Å; N186-Y204 VanDerWaalsContact ND2-CE1 3.33Å; N186-Y204 WeakPolarHBondContact ND2-CE1 3.44Å; N186-C215 HydrophobicContact CB-CB 4.04Å |
| 187 | R | 89.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 78 Ų | 78 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 152 | 174.8 | -66.1 | 168.8 | -172.3 | -94.1 | -4.5 | 111.6 | C183 P184 H185 C198 K199 Q201 L206 Y213 D214 C215 | C183-R187 HydrophobicContact CB-CB 3.97Å; P184-R187 WeakPolarHBondContact O-CB 3.32Å; P184-R187 PolarHBondContact O-N 3.44Å; H185-R187 PolarHBondContact O-N 3.24Å; R187-C198 HydrophobicContact CB-CB 4.17Å; R187-K199 CarbonylContact C-O 3.47Å; R187-K199 WeakPolarHBondContact CA-O 3.01Å; R187-K199 VanDerWaalsContact CB-O 3.3Å; R187-K199 WeakPolarHBondContact CB-O 3.07Å; R187-Q201 PolarHBondContact O-NE2 3.48Å; R187-L206 VanDerWaalsContact NH2-CD1 3.27Å; R187-Y213 PolarHBondContact NH2-O 3.29Å; R187-D214 IonicContact NH2-OD1 3.81Å; R187-C215 HydrophobicContact CG-CB 4.43Å; R187-C215 WeakPolarHBondContact CG-SG 3.4Å; R187-C215 VanDerWaalsContact CZ-SG 3.51Å |
| 188 | Q | 89.1 | Confident | 81.9 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.2 | 173.8 | -173.4 | -180 | 16 | 0 | 0 | 108.7 | C198 K199 Q201 | Q188-C198 WeakPolarHBondContact O-CA 3.23Å; Q188-K199 HydrophobicContact CB-CG 4.24Å; Q188-K199 PolarHBondContact N-O 3.18Å; Q188-K199 PolarHBondContact O-N 3.26Å; Q188-Q201 HydrophobicContact CB-CG 4.16Å |
| 189 | C | 89.9 | Confident | 81.9 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.4 | 172.1 | -170.8 | 0 | 0 | 0 | 0 | 110 | C176 C183 | C176-C189 WeakPolarHBondContact CA-SG 3.49Å; C176-C189 HydrophobicContact CB-CB 3.75Å; C176-C189 WeakPolarHBondContact CB-SG 3.43Å; C176-C189 WeakPolarHBondContact SG-CB 3.19Å; C176-C189 CovalentContact SG-SG 2.04Å; C176-C189 PolarHBondContact SG-SG 2.83Å; C183-C189 VanDerWaalsContact SG-CA 3.55Å |
| 190 | V | 87.3 | Confident | 82.5 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.9 | 171.4 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | C176 Y196 Y197 K199 | C176-V190 PolarHBondContact SG-N 3.28Å; V190-Y196 WeakPolarHBondContact O-CA 3.04Å; V190-Y197 HydrophobicContact CB-CD1 4.22Å; V190-Y197 HydrophobicContact CB-CE1 3.8Å; V190-Y197 HydrophobicContact CB-CE2 4.14Å; V190-Y197 HydrophobicContact CG1-CD1 4.44Å; V190-Y197 HydrophobicContact CG1-CE1 3.64Å; V190-Y197 HydrophobicContact CG2-CE2 4.26Å; V190-Y197 PolarHBondContact N-O 2.83Å; V190-Y197 PolarHBondContact O-N 3.24Å; V190-K199 HydrophobicContact CG2-CD 3.66Å; V190-K199 HydrophobicContact CG2-CG 3.77Å |
| 191 | N | 87.6 | Confident | 84.2 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 142.3 | 177.4 | -173.1 | 35.2 | 0 | 0 | 0 | 109.7 | D172 E175 C176 S195 | D172-N191 PolarHBondContact OD2-ND2 3.17Å; E175-N191 PolarHBondContact OE2-OD1 3.17Å; E175-N191 VanDerWaalsContact OE2-OD1 3.13Å; C176-N191 HydrophobicContact CB-CB 4.5Å; C176-N191 PolarHBondContact SG-N 2.92Å; N191-S195 PolarHBondContact OD1-O 3.49Å |
| 192 | T | 82 | Confident | 85.3 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 157.1 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | G194 S195 Y197 | T192-G194 PolarHBondContact O-N 2.79Å; T192-S195 CarbonylContact C-O 3.56Å; T192-S195 VanDerWaalsContact C-O 3.26Å; T192-S195 WeakPolarHBondContact CA-O 3.42Å; T192-S195 WeakPolarHBondContact CB-O 3.49Å; T192-S195 PolarHBondContact N-O 3.48Å; T192-S195 CarbonylContact O-C 3.59Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 VanDerWaalsContact O-N 3.13Å; T192-S195 PolarHBondContact OG1-O 3.39Å; T192-Y197 HydrophobicContact CG2-CD1 3.63Å; T192-Y197 HydrophobicContact CG2-CE1 3.56Å |
| 193 | F | 82.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 64.7 Ų | 64.7 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 115 | -179.1 | -171.1 | -96.9 | 0 | 0 | 0 | 111 | L161 D172 | L161-F193 HydrophobicContact CD1-CE1 3.86Å; L161-F193 HydrophobicContact CD1-CZ 4.26Å; L161-F193 HydrophobicContact CD2-CD1 4.16Å; L161-F193 HydrophobicContact CD2-CD2 4.26Å; L161-F193 HydrophobicContact CD2-CE1 3.8Å; L161-F193 HydrophobicContact CD2-CE2 3.91Å; L161-F193 HydrophobicContact CD2-CG 4.39Å; L161-F193 HydrophobicContact CD2-CZ 3.66Å; L161-F193 HydrophobicContact CG-CE1 4.49Å; D172-F193 HydrophobicContact CB-CD2 3.85Å; D172-F193 HydrophobicContact CB-CE2 4.03Å; D172-F193 WeakPolarHBondContact OD1-CA 3.31Å |
| 194 | G | 81.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | 76.1 | 12.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S158 L161 D172 T192 | S158-G194 WeakPolarHBondContact CB-O 3.06Å; S158-G194 VanDerWaalsContact OG-C 3.31Å; S158-G194 WeakPolarHBondContact OG-CA 3.26Å; S158-G194 PolarHBondContact OG-O 2.69Å; L161-G194 VanDerWaalsContact CD2-CA 3.47Å; D172-G194 PolarHBondContact OD1-N 2.79Å; T192-G194 PolarHBondContact O-N 2.79Å |
| 195 | S | 84.3 | Confident | 85.9 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 43% | 0.427 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -179.1 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | E175 N191 T192 | E175-S195 WeakPolarHBondContact OE1-CA 3.4Å; N191-S195 PolarHBondContact OD1-O 3.49Å; T192-S195 CarbonylContact C-O 3.56Å; T192-S195 VanDerWaalsContact C-O 3.26Å; T192-S195 WeakPolarHBondContact CA-O 3.42Å; T192-S195 WeakPolarHBondContact CB-O 3.49Å; T192-S195 PolarHBondContact N-O 3.48Å; T192-S195 CarbonylContact O-C 3.59Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 VanDerWaalsContact O-N 3.13Å; T192-S195 PolarHBondContact OG1-O 3.39Å |
| 196 | Y | 85.3 | Confident | 85.9 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 165.9 | 165 | 67.2 | -77.6 | 0 | 0 | 0 | 110.6 | E175 L182 V190 | E175-Y196 HydrophobicContact CB-CD1 3.69Å; E175-Y196 HydrophobicContact CB-CE1 4.24Å; E175-Y196 HydrophobicContact CB-CG 4.17Å; E175-Y196 HydrophobicContact CG-CD1 3.78Å; E175-Y196 HydrophobicContact CG-CE1 4.33Å; L182-Y196 HydrophobicContact CB-CD2 4.44Å; L182-Y196 HydrophobicContact CB-CE2 3.75Å; L182-Y196 HydrophobicContact CD1-CE2 4.39Å; L182-Y196 HydrophobicContact CD2-CE1 4.21Å; L182-Y196 HydrophobicContact CD2-CE2 4.43Å; L182-Y196 HydrophobicContact CG-CE2 4.42Å; V190-Y196 WeakPolarHBondContact O-CA 3.04Å |
| 197 | Y | 80.3 | Confident | 85.6 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 48% | 0.482 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 160 | 166.4 | 71.7 | -85.2 | 0 | 0 | 0 | 111.8 | V190 T192 K199 | V190-Y197 HydrophobicContact CB-CD1 4.22Å; V190-Y197 HydrophobicContact CB-CE1 3.8Å; V190-Y197 HydrophobicContact CB-CE2 4.14Å; V190-Y197 HydrophobicContact CG1-CD1 4.44Å; V190-Y197 HydrophobicContact CG1-CE1 3.64Å; V190-Y197 HydrophobicContact CG2-CE2 4.26Å; V190-Y197 PolarHBondContact N-O 2.83Å; V190-Y197 PolarHBondContact O-N 3.24Å; T192-Y197 HydrophobicContact CG2-CD1 3.63Å; T192-Y197 HydrophobicContact CG2-CE1 3.56Å; Y197-K199 HydrophobicContact CE2-CB 4.22Å |
| 198 | C | 84.9 | Confident | 85 | Confident | 32 Ų | 32 | 64 Ų | 64 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.8 | -176.5 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | C183 R187 Q188 | C183-C198 WeakPolarHBondContact CA-SG 3.27Å; C183-C198 HydrophobicContact CB-CB 3.74Å; C183-C198 WeakPolarHBondContact CB-SG 3.45Å; C183-C198 WeakPolarHBondContact SG-CB 3.12Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.87Å; R187-C198 HydrophobicContact CB-CB 4.17Å; Q188-C198 WeakPolarHBondContact O-CA 3.23Å |
| 199 | K | 82.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 39% | 0.391 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 158.7 | 171.7 | 67.8 | 177.1 | 179.5 | 179.2 | 0 | 111.3 | R187 Q188 V190 Y197 | R187-K199 CarbonylContact C-O 3.47Å; R187-K199 WeakPolarHBondContact CA-O 3.01Å; R187-K199 VanDerWaalsContact CB-O 3.3Å; R187-K199 WeakPolarHBondContact CB-O 3.07Å; Q188-K199 HydrophobicContact CB-CG 4.24Å; Q188-K199 PolarHBondContact N-O 3.18Å; Q188-K199 PolarHBondContact O-N 3.26Å; V190-K199 HydrophobicContact CG2-CD 3.66Å; V190-K199 HydrophobicContact CG2-CG 3.77Å; Y197-K199 HydrophobicContact CE2-CB 4.22Å |
| 200 | C | 87.6 | Confident | 83.9 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 145.1 | 170.7 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | C215 | C200-C215 WeakPolarHBondContact CA-SG 3.02Å; C200-C215 HydrophobicContact CB-CB 3.81Å; C200-C215 WeakPolarHBondContact CB-SG 3.17Å; C200-C215 WeakPolarHBondContact SG-CB 3.46Å; C200-C215 CovalentContact SG-SG 2.04Å; C200-C215 PolarHBondContact SG-SG 3.36Å |
| 201 | Q | 91.2 | Very high | 83 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 158.6 | 171.3 | -71.2 | 177.4 | 7.2 | 0 | 0 | 110.2 | N186 R187 Q188 G203 Y204 | N186-Q201 PolarHBondContact O-N 3.13Å; R187-Q201 PolarHBondContact O-NE2 3.48Å; Q188-Q201 HydrophobicContact CB-CG 4.16Å; Q201-G203 PolarHBondContact O-N 2.86Å; Q201-Y204 HydrophobicContact CB-CD2 4.01Å; Q201-Y204 WeakPolarHBondContact O-CB 3.11Å; Q201-Y204 PolarHBondContact O-N 3.33Å |
| 202 | N | 89.1 | Confident | 82.4 | Confident | 140 Ų | 140 | 73.8 Ų | 73.8 | 75% | 0.749 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 138.8 | 173.9 | -64.1 | -16.4 | 0 | 0 | 0 | 110.1 | Y204 | N202-Y204 VanDerWaalsContact C-N 3.29Š|
| 203 | G | 89.1 | Confident | 82.2 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q201 L218 | Q201-G203 PolarHBondContact O-N 2.86Å; G203-L218 WeakPolarHBondContact O-CB 3.45Å; G203-L218 PolarHBondContact O-N 2.87Å |
| 204 | Y | 89.7 | Confident | 82.3 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145 | 171.5 | -65.2 | -96.2 | 0 | 0 | 0 | 110.8 | N186 Q201 N202 V216 D217 G239 | N186-Y204 HydrophobicContact CB-CD1 3.82Å; N186-Y204 HydrophobicContact CB-CD2 4.36Å; N186-Y204 HydrophobicContact CB-CE1 3.86Å; N186-Y204 HydrophobicContact CB-CE2 4.36Å; N186-Y204 HydrophobicContact CB-CG 4.11Å; N186-Y204 VanDerWaalsContact ND2-CE1 3.33Å; N186-Y204 WeakPolarHBondContact ND2-CE1 3.44Å; Q201-Y204 HydrophobicContact CB-CD2 4.01Å; Q201-Y204 WeakPolarHBondContact O-CB 3.11Å; Q201-Y204 PolarHBondContact O-N 3.33Å; N202-Y204 VanDerWaalsContact C-N 3.29Å; Y204-V216 CarbonylContact C-O 3.59Å; Y204-V216 VanDerWaalsContact CA-O 3.3Å; Y204-V216 WeakPolarHBondContact CA-O 3.01Å; Y204-D217 HydrophobicContact CD1-CB 4.45Å; Y204-D217 HydrophobicContact CE1-CB 4.21Å; Y204-G239 PolarHBondContact OH-N 2.97Å |
| 205 | D | 83.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.1 | 175.8 | -173.7 | 30.1 | 0 | 0 | 0 | 111.4 | K207 C215 V216 L218 | D205-K207 PolarHBondContact O-N 2.78Å; D205-K207 VanDerWaalsContact O-N 3.13Å; D205-C215 WeakPolarHBondContact O-CA 3.3Å; D205-V216 PolarHBondContact N-O 2.76Å; D205-V216 PolarHBondContact O-N 3.42Å; D205-L218 HydrophobicContact CB-CD1 3.94Å; D205-L218 HydrophobicContact CB-CD2 3.7Å; D205-L218 HydrophobicContact CB-CG 3.64Å |
| 206 | L | 81.4 | Confident | 82.9 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 95.1 | -176 | -170.2 | 76.2 | 0 | 0 | 0 | 109.8 | R187 Y213 D214 | R187-L206 VanDerWaalsContact NH2-CD1 3.27Å; L206-Y213 HydrophobicContact CD2-CD1 3.88Å; L206-Y213 HydrophobicContact CG-CD1 3.95Å; L206-D214 CarbonylContact C-O 3.26Å; L206-D214 WeakPolarHBondContact CA-O 3.43Å |
| 207 | K | 79.7 | Confident | 83.3 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 150.4 | -178.4 | -62.5 | -173.8 | 179.8 | 175.8 | 0 | 111.8 | D205 V209 Y213 D214 V216 | D205-K207 PolarHBondContact O-N 2.78Å; D205-K207 VanDerWaalsContact O-N 3.13Å; K207-V209 HydrophobicContact CB-CG2 4.13Å; K207-V209 PolarHBondContact O-N 3.2Å; K207-Y213 WeakPolarHBondContact O-CA 3.44Å; K207-D214 PolarHBondContact N-O 3Å; K207-D214 PolarHBondContact O-N 3.43Å; K207-V216 HydrophobicContact CB-CB 4.26Å; K207-V216 HydrophobicContact CB-CG2 3.93Å; K207-V216 HydrophobicContact CD-CB 4.25Å; K207-V216 HydrophobicContact CG-CB 4.42Å |
| 208 | Y | 75.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 65 Ų | 65 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 106.6 | 173.8 | -170.1 | -118.4 | 0 | 0 | 0 | 110.1 | G211 K212 Y213 | Y208-G211 WeakPolarHBondContact OH-CA 3.32Å; Y208-G211 PolarHBondContact OH-O 3.07Å; Y208-K212 WeakPolarHBondContact CD2-O 3.45Å; Y208-Y213 AromaticContact CD2-CD2 3.21Å; Y208-Y213 HydrophobicContact CD2-CD2 3.21Å; Y208-Y213 AromaticContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CG 4.13Å; Y208-Y213 AromaticContact CE2-CD2 3.83Å; Y208-Y213 HydrophobicContact CE2-CD2 3.83Å; Y208-Y213 AromaticContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CG-CD2 4.13Å; Y208-Y213 AromaticContact CG-CE2 3.98Å; Y208-Y213 HydrophobicContact CG-CE2 3.98Å |
| 209 | V | 79.3 | Confident | 84.2 | Confident | 62 Ų | 62 | 66.1 Ų | 66.1 | 38% | 0.376 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.7 | -177 | -169.8 | 0 | 0 | 0 | 0 | 109.2 | K207 G211 K212 V216 | K207-V209 HydrophobicContact CB-CG2 4.13Å; K207-V209 PolarHBondContact O-N 3.2Å; V209-G211 PolarHBondContact O-N 2.78Å; V209-K212 PolarHBondContact N-O 3.03Å; V209-K212 PolarHBondContact O-N 2.88Å; V209-V216 HydrophobicContact CG2-CG2 3.72Å |
| 210 | N | 77.9 | Confident | 84.8 | Confident | 165 Ų | 165 | 62.9 Ų | 62.9 | 88% | 0.882 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 34.4 | 178.8 | -57.2 | -30.2 | 0 | 0 | 0 | 114.5 | K212 | N210-K212 VanDerWaalsContact C-N 3.34Å; N210-K212 PolarHBondContact O-N 3.36Å |
| 211 | G | 68.1 | Low | 85.2 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 54% | 0.536 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y208 V209 | Y208-G211 WeakPolarHBondContact OH-CA 3.32Å; Y208-G211 PolarHBondContact OH-O 3.07Å; V209-G211 PolarHBondContact O-N 2.78Å |
| 212 | K | 74.9 | Confident | 85.3 | Confident | 133 Ų | 133 | 62.6 Ų | 62.6 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.7 | 176.2 | -173.8 | -179.4 | 174.2 | -174.3 | 0 | 109.8 | Y208 V209 N210 | Y208-K212 WeakPolarHBondContact CD2-O 3.45Å; V209-K212 PolarHBondContact N-O 3.03Å; V209-K212 PolarHBondContact O-N 2.88Å; N210-K212 VanDerWaalsContact C-N 3.34Å; N210-K212 PolarHBondContact O-N 3.36Å |
| 213 | Y | 76.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 7% | 0.071 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.6 | 169.2 | -71.3 | -125.8 | 0 | 0 | 0 | 108.8 | K68 T88 R187 L206 K207 Y208 | K68-Y213 HydrophobicContact CB-CE2 4.23Å; K68-Y213 HydrophobicContact CD-CD2 3.68Å; K68-Y213 HydrophobicContact CD-CE2 3.94Å; K68-Y213 HydrophobicContact CD-CG 4.25Å; K68-Y213 HydrophobicContact CG-CD2 3.34Å; K68-Y213 HydrophobicContact CG-CE1 4.45Å; K68-Y213 HydrophobicContact CG-CE2 3.04Å; K68-Y213 HydrophobicContact CG-CG 4.19Å; T88-Y213 PolarHBondContact OG1-OH 2.05Å; R187-Y213 PolarHBondContact NH2-O 3.29Å; L206-Y213 HydrophobicContact CD2-CD1 3.88Å; L206-Y213 HydrophobicContact CG-CD1 3.95Å; K207-Y213 WeakPolarHBondContact O-CA 3.44Å; Y208-Y213 AromaticContact CD2-CD2 3.21Å; Y208-Y213 HydrophobicContact CD2-CD2 3.21Å; Y208-Y213 AromaticContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CE2 3.32Å; Y208-Y213 HydrophobicContact CD2-CG 4.13Å; Y208-Y213 AromaticContact CE2-CD2 3.83Å; Y208-Y213 HydrophobicContact CE2-CD2 3.83Å; Y208-Y213 AromaticContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CE2-CE2 3.86Å; Y208-Y213 HydrophobicContact CG-CD2 4.13Å; Y208-Y213 AromaticContact CG-CE2 3.98Å; Y208-Y213 HydrophobicContact CG-CE2 3.98Å |
| 214 | D | 84.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 67 Ų | 67 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.2 | 178.4 | -148.8 | -1.4 | 0 | 0 | 0 | 111.3 | R187 L206 K207 V216 | R187-D214 IonicContact NH2-OD1 3.81Å; L206-D214 CarbonylContact C-O 3.26Å; L206-D214 WeakPolarHBondContact CA-O 3.43Å; K207-D214 PolarHBondContact N-O 3Å; K207-D214 PolarHBondContact O-N 3.43Å; D214-V216 PolarHBondContact O-N 3.42Å |
| 215 | C | 89 | Confident | 85.6 | Confident | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.027 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 103.9 | 175 | -65.2 | 0 | 0 | 0 | 0 | 108 | N186 R187 C200 D205 | N186-C215 HydrophobicContact CB-CB 4.04Å; R187-C215 HydrophobicContact CG-CB 4.43Å; R187-C215 WeakPolarHBondContact CG-SG 3.4Å; R187-C215 VanDerWaalsContact CZ-SG 3.51Å; C200-C215 WeakPolarHBondContact CA-SG 3.02Å; C200-C215 HydrophobicContact CB-CB 3.81Å; C200-C215 WeakPolarHBondContact CB-SG 3.17Å; C200-C215 WeakPolarHBondContact SG-CB 3.46Å; C200-C215 CovalentContact SG-SG 2.04Å; C200-C215 PolarHBondContact SG-SG 3.36Å; D205-C215 WeakPolarHBondContact O-CA 3.3Å |
| 216 | V | 89.9 | Confident | 86.1 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 30% | 0.303 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.5 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Y204 D205 K207 V209 D214 L218 | Y204-V216 CarbonylContact C-O 3.59Å; Y204-V216 VanDerWaalsContact CA-O 3.3Å; Y204-V216 WeakPolarHBondContact CA-O 3.01Å; D205-V216 PolarHBondContact N-O 2.76Å; D205-V216 PolarHBondContact O-N 3.42Å; K207-V216 HydrophobicContact CB-CB 4.26Å; K207-V216 HydrophobicContact CB-CG2 3.93Å; K207-V216 HydrophobicContact CD-CB 4.25Å; K207-V216 HydrophobicContact CG-CB 4.42Å; V209-V216 HydrophobicContact CG2-CG2 3.72Å; D214-V216 PolarHBondContact O-N 3.42Å; V216-L218 PolarHBondContact O-N 2.02Å |
| 217 | D | 93.6 | Very high | 86.7 | Confident | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.5 | 130.7 | 174.7 | -170.2 | 59.7 | 0 | 0 | 0 | 111.2 | Y204 N236 H238 G239 | Y204-D217 HydrophobicContact CD1-CB 4.45Å; Y204-D217 HydrophobicContact CE1-CB 4.21Å; D217-N236 PolarHBondContact OD2-ND2 3.12Å; D217-N236 PolarHBondContact OD2-OD1 3.17Å; D217-H238 WeakPolarHBondContact OD1-CA 3.46Å; D217-G239 PolarHBondContact OD1-N 2.91Å |
| 218 | L | 91.9 | Very high | 87.5 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 120 | 169.6 | -84.8 | 157.6 | 0 | 0 | 0 | 107.7 | G203 D205 V216 E220 | G203-L218 WeakPolarHBondContact O-CB 3.45Å; G203-L218 PolarHBondContact O-N 2.87Å; D205-L218 HydrophobicContact CB-CD1 3.94Å; D205-L218 HydrophobicContact CB-CD2 3.7Å; D205-L218 HydrophobicContact CB-CG 3.64Å; V216-L218 PolarHBondContact O-N 2.02Å; L218-E220 VanDerWaalsContact O-CD 3.29Å; L218-E220 PolarHBondContact O-N 2.04Å; L218-E220 VanDerWaalsContact O-OE2 3.05Å |
| 219 | D | 93.9 | Very high | 88.5 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | trans | -88 | 86.7 | 175 | -166.7 | -33.3 | 0 | 0 | 0 | 109 | C221 A222 D223 N236 | D219-C221 PolarHBondContact O-N 3.4Å; D219-C221 VanDerWaalsContact O-N 3.1Å; D219-C221 WeakPolarHBondContact OD1-CA 2.87Å; D219-C221 VanDerWaalsContact OD1-CB 3.3Å; D219-C221 WeakPolarHBondContact OD1-CB 3.46Å; D219-C221 PolarHBondContact OD1-N 3.19Å; D219-C221 VanDerWaalsContact OD1-N 3.09Å; D219-A222 HydrophobicContact CB-CB 3.9Å; D219-A222 PolarHBondContact O-N 3.22Å; D219-A222 VanDerWaalsContact O-N 3.12Å; D219-A222 PolarHBondContact OD1-N 3.3Å; D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3Å; D219-N236 VanDerWaalsContact CG-ND2 3.26Å; D219-N236 WeakPolarHBondContact OD1-CB 2.99Å; D219-N236 PolarHBondContact OD2-ND2 3.46Å | ||
| 220 | E | 95 | Very high | 89.2 | Confident | 23 Ų | 23 | 72 Ų | 72 | 11% | 0.107 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.5 | -178.7 | -51.6 | 96.3 | 149.9 | 0 | 0 | 112.4 | L218 E224 T225 H226 N236 Y241 | L218-E220 VanDerWaalsContact O-CD 3.29Å; L218-E220 PolarHBondContact O-N 2.04Å; L218-E220 VanDerWaalsContact O-OE2 3.05Å; E220-E224 PolarHBondContact O-N 3.09Å; E220-T225 PolarHBondContact O-N 3.12Å; E220-H226 HydrophobicContact CB-CB 4.47Å; E220-H226 PolarHBondContact O-N 3.36Å; E220-N236 PolarHBondContact OE2-OD1 3.1Å; E220-Y241 HydrophobicContact CB-CD1 3.6Å; E220-Y241 HydrophobicContact CB-CE1 4.05Å; E220-Y241 HydrophobicContact CB-CG 4.13Å; E220-Y241 VanDerWaalsContact CD-CD1 3.46Å; E220-Y241 HydrophobicContact CG-CD1 3.73Å; E220-Y241 HydrophobicContact CG-CE1 4.12Å; E220-Y241 WeakPolarHBondContact OE2-CD1 3.08Å |
| 221 | C | 94.8 | Very high | 90 | Very high | 30 Ų | 30 | 67 Ų | 67 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -41.5 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | D219 C234 L235 N236 | D219-C221 PolarHBondContact O-N 3.4Å; D219-C221 VanDerWaalsContact O-N 3.1Å; D219-C221 WeakPolarHBondContact OD1-CA 2.87Å; D219-C221 VanDerWaalsContact OD1-CB 3.3Å; D219-C221 WeakPolarHBondContact OD1-CB 3.46Å; D219-C221 PolarHBondContact OD1-N 3.19Å; D219-C221 VanDerWaalsContact OD1-N 3.09Å; C221-C234 WeakPolarHBondContact CA-SG 3.36Å; C221-C234 HydrophobicContact CB-CB 3.75Å; C221-C234 WeakPolarHBondContact CB-SG 3.47Å; C221-C234 WeakPolarHBondContact SG-CB 3.41Å; C221-C234 CovalentContact SG-SG 2.04Å; C221-C234 PolarHBondContact SG-SG 3.21Å; C221-L235 PolarHBondContact SG-N 3.43Å; C221-N236 HydrophobicContact CB-CB 4.41Å; C221-N236 PolarHBondContact SG-N 3.18Å |
| 222 | A | 93.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -35.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D219 E224 | D219-A222 HydrophobicContact CB-CB 3.9Å; D219-A222 PolarHBondContact O-N 3.22Å; D219-A222 VanDerWaalsContact O-N 3.12Å; D219-A222 PolarHBondContact OD1-N 3.3Å; A222-E224 PolarHBondContact O-N 2.92Å |
| 223 | D | 90.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | 179.8 | -67 | -18.9 | 0 | 0 | 0 | 112.7 | D219 T225 | D219-D223 WeakPolarHBondContact O-CB 3.11Å; D219-D223 PolarHBondContact O-N 3Å; D223-T225 HydrophobicContact CB-CG2 4.16Å; D223-T225 PolarHBondContact O-N 2.86Å |
| 224 | E | 90.8 | Very high | 93.3 | Very high | 165 Ų | 165 | 61.9 Ų | 61.9 | 77% | 0.771 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 22 | -177.3 | -58.6 | -171.9 | 166.7 | 0 | 0 | 114.4 | E220 A222 H226 | E220-E224 PolarHBondContact O-N 3.09Å; A222-E224 PolarHBondContact O-N 2.92Å; E224-H226 VanDerWaalsContact C-N 3.32Å |
| 225 | T | 92.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 60.7 Ų | 60.7 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | trans | -88.2 | -1.5 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | E220 D223 | E220-T225 PolarHBondContact O-N 3.12Å; D223-T225 HydrophobicContact CB-CG2 4.16Å; D223-T225 PolarHBondContact O-N 2.86Å | ||
| 226 | H | 93.3 | Very high | 94.2 | Very high | 63 Ų | 63 | 63 Ų | 63 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | trans | -64.8 | 150.7 | 179.8 | 69.6 | 60.9 | 0 | 0 | 0 | 113.4 | E220 E224 C228 C234 Y241 | E220-H226 HydrophobicContact CB-CB 4.47Å; E220-H226 PolarHBondContact O-N 3.36Å; E224-H226 VanDerWaalsContact C-N 3.32Å; H226-C228 PolarHBondContact ND1-N 3.2Å; H226-C234 VanDerWaalsContact CB-SG 3.58Å; H226-C234 PolarHBondContact CD2-SG 3.24Å; H226-Y241 HydrophobicContact CB-CD2 3.77Å; H226-Y241 HydrophobicContact CB-CE2 3.56Å; H226-Y241 HydrophobicContact CB-CG 4.35Å | ||
| 227 | K | 95.5 | Very high | 94.4 | Very high | 166 Ų | 166 | 62.9 Ų | 62.9 | 72% | 0.722 | 34% | 0.338 | S | S | * | . | trans | -99 | 20.2 | 175.6 | -60.6 | 179.4 | -179.4 | 177.1 | 0 | 113.3 | Y241 F254 | K227-Y241 WeakPolarHBondContact CB-OH 3.49Å; K227-Y241 PolarHBondContact N-OH 2.86Å; K227-F254 HydrophobicContact CB-CD1 4.23Å; K227-F254 HydrophobicContact CB-CE1 4.34Å; K227-F254 WeakPolarHBondContact O-CD1 3.15Å | ||
| 228 | C | 96.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | trans | -60.2 | 149.4 | 178.4 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | H226 A232 C243 | H226-C228 PolarHBondContact ND1-N 3.2Å; C228-A232 HydrophobicContact CB-CB 4.28Å; C228-C243 WeakPolarHBondContact CA-SG 3.48Å; C228-C243 HydrophobicContact CB-CB 3.71Å; C228-C243 WeakPolarHBondContact CB-SG 3.35Å; C228-C243 WeakPolarHBondContact SG-CB 3.44Å; C228-C243 CovalentContact SG-SG 2.02Å; C228-C243 PolarHBondContact SG-SG 3.07Å | ||
| 229 | S | 96.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 68 Ų | 68 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | trans | -58.2 | 148.3 | 170.9 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | H231 A232 G253 F254 | S229-H231 PolarHBondContact O-N 3.14Å; S229-H231 VanDerWaalsContact O-N 3.07Å; S229-H231 PolarHBondContact OG-N 2.04Å; S229-A232 WeakPolarHBondContact O-CB 3.43Å; S229-A232 PolarHBondContact O-N 2.83Å; S229-G253 WeakPolarHBondContact CB-O 3.41Å; S229-G253 PolarHBondContact N-O 3.39Å; S229-F254 WeakPolarHBondContact CB-O 3.06Å; S229-F254 PolarHBondContact N-O 2.03Å | ||
| 230 | Q | 94.3 | Very high | 94.3 | Very high | 152 Ų | 152 | 68 Ų | 68 | 71% | 0.71 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.5 | 169.3 | 67.7 | -176 | 11.9 | 0 | 0 | 113.2 | A232 K246 | Q230-A232 VanDerWaalsContact C-N 3.33Å; Q230-K246 PolarHBondContact O-NZ 3.22Å |
| 231 | H | 94.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 19.5 | 176.8 | -57 | -58 | 0 | 0 | 0 | 113 | S229 K246 F249 C256 | S229-H231 PolarHBondContact O-N 3.14Å; S229-H231 VanDerWaalsContact O-N 3.07Å; S229-H231 PolarHBondContact OG-N 2.04Å; H231-K246 WeakPolarHBondContact O-CB 3.44Å; H231-K246 WeakPolarHBondContact O-CG 3.35Å; H231-K246 PolarHBondContact O-N 3.42Å; H231-F249 HydrophobicContact CB-CD1 3.65Å; H231-F249 HydrophobicContact CB-CD2 4.08Å; H231-F249 HydrophobicContact CB-CE1 3.76Å; H231-F249 HydrophobicContact CB-CE2 4.18Å; H231-F249 HydrophobicContact CB-CG 3.84Å; H231-F249 HydrophobicContact CB-CZ 4.03Å; H231-F249 AromaticContact CD2-CE1 3.48Å; H231-F249 VanDerWaalsContact CD2-CE1 3.48Å; H231-F249 WeakPolarHBondContact CD2-CE1 3.37Å; H231-F249 AromaticContact CD2-CZ 4Å; H231-F249 AromaticContact CE1-CZ 3.8Å; H231-F249 AromaticContact CG-CD1 3.81Å; H231-F249 AromaticContact CG-CE1 3.38Å; H231-F249 AromaticContact CG-CZ 3.56Å; H231-F249 AromaticContact ND1-CE1 3.73Å; H231-F249 AromaticContact ND1-CE2 3.97Å; H231-F249 AromaticContact ND1-CZ 3.43Å; H231-F249 WeakPolarHBondContact ND1-CZ 3.28Å; H231-F249 AromaticContact NE2-CE1 3.9Å; H231-C256 HydrophobicContact CB-CB 3.97Å |
| 232 | A | 96.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 74.8 Ų | 74.8 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 163.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C228 S229 Q230 C243 R244 K246 G253 | C228-A232 HydrophobicContact CB-CB 4.28Å; S229-A232 WeakPolarHBondContact O-CB 3.43Å; S229-A232 PolarHBondContact O-N 2.83Å; Q230-A232 VanDerWaalsContact C-N 3.33Å; A232-C243 HydrophobicContact CB-CB 4.26Å; A232-R244 CarbonylContact C-O 3.25Å; A232-R244 VanDerWaalsContact CA-O 3.27Å; A232-R244 WeakPolarHBondContact CA-O 3.41Å; A232-R244 WeakPolarHBondContact CB-O 3.42Å; A232-K246 WeakPolarHBondContact O-CE 3.37Å; A232-G253 WeakPolarHBondContact CB-O 3.36Å |
| 233 | V | 96.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.7 | 169.7 | -180 | 0 | 0 | 0 | 0 | 107.3 | L235 R244 K246 | V233-L235 HydrophobicContact CG1-CD2 4.4Å; V233-R244 PolarHBondContact N-O 3.34Å; V233-R244 PolarHBondContact O-N 3.02Å; V233-K246 HydrophobicContact CG2-CG 3.86Å |
| 234 | C | 97.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 75.6 Ų | 75.6 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.9 | 172.9 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | C221 H226 | C221-C234 WeakPolarHBondContact CA-SG 3.36Å; C221-C234 HydrophobicContact CB-CB 3.75Å; C221-C234 WeakPolarHBondContact CB-SG 3.47Å; C221-C234 WeakPolarHBondContact SG-CB 3.41Å; C221-C234 CovalentContact SG-SG 2.04Å; C221-C234 PolarHBondContact SG-SG 3.21Å; H226-C234 VanDerWaalsContact CB-SG 3.58Å; H226-C234 PolarHBondContact CD2-SG 3.24Å |
| 235 | L | 96.1 | Very high | 95.1 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 113.5 | 174.9 | -59.1 | 171.7 | 0 | 0 | 0 | 108.4 | C221 V233 Y241 R242 R244 | C221-L235 PolarHBondContact SG-N 3.43Å; V233-L235 HydrophobicContact CG1-CD2 4.4Å; L235-Y241 WeakPolarHBondContact O-CA 3.04Å; L235-R242 HydrophobicContact CB-CG 3.8Å; L235-R242 HydrophobicContact CD1-CG 4.24Å; L235-R242 PolarHBondContact N-O 3.32Å; L235-R242 PolarHBondContact O-N 2.78Å; L235-R244 HydrophobicContact CD1-CB 4.25Å |
| 236 | N | 96 | Very high | 95.2 | Very high | 51 Ų | 51 | 68.8 Ų | 68.8 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 144.9 | 178.3 | -172.4 | 29.3 | 0 | 0 | 0 | 110.9 | D217 D219 E220 C221 S240 | D217-N236 PolarHBondContact OD2-ND2 3.12Å; D217-N236 PolarHBondContact OD2-OD1 3.17Å; D219-N236 VanDerWaalsContact CG-ND2 3.26Å; D219-N236 WeakPolarHBondContact OD1-CB 2.99Å; D219-N236 PolarHBondContact OD2-ND2 3.46Å; E220-N236 PolarHBondContact OE2-OD1 3.1Å; C221-N236 HydrophobicContact CB-CB 4.41Å; C221-N236 PolarHBondContact SG-N 3.18Å; N236-S240 PolarHBondContact OD1-O 3.32Å |
| 237 | T | 93.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 71.8 Ų | 71.8 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.2 | 179 | 55 | 0 | 0 | 0 | 0 | 109.7 | G239 S240 R242 | T237-G239 PolarHBondContact O-N 3.01Å; T237-S240 CarbonylContact C-O 3.59Å; T237-S240 VanDerWaalsContact C-O 3.25Å; T237-S240 VanDerWaalsContact CA-O 3.29Å; T237-S240 WeakPolarHBondContact CA-O 3.12Å; T237-S240 WeakPolarHBondContact CB-O 3.43Å; T237-S240 PolarHBondContact N-O 3.45Å; T237-S240 CarbonylContact O-C 3.5Å; T237-S240 PolarHBondContact O-N 2.9Å; T237-S240 VanDerWaalsContact O-N 3.08Å; T237-S240 PolarHBondContact OG1-O 3.25Å; T237-R242 HydrophobicContact CG2-CG 4.27Å |
| 238 | H | 92.1 | Very high | 94.9 | Very high | 166 Ų | 166 | 65.9 Ų | 65.9 | 77% | 0.769 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 115.8 | -179.3 | -74.5 | 65 | 0 | 0 | 0 | 111 | D217 | D217-H238 WeakPolarHBondContact OD1-CA 3.46Š|
| 239 | G | 90.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 7.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y204 D217 T237 | Y204-G239 PolarHBondContact OH-N 2.97Å; D217-G239 PolarHBondContact OD1-N 2.91Å; T237-G239 PolarHBondContact O-N 3.01Å |
| 240 | S | 94.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 74.3 Ų | 74.3 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | -174.4 | -179.5 | -156 | 0 | 0 | 0 | 0 | 113 | N236 T237 | N236-S240 PolarHBondContact OD1-O 3.32Å; T237-S240 CarbonylContact C-O 3.59Å; T237-S240 VanDerWaalsContact C-O 3.25Å; T237-S240 VanDerWaalsContact CA-O 3.29Å; T237-S240 WeakPolarHBondContact CA-O 3.12Å; T237-S240 WeakPolarHBondContact CB-O 3.43Å; T237-S240 PolarHBondContact N-O 3.45Å; T237-S240 CarbonylContact O-C 3.5Å; T237-S240 PolarHBondContact O-N 2.9Å; T237-S240 VanDerWaalsContact O-N 3.08Å; T237-S240 PolarHBondContact OG1-O 3.25Å |
| 241 | Y | 95.6 | Very high | 94.5 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 15% | 0.153 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 157.9 | 169 | 64.5 | -77.4 | 0 | 0 | 0 | 111.2 | E220 H226 K227 L235 F254 | E220-Y241 HydrophobicContact CB-CD1 3.6Å; E220-Y241 HydrophobicContact CB-CE1 4.05Å; E220-Y241 HydrophobicContact CB-CG 4.13Å; E220-Y241 VanDerWaalsContact CD-CD1 3.46Å; E220-Y241 HydrophobicContact CG-CD1 3.73Å; E220-Y241 HydrophobicContact CG-CE1 4.12Å; E220-Y241 WeakPolarHBondContact OE2-CD1 3.08Å; H226-Y241 HydrophobicContact CB-CD2 3.77Å; H226-Y241 HydrophobicContact CB-CE2 3.56Å; H226-Y241 HydrophobicContact CB-CG 4.35Å; K227-Y241 WeakPolarHBondContact CB-OH 3.49Å; K227-Y241 PolarHBondContact N-OH 2.86Å; L235-Y241 WeakPolarHBondContact O-CA 3.04Å; Y241-F254 AromaticContact CE2-CE1 3.59Å; Y241-F254 HydrophobicContact CE2-CE1 3.59Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å; Y241-F254 AromaticContact CZ-CE1 3.99Å |
| 242 | R | 95.5 | Very high | 94.4 | Very high | 156 Ų | 156 | 71.7 Ų | 71.7 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.9 | 170.8 | 67.7 | -178.2 | -179.7 | 174.4 | -2.3 | 110.8 | L235 T237 | L235-R242 HydrophobicContact CB-CG 3.8Å; L235-R242 HydrophobicContact CD1-CG 4.24Å; L235-R242 PolarHBondContact N-O 3.32Å; L235-R242 PolarHBondContact O-N 2.78Å; T237-R242 HydrophobicContact CG2-CG 4.27Å |
| 243 | C | 97.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 71.2 Ų | 71.2 | 10% | 0.095 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.8 | 178.8 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | C228 A232 G253 F254 | C228-C243 WeakPolarHBondContact CA-SG 3.48Å; C228-C243 HydrophobicContact CB-CB 3.71Å; C228-C243 WeakPolarHBondContact CB-SG 3.35Å; C228-C243 WeakPolarHBondContact SG-CB 3.44Å; C228-C243 CovalentContact SG-SG 2.02Å; C228-C243 PolarHBondContact SG-SG 3.07Å; A232-C243 HydrophobicContact CB-CB 4.26Å; C243-G253 VanDerWaalsContact CB-O 3.23Å; C243-G253 WeakPolarHBondContact CB-O 3.5Å; C243-F254 HydrophobicContact CB-CD2 4.48Å; C243-F254 HydrophobicContact CB-CE2 4.46Å; C243-F254 VanDerWaalsContact SG-CE1 3.5Å |
| 244 | R | 96.4 | Very high | 94.1 | Very high | 158 Ų | 158 | 72.5 Ų | 72.5 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.9 | 175.1 | -176.6 | 174.8 | 65 | 171.9 | -0.6 | 110 | A232 V233 L235 K246 | A232-R244 CarbonylContact C-O 3.25Å; A232-R244 VanDerWaalsContact CA-O 3.27Å; A232-R244 WeakPolarHBondContact CA-O 3.41Å; A232-R244 WeakPolarHBondContact CB-O 3.42Å; V233-R244 PolarHBondContact N-O 3.34Å; V233-R244 PolarHBondContact O-N 3.02Å; L235-R244 HydrophobicContact CD1-CB 4.25Å; R244-K246 PolarHBondContact O-N 3.5Å |
| 245 | C | 96.6 | Very high | 94 | Very high | 23 Ų | 23 | 78.6 Ų | 78.6 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 137.8 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | F249 C256 | C245-F249 HydrophobicContact CB-CB 3.94Å; C245-C256 WeakPolarHBondContact CA-SG 3.07Å; C245-C256 HydrophobicContact CB-CB 3.99Å; C245-C256 WeakPolarHBondContact CB-SG 3.08Å; C245-C256 WeakPolarHBondContact SG-CB 3.33Å; C245-C256 CovalentContact SG-SG 2.05Å; C245-C256 PolarHBondContact SG-SG 2.05Å |
| 246 | K | 95.6 | Very high | 93.9 | Very high | 90 Ų | 90 | 77 Ų | 77 | 39% | 0.391 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.7 | 174.5 | -71.2 | 172.1 | -178.5 | 162.5 | 0 | 110 | Q230 H231 A232 V233 R244 G248 F249 | Q230-K246 PolarHBondContact O-NZ 3.22Å; H231-K246 WeakPolarHBondContact O-CB 3.44Å; H231-K246 WeakPolarHBondContact O-CG 3.35Å; H231-K246 PolarHBondContact O-N 3.42Å; A232-K246 WeakPolarHBondContact O-CE 3.37Å; V233-K246 HydrophobicContact CG2-CG 3.86Å; R244-K246 PolarHBondContact O-N 3.5Å; K246-G248 PolarHBondContact O-N 3.05Å; K246-F249 HydrophobicContact CB-CD2 4.49Å; K246-F249 PolarHBondContact O-N 3.19Å |
| 247 | P | 93.1 | Very high | 93.7 | Very high | 125 Ų | 125 | 78.3 Ų | 78.3 | 81% | 0.812 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 140 | 173.4 | -26.3 | 35.1 | 0 | 0 | 0 | 111.7 | F249 | P247-F249 VanDerWaalsContact C-N 3.32Š|
| 248 | G | 89.6 | Confident | 93.6 | Very high | 42 Ų | 42 | 79.2 Ų | 79.2 | 43% | 0.433 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -4.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K246 K259 | K246-G248 PolarHBondContact O-N 3.05Å; G248-K259 PolarHBondContact O-N 2.98Å |
| 249 | F | 92.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 23% | 0.228 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.3 | 176.1 | -64.3 | -99.3 | 0 | 0 | 0 | 112.3 | H231 C245 K246 P247 C256 S257 A258 K259 | H231-F249 HydrophobicContact CB-CD1 3.65Å; H231-F249 HydrophobicContact CB-CD2 4.08Å; H231-F249 HydrophobicContact CB-CE1 3.76Å; H231-F249 HydrophobicContact CB-CE2 4.18Å; H231-F249 HydrophobicContact CB-CG 3.84Å; H231-F249 HydrophobicContact CB-CZ 4.03Å; H231-F249 AromaticContact CD2-CE1 3.48Å; H231-F249 VanDerWaalsContact CD2-CE1 3.48Å; H231-F249 WeakPolarHBondContact CD2-CE1 3.37Å; H231-F249 AromaticContact CD2-CZ 4Å; H231-F249 AromaticContact CE1-CZ 3.8Å; H231-F249 AromaticContact CG-CD1 3.81Å; H231-F249 AromaticContact CG-CE1 3.38Å; H231-F249 AromaticContact CG-CZ 3.56Å; H231-F249 AromaticContact ND1-CE1 3.73Å; H231-F249 AromaticContact ND1-CE2 3.97Å; H231-F249 AromaticContact ND1-CZ 3.43Å; H231-F249 WeakPolarHBondContact ND1-CZ 3.28Å; H231-F249 AromaticContact NE2-CE1 3.9Å; C245-F249 HydrophobicContact CB-CB 3.94Å; K246-F249 HydrophobicContact CB-CD2 4.49Å; K246-F249 PolarHBondContact O-N 3.19Å; P247-F249 VanDerWaalsContact C-N 3.32Å; F249-C256 HydrophobicContact CB-CB 4.07Å; F249-C256 HydrophobicContact CD1-CB 4.4Å; F249-S257 CarbonylContact C-O 3.55Å; F249-S257 WeakPolarHBondContact CA-O 3.04Å; F249-A258 HydrophobicContact CE1-CB 4.37Å; F249-K259 WeakPolarHBondContact O-CE 3.28Å |
| 250 | R | 91.3 | Very high | 92.4 | Very high | 165 Ų | 165 | 80.1 Ų | 80.1 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.9 | 176.5 | -174.8 | 178.4 | -178.3 | 175.5 | 1.4 | 110.1 | S257 K259 | R250-S257 PolarHBondContact N-O 3.31Å; R250-S257 PolarHBondContact O-N 3.37Å; R250-S257 PolarHBondContact O-OG 3.44Å; R250-K259 HydrophobicContact CB-CG 3.92Å |
| 251 | G | 92.9 | Very high | 90.9 | Very high | 54 Ų | 54 | 87.7 Ų | 87.7 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 154.3 | -162.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G253 E255 | G251-G253 VanDerWaalsContact C-N 3.32Å; G251-E255 WeakPolarHBondContact CA-O 3.5Å |
| 252 | N | 92.4 | Very high | 89.1 | Confident | 105 Ų | 105 | 96.5 Ų | 96.5 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -89.1 | 2.2 | 179.2 | 66.2 | 6.3 | 0 | 0 | 0 | 113 | F254 E255 | N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 2.84Å; N252-F254 PolarHBondContact OD1-N 3.5Å; N252-E255 PolarHBondContact N-O 2.8Å; N252-E255 PolarHBondContact OD1-N 3.41Å; N252-E255 PolarHBondContact OD1-O 3.37Å |
| 253 | G | 93 | Very high | 86.8 | Confident | 0 Ų | 0 | 95.9 Ų | 95.9 | 0% | 0 | 49% | 0.492 | C | S | . | . | S | Bend | trans | 89.1 | -29.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S229 A232 C243 G251 | S229-G253 WeakPolarHBondContact CB-O 3.41Å; S229-G253 PolarHBondContact N-O 3.39Å; A232-G253 WeakPolarHBondContact CB-O 3.36Å; C243-G253 VanDerWaalsContact CB-O 3.23Å; C243-G253 WeakPolarHBondContact CB-O 3.5Å; G251-G253 VanDerWaalsContact C-N 3.32Å |
| 254 | F | 93.8 | Very high | 84.2 | Confident | 89 Ų | 89 | 106.6 Ų | 106.6 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -79.5 | -32.7 | 169.1 | -64.3 | -86.5 | 0 | 0 | 0 | 110.8 | K227 S229 Y241 C243 N252 | K227-F254 HydrophobicContact CB-CD1 4.23Å; K227-F254 HydrophobicContact CB-CE1 4.34Å; K227-F254 WeakPolarHBondContact O-CD1 3.15Å; S229-F254 WeakPolarHBondContact CB-O 3.06Å; S229-F254 PolarHBondContact N-O 2.03Å; Y241-F254 AromaticContact CE2-CE1 3.59Å; Y241-F254 HydrophobicContact CE2-CE1 3.59Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å; Y241-F254 AromaticContact CZ-CE1 3.99Å; C243-F254 HydrophobicContact CB-CD2 4.48Å; C243-F254 HydrophobicContact CB-CE2 4.46Å; C243-F254 VanDerWaalsContact SG-CE1 3.5Å; N252-F254 VanDerWaalsContact C-N 3.28Å; N252-F254 PolarHBondContact O-N 2.84Å; N252-F254 PolarHBondContact OD1-N 3.5Å |
| 255 | E | 95 | Very high | 81.6 | Confident | 149 Ų | 149 | 103.4 Ų | 103.4 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -125.5 | 126.4 | 170.6 | -168.6 | 173 | -165.9 | 0 | 0 | 108.4 | G251 N252 | G251-E255 WeakPolarHBondContact CA-O 3.5Å; N252-E255 PolarHBondContact N-O 2.8Å; N252-E255 PolarHBondContact OD1-N 3.41Å; N252-E255 PolarHBondContact OD1-O 3.37Å |
| 256 | C | 94.4 | Very high | 79.1 | Confident | 15 Ų | 15 | 114.7 Ų | 114.7 | 10% | 0.101 | 57% | 0.571 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.7 | 120.5 | -176.9 | -69.4 | 0 | 0 | 0 | 0 | 109.2 | H231 C245 F249 | H231-C256 HydrophobicContact CB-CB 3.97Å; C245-C256 WeakPolarHBondContact CA-SG 3.07Å; C245-C256 HydrophobicContact CB-CB 3.99Å; C245-C256 WeakPolarHBondContact CB-SG 3.08Å; C245-C256 WeakPolarHBondContact SG-CB 3.33Å; C245-C256 CovalentContact SG-SG 2.05Å; C245-C256 PolarHBondContact SG-SG 2.05Å; F249-C256 HydrophobicContact CB-CB 4.07Å; F249-C256 HydrophobicContact CD1-CB 4.4Å |
| 257 | S | 93.1 | Very high | 76.6 | Confident | 78 Ų | 78 | 116.2 Ų | 116.2 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.1 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 110.3 | F249 R250 K259 | F249-S257 CarbonylContact C-O 3.55Å; F249-S257 WeakPolarHBondContact CA-O 3.04Å; R250-S257 PolarHBondContact N-O 3.31Å; R250-S257 PolarHBondContact O-N 3.37Å; R250-S257 PolarHBondContact O-OG 3.44Å; S257-K259 PolarHBondContact O-N 3.36Å |
| 258 | A | 90.1 | Very high | 74.4 | Confident | 69 Ų | 69 | 114.5 Ų | 114.5 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F249 P260 | F249-A258 HydrophobicContact CE1-CB 4.37Å; A258-P260 WeakPolarHBondContact O-CD 3.4Å |
| 259 | K | 83 | Confident | 72.1 | Confident | 113 Ų | 113 | 119.6 Ų | 119.6 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 124.3 | 172.4 | -71.9 | -177.2 | -178.8 | -176.3 | 0 | 108.1 | G248 F249 R250 S257 F261 | G248-K259 PolarHBondContact O-N 2.98Å; F249-K259 WeakPolarHBondContact O-CE 3.28Å; R250-K259 HydrophobicContact CB-CG 3.92Å; S257-K259 PolarHBondContact O-N 3.36Å; K259-F261 PolarHBondContact O-N 2.75Å |
| 260 | P | 74.1 | Confident | 69.9 | Low | 90 Ų | 90 | 127.2 Ų | 127.2 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 130.6 | 171.4 | 23.8 | -29.9 | 0 | 0 | 0 | 109.1 | A258 Y262 Q263 | A258-P260 WeakPolarHBondContact O-CD 3.4Å; P260-Y262 PolarHBondContact O-N 2.96Å; P260-Q263 PolarHBondContact O-N 3.06Å |
| 261 | F | 63.5 | Low | 67.3 | Low | 215 Ų | 215 | 122.9 Ų | 122.9 | 94% | 0.943 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -6.7 | -175.8 | -91.5 | -94.2 | 0 | 0 | 0 | 115.3 | K259 | K259-F261 PolarHBondContact O-N 2.75Š|
| 262 | Y | 58.4 | Low | 64.5 | Low | 224 Ų | 224 | 125.8 Ų | 125.8 | 88% | 0.878 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -1.2 | -172.6 | -96.5 | -86.5 | 0 | 0 | 0 | 116.4 | P260 R264 | P260-Y262 PolarHBondContact O-N 2.96Å; Y262-R264 PolarHBondContact O-N 3.04Å |
| 263 | Q | 46.3 | Very low | 62 | Low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | trans | -95.4 | 91.3 | 172 | -83.2 | 178.1 | -29.1 | 0 | 0 | 110.8 | P260 S265 | P260-Q263 PolarHBondContact O-N 3.06Å; Q263-S265 PolarHBondContact O-N 2.87Å | ||
| 264 | R | 43.9 | Very low | 59.8 | Low | 239 Ų | 239 | 132.7 Ų | 132.7 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | trans | -58.2 | 131.7 | 152.8 | -70.4 | -175.1 | -168.6 | 165.3 | 3.8 | 107.5 | Y262 W266 | Y262-R264 PolarHBondContact O-N 3.04Å; R264-W266 PolarHBondContact O-N 2.96Å | ||
| 265 | S | 41.1 | Very low | 57.3 | Low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | trans | -52.7 | 123.3 | 169.3 | -130.4 | 0 | 0 | 0 | 0 | 108.6 | Q263 D267 | Q263-S265 PolarHBondContact O-N 2.87Å; S265-D267 PolarHBondContact O-N 3.43Å; S265-D267 PolarHBondContact OG-OD2 3.47Å | ||
| 266 | W | 44.8 | Very low | 54.7 | Low | 261 Ų | 261 | 133.8 Ų | 133.8 | 99% | 0.989 | 73% | 0.734 | S | S | * | * | trans | -77.1 | 68.9 | 153.3 | -92.8 | -3.2 | 0 | 0 | 0 | 107.4 | R264 | R264-W266 PolarHBondContact O-N 2.96Š| ||
| 267 | D | 41.4 | Very low | 52.4 | Low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | trans | -114.6 | 107.6 | 156.5 | -68.2 | -59.6 | 0 | 0 | 0 | 104.7 | S265 D269 | S265-D267 PolarHBondContact O-N 3.43Å; S265-D267 PolarHBondContact OG-OD2 3.47Å; D267-D269 PolarHBondContact O-N 3.17Å | ||
| 268 | G | 47.7 | Very low | 49.5 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | trans | -66.6 | 81.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 269 | D | 41.9 | Very low | 46.9 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -143.6 | 139.9 | 161.5 | -137.3 | -13.5 | 0 | 0 | 0 | 111.8 | D267 G271 | D267-D269 PolarHBondContact O-N 3.17Å; D269-G271 PolarHBondContact O-N 3.07Å | ||
| 270 | K | 46 | Very low | 44.6 | Very low | 212 Ų | 212 | 148.5 Ų | 148.5 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | trans | -69.7 | 92.7 | -171.5 | -73.1 | 173.1 | 175.1 | 172.9 | 0 | 110.4 | ||||
| 271 | G | 35.7 | Very low | 43 | Very low | 74 Ų | 74 | 149.4 Ų | 149.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -101.7 | 119.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D269 | D269-G271 PolarHBondContact O-N 3.07Š| ||
| 272 | S | 35 | Very low | 41.9 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -58.6 | 144.2 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 113.4 | D274 | S272-D274 VanDerWaalsContact C-N 3.31Å; S272-D274 PolarHBondContact O-N 2.98Å | ||
| 273 | A | 41 | Very low | 40.8 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -77.3 | 76.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 274 | D | 45.2 | Very low | 40.5 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -163.7 | 90 | 161.7 | -176.1 | -12.4 | 0 | 0 | 0 | 106.8 | S272 | S272-D274 VanDerWaalsContact C-N 3.31Å; S272-D274 PolarHBondContact O-N 2.98Å | ||
| 275 | D | 42.2 | Very low | 40 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 176.4 | 86.9 | 133.6 | -161.2 | 6.7 | 0 | 0 | 0 | 107.6 | ||||
| 276 | S | 39.4 | Very low | 39.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -149.6 | 59.7 | 173.3 | -68.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 277 | L | 46.6 | Very low | 39 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 97.6 | 159.4 | -95.8 | 155.6 | 0 | 0 | 0 | 105.9 | ||||
| 278 | N | 33.3 | Very low | 38.6 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 178.2 | 134.6 | 130.8 | -87.5 | -33 | 0 | 0 | 0 | 113.3 | ||||
| 279 | V | 34.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | 84.9 | 84.6 | 163 | -162.7 | 0 | 0 | 0 | 0 | 117.6 | P281 | V279-P281 HydrophobicContact CG1-CG 4.28Š| ||
| 280 | I | 33.6 | Very low | 37.9 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -97.7 | 122.8 | 142.2 | -56 | 171.5 | 0 | 0 | 0 | 106.2 | ||||
| 281 | P | 42.3 | Very low | 37.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 108.2 | 155.4 | 10.2 | 9 | 0 | 0 | 0 | 108.1 | V279 | V279-P281 HydrophobicContact CG1-CG 4.28Š| ||
| 282 | D | 39.4 | Very low | 37.4 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 41.5 | 90.5 | 151.8 | -143.6 | 4 | 0 | 0 | 0 | 117.8 | ||||
| 283 | S | 35.3 | Very low | 37.9 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 114.3 | 155.2 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | V285 | S283-V285 PolarHBondContact O-N 3.07Š| ||
| 284 | Q | 39.5 | Very low | 37.7 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 68.2 | 175.4 | -66.4 | -175.4 | 5 | 0 | 0 | 111.2 | ||||
| 285 | V | 33.8 | Very low | 37.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | trans | -143.5 | 98.7 | 159.1 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | S283 P287 | S283-V285 PolarHBondContact O-N 3.07Å; V285-P287 WeakPolarHBondContact O-CD 3.48Å | ||
| 286 | R | 31.4 | Very low | 37.9 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 117.2 | 164 | -164.8 | -177.3 | -149.3 | -149.6 | 5.2 | 106.7 | E288 | R286-E288 PolarHBondContact O-N 3.05Å; R286-E288 VanDerWaalsContact O-N 3.17Å | ||
| 287 | P | 33 | Very low | 38.4 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 112.3 | 172.7 | -5.7 | 22.6 | 0 | 0 | 0 | 107.5 | V285 I289 | V285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-I289 PolarHBondContact O-N 2.98Å | ||
| 288 | E | 33.4 | Very low | 38.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -58.7 | 131.1 | 163.4 | -72.9 | -175.8 | 158.6 | 0 | 0 | 108.7 | R286 L290 | R286-E288 PolarHBondContact O-N 3.05Å; R286-E288 VanDerWaalsContact O-N 3.17Å; E288-L290 PolarHBondContact O-N 2.97Å | ||
| 289 | I | 43.1 | Very low | 38.9 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -67.8 | 98.3 | 174 | -59.9 | 169.6 | 0 | 0 | 0 | 106.8 | P287 | P287-I289 PolarHBondContact O-N 2.98Š| ||
| 290 | L | 32.8 | Very low | 39.4 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -106.7 | 105.1 | 159.3 | -119.5 | 86.5 | 0 | 0 | 0 | 108.8 | E288 G292 | E288-L290 PolarHBondContact O-N 2.97Å; L290-G292 PolarHBondContact O-N 3.1Å | ||
| 291 | G | 38.5 | Very low | 39.9 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -61.4 | 118.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 292 | G | 32.7 | Very low | 40.1 | Very low | 56 Ų | 56 | 143.8 Ų | 143.8 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | trans | -169.8 | 119.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | L290 L294 | L290-G292 PolarHBondContact O-N 3.1Å; G292-L294 PolarHBondContact O-N 3.16Å; G292-L294 VanDerWaalsContact O-N 3.13Å | ||
| 293 | K | 45.4 | Very low | 40.4 | Very low | 223 Ų | 223 | 144 Ų | 144 | 97% | 0.97 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 110 | 170.1 | -83.9 | 176.9 | 172.3 | 177.7 | 0 | 108.1 | ||||
| 294 | L | 36.9 | Very low | 40.7 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -96.5 | 129.3 | 166 | -87.9 | 115.5 | 0 | 0 | 0 | 110.2 | G292 E298 | G292-L294 PolarHBondContact O-N 3.16Å; G292-L294 VanDerWaalsContact O-N 3.13Å; L294-E298 WeakPolarHBondContact CD2-OE2 3.31Å | ||
| 295 | S | 39.3 | Very low | 40.9 | Very low | 94 Ų | 94 | 145 Ų | 145 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -75.9 | 158.4 | -179.4 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | E297 | S295-E297 PolarHBondContact O-N 2.87Š| ||
| 296 | N | 50.6 | Low | 41.6 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 25.3 | -164.6 | -128 | 9.6 | 0 | 0 | 0 | 116.7 | ||
| 297 | E | 49.6 | Very low | 42.3 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -2.1 | -175.5 | -71 | -176.5 | 158.2 | 0 | 0 | 114.5 | S295 | S295-E297 PolarHBondContact O-N 2.87Š|
| 298 | E | 42.9 | Very low | 42.8 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -97 | -4.4 | 174.2 | -67 | -176 | -179.6 | 0 | 0 | 113.9 | L294 K300 | L294-E298 WeakPolarHBondContact CD2-OE2 3.31Å; E298-K300 PolarHBondContact O-N 3.47Å |
| 299 | I | 48.5 | Very low | 43.2 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 44.8 | 175.6 | -42.3 | 176.9 | 0 | 0 | 0 | 111.3 | ||
| 300 | K | 45.7 | Very low | 43.2 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | -3 | 173.6 | -91.4 | -172.1 | 178.1 | 179.9 | 0 | 116.6 | E298 | E298-K300 PolarHBondContact O-N 3.47Š|
| 301 | N | 44.3 | Very low | 43.8 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -124.8 | 49.9 | -178.4 | -71.2 | -17 | 0 | 0 | 0 | 113.8 | ||
| 302 | A | 45.4 | Very low | 43.9 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -145.9 | 53.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 303 | I | 45.5 | Very low | 44.2 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -120.3 | 110 | 161.6 | -55.8 | 173.3 | 0 | 0 | 0 | 105.2 | E305 | I303-E305 PolarHBondContact O-N 2.82Š| ||
| 304 | P | 41.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 125.4 | 159.5 | 13.7 | -3.2 | 0 | 0 | 0 | 107.4 | ||||
| 305 | E | 44.9 | Very low | 43.5 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -53.4 | 138.2 | 172.8 | -65.9 | -179.8 | 161.7 | 0 | 0 | 110.4 | I303 V307 | I303-E305 PolarHBondContact O-N 2.82Å; E305-V307 PolarHBondContact O-N 2.83Å | ||
| 306 | T | 47.1 | Very low | 43.6 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 113.5 | 173.2 | 49.1 | 0 | 0 | 0 | 0 | 109.1 | P308 | T306-P308 WeakPolarHBondContact O-CD 3.43Š| ||
| 307 | V | 46.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 123.5 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | E305 T309 | E305-V307 PolarHBondContact O-N 2.83Å; V307-T309 PolarHBondContact O-N 3.35Å; V307-T309 VanDerWaalsContact O-N 3.12Å | ||
| 308 | P | 44.2 | Very low | 42.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -68.3 | 112.4 | 172.6 | 26.4 | -29.7 | 0 | 0 | 0 | 108.2 | T306 P310 | T306-P308 WeakPolarHBondContact O-CD 3.43Å; P308-P310 WeakPolarHBondContact O-CD 3.5Å | ||
| 309 | T | 41.1 | Very low | 41.9 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.3 | 165.6 | 30.9 | 0 | 0 | 0 | 0 | 108.3 | V307 S311 | V307-T309 PolarHBondContact O-N 3.35Å; V307-T309 VanDerWaalsContact O-N 3.12Å; T309-S311 PolarHBondContact O-N 3.46Å |
| 310 | P | 44.3 | Very low | 41.1 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 138.8 | 172.5 | 25.3 | -30.7 | 0 | 0 | 0 | 108.9 | P308 | P308-P310 WeakPolarHBondContact O-CD 3.5Š|
| 311 | S | 43.8 | Very low | 40.6 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 132 | 171.4 | 43.8 | 0 | 0 | 0 | 0 | 109.9 | T309 N313 | T309-S311 PolarHBondContact O-N 3.46Å; S311-N313 PolarHBondContact O-N 2.88Å; S311-N313 VanDerWaalsContact O-N 3.17Å |
| 312 | P | 41.5 | Very low | 40.1 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 126.4 | 168.7 | -8.2 | 21 | 0 | 0 | 0 | 107.1 | V314 | P312-V314 PolarHBondContact O-N 2.9Š|
| 313 | N | 38.4 | Very low | 39.7 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -52 | 112.7 | 166.5 | -89.9 | -35.9 | 0 | 0 | 0 | 107.3 | S311 L315 | S311-N313 PolarHBondContact O-N 2.88Å; S311-N313 VanDerWaalsContact O-N 3.17Å; N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 2.69Å | ||
| 314 | V | 37.9 | Very low | 39.1 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 98.8 | 163.3 | 177.8 | 0 | 0 | 0 | 0 | 104.9 | P312 H316 | P312-V314 PolarHBondContact O-N 2.9Å; V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.95Å | ||
| 315 | L | 31.2 | Very low | 38.6 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -66 | 101.6 | 157 | -166.7 | 77.1 | 0 | 0 | 0 | 104.7 | N313 Q317 | N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 2.69Å; L315-Q317 VanDerWaalsContact C-N 3.3Å; L315-Q317 HydrophobicContact CD2-CG 4.27Å; L315-Q317 PolarHBondContact O-N 3.25Å | ||
| 316 | H | 40.5 | Very low | 37.8 | Very low | 166 Ų | 166 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -56.6 | 102.8 | 162.9 | -82.1 | -78.5 | 0 | 0 | 0 | 106.6 | V314 | V314-H316 VanDerWaalsContact C-N 3.26Å; V314-H316 PolarHBondContact O-N 2.95Å | ||
| 317 | Q | 34.3 | Very low | 37 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -79.9 | 129.8 | 161.1 | -73.4 | -167.8 | -49.1 | 0 | 0 | 107.4 | L315 | L315-Q317 VanDerWaalsContact C-N 3.3Å; L315-Q317 HydrophobicContact CD2-CG 4.27Å; L315-Q317 PolarHBondContact O-N 3.25Å | ||
| 318 | P | 35.2 | Very low | 36.2 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 155.8 | 178.8 | -13.1 | 27.9 | 0 | 0 | 0 | 110.8 | ||||
| 319 | F | 38.3 | Very low | 35.4 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | -40.8 | 136.5 | 162.3 | -74.5 | -105.2 | 0 | 0 | 0 | 111.9 | ||||
| 320 | D | 31.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -142.8 | 117 | 146.5 | -99.3 | -29.7 | 0 | 0 | 0 | 109.6 | ||||
| 321 | Y | 34.8 | Very low | 34.2 | Very low | 220 Ų | 220 | 140.3 Ų | 140.3 | 86% | 0.863 | 77% | 0.773 | S | S | * | * | trans | -105.3 | 86.9 | 169.7 | -169.5 | -85.5 | 0 | 0 | 0 | 105.6 | G323 | Y321-G323 PolarHBondContact O-N 2.79Š| ||
| 322 | D | 33.9 | Very low | 33.5 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -84.3 | 106.2 | 172.8 | -78.1 | -32.7 | 0 | 0 | 0 | 109.9 | E324 | D322-E324 PolarHBondContact O-N 2.03Š| ||
| 323 | G | 36.5 | Very low | 32.8 | Very low | 58 Ų | 58 | 146.6 Ų | 146.6 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 110.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y321 V325 | Y321-G323 PolarHBondContact O-N 2.79Å; G323-V325 PolarHBondContact O-N 3.35Å | ||
| 324 | E | 33.6 | Very low | 32.2 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 95.3 | 167.4 | -68.8 | -169.1 | 169.7 | 0 | 0 | 109.9 | D322 | D322-E324 PolarHBondContact O-N 2.03Š| ||
| 325 | V | 31.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 114.3 | 160.8 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | G323 V327 | G323-V325 PolarHBondContact O-N 3.35Å; V325-V327 HydrophobicContact CG1-CG2 3.96Å; V325-V327 PolarHBondContact O-N 3.41Å | ||
| 326 | Y | 28.3 | Very low | 31.4 | Very low | 218 Ų | 218 | 155.7 Ų | 155.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -66.3 | 102.2 | 166.4 | -96.6 | -93 | 0 | 0 | 0 | 109.5 | ||||
| 327 | V | 29.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 156 Ų | 156 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 123.5 | 160.3 | -178 | 0 | 0 | 0 | 0 | 107.8 | V325 | V325-V327 HydrophobicContact CG1-CG2 3.96Å; V325-V327 PolarHBondContact O-N 3.41Å |
| 328 | G | 29.5 | Very low | 30.2 | Very low | 63 Ų | 63 | 156.2 Ų | 156.2 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P330 | G328-P330 WeakPolarHBondContact O-CD 3.42Š|
| 329 | T | 28.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.6 | 169.9 | 48.3 | 0 | 0 | 0 | 0 | 111 | ||
| 330 | P | 30.7 | Very low | 30 | Very low | 122 Ų | 122 | 155 Ų | 155 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 135.2 | 160.4 | 11.1 | 7 | 0 | 0 | 0 | 110.2 | G328 | G328-P330 WeakPolarHBondContact O-CD 3.42Š|
| 331 | T | 28.3 | Very low | 29.9 | Very low | 138 Ų | 138 | 157.1 Ų | 157.1 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134 | 166.2 | 38.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 332 | E | 29.2 | Very low | 29.6 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.1 | 162.2 | -75.7 | -128.2 | 158 | 0 | 0 | 110.9 | ||
| 333 | E | 26.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 159 Ų | 159 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | -179.4 | 137 | 117.7 | -100.3 | -170.3 | -159 | 0 | 0 | 112.1 | |||||
| 334 | R | 25.6 | Very low | 28.9 | Very low | 217 Ų | 217 | 165.1 Ų | 165.1 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | 99.7 | 113 | 148.9 | -158.7 | 173.4 | -62.9 | -104.6 | -6.5 | 119.3 | ||||
| 335 | K | 25.1 | Very low | 28.8 | Very low | 195 Ų | 195 | 165.7 Ų | 165.7 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -61.5 | 139.2 | 166.5 | -61.5 | 173 | 173.6 | -178.4 | 0 | 112.9 | ||||
| 336 | E | 26.9 | Very low | 28.6 | Very low | 198 Ų | 198 | 168.7 Ų | 168.7 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -147.4 | 152.5 | 139.7 | -72.6 | -161 | 162.4 | 0 | 0 | 109.8 | ||||
| 337 | E | 26.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 166.7 Ų | 166.7 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -97.6 | 142.4 | -162.1 | -105.3 | 177.9 | 139.8 | 0 | 0 | 115.1 | ||||
| 338 | F | 24.8 | Very low | 28.7 | Very low | 166 Ų | 166 | 170.1 Ų | 170.1 | 73% | 0.728 | 83% | 0.834 | S | S | * | * | trans | 63.1 | 157.7 | 152.6 | -81.2 | -87.9 | 0 | 0 | 0 | 121.6 | ||||
| 339 | P | 36.3 | Very low | 28.9 | Very low | 115 Ų | 115 | 174.3 Ų | 174.3 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | cis | -130.7 | 176.7 | 2 | 33.7 | -11.5 | 0 | 0 | 0 | 117.8 | ||||
| 340 | E | 31.6 | Very low | 29 | Very low | 175 Ų | 175 | 175.7 Ų | 175.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -48.5 | 132.1 | -177.2 | -61.3 | 168.2 | 157.8 | 0 | 0 | 117.7 | ||||
| 341 | E | 30.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 176.1 Ų | 176.1 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -141.9 | 121.5 | 151.5 | -70.3 | -166.1 | 163.5 | 0 | 0 | 111.7 | ||||
| 342 | K | 28.8 | Very low | 29.4 | Very low | 205 Ų | 205 | 177.8 Ų | 177.8 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | trans | 6.6 | 122.9 | 164.1 | -60 | 177.1 | -178.6 | 176.6 | 0 | 120 | ||||
| 343 | E | 27.2 | Very low | 29.8 | Very low | 191 Ų | 191 | 176.1 Ų | 176.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -71.2 | 123.8 | 162.7 | -65.5 | 173.5 | 166.2 | 0 | 0 | 110.4 | ||||
| 344 | E | 28.7 | Very low | 30.3 | Very low | 186 Ų | 186 | 173.6 Ų | 173.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -99.9 | 123.2 | 156 | -72.3 | -176 | 172.2 | 0 | 0 | 106.6 | E346 | E344-E346 PolarHBondContact O-N 2.04Š| ||
| 345 | E | 29.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 170 Ų | 170 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 109.4 | 175.1 | -67.3 | 177 | 161.1 | 0 | 0 | 108.7 | ||||
| 346 | E | 28.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 169.1 Ų | 169.1 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -93.5 | 111.9 | 160.7 | -74.7 | -171 | 169.9 | 0 | 0 | 108 | E344 E348 | E344-E346 PolarHBondContact O-N 2.04Å; E346-E348 PolarHBondContact O-N 2.75Å | ||
| 347 | E | 29 | Very low | 32.4 | Very low | 176 Ų | 176 | 162.7 Ų | 162.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -64.8 | 119.4 | 171.1 | -66.6 | -175.8 | 157.8 | 0 | 0 | 109.4 | E349 | E347-E349 PolarHBondContact O-N 2.95Š| ||
| 348 | E | 30.7 | Very low | 33.2 | Very low | 197 Ų | 197 | 157.8 Ų | 157.8 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -70.4 | 96.2 | 168.9 | -71.8 | -173.5 | 157.3 | 0 | 0 | 109.4 | E346 E350 | E346-E348 PolarHBondContact O-N 2.75Å; E348-E350 PolarHBondContact O-N 3.12Å | ||
| 349 | E | 33.5 | Very low | 34 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -74.6 | 112 | 163.4 | -81.3 | -157.1 | 157.3 | 0 | 0 | 110.2 | E347 N351 | E347-E349 PolarHBondContact O-N 2.95Å; E349-N351 PolarHBondContact O-N 3.35Å | ||
| 350 | E | 30.5 | Very low | 34 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -59.9 | 98.3 | 173.7 | -139.8 | -177.2 | -167.5 | 0 | 0 | 110.4 | E348 Q352 | E348-E350 PolarHBondContact O-N 3.12Å; E350-Q352 PolarHBondContact O-N 3.39Å | ||
| 351 | N | 33.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 151 Ų | 151 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -68.9 | 94.3 | 175.5 | -85.3 | -58.8 | 0 | 0 | 0 | 110.8 | E349 L353 | E349-N351 PolarHBondContact O-N 3.35Å; N351-L353 PolarHBondContact O-N 2.8Å | ||
| 352 | Q | 33.5 | Very low | 34.6 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | -68.6 | 115.3 | 170.3 | -71.4 | -179 | 22.2 | 0 | 0 | 110.7 | E350 | E350-Q352 PolarHBondContact O-N 3.39Š| ||
| 353 | L | 37.9 | Very low | 35.3 | Very low | 154 Ų | 154 | 144 Ų | 144 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -73.2 | 127.1 | 175.3 | -81 | 135.9 | 0 | 0 | 0 | 111.7 | N351 | N351-L353 PolarHBondContact O-N 2.8Š| ||
| 354 | N | 36.4 | Very low | 36 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 58% | 0.578 | 71% | 0.712 | S | S | * | * | trans | -83 | 155.3 | 165.8 | -85.9 | -22.1 | 0 | 0 | 0 | 111.6 | R356 G357 | N354-R356 PolarHBondContact O-N 3.38Å; N354-G357 PolarHBondContact O-N 3.02Å | ||
| 355 | P | 33.6 | Very low | 36.4 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 93% | 0.929 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 3.7 | -178.7 | -18.7 | 30.1 | 0 | 0 | 0 | 116 | ||
| 356 | R | 45 | Very low | 36.7 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -10.2 | -171.5 | -120.7 | -179.6 | 172.5 | 127.7 | -0.7 | 114.2 | N354 D358 | N354-R356 PolarHBondContact O-N 3.38Å; R356-D358 PolarHBondContact O-N 2.96Å; R356-D358 VanDerWaalsContact O-N 3.12Å |
| 357 | G | 44.3 | Very low | 37.1 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | trans | 67.5 | 4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N354 | N354-G357 PolarHBondContact O-N 3.02Š| ||
| 358 | D | 43.3 | Very low | 37.8 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 37% | 0.369 | 69% | 0.689 | S | S | . | * | trans | -85.7 | 124.2 | 172.1 | -64.6 | -38 | 0 | 0 | 0 | 109.5 | R356 F360 | R356-D358 PolarHBondContact O-N 2.96Å; R356-D358 VanDerWaalsContact O-N 3.12Å; D358-F360 HydrophobicContact CB-CD2 3.89Å; D358-F360 HydrophobicContact CB-CE2 3.43Å; D358-F360 VanDerWaalsContact CB-CE2 3.43Å; D358-F360 HydrophobicContact CB-CZ 4.1Å | ||
| 359 | V | 39.9 | Very low | 38 | Very low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.545 | 68% | 0.679 | S | S | . | * | trans | -88.4 | 101.7 | 166.5 | -180 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 360 | F | 36.4 | Very low | 38.1 | Very low | 130 Ų | 130 | 126 Ų | 126 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | trans | -88.7 | 124 | 167.4 | -70 | -82.7 | 0 | 0 | 0 | 108.2 | D358 | D358-F360 HydrophobicContact CB-CD2 3.89Å; D358-F360 HydrophobicContact CB-CE2 3.43Å; D358-F360 VanDerWaalsContact CB-CE2 3.43Å; D358-F360 HydrophobicContact CB-CZ 4.1Å | ||
| 361 | I | 37.4 | Very low | 38.2 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 48% | 0.477 | 68% | 0.676 | S | S | . | * | trans | -87.6 | 138.9 | 171.2 | -50 | 175 | 0 | 0 | 0 | 106.8 | E363 | I361-E363 HydrophobicContact CG2-CB 4.4Å; I361-E363 HydrophobicContact CG2-CG 4.13Å; I361-E363 PolarHBondContact O-N 3.36Å | ||
| 362 | S | 38.3 | Very low | 38.1 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -62.4 | -3.9 | -178.8 | 43.1 | 0 | 0 | 0 | 0 | 115 | D364 | S362-D364 PolarHBondContact O-N 2.79Š|
| 363 | E | 43.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -79.8 | -9.6 | -178.1 | -64.9 | -174.6 | 163.5 | 0 | 0 | 114.5 | I361 F365 | I361-E363 HydrophobicContact CG2-CB 4.4Å; I361-E363 HydrophobicContact CG2-CG 4.13Å; I361-E363 PolarHBondContact O-N 3.36Å; E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.1Å |
| 364 | D | 42 | Very low | 37.9 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 60% | 0.599 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.9 | -3.7 | -179.5 | -80.8 | -21.9 | 0 | 0 | 0 | 114.4 | S362 | S362-D364 PolarHBondContact O-N 2.79Š|
| 365 | F | 36.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 72% | 0.719 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -89.2 | -11.8 | 179.6 | -145.7 | -96.9 | 0 | 0 | 0 | 114.5 | E363 | E363-F365 VanDerWaalsContact C-N 3.3Å; E363-F365 PolarHBondContact O-N 3.1Å |
| 366 | E | 36.7 | Very low | 37.6 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.8 | -1.1 | -178.1 | -75.7 | -167.5 | 157.7 | 0 | 0 | 115.3 | ||
| 367 | S | 37.6 | Very low | 36.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -89.8 | -1.6 | 172.2 | 85.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 368 | V | 43.5 | Very low | 36.4 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -93.4 | -16.9 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 113 | ||
| 369 | F | 35.4 | Very low | 36 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -128.3 | 109.4 | 174.4 | -67.6 | -81 | 0 | 0 | 0 | 109.6 | ||
| 370 | G | 33.8 | Very low | 35.7 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 371 | P | 33.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60 | 147 | -169.2 | 24.3 | -33.8 | 0 | 0 | 0 | 112.2 | T373 | P371-T373 PolarHBondContact O-N 3.01Å; P371-T373 VanDerWaalsContact O-N 3.15Å |
| 372 | P | 32.3 | Very low | 35.9 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.4 | 176.7 | 25.2 | -31.8 | 0 | 0 | 0 | 108.9 | E374 | P372-E374 PolarHBondContact O-N 2.85Š|
| 373 | T | 34.8 | Very low | 35.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.5 | 172.4 | 23.8 | 0 | 0 | 0 | 0 | 108.5 | P371 V375 | P371-T373 PolarHBondContact O-N 3.01Å; P371-T373 VanDerWaalsContact O-N 3.15Å; T373-V375 PolarHBondContact O-N 2.91Å; T373-V375 VanDerWaalsContact O-N 3.12Å |
| 374 | E | 32.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 116.3 | 168.4 | -84.1 | -176.8 | 153.7 | 0 | 0 | 109.7 | P372 K376 | P372-E374 PolarHBondContact O-N 2.85Å; E374-K376 PolarHBondContact O-N 2.67Å |
| 375 | V | 32.3 | Very low | 35.5 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 95.4 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | T373 E377 | T373-V375 PolarHBondContact O-N 2.91Å; T373-V375 VanDerWaalsContact O-N 3.12Å; V375-E377 PolarHBondContact O-N 3.08Å | ||
| 376 | K | 30.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 108.9 | 158 | -88.1 | -178.3 | 177.5 | 172.6 | 0 | 108 | E374 I378 | E374-K376 PolarHBondContact O-N 2.67Å; K376-I378 PolarHBondContact O-N 2.95Å; K376-I378 VanDerWaalsContact O-N 3.12Å | ||
| 377 | E | 29.8 | Very low | 35 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -60.8 | 111.3 | 168.6 | -68.1 | -175.7 | 168.1 | 0 | 0 | 109.4 | V375 | V375-E377 PolarHBondContact O-N 3.08Š| ||
| 378 | I | 34.3 | Very low | 35.1 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -96.1 | 111.9 | 168.6 | -54 | 176.2 | 0 | 0 | 0 | 106.6 | K376 I380 | K376-I378 PolarHBondContact O-N 2.95Å; K376-I378 VanDerWaalsContact O-N 3.12Å; I378-I380 HydrophobicContact CB-CG1 4.48Å; I378-I380 HydrophobicContact CG2-CD1 4.13Å; I378-I380 HydrophobicContact CG2-CG1 3.72Å; I378-I380 PolarHBondContact O-N 2.83Å | ||
| 379 | Y | 34.3 | Very low | 35.1 | Very low | 220 Ų | 220 | 148.8 Ų | 148.8 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 117.9 | 166.4 | -102.8 | -99.1 | 0 | 0 | 0 | 108.9 | ||||
| 380 | I | 33.4 | Very low | 35.6 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -122.3 | 114.8 | 172.5 | -52.7 | -179.9 | 0 | 0 | 0 | 107.9 | I378 | I378-I380 HydrophobicContact CB-CG1 4.48Å; I378-I380 HydrophobicContact CG2-CD1 4.13Å; I378-I380 HydrophobicContact CG2-CG1 3.72Å; I378-I380 PolarHBondContact O-N 2.83Å | ||
| 381 | E | 39.7 | Very low | 35.9 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 146.5 | 170.6 | -67.7 | -176.7 | 164.7 | 0 | 0 | 110.8 | ||
| 382 | P | 38.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.4 | -175.7 | 27.8 | -32.7 | 0 | 0 | 0 | 112.2 | ||
| 383 | P | 36.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 155.7 Ų | 155.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 143.4 | 175.1 | 32.8 | -31 | 0 | 0 | 0 | 111.2 | ||
| 384 | Q | 38.4 | Very low | 36.5 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.3 | 173 | -66.6 | -116.3 | -48.4 | 0 | 0 | 111.7 | ||
| 385 | E | 41 | Very low | 36.7 | Very low | 207 Ų | 207 | 154 Ų | 154 | 97% | 0.967 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 130.8 | 175 | -93.6 | 173.2 | 148.6 | 0 | 0 | 113.9 | ||
| 386 | G | 31.9 | Very low | 36.9 | Very low | 69 Ų | 69 | 156.8 Ų | 156.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 166.9 | 108.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 387 | N | 31.4 | Very low | 37.2 | Very low | 147 Ų | 147 | 157.2 Ų | 157.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 65.4 | 103.3 | 160.6 | -77.3 | -18.9 | 0 | 0 | 0 | 118.2 | ||||
| 388 | Q | 38.1 | Very low | 37.6 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 87.6 | 120.3 | 85.1 | -108 | -174.3 | 2.4 | 0 | 0 | 113.9 | |||||
| 389 | K | 45.3 | Very low | 37.6 | Very low | 180 Ų | 180 | 155 Ų | 155 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 52.3 | 85.7 | 152.7 | -76.5 | 177.2 | 168.4 | 176.6 | 0 | 115.8 | ||||
| 390 | H | 44.3 | Very low | 37.4 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -175.8 | 52.5 | 142.9 | -102.2 | -70 | 0 | 0 | 0 | 111.6 | ||||
| 391 | V | 40.7 | Very low | 37.4 | Very low | 113 Ų | 113 | 153 Ų | 153 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -146 | 46.7 | 171.7 | -160.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 392 | L | 36.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -128.2 | 5.9 | 169.5 | -107.2 | 132.4 | 0 | 0 | 0 | 114.6 | ||
| 393 | D | 37.6 | Very low | 36.8 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -106 | -3.5 | 172.6 | -78.2 | -27.3 | 0 | 0 | 0 | 114.2 | ||
| 394 | T | 39.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 152 Ų | 152 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -104.1 | 9.3 | -179 | -24.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 395 | I | 37.4 | Very low | 36.1 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -124.6 | 55.6 | 174 | -48.7 | 179.1 | 0 | 0 | 0 | 109.1 | ||
| 396 | K | 35.8 | Very low | 35.3 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -142.2 | 18 | 171.9 | -106 | -172.4 | -176.1 | 178 | 0 | 114.6 | ||
| 397 | M | 36 | Very low | 35.1 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -134.6 | 33 | 179.2 | -89.5 | -170.1 | 166.6 | 0 | 0 | 113.8 | ||
| 398 | V | 39.1 | Very low | 35 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -145.9 | 131.4 | 162.6 | -169.2 | 0 | 0 | 0 | 0 | 106.6 | ||
| 399 | C | 33.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 83.7 | 77.3 | -175.9 | -49.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 400 | G | 31.1 | Very low | 33.8 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -70.5 | 131.7 | 150 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 401 | W | 32.6 | Very low | 33 | Very low | 248 Ų | 248 | 151.4 Ų | 151.4 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | 163.7 | 145 | 145.9 | -93.2 | 70.3 | 0 | 0 | 0 | 106.9 | ||||
| 402 | P | 32.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -84 | 141.5 | -159.3 | 31.9 | -33.4 | 0 | 0 | 0 | 114.1 | V404 | P402-V404 PolarHBondContact O-N 2.76Š| ||
| 403 | I | 32.7 | Very low | 31.8 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 112.1 | 172.8 | -58.8 | 168.6 | 0 | 0 | 0 | 109.1 | K405 | I403-K405 HydrophobicContact CG2-CG 4.44Å; I403-K405 PolarHBondContact O-N 2.77Å | ||
| 404 | V | 29.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 153 Ų | 153 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -82.2 | 109.1 | 159.6 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | P402 V406 | P402-V404 PolarHBondContact O-N 2.76Å; V404-V406 HydrophobicContact CG1-CG2 4.46Å | ||
| 405 | K | 30.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 126 | 166.1 | -79.2 | 178.4 | 174 | 174.7 | 0 | 109.3 | I403 | I403-K405 HydrophobicContact CG2-CG 4.44Å; I403-K405 PolarHBondContact O-N 2.77Å | ||
| 406 | V | 25.7 | Very low | 31 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -130.7 | 124.2 | 146.7 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | V404 | V404-V406 HydrophobicContact CG1-CG2 4.46Š| ||
| 407 | Y | 28 | Very low | 30.6 | Very low | 174 Ų | 174 | 155 Ų | 155 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -80.9 | 156.6 | -179.7 | -103.5 | -102.5 | 0 | 0 | 0 | 112 | ||||
| 408 | D | 28.5 | Very low | 30.5 | Very low | 125 Ų | 125 | 156 Ų | 156 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | 73.2 | 111.1 | 151 | -64.9 | -26.3 | 0 | 0 | 0 | 120.8 | ||||
| 409 | R | 28.4 | Very low | 30.7 | Very low | 245 Ų | 245 | 155.2 Ų | 155.2 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -167.1 | 132.8 | 85.8 | -97.3 | -177.4 | -171.5 | -164.5 | 2.3 | 113.3 | |||||
| 410 | L | 29.6 | Very low | 30.4 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 71% | 0.707 | 78% | 0.783 | S | S | * | * | trans | -53.1 | 143.5 | 167.4 | -70.3 | 136.8 | 0 | 0 | 0 | 113.5 | ||||
| 411 | T | 27.3 | Very low | 30.5 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | -164 | 138.4 | 120.1 | 21.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 412 | F | 27.7 | Very low | 30.6 | Very low | 178 Ų | 178 | 154 Ų | 154 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -69.4 | 145 | -178.3 | -91.8 | -114.5 | 0 | 0 | 0 | 114.2 | ||||
| 413 | F | 24.7 | Very low | 31 | Very low | 182 Ų | 182 | 160 Ų | 160 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | 14.8 | 161.3 | 136.1 | -81.6 | -80.6 | 0 | 0 | 0 | 121.4 | ||||
| 414 | P | 40.7 | Very low | 31 | Very low | 102 Ų | 102 | 160.1 Ų | 160.1 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | cis | -146.8 | 167 | 14.5 | 32.9 | -7.8 | 0 | 0 | 0 | 119.7 | ||||
| 415 | T | 27.7 | Very low | 31 | Very low | 112 Ų | 112 | 161.7 Ų | 161.7 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | trans | 58.4 | 130.1 | 137.1 | 57.6 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 416 | R | 28.8 | Very low | 31.1 | Very low | 229 Ų | 229 | 161.6 Ų | 161.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | 68.3 | 123.5 | 136.7 | -71.9 | -177.4 | 173 | -179.1 | -1.3 | 119.3 | ||||
| 417 | I | 28.8 | Very low | 31.4 | Very low | 159 Ų | 159 | 163 Ų | 163 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | 170.5 | 118.6 | 104.9 | -77.5 | 156.4 | 0 | 0 | 0 | 108.3 | |||||
| 418 | F | 32.5 | Very low | 31.6 | Very low | 209 Ų | 209 | 162.3 Ų | 162.3 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -102.5 | 146.4 | 145.3 | -100.3 | -80.8 | 0 | 0 | 0 | 105.5 | ||||
| 419 | P | 43.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 164.8 Ų | 164.8 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | -156.5 | 178.8 | 71.5 | 38.6 | -16.6 | 0 | 0 | 0 | 117.5 | |||||
| 420 | G | 28.2 | Very low | 32.1 | Very low | 70 Ų | 70 | 159.1 Ų | 159.1 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | 108.9 | 106.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 421 | L | 31.3 | Very low | 32.2 | Very low | 171 Ų | 171 | 160.9 Ų | 160.9 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | cis | 77.8 | 118 | 44.2 | -143.5 | 118.7 | 0 | 0 | 0 | 114.8 | ||||
| 422 | Q | 36.5 | Very low | 32.7 | Very low | 177 Ų | 177 | 162 Ų | 162 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | 134.5 | 127.3 | 163.1 | -82.6 | 171.2 | -40.6 | 0 | 0 | 109.8 | ||||
| 423 | L | 41.4 | Very low | 33.1 | Very low | 236 Ų | 236 | 160.5 Ų | 160.5 | 100% | 1.236 | 84% | 0.836 | S | S | * | * | cis | -145.6 | 0 | 14.7 | -113.1 | 155.4 | 0 | 0 | 0 | 109.7 |
Retrieved 423 of 423 residues in 192.5 ms
(Link to these results)