| 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 | 29.8 | Very low | 30.6 | Very low | 243 Ų | 243 | 160.7 Ų | 160.7 | 100% | 1.197 | 82% | 0.824 | S | S | * | * | 0 | 158.9 | 0 | -129.9 | 162.2 | 176.1 | 0 | 0 | 108 | |||||
| 2 | F | 32.6 | Very low | 30.4 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -63.4 | 162.1 | -175.5 | -54.4 | -93.4 | 0 | 0 | 0 | 113.3 | ||||
| 3 | G | 32.8 | Very low | 30.4 | Very low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | cis | -144.9 | -128.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | I | 36.8 | Very low | 30.2 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | cis | -153 | 176.1 | -3.4 | -56.9 | 179.4 | 0 | 0 | 0 | 107.7 | ||||
| 5 | H | 33.7 | Very low | 30 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -55.9 | 170.3 | 170.4 | -74.7 | -141.9 | 0 | 0 | 0 | 114.8 | ||||
| 6 | E | 34.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | cis | -164.3 | -170.6 | 4.3 | -128.1 | 176 | 93 | 0 | 0 | 110.2 | ||||
| 7 | S | 27.2 | Very low | 29.9 | Very low | 80 Ų | 80 | 156.3 Ų | 156.3 | 56% | 0.559 | 83% | 0.831 | S | S | * | * | cis | -166.6 | -173.1 | -0.6 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | I | 29.1 | Very low | 29.6 | Very low | 165 Ų | 165 | 157.3 Ų | 157.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | 80 | 163.7 | 155.6 | -70.3 | 167.6 | 0 | 0 | 0 | 118.8 | ||||
| 9 | Q | 27.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -130.3 | 173.5 | -149.5 | -51.2 | -177.6 | -31.5 | 0 | 0 | 117.6 | ||||
| 10 | R | 27.5 | Very low | 30.5 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | 86.2 | 124.2 | 148.3 | -69.2 | 179 | -176.4 | -150.1 | -1.6 | 121.1 | ||||
| 11 | S | 25.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | -176.6 | 163.9 | 107.5 | -163.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 12 | G | 27.5 | Very low | 30.4 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 136.9 | 138.5 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 13 | S | 31 | Very low | 30.3 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 136.2 | -168.3 | 59 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 14 | S | 26.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 32.8 | 127.5 | 144.2 | -167.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 15 | M | 28 | Very low | 29.9 | Very low | 191 Ų | 191 | 146 Ų | 146 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | trans | -156.9 | 171.6 | 133.9 | -119.5 | 171.7 | -79.2 | 0 | 0 | 112.8 | ||||
| 16 | K | 31.2 | Very low | 30.3 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -97.9 | 156.9 | -168.9 | -68.5 | 177.4 | 167.2 | -174 | 0 | 114.1 | ||||
| 17 | E | 26 | Very low | 30.4 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | -162.1 | 163.7 | 130 | -124.9 | 173.2 | -171.3 | 0 | 0 | 113.9 | |||||
| 18 | E | 25.2 | Very low | 31 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -168.5 | 164.7 | -176.5 | -148.7 | -140.5 | 136.9 | 0 | 0 | 108.3 | ||||
| 19 | P | 51.3 | Low | 31.2 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 62% | 0.623 | 81% | 0.813 | S | S | * | * | cis | -116.7 | 174.2 | -39.5 | 31.9 | -17.1 | 0 | 0 | 0 | 112.8 | ||||
| 20 | M | 26.1 | Very low | 31.7 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -158 | 104.5 | 143.2 | -111.4 | -159.8 | -176.6 | 0 | 0 | 116.4 | ||||
| 21 | V | 28.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | 32.9 | 113.8 | 128.2 | -174.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 22 | A | 28.8 | Very low | 32.8 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 60.2 | 132.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 23 | G | 29.9 | Very low | 33.4 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 172.6 | 111.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 24 | M | 30.7 | Very low | 34.3 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 50.8 | 103 | 154.8 | -62.7 | 173.1 | 166 | 0 | 0 | 120 | ||||
| 25 | N | 32.4 | Very low | 36.6 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | -176.6 | 60.2 | 116.9 | -97.6 | -49.2 | 0 | 0 | 0 | 113.8 | V27 | N25-V27 PolarHBondContact O-N 3.05Š| |||
| 26 | A | 40.1 | Very low | 39.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 35.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 27 | V | 37.3 | Very low | 42 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 5.7 | -165.7 | -163.4 | 0 | 0 | 0 | 0 | 114.4 | N25 | N25-V27 PolarHBondContact O-N 3.05Š|
| 28 | R | 39.3 | Very low | 45 | Very low | 233 Ų | 233 | 123 Ų | 123 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -133.6 | 16.5 | 178.3 | -72.7 | -165.1 | 179.1 | -125.9 | 1 | 116.6 | ||
| 29 | T | 34.2 | Very low | 47.8 | Very low | 102 Ų | 102 | 115.5 Ų | 115.5 | 63% | 0.626 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -88.5 | 2.2 | -176.5 | -28.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 30 | W | 38.1 | Very low | 49.6 | Very low | 220 Ų | 220 | 116.9 Ų | 116.9 | 83% | 0.833 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -96.1 | 6.1 | -172.5 | 72.4 | -68.7 | 0 | 0 | 0 | 115.5 | ||
| 31 | M | 34.6 | Very low | 52.5 | Low | 164 Ų | 164 | 110.8 Ų | 110.8 | 81% | 0.808 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -132 | 28.3 | 174.9 | -59.4 | -167.3 | 89.6 | 0 | 0 | 113.3 | ||
| 32 | Q | 40.5 | Very low | 55.3 | Low | 155 Ų | 155 | 104.7 Ų | 104.7 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -89.5 | 129.9 | 160.2 | -74.2 | 177.5 | -44.6 | 0 | 0 | 108.3 | ||
| 33 | G | 40 | Very low | 58 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | trans | -60.9 | 144.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G35 | G33-G35 PolarHBondContact O-N 2.79Š| ||
| 34 | A | 51.5 | Low | 60.7 | Low | 74 Ų | 74 | 105.7 Ų | 105.7 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | trans | -52.5 | 109.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 35 | G | 74.3 | Confident | 63.2 | Low | 54 Ų | 54 | 101.4 Ų | 101.4 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | G33 L37 | G33-G35 PolarHBondContact O-N 2.79Å; G35-L37 PolarHBondContact O-N 3.44Å |
| 36 | V | 84.8 | Confident | 65.8 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.9 | 168.1 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | R121 E123 | V36-R121 HydrophobicContact CB-CB 4.47Å; V36-R121 HydrophobicContact CG1-CB 4.45Å; V36-R121 HydrophobicContact CG2-CB 4.12Å; V36-E123 HydrophobicContact CG1-CB 3.89Å |
| 37 | L | 88.5 | Confident | 68.1 | Low | 62 Ų | 62 | 91 Ų | 91 | 33% | 0.325 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 156 | 174.8 | -57.9 | -179.8 | 0 | 0 | 0 | 110.2 | G35 A42 I120 R121 T122 E123 | G35-L37 PolarHBondContact O-N 3.44Å; L37-A42 HydrophobicContact CB-CB 4.5Å; L37-I120 HydrophobicContact CD1-CG2 3.78Å; L37-I120 HydrophobicContact CG-CG2 4.45Å; L37-R121 PolarHBondContact N-O 3.38Å; L37-T122 CarbonylContact O-C 3.55Å; L37-T122 WeakPolarHBondContact O-CA 3.24Å; L37-E123 PolarHBondContact O-N 2.82Å |
| 38 | D | 88.3 | Confident | 70.7 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 155.3 | 163.5 | 72.6 | -80.1 | 0 | 0 | 0 | 110.7 | N40 T41 A42 | D38-N40 PolarHBondContact O-N 2.69Å; D38-N40 WeakPolarHBondContact OD2-CA 3.29Å; D38-N40 VanDerWaalsContact OD2-CB 3.28Å; D38-N40 WeakPolarHBondContact OD2-CB 2.96Å; D38-N40 PolarHBondContact OD2-N 2.98Å; D38-T41 PolarHBondContact O-N 2.94Å; D38-T41 WeakPolarHBondContact OD1-CB 3.5Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; D38-T41 PolarHBondContact OD2-N 2.84Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.08Å |
| 39 | A | 85.1 | Confident | 73.3 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.8 | -27.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A43 E123 | A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.94Å; A39-E123 PolarHBondContact N-O 2.8Å |
| 40 | N | 87.4 | Confident | 76.2 | Confident | 125 Ų | 125 | 72 Ų | 72 | 67% | 0.668 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -77.8 | -43.4 | -179.3 | -60.2 | -58 | 0 | 0 | 0 | 111.3 | D38 A43 Q44 | D38-N40 PolarHBondContact O-N 2.69Å; D38-N40 WeakPolarHBondContact OD2-CA 3.29Å; D38-N40 VanDerWaalsContact OD2-CB 3.28Å; D38-N40 WeakPolarHBondContact OD2-CB 2.96Å; D38-N40 PolarHBondContact OD2-N 2.98Å; N40-A43 PolarHBondContact O-N 2.81Å; N40-Q44 WeakPolarHBondContact O-CG 3.32Å; N40-Q44 PolarHBondContact O-N 2.93Å |
| 41 | T | 88.9 | Confident | 78.9 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 173 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | D38 A43 Q44 S45 | D38-T41 PolarHBondContact O-N 2.94Å; D38-T41 WeakPolarHBondContact OD1-CB 3.5Å; D38-T41 PolarHBondContact OD1-OG1 2.92Å; D38-T41 PolarHBondContact OD2-N 2.84Å; D38-T41 PolarHBondContact OD2-OG1 2.87Å; T41-A43 VanDerWaalsContact C-N 3.34Å; T41-A43 PolarHBondContact O-N 2.95Å; T41-Q44 WeakPolarHBondContact O-CB 3.33Å; T41-Q44 PolarHBondContact O-N 2.88Å; T41-S45 PolarHBondContact O-N 2.86Å |
| 42 | A | 86.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L37 D38 Q44 S45 G46 V47 T122 | L37-A42 HydrophobicContact CB-CB 4.5Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 3.08Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.06Å; A42-S45 CarbonylContact O-C 3.52Å; A42-S45 WeakPolarHBondContact O-CA 3.3Å; A42-S45 WeakPolarHBondContact O-CB 3.21Å; A42-S45 PolarHBondContact O-N 2.73Å; A42-G46 PolarHBondContact O-N 2.94Å; A42-V47 CarbonylContact C-O 3.58Å; A42-V47 HydrophobicContact CB-CB 4.42Å; A42-V47 PolarHBondContact O-N 2.85Å; A42-V47 VanDerWaalsContact O-O 3.08Å; A42-T122 HydrophobicContact CB-CG2 3.47Å; A42-T122 VanDerWaalsContact CB-CG2 3.47Å |
| 43 | A | 86.6 | Confident | 84.6 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -27.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A39 N40 T41 S45 G46 V47 | A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.94Å; N40-A43 PolarHBondContact O-N 2.81Å; T41-A43 VanDerWaalsContact C-N 3.34Å; T41-A43 PolarHBondContact O-N 2.95Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-G46 PolarHBondContact O-N 3.44Å; A43-G46 VanDerWaalsContact O-N 3.12Å; A43-V47 VanDerWaalsContact CA-O 3.29Å; A43-V47 WeakPolarHBondContact CA-O 3.37Å; A43-V47 PolarHBondContact N-O 2.91Å; A43-V47 VanDerWaalsContact N-O 3.16Å |
| 44 | Q | 86.6 | Confident | 87.4 | Confident | 161 Ų | 161 | 54.8 Ų | 54.8 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.5 | -35.3 | 170.7 | -66 | 171.7 | 26.9 | 0 | 0 | 111.7 | N40 T41 A42 G46 | N40-Q44 WeakPolarHBondContact O-CG 3.32Å; N40-Q44 PolarHBondContact O-N 2.93Å; T41-Q44 WeakPolarHBondContact O-CB 3.33Å; T41-Q44 PolarHBondContact O-N 2.88Å; A42-Q44 VanDerWaalsContact C-N 3.28Å; A42-Q44 PolarHBondContact O-N 3.06Å; Q44-G46 PolarHBondContact O-N 3.02Å |
| 45 | S | 83.5 | Confident | 89.6 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 63% | 0.629 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.9 | 171 | -60.3 | 0 | 0 | 0 | 0 | 113.6 | T41 A42 A43 V47 | T41-S45 PolarHBondContact O-N 2.86Å; A42-S45 CarbonylContact O-C 3.52Å; A42-S45 WeakPolarHBondContact O-CA 3.3Å; A42-S45 WeakPolarHBondContact O-CB 3.21Å; A42-S45 PolarHBondContact O-N 2.73Å; A43-S45 VanDerWaalsContact C-N 3.33Å; S45-V47 VanDerWaalsContact C-N 3.25Å; S45-V47 PolarHBondContact O-N 2.92Å |
| 46 | G | 85.9 | Confident | 90.7 | Very high | 25 Ų | 25 | 58 Ų | 58 | 26% | 0.258 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | A42 A43 Q44 Q78 | A42-G46 PolarHBondContact O-N 2.94Å; A43-G46 PolarHBondContact O-N 3.44Å; A43-G46 VanDerWaalsContact O-N 3.12Å; Q44-G46 PolarHBondContact O-N 3.02Å; G46-Q78 PolarHBondContact O-NE2 2.86Å |
| 47 | V | 89.3 | Confident | 91.3 | Very high | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | trans | -100.5 | 127.8 | -179.2 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | A42 A43 S45 Y116 N118 I120 | A42-V47 CarbonylContact C-O 3.58Å; A42-V47 HydrophobicContact CB-CB 4.42Å; A42-V47 PolarHBondContact O-N 2.85Å; A42-V47 VanDerWaalsContact O-O 3.08Å; A43-V47 VanDerWaalsContact CA-O 3.29Å; A43-V47 WeakPolarHBondContact CA-O 3.37Å; A43-V47 PolarHBondContact N-O 2.91Å; A43-V47 VanDerWaalsContact N-O 3.16Å; S45-V47 VanDerWaalsContact C-N 3.25Å; S45-V47 PolarHBondContact O-N 2.92Å; V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.7Å; V47-Y116 HydrophobicContact CG1-CE1 3.9Å; V47-Y116 HydrophobicContact CG1-CE2 3.97Å; V47-Y116 HydrophobicContact CG1-CG 3.55Å; V47-N118 WeakPolarHBondContact CG2-ND2 3.42Å; V47-I120 HydrophobicContact CG2-CD1 4.29Å | ||
| 48 | G | 91.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 168.7 | 162.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D76 R77 Y116 | G48-D76 WeakPolarHBondContact O-CA 3.24Å; G48-R77 PolarHBondContact O-N 3.03Å; G48-Y116 WeakPolarHBondContact CA-OH 3.28Å |
| 49 | L | 94.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.6 | 173.4 | -62.2 | -176.6 | 0 | 0 | 0 | 110.9 | L74 V82 L114 Y116 Q124 L126 T217 L226 | L49-L74 HydrophobicContact CD1-CD1 4.2Å; L49-L74 HydrophobicContact CD1-CD2 4.42Å; L49-L74 HydrophobicContact CD2-CB 3.98Å; L49-L74 HydrophobicContact CD2-CD1 4.36Å; L49-V82 HydrophobicContact CD2-CG2 4.1Å; L49-L114 HydrophobicContact CD1-CD1 4.02Å; L49-L114 HydrophobicContact CD2-CD1 3.92Å; L49-L114 HydrophobicContact CG-CD1 3.94Å; L49-Y116 PolarHBondContact N-OH 3.43Å; L49-Q124 HydrophobicContact CD1-CG 3.98Å; L49-L126 HydrophobicContact CD1-CD1 4.46Å; L49-T217 HydrophobicContact CB-CG2 4.43Å; L49-T217 HydrophobicContact CD1-CG2 4.41Å; L49-L226 HydrophobicContact CB-CD1 4.22Å; L49-L226 HydrophobicContact CB-CD2 3.85Å; L49-L226 HydrophobicContact CD1-CD1 3.83Å |
| 50 | A | 93.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 26% | 0.256 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -36.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y75 R77 H224 | A50-Y75 PolarHBondContact N-O 2.77Å; A50-R77 HydrophobicContact CB-CB 4.39Å; A50-R77 HydrophobicContact CB-CG 3.92Å; A50-H224 PolarHBondContact O-CE1 3.02Å |
| 51 | R | 95.3 | Very high | 93.1 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 48% | 0.479 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.6 | 176.1 | 66.1 | 177.6 | -177.4 | -159.5 | -5.9 | 111.4 | Y75 G79 L226 | R51-Y75 HydrophobicContact CG-CD2 3.98Å; R51-Y75 HydrophobicContact CG-CG 4.19Å; R51-Y75 PolarHBondContact N-O 3.47Å; R51-Y75 PolarHBondContact O-N 3.49Å; R51-G79 PolarHBondContact NH2-O 3.43Å; R51-L226 WeakPolarHBondContact CA-O 3.5Å |
| 52 | A | 97.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 161.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L72 A73 L74 L226 A227 | A52-L72 HydrophobicContact CB-CD1 4.5Å; A52-A73 CarbonylContact C-O 3.06Å; A52-A73 VanDerWaalsContact CA-O 3.24Å; A52-A73 WeakPolarHBondContact CA-O 3.26Å; A52-L74 HydrophobicContact CB-CD2 3.79Å; A52-L226 HydrophobicContact CB-CB 4.03Å; A52-L226 PolarHBondContact N-O 3.04Å; A52-A227 HydrophobicContact CB-CB 3.89Å |
| 53 | H | 97.6 | Very high | 94 | Very high | 100 Ų | 100 | 55.7 Ų | 55.7 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.2 | 174 | -177.7 | -113.5 | 0 | 0 | 0 | 110.7 | E55 L72 A73 Y75 | H53-E55 IonicContact CE1-OE1 3.05Å; H53-E55 IonicContact CG-OE1 2.78Å; H53-E55 IonicContact ND1-OE1 2.64Å; H53-E55 PolarHBondContact ND1-OE1 3.3Å; H53-E55 IonicContact ND1-OE2 3.44Å; H53-E55 PolarHBondContact O-N 3.36Å; H53-E55 VanDerWaalsContact O-N 3.1Å; H53-L72 CarbonylContact O-C 3.56Å; H53-L72 VanDerWaalsContact O-CA 3.24Å; H53-L72 WeakPolarHBondContact O-CA 3.35Å; H53-A73 PolarHBondContact N-O 2.59Å; H53-A73 PolarHBondContact O-N 3.39Å; H53-Y75 HydrophobicContact CB-CE2 3.88Å |
| 54 | F | 98.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 75.3 | 179.9 | -79.9 | -88.3 | 0 | 0 | 0 | 111.2 | K56 Q57 F70 V71 L72 V213 V215 A227 | F54-K56 PolarHBondContact O-N 3.04Å; F54-Q57 HydrophobicContact CB-CG 4.27Å; F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.03Å; F54-F70 HydrophobicContact CD1-CG 4.33Å; F54-F70 HydrophobicContact CE1-CB 4.16Å; F54-F70 AromaticContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CE2 4.07Å; F54-F70 AromaticContact CE1-CG 3.9Å; F54-F70 HydrophobicContact CE1-CG 3.9Å; F54-V71 CarbonylContact C-O 3.53Å; F54-V71 WeakPolarHBondContact CA-O 3.46Å; F54-L72 HydrophobicContact CD1-CD2 3.58Å; F54-L72 HydrophobicContact CD2-CD2 4.16Å; F54-L72 HydrophobicContact CE1-CD2 3.59Å; F54-L72 HydrophobicContact CE2-CD2 4.16Å; F54-L72 HydrophobicContact CG-CD2 3.88Å; F54-L72 HydrophobicContact CZ-CD2 3.88Å; F54-V213 HydrophobicContact CE1-CB 4.45Å; F54-V213 HydrophobicContact CZ-CB 4.18Å; F54-V213 HydrophobicContact CZ-CG1 4.25Å; F54-V215 HydrophobicContact CE2-CG2 4.37Å; F54-V215 HydrophobicContact CZ-CG2 3.85Å; F54-A227 HydrophobicContact CD2-CB 3.93Å; F54-A227 HydrophobicContact CE2-CB 3.58Å |
| 55 | E | 97.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | -31.9 | 171.4 | -59.7 | -53.6 | 144 | 0 | 0 | 112.7 | H53 V71 A73 F187 | H53-E55 IonicContact CE1-OE1 3.05Å; H53-E55 IonicContact CG-OE1 2.78Å; H53-E55 IonicContact ND1-OE1 2.64Å; H53-E55 PolarHBondContact ND1-OE1 3.3Å; H53-E55 IonicContact ND1-OE2 3.44Å; H53-E55 PolarHBondContact O-N 3.36Å; H53-E55 VanDerWaalsContact O-N 3.1Å; E55-V71 HydrophobicContact CB-CB 4.37Å; E55-V71 HydrophobicContact CB-CG1 4.19Å; E55-V71 PolarHBondContact N-O 2.9Å; E55-V71 VanDerWaalsContact N-O 3.09Å; E55-A73 HydrophobicContact CG-CB 3.83Å; E55-A73 WeakPolarHBondContact OE1-CB 3.41Å; E55-F187 HydrophobicContact CG-CD1 3.82Å; E55-F187 HydrophobicContact CG-CE1 3.8Å |
| 56 | K | 97.6 | Very high | 95.3 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 108.6 | 164.6 | -176.2 | 166.3 | -176.1 | 159.2 | 0 | 110.3 | F54 F70 V71 | F54-K56 PolarHBondContact O-N 3.04Å; K56-F70 CarbonylContact O-C 3.52Å; K56-F70 WeakPolarHBondContact O-CA 3.48Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; K56-V71 HydrophobicContact CB-CB 3.76Å; K56-V71 HydrophobicContact CB-CG2 3.84Å; K56-V71 HydrophobicContact CD-CG2 4.48Å; K56-V71 PolarHBondContact N-O 2.9Å; K56-V71 VanDerWaalsContact N-O 3.17Å; K56-V71 PolarHBondContact O-N 3.12Å |
| 57 | Q | 98.2 | Very high | 95.8 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 149.2 | 171.4 | -66.8 | -76.9 | 16.5 | 0 | 0 | 112.1 | F54 D230 | F54-Q57 HydrophobicContact CB-CG 4.27Å; Q57-D230 HydrophobicContact CB-CB 4.45Å; Q57-D230 VanDerWaalsContact CD-CG 3.45Å; Q57-D230 HydrophobicContact CG-CB 4.28Å; Q57-D230 WeakPolarHBondContact CG-OD2 3.41Å; Q57-D230 PolarHBondContact NE2-OD1 3.34Å; Q57-D230 PolarHBondContact NE2-OD2 2.85Å |
| 58 | P | 97.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 159.1 | 169.5 | 30.5 | -34.6 | 0 | 0 | 0 | 111 | S60 F68 F70 V213 S229 M232 | P58-S60 PolarHBondContact O-N 2.97Å; P58-F68 HydrophobicContact CB-CD2 4.01Å; P58-F68 HydrophobicContact CB-CE2 4.27Å; P58-F70 HydrophobicContact CB-CB 4.36Å; P58-V213 HydrophobicContact CB-CG2 4.3Å; P58-V213 HydrophobicContact CG-CG2 3.94Å; P58-S229 WeakPolarHBondContact CG-OG 3.4Å; P58-M232 HydrophobicContact CB-SD 4.48Å |
| 59 | P | 97.4 | Very high | 96.6 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 128.7 | -176.5 | 27.1 | -34.9 | 0 | 0 | 0 | 112 | N61 L62 F68 M232 | P59-N61 PolarHBondContact O-N 3.5Å; P59-L62 HydrophobicContact CG-CB 4.4Å; P59-L62 HydrophobicContact CG-CD1 4.34Å; P59-F68 HydrophobicContact CG-CB 3.8Å; P59-M232 VanDerWaalsContact O-CG 3.28Å; P59-M232 WeakPolarHBondContact O-CG 3.35Å |
| 60 | S | 96.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -60.9 | -18.9 | -178 | 61.7 | 0 | 0 | 0 | 0 | 114.6 | P58 R210 N231 F233 | P58-S60 PolarHBondContact O-N 2.97Å; S60-R210 PolarHBondContact O-NH1 2.7Å; S60-N231 WeakPolarHBondContact CA-O 3.43Å; S60-F233 PolarHBondContact O-N 3Å |
| 61 | N | 94.6 | Very high | 97 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 131.3 | 168.8 | -54.6 | -89.4 | 0 | 0 | 0 | 108.8 | P59 F233 H240 | P59-N61 PolarHBondContact O-N 3.5Å; N61-F233 CarbonylContact C-O 3.5Å; N61-F233 WeakPolarHBondContact CA-O 3.5Å; N61-H240 PolarHBondContact OD1-NE2 3.32Å |
| 62 | L | 96.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132 | -174.8 | 176.3 | 61.8 | 0 | 0 | 0 | 111.1 | P59 N66 F68 C194 M232 F233 V234 H235 | P59-L62 HydrophobicContact CG-CB 4.4Å; P59-L62 HydrophobicContact CG-CD1 4.34Å; L62-N66 HydrophobicContact CD1-CB 4.3Å; L62-F68 HydrophobicContact CD1-CB 3.94Å; L62-F68 HydrophobicContact CD2-CB 3.9Å; L62-F68 HydrophobicContact CD2-CD1 3.46Å; L62-F68 VanDerWaalsContact CD2-CD1 3.46Å; L62-F68 HydrophobicContact CD2-CE1 4.16Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; L62-C194 HydrophobicContact CD2-CB 4.19Å; L62-M232 HydrophobicContact CB-CG 4.13Å; L62-M232 HydrophobicContact CB-SD 3.95Å; L62-M232 HydrophobicContact CD2-SD 3.63Å; L62-M232 HydrophobicContact CG-SD 4.43Å; L62-F233 PolarHBondContact N-O 3.03Å; L62-V234 HydrophobicContact CB-CG2 4.4Å; L62-V234 HydrophobicContact CD2-CG2 4.35Å; L62-V234 CarbonylContact O-C 3.49Å; L62-V234 WeakPolarHBondContact O-CA 3.42Å; L62-H235 PolarHBondContact O-CD2 2.72Å; L62-H235 VanDerWaalsContact O-CD2 3.29Å; L62-H235 PolarHBondContact O-N 2.93Å; L62-H235 PolarHBondContact O-NE2 2.83Å |
| 63 | R | 96.6 | Very high | 97.2 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.4 | 166.6 | -164.2 | -173.7 | 176.2 | -154.9 | -7.1 | 110.2 | S65 N66 H235 | R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.45Å; R63-S65 WeakPolarHBondContact CG-OG 3.48Å; R63-S65 PolarHBondContact NE-OG 2.91Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 3.3Å; R63-N66 WeakPolarHBondContact O-CB 3.43Å; R63-N66 PolarHBondContact O-N 3.45Å; R63-H235 CarbonylContact C-O 3.53Å; R63-H235 WeakPolarHBondContact CA-O 3.18Å |
| 64 | K | 94.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -24.6 | 179.4 | 162.3 | 170.8 | 164.8 | 154.7 | 0 | 115.5 | N66 K193 N195 N197 V234 H235 | K64-N66 VanDerWaalsContact C-N 3.31Å; K64-K193 WeakPolarHBondContact O-CE 3.37Å; K64-N195 WeakPolarHBondContact CE-O 3.35Å; K64-N195 WeakPolarHBondContact CE-OD1 3.28Å; K64-N195 PolarHBondContact NZ-O 3.04Å; K64-N195 PolarHBondContact NZ-OD1 2.81Å; K64-N197 WeakPolarHBondContact CD-OD1 3.48Å; K64-V234 HydrophobicContact CB-CG1 4.09Å; K64-H235 PolarHBondContact N-O 3.31Å |
| 65 | S | 93.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 33% | 0.329 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26.2 | 175.7 | 15.9 | 0 | 0 | 0 | 0 | 113.5 | R63 K193 | R63-S65 VanDerWaalsContact CD-OG 3.27Å; R63-S65 WeakPolarHBondContact CD-OG 3.45Å; R63-S65 WeakPolarHBondContact CG-OG 3.48Å; R63-S65 PolarHBondContact NE-OG 2.91Å; R63-S65 VanDerWaalsContact NE-OG 3.11Å; R63-S65 PolarHBondContact O-N 3.3Å; S65-K193 WeakPolarHBondContact O-CE 3.27Å; S65-K193 PolarHBondContact O-NZ 2.74Å |
| 66 | N | 96.5 | Very high | 97 | Very high | 80 Ų | 80 | 40.4 Ų | 40.4 | 43% | 0.428 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -94.4 | 158.6 | -168.3 | -59 | 20.1 | 0 | 0 | 0 | 111.6 | L62 R63 K64 | L62-N66 HydrophobicContact CD1-CB 4.3Å; R63-N66 WeakPolarHBondContact O-CB 3.43Å; R63-N66 PolarHBondContact O-N 3.45Å; K64-N66 VanDerWaalsContact C-N 3.31Å |
| 67 | F | 97.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | trans | -77.8 | 156.6 | 161.8 | -70.1 | -91.7 | 0 | 0 | 0 | 110.7 | H157 T176 L192 K193 | F67-H157 HydrophobicContact CE1-CB 4.02Å; F67-H157 HydrophobicContact CZ-CB 3.93Å; F67-H157 AromaticContact CZ-ND1 3.97Å; F67-T176 HydrophobicContact CB-CG2 4.15Å; F67-T176 HydrophobicContact CD1-CG2 4.33Å; F67-T176 HydrophobicContact CD2-CG2 4.37Å; F67-T176 HydrophobicContact CG-CG2 4.02Å; F67-L192 CarbonylContact C-O 3.4Å; F67-L192 VanDerWaalsContact CA-O 3.26Å; F67-L192 WeakPolarHBondContact CA-O 3.19Å; F67-L192 WeakPolarHBondContact CD1-O 3.43Å; F67-K193 HydrophobicContact CD1-CB 3.77Å; F67-K193 HydrophobicContact CE1-CB 3.76Å; F67-K193 HydrophobicContact CE1-CD 4.39Å; F67-K193 HydrophobicContact CE2-CD 4.23Å; F67-K193 HydrophobicContact CG-CB 4.34Å; F67-K193 HydrophobicContact CZ-CB 4.33Å; F67-K193 HydrophobicContact CZ-CD 4.13Å | ||
| 68 | F | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.8 | 168.7 | 72.8 | -79.1 | 0 | 0 | 0 | 109.6 | P58 P59 L62 F70 L154 L192 C194 V213 M232 | P58-F68 HydrophobicContact CB-CD2 4.01Å; P58-F68 HydrophobicContact CB-CE2 4.27Å; P59-F68 HydrophobicContact CG-CB 3.8Å; L62-F68 HydrophobicContact CD1-CB 3.94Å; L62-F68 HydrophobicContact CD2-CB 3.9Å; L62-F68 HydrophobicContact CD2-CD1 3.46Å; L62-F68 VanDerWaalsContact CD2-CD1 3.46Å; L62-F68 HydrophobicContact CD2-CE1 4.16Å; L62-F68 HydrophobicContact CD2-CG 3.83Å; F68-F70 HydrophobicContact CD2-CD1 4.4Å; F68-F70 HydrophobicContact CE2-CD1 4.03Å; F68-F70 HydrophobicContact CE2-CE1 4.21Å; F68-L154 HydrophobicContact CE1-CD2 4.15Å; F68-L154 HydrophobicContact CZ-CD2 3.99Å; F68-L192 HydrophobicContact CD1-CB 4.1Å; F68-L192 WeakPolarHBondContact CD1-O 3.3Å; F68-L192 HydrophobicContact CE1-CB 3.52Å; F68-L192 HydrophobicContact CE2-CB 4.28Å; F68-L192 HydrophobicContact CZ-CB 3.63Å; F68-L192 HydrophobicContact CZ-CD1 4.08Å; F68-L192 HydrophobicContact CZ-CG 4.45Å; F68-L192 PolarHBondContact N-O 2.88Å; F68-L192 PolarHBondContact O-N 3.06Å; F68-C194 HydrophobicContact CE1-CB 4.1Å; F68-V213 HydrophobicContact CE2-CG2 4.12Å; F68-M232 HydrophobicContact CD2-CE 4.49Å; F68-M232 HydrophobicContact CD2-SD 4.18Å; F68-M232 HydrophobicContact CE1-CE 4.43Å; F68-M232 HydrophobicContact CE2-CE 4.01Å; F68-M232 HydrophobicContact CE2-SD 4.29Å; F68-M232 HydrophobicContact CG-SD 4.37Å; F68-M232 HydrophobicContact CZ-CE 3.97Å |
| 69 | H | 98.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 38% | 0.375 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.7 | 175.3 | 62.2 | -90.2 | 0 | 0 | 0 | 110.6 | F190 F191 | H69-F190 WeakPolarHBondContact CA-O 3.12Å; H69-F190 WeakPolarHBondContact CB-O 3.32Å; H69-F191 HydrophobicContact CB-CD1 4.11Å; H69-F191 HydrophobicContact CB-CE1 4.44Å |
| 70 | F | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 162.3 | 170.7 | 58.2 | -92.9 | 0 | 0 | 0 | 108.1 | F54 K56 P58 F68 L72 V128 K189 F190 L192 V213 | F54-F70 HydrophobicContact CD1-CB 4.14Å; F54-F70 HydrophobicContact CD1-CD2 4.03Å; F54-F70 HydrophobicContact CD1-CG 4.33Å; F54-F70 HydrophobicContact CE1-CB 4.16Å; F54-F70 AromaticContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CD2 3.55Å; F54-F70 HydrophobicContact CE1-CE2 4.07Å; F54-F70 AromaticContact CE1-CG 3.9Å; F54-F70 HydrophobicContact CE1-CG 3.9Å; K56-F70 CarbonylContact O-C 3.52Å; K56-F70 WeakPolarHBondContact O-CA 3.48Å; K56-F70 WeakPolarHBondContact O-CB 3.42Å; P58-F70 HydrophobicContact CB-CB 4.36Å; F68-F70 HydrophobicContact CD2-CD1 4.4Å; F68-F70 HydrophobicContact CE2-CD1 4.03Å; F68-F70 HydrophobicContact CE2-CE1 4.21Å; F70-L72 HydrophobicContact CD2-CD2 3.92Å; F70-L72 HydrophobicContact CD2-CG 3.97Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.07Å; F70-L72 HydrophobicContact CE2-CG 3.88Å; F70-V128 HydrophobicContact CE1-CG1 4.33Å; F70-V128 HydrophobicContact CZ-CG1 3.89Å; F70-V128 HydrophobicContact CZ-CG2 4.31Å; F70-K189 WeakPolarHBondContact O-CA 3.3Å; F70-F190 HydrophobicContact CD1-CB 4.39Å; F70-F190 HydrophobicContact CD2-CB 4.41Å; F70-F190 AromaticContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CG 4.45Å; F70-F190 HydrophobicContact CE1-CB 3.86Å; F70-F190 HydrophobicContact CE1-CG 4.4Å; F70-F190 HydrophobicContact CE2-CB 3.9Å; F70-F190 AromaticContact CE2-CD2 3.28Å; F70-F190 HydrophobicContact CE2-CD2 3.28Å; F70-F190 AromaticContact CE2-CE2 3.92Å; F70-F190 HydrophobicContact CE2-CE2 3.92Å; F70-F190 AromaticContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CZ-CB 3.59Å; F70-F190 HydrophobicContact CZ-CD1 4.28Å; F70-F190 AromaticContact CZ-CD2 3.78Å; F70-F190 HydrophobicContact CZ-CD2 3.78Å; F70-F190 AromaticContact CZ-CG 3.62Å; F70-F190 HydrophobicContact CZ-CG 3.62Å; F70-F190 PolarHBondContact O-N 3.43Å; F70-F190 VanDerWaalsContact O-N 3.14Å; F70-L192 HydrophobicContact CE1-CD1 3.93Å; F70-L192 HydrophobicContact CZ-CD1 4.46Å; F70-V213 HydrophobicContact CE1-CG1 3.9Å; F70-V213 HydrophobicContact CE1-CG2 4.48Å; F70-V213 HydrophobicContact CZ-CG1 3.93Å |
| 71 | V | 98.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | F54 E55 K56 F187 L188 K189 | F54-V71 CarbonylContact C-O 3.53Å; F54-V71 WeakPolarHBondContact CA-O 3.46Å; E55-V71 HydrophobicContact CB-CB 4.37Å; E55-V71 HydrophobicContact CB-CG1 4.19Å; E55-V71 PolarHBondContact N-O 2.9Å; E55-V71 VanDerWaalsContact N-O 3.09Å; K56-V71 HydrophobicContact CB-CB 3.76Å; K56-V71 HydrophobicContact CB-CG2 3.84Å; K56-V71 HydrophobicContact CD-CG2 4.48Å; K56-V71 PolarHBondContact N-O 2.9Å; K56-V71 VanDerWaalsContact N-O 3.17Å; K56-V71 PolarHBondContact O-N 3.12Å; V71-F187 HydrophobicContact CG1-CB 3.84Å; V71-L188 CarbonylContact C-O 3.47Å; V71-L188 VanDerWaalsContact CA-O 3.26Å; V71-L188 WeakPolarHBondContact CA-O 3.07Å; V71-K189 HydrophobicContact CG2-CB 4.08Å; V71-K189 HydrophobicContact CG2-CG 4.04Å |
| 72 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.2 | 175.6 | -58.1 | -176.9 | 0 | 0 | 0 | 111.7 | A52 H53 F54 F70 F187 L188 F190 V215 | A52-L72 HydrophobicContact CB-CD1 4.5Å; H53-L72 CarbonylContact O-C 3.56Å; H53-L72 VanDerWaalsContact O-CA 3.24Å; H53-L72 WeakPolarHBondContact O-CA 3.35Å; F54-L72 HydrophobicContact CD1-CD2 3.58Å; F54-L72 HydrophobicContact CD2-CD2 4.16Å; F54-L72 HydrophobicContact CE1-CD2 3.59Å; F54-L72 HydrophobicContact CE2-CD2 4.16Å; F54-L72 HydrophobicContact CG-CD2 3.88Å; F54-L72 HydrophobicContact CZ-CD2 3.88Å; F70-L72 HydrophobicContact CD2-CD2 3.92Å; F70-L72 HydrophobicContact CD2-CG 3.97Å; F70-L72 HydrophobicContact CE2-CD1 4.09Å; F70-L72 HydrophobicContact CE2-CD2 4.07Å; F70-L72 HydrophobicContact CE2-CG 3.88Å; L72-F187 CarbonylContact O-C 3.59Å; L72-F187 VanDerWaalsContact O-CA 3.26Å; L72-F187 WeakPolarHBondContact O-CA 3.39Å; L72-L188 PolarHBondContact N-O 2.83Å; L72-L188 PolarHBondContact O-N 3.22Å; L72-F190 HydrophobicContact CB-CE2 4.38Å; L72-F190 HydrophobicContact CD1-CD2 4.38Å; L72-F190 HydrophobicContact CD1-CE2 3.57Å; L72-F190 HydrophobicContact CD1-CZ 4.1Å; L72-F190 HydrophobicContact CG-CD2 4.35Å; L72-F190 HydrophobicContact CG-CE2 3.86Å; L72-V215 HydrophobicContact CD1-CB 4.35Å; L72-V215 HydrophobicContact CD1-CG1 3.81Å; L72-V215 HydrophobicContact CD1-CG2 3.74Å; L72-V215 HydrophobicContact CD2-CG2 4.23Å |
| 73 | A | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 146.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A52 H53 E55 Y75 F187 | A52-A73 CarbonylContact C-O 3.06Å; A52-A73 VanDerWaalsContact CA-O 3.24Å; A52-A73 WeakPolarHBondContact CA-O 3.26Å; H53-A73 PolarHBondContact N-O 2.59Å; H53-A73 PolarHBondContact O-N 3.39Å; E55-A73 HydrophobicContact CG-CB 3.83Å; E55-A73 WeakPolarHBondContact OE1-CB 3.41Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-F187 HydrophobicContact CB-CD1 3.94Å; A73-F187 HydrophobicContact CB-CE1 4.02Å |
| 74 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.7 | 179.5 | -62.3 | -177.1 | 0 | 0 | 0 | 111.2 | L49 A52 V82 I84 L112 L114 L188 | L49-L74 HydrophobicContact CD1-CD1 4.2Å; L49-L74 HydrophobicContact CD1-CD2 4.42Å; L49-L74 HydrophobicContact CD2-CB 3.98Å; L49-L74 HydrophobicContact CD2-CD1 4.36Å; A52-L74 HydrophobicContact CB-CD2 3.79Å; L74-V82 HydrophobicContact CB-CB 4.44Å; L74-V82 PolarHBondContact O-N 3.42Å; L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.49Å; L74-I84 HydrophobicContact CG-CD1 4.23Å; L74-L112 HydrophobicContact CD1-CD1 3.71Å; L74-L114 HydrophobicContact CD1-CD2 3.96Å; L74-L188 HydrophobicContact CD1-CD1 4.24Å |
| 75 | Y | 96.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.2 | 180 | -56.6 | -93.6 | 0 | 0 | 0 | 112.9 | A50 R51 H53 A73 G79 Q80 P81 | A50-Y75 PolarHBondContact N-O 2.77Å; R51-Y75 HydrophobicContact CG-CD2 3.98Å; R51-Y75 HydrophobicContact CG-CG 4.19Å; R51-Y75 PolarHBondContact N-O 3.47Å; R51-Y75 PolarHBondContact O-N 3.49Å; H53-Y75 HydrophobicContact CB-CE2 3.88Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; Y75-G79 WeakPolarHBondContact CD1-O 3.47Å; Y75-Q80 WeakPolarHBondContact CA-O 3.29Å; Y75-P81 HydrophobicContact CD1-CB 4.45Å; Y75-P81 HydrophobicContact CE1-CB 4.31Å |
| 76 | D | 95.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 178.7 | 176.2 | 70.1 | 17.3 | 0 | 0 | 0 | 113.5 | G48 Q78 G79 Q80 V82 Y116 | G48-D76 WeakPolarHBondContact O-CA 3.24Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 VanDerWaalsContact OD1-C 3.23Å; D76-Q78 VanDerWaalsContact OD1-CA 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.46Å; D76-G79 PolarHBondContact O-N 2.9Å; D76-G79 PolarHBondContact OD1-N 2.72Å; D76-Q80 PolarHBondContact N-O 3Å; D76-Q80 PolarHBondContact OD1-N 2.92Å; D76-V82 HydrophobicContact CB-CG2 4.03Å; D76-Y116 HydrophobicContact CB-CD1 3.72Å; D76-Y116 HydrophobicContact CB-CE1 3.7Å |
| 77 | R | 92.1 | Very high | 96.5 | Very high | 143 Ų | 143 | 46.2 Ų | 46.2 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.7 | 177 | -71.1 | 177.6 | 176.9 | -177.9 | 2.2 | 113.9 | G48 A50 | G48-R77 PolarHBondContact O-N 3.03Å; A50-R77 HydrophobicContact CB-CB 4.39Å; A50-R77 HydrophobicContact CB-CG 3.92Å |
| 78 | Q | 92.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 53% | 0.533 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 1.7 | 178 | -61.7 | 73.9 | 13.6 | 0 | 0 | 111.4 | G46 D76 Q80 | G46-Q78 PolarHBondContact O-NE2 2.86Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 VanDerWaalsContact OD1-C 3.23Å; D76-Q78 VanDerWaalsContact OD1-CA 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.35Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.46Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å; Q78-Q80 PolarHBondContact O-N 3.26Å |
| 79 | G | 92.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 78.2 | 6.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R51 Y75 D76 | R51-G79 PolarHBondContact NH2-O 3.43Å; Y75-G79 WeakPolarHBondContact CD1-O 3.47Å; D76-G79 PolarHBondContact O-N 2.9Å; D76-G79 PolarHBondContact OD1-N 2.72Å |
| 80 | Q | 95.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | trans | -78.8 | 149 | 179.4 | -54.9 | -57.1 | -47 | 0 | 0 | 111 | Y75 D76 Q78 | Y75-Q80 WeakPolarHBondContact CA-O 3.29Å; D76-Q80 PolarHBondContact N-O 3Å; D76-Q80 PolarHBondContact OD1-N 2.92Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 HydrophobicContact CB-CG 4.38Å; Q78-Q80 PolarHBondContact O-N 3.26Å | ||
| 81 | P | 95.7 | Very high | 96.2 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -70.3 | 142.8 | 174.1 | 32.2 | -36 | 0 | 0 | 0 | 110.7 | Y75 F186 | Y75-P81 HydrophobicContact CD1-CB 4.45Å; Y75-P81 HydrophobicContact CE1-CB 4.31Å; P81-F186 HydrophobicContact CB-CD1 3.74Å; P81-F186 HydrophobicContact CB-CE1 3.95Å; P81-F186 HydrophobicContact CG-CD1 4.38Å; P81-F186 HydrophobicContact CG-CE1 4.12Å |
| 82 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -105.4 | 126.1 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | L49 L74 D76 L114 Y116 F186 | L49-V82 HydrophobicContact CD2-CG2 4.1Å; L74-V82 HydrophobicContact CB-CB 4.44Å; L74-V82 PolarHBondContact O-N 3.42Å; D76-V82 HydrophobicContact CB-CG2 4.03Å; V82-L114 HydrophobicContact CG1-CB 3.87Å; V82-L114 HydrophobicContact CG1-CD1 4.39Å; V82-L114 HydrophobicContact CG1-CD2 4.14Å; V82-L114 HydrophobicContact CG1-CG 4.36Å; V82-Y116 HydrophobicContact CG1-CD1 4.24Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.17Å; V82-Y116 HydrophobicContact CG1-CE2 4.3Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.9Å; V82-Y116 HydrophobicContact CG2-CE1 3.78Å; V82-F186 WeakPolarHBondContact O-CD1 3.25Å | ||
| 83 | E | 97.1 | Very high | 95.9 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 149.2 | 174.2 | -81 | -166.3 | -130.4 | 0 | 0 | 110.5 | L114 L115 R185 F186 | E83-L114 WeakPolarHBondContact O-CA 3.4Å; E83-L115 HydrophobicContact CB-CB 4.04Å; E83-L115 HydrophobicContact CB-CD2 4.38Å; E83-L115 HydrophobicContact CB-CG 4.43Å; E83-L115 PolarHBondContact N-O 2.93Å; E83-L115 PolarHBondContact O-N 3.06Å; E83-R185 HydrophobicContact CG-CB 4.32Å; E83-R185 IonicContact OE1-NH1 3.74Å; E83-R185 WeakPolarHBondContact OE2-CD 3.07Å; E83-R185 IonicContact OE2-CZ 3.69Å; E83-R185 IonicContact OE2-NE 2.72Å; E83-R185 IonicContact OE2-NH1 2.79Å; E83-R185 PolarHBondContact OE2-NH1 3.29Å; E83-F186 HydrophobicContact CB-CE1 4.26Å; E83-F186 HydrophobicContact CG-CD1 4.03Å; E83-F186 HydrophobicContact CG-CE1 3.32Å; E83-F186 HydrophobicContact CG-CE2 4.14Å; E83-F186 HydrophobicContact CG-CZ 3.37Å |
| 84 | I | 97.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.1 | -173.3 | -46.4 | 176.1 | 0 | 0 | 0 | 108.6 | L74 T87 L114 I182 R185 L188 | L74-I84 HydrophobicContact CD1-CD1 3.77Å; L74-I84 HydrophobicContact CD1-CG1 4.49Å; L74-I84 HydrophobicContact CG-CD1 4.23Å; I84-T87 HydrophobicContact CG2-CG2 4.23Å; I84-L114 HydrophobicContact CB-CD2 4.46Å; I84-L114 HydrophobicContact CG1-CD2 3.92Å; I84-L114 HydrophobicContact CG2-CD2 4.18Å; I84-I182 HydrophobicContact CG2-CD1 4.23Å; I84-I182 HydrophobicContact CG2-CG1 4.25Å; I84-R185 WeakPolarHBondContact CB-O 3.4Å; I84-R185 PolarHBondContact N-O 3.25Å; I84-L188 HydrophobicContact CD1-CD1 3.9Å; I84-L188 HydrophobicContact CD1-CD2 3.88Å; I84-L188 HydrophobicContact CD1-CG 3.51Å; I84-L188 HydrophobicContact CG2-CD2 4.09Å |
| 85 | E | 95.9 | Very high | 95 | Very high | 68 Ų | 68 | 57.8 Ų | 57.8 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -35.2 | -173.9 | -63.3 | -172.9 | 134.3 | 0 | 0 | 112.4 | Q113 L115 R121 | E85-Q113 HydrophobicContact CB-CB 4.45Å; E85-Q113 HydrophobicContact CB-CG 4.31Å; E85-Q113 PolarHBondContact N-O 2.96Å; E85-Q113 PolarHBondContact OE2-NE2 2.82Å; E85-L115 HydrophobicContact CG-CB 4.22Å; E85-R121 VanDerWaalsContact CD-NE 3.26Å; E85-R121 IonicContact OE1-CZ 3.23Å; E85-R121 VanDerWaalsContact OE1-CZ 3.23Å; E85-R121 IonicContact OE1-NE 3.31Å; E85-R121 PolarHBondContact OE1-NE 3.24Å; E85-R121 IonicContact OE1-NH2 2.69Å; E85-R121 PolarHBondContact OE1-NH2 2.81Å; E85-R121 VanDerWaalsContact OE2-CD 3.3Å; E85-R121 WeakPolarHBondContact OE2-CD 3.21Å; E85-R121 IonicContact OE2-CZ 3.87Å; E85-R121 IonicContact OE2-NE 2.94Å; E85-R121 PolarHBondContact OE2-NE 3.14Å |
| 86 | R | 96.3 | Very high | 94.4 | Very high | 162 Ų | 162 | 63.8 Ų | 63.8 | 61% | 0.611 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153.7 | 179.3 | -58.2 | -172.6 | 176.9 | 139.3 | -10.9 | 112.3 | L112 Q113 | R86-L112 WeakPolarHBondContact O-CA 3.48Å; R86-Q113 HydrophobicContact CB-CB 3.81Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.87Å; R86-Q113 PolarHBondContact O-N 3.16Å |
| 87 | T | 97.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132.5 | -180 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | I84 L112 P180 I182 L188 | I84-T87 HydrophobicContact CG2-CG2 4.23Å; T87-L112 HydrophobicContact CG2-CD2 3.5Å; T87-P180 VanDerWaalsContact CB-O 3.28Å; T87-P180 WeakPolarHBondContact CB-O 3.14Å; T87-P180 HydrophobicContact CG2-CB 4.04Å; T87-P180 WeakPolarHBondContact CG2-O 3.45Å; T87-P180 PolarHBondContact OG1-O 3Å; T87-I182 HydrophobicContact CG2-CD1 4.1Å; T87-I182 HydrophobicContact CG2-CG1 3.77Å; T87-L188 HydrophobicContact CG2-CD1 4.43Å; T87-L188 HydrophobicContact CG2-CD2 3.4Å; T87-L188 VanDerWaalsContact CG2-CD2 3.4Å |
| 88 | T | 97.6 | Very high | 93.5 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.2 | 171.5 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | Y110 R111 D179 | T88-Y110 CarbonylContact O-C 3.53Å; T88-Y110 WeakPolarHBondContact O-CA 3.49Å; T88-R111 PolarHBondContact N-O 3.29Å; T88-R111 PolarHBondContact O-N 3.2Å; T88-D179 WeakPolarHBondContact CA-OD1 3.48Å |
| 89 | F | 97.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 59.1 Ų | 59.1 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132 | 158.7 | 169.2 | -88.9 | 0 | 0 | 0 | 109.2 | F92 I108 Y110 T156 D179 | F89-F92 HydrophobicContact CE2-CE1 4.29Å; F89-F92 HydrophobicContact CE2-CE2 4.21Å; F89-F92 HydrophobicContact CE2-CZ 4.02Å; F89-F92 HydrophobicContact CZ-CD2 4.02Å; F89-F92 AromaticContact CZ-CE2 3.65Å; F89-F92 HydrophobicContact CZ-CE2 3.65Å; F89-F92 AromaticContact CZ-CZ 3.91Å; F89-F92 HydrophobicContact CZ-CZ 3.91Å; F89-I108 HydrophobicContact CD2-CG2 3.58Å; F89-I108 HydrophobicContact CE2-CG2 3.6Å; F89-Y110 HydrophobicContact CB-CD1 4.27Å; F89-Y110 HydrophobicContact CB-CE1 4.07Å; F89-Y110 HydrophobicContact CD2-CE1 4.13Å; F89-T156 HydrophobicContact CD2-CG2 3.79Å; F89-T156 HydrophobicContact CE2-CG2 3.71Å; F89-D179 PolarHBondContact N-OD1 2.9Å |
| 90 | V | 96.4 | Very high | 91.5 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -60.9 | 178.7 | -169.1 | 0 | 0 | 0 | 0 | 110.3 | H109 R111 | V90-H109 HydrophobicContact CB-CB 4.49Å; V90-H109 PolarHBondContact N-O 3.27Å; V90-R111 HydrophobicContact CG2-CB 3.71Å |
| 91 | D | 95.4 | Very high | 90.3 | Very high | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | -174.7 | -174.3 | 59.6 | 70.8 | 0 | 0 | 0 | 113.5 | K97 H109 | D91-K97 IonicContact OD1-NZ 3.29Å; D91-K97 IonicContact OD2-NZ 2.78Å; D91-K97 PolarHBondContact OD2-NZ 2.93Å; D91-H109 PolarHBondContact N-O 3.28Å; D91-H109 PolarHBondContact O-N 2.73Å; D91-H109 VanDerWaalsContact OD1-CB 3.26Å; D91-H109 WeakPolarHBondContact OD1-CB 3.32Å; D91-H109 IonicContact OD1-CG 2.91Å; D91-H109 IonicContact OD1-ND1 3.66Å; D91-H109 PolarHBondContact OD1-ND1 3.21Å; D91-H109 IonicContact OD2-CE1 2.72Å; D91-H109 IonicContact OD2-CG 2.7Å; D91-H109 IonicContact OD2-ND1 3.23Å; D91-H109 PolarHBondContact OD2-ND1 2.74Å |
| 92 | F | 96.3 | Very high | 89.5 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 145.8 | 171.6 | -66.2 | -80.3 | 0 | 0 | 0 | 110.8 | F89 E94 G107 I108 T156 I159 | F89-F92 HydrophobicContact CE2-CE1 4.29Å; F89-F92 HydrophobicContact CE2-CE2 4.21Å; F89-F92 HydrophobicContact CE2-CZ 4.02Å; F89-F92 HydrophobicContact CZ-CD2 4.02Å; F89-F92 AromaticContact CZ-CE2 3.65Å; F89-F92 HydrophobicContact CZ-CE2 3.65Å; F89-F92 AromaticContact CZ-CZ 3.91Å; F89-F92 HydrophobicContact CZ-CZ 3.91Å; F92-E94 PolarHBondContact O-N 3.41Å; F92-G107 WeakPolarHBondContact CA-O 3.41Å; F92-I108 HydrophobicContact CD1-CD1 4.49Å; F92-I108 HydrophobicContact CD1-CG1 3.65Å; F92-I108 HydrophobicContact CE1-CD1 4.02Å; F92-I108 HydrophobicContact CE1-CG1 3.65Å; F92-T156 HydrophobicContact CZ-CG2 4.36Å; F92-I159 HydrophobicContact CE2-CB 4.24Å; F92-I159 HydrophobicContact CE2-CG1 4.2Å; F92-I159 HydrophobicContact CE2-CG2 4.18Å; F92-I159 HydrophobicContact CZ-CB 4.31Å; F92-I159 HydrophobicContact CZ-CG2 3.79Å |
| 93 | V | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -75.8 | 95 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 108.9 | E98 N106 G107 Y127 V219 | V93-E98 HydrophobicContact CG1-CG 4.05Å; V93-N106 PolarHBondContact O-N 3.29Å; V93-G107 PolarHBondContact N-O 3.37Å; V93-Y127 HydrophobicContact CG2-CD1 3.91Å; V93-Y127 HydrophobicContact CG2-CE1 4.42Å; V93-V219 HydrophobicContact CG1-CG1 3.68Å |
| 94 | E | 90.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 69.7 Ų | 69.7 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | trans | -150.9 | 160.9 | 179.6 | 66.1 | -177.6 | -135 | 0 | 0 | 111.4 | F92 E96 K97 R152 | F92-E94 PolarHBondContact O-N 3.41Å; E94-E96 PolarHBondContact O-N 2.87Å; E94-K97 PolarHBondContact O-N 3.21Å; E94-K97 VanDerWaalsContact O-N 3.13Å; E94-R152 IonicContact OE1-NH2 3.27Å; E94-R152 PolarHBondContact OE1-NH2 2.88Å; E94-R152 IonicContact OE2-CZ 3.18Å; E94-R152 IonicContact OE2-NE 3.36Å; E94-R152 PolarHBondContact OE2-NE 2.67Å; E94-R152 IonicContact OE2-NH2 2.73Å; E94-R152 PolarHBondContact OE2-NH2 2.88Å | ||
| 95 | K | 87.4 | Confident | 88.7 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 59 | -122.6 | 171.4 | -55.1 | 161.4 | -178.9 | 147 | 0 | 111.8 | K97 E98 | K95-K97 PolarHBondContact O-N 2.91Å; K95-E98 PolarHBondContact N-OE2 2.89Å; K95-E98 PolarHBondContact O-N 3.44Å |
| 96 | E | 83.8 | Confident | 88.7 | Confident | 174 Ų | 174 | 68.5 Ų | 68.5 | 81% | 0.813 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -66.8 | -12.6 | -179.8 | 68.1 | -155.5 | -171.3 | 0 | 0 | 114.4 | E94 | E94-E96 PolarHBondContact O-N 2.87Š|
| 97 | K | 83.6 | Confident | 88.7 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -95.6 | -1.3 | 178.3 | -63.3 | 179.7 | 179 | 175.9 | 0 | 113.2 | D91 E94 K95 | D91-K97 IonicContact OD1-NZ 3.29Å; D91-K97 IonicContact OD2-NZ 2.78Å; D91-K97 PolarHBondContact OD2-NZ 2.93Å; E94-K97 PolarHBondContact O-N 3.21Å; E94-K97 VanDerWaalsContact O-N 3.13Å; K95-K97 PolarHBondContact O-N 2.91Å |
| 98 | E | 83.9 | Confident | 88.7 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -84.9 | 154.5 | 172.4 | -60.9 | -167.9 | 89.6 | 0 | 0 | 111.2 | V93 K95 T104 N105 | V93-E98 HydrophobicContact CG1-CG 4.05Å; K95-E98 PolarHBondContact N-OE2 2.89Å; K95-E98 PolarHBondContact O-N 3.44Å; E98-T104 VanDerWaalsContact OE1-CA 3.3Å; E98-T104 WeakPolarHBondContact OE1-CA 3.36Å; E98-T104 WeakPolarHBondContact OE1-CB 3.35Å; E98-T104 PolarHBondContact OE1-N 2.88Å; E98-T104 PolarHBondContact OE1-OG1 2.91Å; E98-N105 PolarHBondContact OE1-N 3.46Å |
| 99 | T | 76.4 | Confident | 88.7 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | trans | -64.8 | 137.5 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | G101 E102 | T99-G101 PolarHBondContact O-N 3Å; T99-E102 WeakPolarHBondContact O-CB 3.28Å; T99-E102 PolarHBondContact O-N 2.78Å | ||
| 100 | T | 68.1 | Low | 88.7 | Confident | 150 Ų | 150 | 54.6 Ų | 54.6 | 92% | 0.92 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 102.4 | -163.5 | -47.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 101 | G | 69.9 | Low | 88.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 84% | 0.835 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.3 | -19.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T99 | T99-G101 PolarHBondContact O-N 3Š|
| 102 | E | 78.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | trans | -75.1 | 144 | 174 | -63 | -165 | 156.4 | 0 | 0 | 112.1 | T99 T104 R129 | T99-E102 WeakPolarHBondContact O-CB 3.28Å; T99-E102 PolarHBondContact O-N 2.78Å; E102-T104 HydrophobicContact CB-CG2 4.11Å; E102-R129 IonicContact OE2-NH1 3.34Å; E102-R129 IonicContact OE2-NH2 3.21Å; E102-R129 PolarHBondContact OE2-NH2 3.08Å | ||
| 103 | K | 87.5 | Confident | 88.9 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 75% | 0.748 | 29% | 0.288 | S | S | * | . | trans | -133 | 71.5 | 167.9 | -71.9 | -172.4 | 177.2 | 179 | 0 | 109.8 | ||||
| 104 | T | 91.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | trans | -85.5 | -33.6 | -177.4 | 69.3 | 0 | 0 | 0 | 0 | 112.9 | E98 E102 N106 R129 A138 V140 Y141 | E98-T104 VanDerWaalsContact OE1-CA 3.3Å; E98-T104 WeakPolarHBondContact OE1-CA 3.36Å; E98-T104 WeakPolarHBondContact OE1-CB 3.35Å; E98-T104 PolarHBondContact OE1-N 2.88Å; E98-T104 PolarHBondContact OE1-OG1 2.91Å; E102-T104 HydrophobicContact CB-CG2 4.11Å; T104-N106 PolarHBondContact O-N 3.34Å; T104-N106 WeakPolarHBondContact OG1-CB 3.25Å; T104-N106 PolarHBondContact OG1-N 3.28Å; T104-R129 PolarHBondContact OG1-NH2 3.5Å; T104-A138 HydrophobicContact CG2-CB 3.94Å; T104-V140 HydrophobicContact CG2-CG2 4.23Å; T104-Y141 PolarHBondContact O-N 2.92Å | ||
| 105 | N | 94.8 | Very high | 89.3 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | trans | 49.6 | 42.8 | -165.8 | -54.7 | -86.9 | 0 | 0 | 0 | 111.3 | E98 C151 R152 V153 | E98-N105 PolarHBondContact OE1-N 3.46Å; N105-C151 VanDerWaalsContact CB-O 3.28Å; N105-C151 WeakPolarHBondContact CB-O 3.32Å; N105-R152 CarbonylContact O-C 3.57Å; N105-R152 VanDerWaalsContact O-CA 3.26Å; N105-R152 WeakPolarHBondContact O-CA 3.43Å; N105-V153 PolarHBondContact O-N 2.7Å | ||
| 106 | N | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -133.9 | 96.5 | -169.7 | 175 | 14.8 | 0 | 0 | 0 | 111.2 | V93 T104 R129 L130 I139 V153 | V93-N106 PolarHBondContact O-N 3.29Å; T104-N106 PolarHBondContact O-N 3.34Å; T104-N106 WeakPolarHBondContact OG1-CB 3.25Å; T104-N106 PolarHBondContact OG1-N 3.28Å; N106-R129 WeakPolarHBondContact O-CG 3.07Å; N106-R129 PolarHBondContact O-NE 3.39Å; N106-L130 PolarHBondContact ND2-O 2.67Å; N106-L130 PolarHBondContact OD1-N 3.24Å; N106-I139 WeakPolarHBondContact CB-O 3.37Å; N106-I139 PolarHBondContact ND2-N 3.35Å; N106-I139 VanDerWaalsContact ND2-N 3.17Å; N106-I139 PolarHBondContact ND2-O 3.1Å; N106-V153 HydrophobicContact CB-CB 3.71Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.64Å | ||
| 107 | G | 95.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | 160.6 | 160.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F92 V93 V128 | F92-G107 WeakPolarHBondContact CA-O 3.41Å; V93-G107 PolarHBondContact N-O 3.37Å; G107-V128 CarbonylContact C-O 3.5Å; G107-V128 WeakPolarHBondContact CA-O 3.5Å | ||
| 108 | I | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.5 | 169.4 | -66.5 | 162.7 | 0 | 0 | 0 | 108.1 | F89 F92 Y110 Y127 V128 L154 T156 L192 | F89-I108 HydrophobicContact CD2-CG2 3.58Å; F89-I108 HydrophobicContact CE2-CG2 3.6Å; F92-I108 HydrophobicContact CD1-CD1 4.49Å; F92-I108 HydrophobicContact CD1-CG1 3.65Å; F92-I108 HydrophobicContact CE1-CD1 4.02Å; F92-I108 HydrophobicContact CE1-CG1 3.65Å; I108-Y110 HydrophobicContact CB-CE2 3.94Å; I108-Y110 HydrophobicContact CG2-CD1 4.36Å; I108-Y110 HydrophobicContact CG2-CD2 3.92Å; I108-Y110 HydrophobicContact CG2-CE1 3.85Å; I108-Y110 HydrophobicContact CG2-CE2 3.39Å; I108-Y110 HydrophobicContact CG2-CG 4.39Å; I108-Y127 WeakPolarHBondContact O-CA 3.05Å; I108-V128 PolarHBondContact N-O 2.91Å; I108-V128 PolarHBondContact O-N 3.38Å; I108-L154 HydrophobicContact CD1-CB 3.89Å; I108-L154 HydrophobicContact CG1-CB 4.24Å; I108-T156 HydrophobicContact CD1-CG2 3.91Å; I108-L192 HydrophobicContact CD1-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD2 3.35Å; I108-L192 HydrophobicContact CD1-CG 4.5Å |
| 109 | H | 97.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.06 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.5 | 177.3 | 179.2 | -153.6 | 0 | 0 | 0 | 108.9 | V90 D91 D125 Y127 | V90-H109 HydrophobicContact CB-CB 4.49Å; V90-H109 PolarHBondContact N-O 3.27Å; D91-H109 PolarHBondContact N-O 3.28Å; D91-H109 PolarHBondContact O-N 2.73Å; D91-H109 VanDerWaalsContact OD1-CB 3.26Å; D91-H109 WeakPolarHBondContact OD1-CB 3.32Å; D91-H109 IonicContact OD1-CG 2.91Å; D91-H109 IonicContact OD1-ND1 3.66Å; D91-H109 PolarHBondContact OD1-ND1 3.21Å; D91-H109 IonicContact OD2-CE1 2.72Å; D91-H109 IonicContact OD2-CG 2.7Å; D91-H109 IonicContact OD2-ND1 3.23Å; D91-H109 PolarHBondContact OD2-ND1 2.74Å; H109-D125 IonicContact NE2-OD1 2.63Å; H109-D125 PolarHBondContact NE2-OD1 2.88Å; H109-D125 IonicContact NE2-OD2 3.71Å; H109-Y127 HydrophobicContact CB-CD1 4.03Å; H109-Y127 HydrophobicContact CB-CE1 3.75Å; H109-Y127 AromaticContact CD2-CD1 3.96Å; H109-Y127 AromaticContact CD2-CE1 3.24Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.35Å; H109-Y127 AromaticContact CD2-CZ 3.45Å; H109-Y127 VanDerWaalsContact CD2-CZ 3.45Å; H109-Y127 AromaticContact CG-CE1 3.5Å; H109-Y127 AromaticContact NE2-CE1 3.92Å; H109-Y127 AromaticContact NE2-CZ 3.7Å; H109-Y127 PolarHBondContact NE2-OH 3.44Å |
| 110 | Y | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158.5 | 176 | -67.3 | -71.1 | 0 | 0 | 0 | 110 | T88 F89 I108 D125 L126 V128 S178 P180 F190 L192 | T88-Y110 CarbonylContact O-C 3.53Å; T88-Y110 WeakPolarHBondContact O-CA 3.49Å; F89-Y110 HydrophobicContact CB-CD1 4.27Å; F89-Y110 HydrophobicContact CB-CE1 4.07Å; F89-Y110 HydrophobicContact CD2-CE1 4.13Å; I108-Y110 HydrophobicContact CB-CE2 3.94Å; I108-Y110 HydrophobicContact CG2-CD1 4.36Å; I108-Y110 HydrophobicContact CG2-CD2 3.92Å; I108-Y110 HydrophobicContact CG2-CE1 3.85Å; I108-Y110 HydrophobicContact CG2-CE2 3.39Å; I108-Y110 HydrophobicContact CG2-CG 4.39Å; Y110-D125 CarbonylContact O-C 3.59Å; Y110-D125 WeakPolarHBondContact O-CA 3.43Å; Y110-L126 WeakPolarHBondContact CB-O 3.46Å; Y110-L126 PolarHBondContact N-O 3.27Å; Y110-L126 PolarHBondContact O-N 2.91Å; Y110-V128 HydrophobicContact CD2-CG2 4.01Å; Y110-V128 HydrophobicContact CE2-CB 4.36Å; Y110-V128 HydrophobicContact CE2-CG2 3.92Å; Y110-S178 WeakPolarHBondContact CE1-O 3.42Å; Y110-P180 VanDerWaalsContact CD1-CD 3.5Å; Y110-P180 HydrophobicContact CD1-CG 3.53Å; Y110-P180 VanDerWaalsContact CE1-CD 3.5Å; Y110-P180 HydrophobicContact CE1-CG 3.6Å; Y110-P180 HydrophobicContact CG-CG 4.03Å; Y110-F190 HydrophobicContact CD2-CD1 4.12Å; Y110-F190 AromaticContact CD2-CE1 3.69Å; Y110-F190 HydrophobicContact CD2-CE1 3.69Å; Y110-F190 AromaticContact CE2-CD1 3.59Å; Y110-F190 HydrophobicContact CE2-CD1 3.59Å; Y110-F190 AromaticContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CG-CE1 4.21Å; Y110-F190 AromaticContact CZ-CD1 3.87Å; Y110-L192 WeakPolarHBondContact OH-CD2 3.34Å |
| 111 | R | 97.7 | Very high | 92.8 | Very high | 81 Ų | 81 | 41 Ų | 41 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.2 | 170 | -172.4 | 174.5 | -71.5 | -159.4 | -9.2 | 111 | T88 V90 E123 D125 | T88-R111 PolarHBondContact N-O 3.29Å; T88-R111 PolarHBondContact O-N 3.2Å; V90-R111 HydrophobicContact CG2-CB 3.71Å; R111-E123 WeakPolarHBondContact CD-OE1 3.26Å; R111-E123 HydrophobicContact CG-CG 3.96Å; R111-E123 IonicContact CZ-OE1 3.71Å; R111-E123 IonicContact NE-OE1 2.73Å; R111-E123 IonicContact NH1-OE1 2.73Å; R111-E123 PolarHBondContact NH1-OE1 2.88Å; R111-D125 IonicContact CZ-OD1 2.67Å; R111-D125 VanDerWaalsContact CZ-OD1 3.23Å; R111-D125 IonicContact NE-OD1 2.64Å; R111-D125 PolarHBondContact NE-OD1 2.98Å; R111-D125 IonicContact NH2-OD1 3.84Å; R111-D125 PolarHBondContact NH2-OD1 3.36Å; R111-D125 IonicContact NH2-OD2 2.84Å; R111-D125 PolarHBondContact NH2-OD2 2.93Å |
| 112 | L | 97.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.8 | -175.6 | -54.7 | -177.9 | 0 | 0 | 0 | 110.2 | L74 R86 T87 L114 Q124 L126 L188 | L74-L112 HydrophobicContact CD1-CD1 3.71Å; R86-L112 WeakPolarHBondContact O-CA 3.48Å; T87-L112 HydrophobicContact CG2-CD2 3.5Å; L112-L114 HydrophobicContact CB-CD2 3.86Å; L112-L114 HydrophobicContact CB-CG 4.02Å; L112-L114 HydrophobicContact CD1-CD2 4.07Å; L112-Q124 PolarHBondContact N-O 2.83Å; L112-Q124 PolarHBondContact O-N 3.2Å; L112-L126 HydrophobicContact CD1-CB 4.29Å; L112-L126 HydrophobicContact CD1-CD2 4.11Å; L112-L126 HydrophobicContact CG-CB 4.45Å; L112-L188 HydrophobicContact CD1-CD1 3.73Å; L112-L188 HydrophobicContact CD2-CD1 3.71Å; L112-L188 HydrophobicContact CG-CD1 4.41Å |
| 113 | Q | 97.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.9 | 162 | -171.3 | 179.7 | -40.5 | 0 | 0 | 107.3 | E85 R86 | E85-Q113 HydrophobicContact CB-CB 4.45Å; E85-Q113 HydrophobicContact CB-CG 4.31Å; E85-Q113 PolarHBondContact N-O 2.96Å; E85-Q113 PolarHBondContact OE2-NE2 2.82Å; R86-Q113 HydrophobicContact CB-CB 3.81Å; R86-Q113 HydrophobicContact CG-CB 4.31Å; R86-Q113 PolarHBondContact N-O 2.87Å; R86-Q113 PolarHBondContact O-N 3.16Å |
| 114 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.8 | -175.6 | -60.1 | 176.8 | 0 | 0 | 0 | 110.9 | L49 L74 V82 E83 I84 L112 Y116 R121 T122 Q124 | L49-L114 HydrophobicContact CD1-CD1 4.02Å; L49-L114 HydrophobicContact CD2-CD1 3.92Å; L49-L114 HydrophobicContact CG-CD1 3.94Å; L74-L114 HydrophobicContact CD1-CD2 3.96Å; V82-L114 HydrophobicContact CG1-CB 3.87Å; V82-L114 HydrophobicContact CG1-CD1 4.39Å; V82-L114 HydrophobicContact CG1-CD2 4.14Å; V82-L114 HydrophobicContact CG1-CG 4.36Å; E83-L114 WeakPolarHBondContact O-CA 3.4Å; I84-L114 HydrophobicContact CB-CD2 4.46Å; I84-L114 HydrophobicContact CG1-CD2 3.92Å; I84-L114 HydrophobicContact CG2-CD2 4.18Å; L112-L114 HydrophobicContact CB-CD2 3.86Å; L112-L114 HydrophobicContact CB-CG 4.02Å; L112-L114 HydrophobicContact CD1-CD2 4.07Å; L114-Y116 HydrophobicContact CB-CE2 4.01Å; L114-Y116 HydrophobicContact CD1-CE2 4.43Å; L114-R121 CarbonylContact O-C 3.54Å; L114-R121 WeakPolarHBondContact O-CA 3.18Å; L114-T122 PolarHBondContact N-O 3.34Å; L114-T122 PolarHBondContact O-N 3.15Å; L114-Q124 HydrophobicContact CD1-CB 3.65Å; L114-Q124 HydrophobicContact CD1-CG 3.89Å; L114-Q124 HydrophobicContact CG-CB 4.28Å |
| 115 | L | 96.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 14% | 0.141 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 116.8 | 172.9 | 173.9 | 64.2 | 0 | 0 | 0 | 108.8 | E83 E85 R121 | E83-L115 HydrophobicContact CB-CB 4.04Å; E83-L115 HydrophobicContact CB-CD2 4.38Å; E83-L115 HydrophobicContact CB-CG 4.43Å; E83-L115 PolarHBondContact N-O 2.93Å; E83-L115 PolarHBondContact O-N 3.06Å; E85-L115 HydrophobicContact CG-CB 4.22Å; L115-R121 HydrophobicContact CD1-CG 3.85Å |
| 116 | Y | 94.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | trans | -86.4 | 161.3 | -179.4 | -70.3 | -98.3 | 0 | 0 | 0 | 111.6 | V47 G48 L49 D76 V82 L114 N118 G119 I120 T122 | V47-Y116 HydrophobicContact CG1-CD1 3.65Å; V47-Y116 HydrophobicContact CG1-CD2 3.7Å; V47-Y116 HydrophobicContact CG1-CE1 3.9Å; V47-Y116 HydrophobicContact CG1-CE2 3.97Å; V47-Y116 HydrophobicContact CG1-CG 3.55Å; G48-Y116 WeakPolarHBondContact CA-OH 3.28Å; L49-Y116 PolarHBondContact N-OH 3.43Å; D76-Y116 HydrophobicContact CB-CD1 3.72Å; D76-Y116 HydrophobicContact CB-CE1 3.7Å; V82-Y116 HydrophobicContact CG1-CD1 4.24Å; V82-Y116 HydrophobicContact CG1-CD2 4.39Å; V82-Y116 HydrophobicContact CG1-CE1 4.17Å; V82-Y116 HydrophobicContact CG1-CE2 4.3Å; V82-Y116 HydrophobicContact CG1-CG 4.35Å; V82-Y116 HydrophobicContact CG2-CD1 3.9Å; V82-Y116 HydrophobicContact CG2-CE1 3.78Å; L114-Y116 HydrophobicContact CB-CE2 4.01Å; L114-Y116 HydrophobicContact CD1-CE2 4.43Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.45Å; Y116-N118 PolarHBondContact O-N 3.17Å; Y116-G119 PolarHBondContact O-N 2.89Å; Y116-I120 PolarHBondContact N-O 2.89Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.62Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.46Å | ||
| 117 | S | 92 | Very high | 95.5 | Very high | 84 Ų | 84 | 33 Ų | 33 | 59% | 0.587 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.7 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | G119 | S117-G119 VanDerWaalsContact C-N 3.34Š|
| 118 | N | 90.3 | Very high | 95.6 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 47% | 0.471 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.7 | 175.6 | 63.8 | 10.2 | 0 | 0 | 0 | 114.3 | V47 Y116 I120 | V47-N118 WeakPolarHBondContact CG2-ND2 3.42Å; Y116-N118 WeakPolarHBondContact CB-OD1 3.45Å; Y116-N118 PolarHBondContact O-N 3.17Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.09Å; N118-I120 WeakPolarHBondContact OD1-CB 3.28Å; N118-I120 WeakPolarHBondContact OD1-CG1 3.18Å; N118-I120 PolarHBondContact OD1-N 3.1Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å |
| 119 | G | 90.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 42% | 0.423 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 81.8 | -2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y116 S117 | Y116-G119 PolarHBondContact O-N 2.89Å; S117-G119 VanDerWaalsContact C-N 3.34Å |
| 120 | I | 92 | Very high | 95.6 | Very high | 53 Ų | 53 | 32.2 Ų | 32.2 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | trans | -74.9 | 136.7 | 177.3 | -63.9 | 178.6 | 0 | 0 | 0 | 109.9 | L37 V47 Y116 N118 T122 | L37-I120 HydrophobicContact CD1-CG2 3.78Å; L37-I120 HydrophobicContact CG-CG2 4.45Å; V47-I120 HydrophobicContact CG2-CD1 4.29Å; Y116-I120 PolarHBondContact N-O 2.89Å; N118-I120 VanDerWaalsContact C-N 3.31Å; N118-I120 PolarHBondContact O-N 3.09Å; N118-I120 WeakPolarHBondContact OD1-CB 3.28Å; N118-I120 WeakPolarHBondContact OD1-CG1 3.18Å; N118-I120 PolarHBondContact OD1-N 3.1Å; N118-I120 VanDerWaalsContact OD1-N 3.08Å; I120-T122 HydrophobicContact CG2-CG2 4.34Å | ||
| 121 | R | 95.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.2 | 173.1 | -72.3 | 178.2 | 172.2 | 73 | 9.6 | 111.2 | V36 L37 E85 L114 L115 | V36-R121 HydrophobicContact CB-CB 4.47Å; V36-R121 HydrophobicContact CG1-CB 4.45Å; V36-R121 HydrophobicContact CG2-CB 4.12Å; L37-R121 PolarHBondContact N-O 3.38Å; E85-R121 VanDerWaalsContact CD-NE 3.26Å; E85-R121 IonicContact OE1-CZ 3.23Å; E85-R121 VanDerWaalsContact OE1-CZ 3.23Å; E85-R121 IonicContact OE1-NE 3.31Å; E85-R121 PolarHBondContact OE1-NE 3.24Å; E85-R121 IonicContact OE1-NH2 2.69Å; E85-R121 PolarHBondContact OE1-NH2 2.81Å; E85-R121 VanDerWaalsContact OE2-CD 3.3Å; E85-R121 WeakPolarHBondContact OE2-CD 3.21Å; E85-R121 IonicContact OE2-CZ 3.87Å; E85-R121 IonicContact OE2-NE 2.94Å; E85-R121 PolarHBondContact OE2-NE 3.14Å; L114-R121 CarbonylContact O-C 3.54Å; L114-R121 WeakPolarHBondContact O-CA 3.18Å; L115-R121 HydrophobicContact CD1-CG 3.85Å |
| 122 | T | 94.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.1 | 173.9 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | L37 A42 L114 Y116 I120 | L37-T122 CarbonylContact O-C 3.55Å; L37-T122 WeakPolarHBondContact O-CA 3.24Å; A42-T122 HydrophobicContact CB-CG2 3.47Å; A42-T122 VanDerWaalsContact CB-CG2 3.47Å; L114-T122 PolarHBondContact N-O 3.34Å; L114-T122 PolarHBondContact O-N 3.15Å; Y116-T122 HydrophobicContact CD2-CG2 4.11Å; Y116-T122 HydrophobicContact CE2-CG2 3.62Å; Y116-T122 WeakPolarHBondContact CE2-OG1 3.46Å; I120-T122 HydrophobicContact CG2-CG2 4.34Å |
| 123 | E | 95.8 | Very high | 95.4 | Very high | 93 Ų | 93 | 29.8 Ų | 29.8 | 44% | 0.435 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.4 | 163.1 | -168 | 171.6 | -175.1 | 0 | 0 | 108.4 | V36 L37 A39 R111 | V36-E123 HydrophobicContact CG1-CB 3.89Å; L37-E123 PolarHBondContact O-N 2.82Å; A39-E123 PolarHBondContact N-O 2.8Å; R111-E123 WeakPolarHBondContact CD-OE1 3.26Å; R111-E123 HydrophobicContact CG-CG 3.96Å; R111-E123 IonicContact CZ-OE1 3.71Å; R111-E123 IonicContact NE-OE1 2.73Å; R111-E123 IonicContact NH1-OE1 2.73Å; R111-E123 PolarHBondContact NH1-OE1 2.88Å |
| 124 | Q | 95.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.8 | -172 | 174.9 | 66.9 | 82.4 | 0 | 0 | 110.6 | L49 L112 L114 | L49-Q124 HydrophobicContact CD1-CG 3.98Å; L112-Q124 PolarHBondContact N-O 2.83Å; L112-Q124 PolarHBondContact O-N 3.2Å; L114-Q124 HydrophobicContact CD1-CB 3.65Å; L114-Q124 HydrophobicContact CD1-CG 3.89Å; L114-Q124 HydrophobicContact CG-CB 4.28Å |
| 125 | D | 96.2 | Very high | 95.1 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.1 | 168.6 | -66 | -38.7 | 0 | 0 | 0 | 110.2 | H109 Y110 R111 Y127 | H109-D125 IonicContact NE2-OD1 2.63Å; H109-D125 PolarHBondContact NE2-OD1 2.88Å; H109-D125 IonicContact NE2-OD2 3.71Å; Y110-D125 CarbonylContact O-C 3.59Å; Y110-D125 WeakPolarHBondContact O-CA 3.43Å; R111-D125 IonicContact CZ-OD1 2.67Å; R111-D125 VanDerWaalsContact CZ-OD1 3.23Å; R111-D125 IonicContact NE-OD1 2.64Å; R111-D125 PolarHBondContact NE-OD1 2.98Å; R111-D125 IonicContact NH2-OD1 3.84Å; R111-D125 PolarHBondContact NH2-OD1 3.36Å; R111-D125 IonicContact NH2-OD2 2.84Å; R111-D125 PolarHBondContact NH2-OD2 2.93Å; D125-Y127 HydrophobicContact CB-CE2 4.27Å |
| 126 | L | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.5 | -178.2 | -170.3 | 85.7 | 0 | 0 | 0 | 109.9 | L49 Y110 L112 F190 V215 L226 | L49-L126 HydrophobicContact CD1-CD1 4.46Å; Y110-L126 WeakPolarHBondContact CB-O 3.46Å; Y110-L126 PolarHBondContact N-O 3.27Å; Y110-L126 PolarHBondContact O-N 2.91Å; L112-L126 HydrophobicContact CD1-CB 4.29Å; L112-L126 HydrophobicContact CD1-CD2 4.11Å; L112-L126 HydrophobicContact CG-CB 4.45Å; L126-F190 HydrophobicContact CD2-CE1 4.28Å; L126-F190 HydrophobicContact CD2-CZ 3.81Å; L126-V215 HydrophobicContact CD1-CG1 3.79Å; L126-V215 HydrophobicContact CD2-CG1 4.08Å; L126-V215 HydrophobicContact CG-CG1 4.1Å; L126-L226 HydrophobicContact CD1-CD1 3.68Å |
| 127 | Y | 97.4 | Very high | 95 | Very high | 32 Ų | 32 | 47 Ų | 47 | 13% | 0.125 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139 | -179.6 | -59.5 | -85 | 0 | 0 | 0 | 111.2 | V93 I108 H109 D125 V215 S216 T218 V219 | V93-Y127 HydrophobicContact CG2-CD1 3.91Å; V93-Y127 HydrophobicContact CG2-CE1 4.42Å; I108-Y127 WeakPolarHBondContact O-CA 3.05Å; H109-Y127 HydrophobicContact CB-CD1 4.03Å; H109-Y127 HydrophobicContact CB-CE1 3.75Å; H109-Y127 AromaticContact CD2-CD1 3.96Å; H109-Y127 AromaticContact CD2-CE1 3.24Å; H109-Y127 WeakPolarHBondContact CD2-CE1 3.35Å; H109-Y127 AromaticContact CD2-CZ 3.45Å; H109-Y127 VanDerWaalsContact CD2-CZ 3.45Å; H109-Y127 AromaticContact CG-CE1 3.5Å; H109-Y127 AromaticContact NE2-CE1 3.92Å; H109-Y127 AromaticContact NE2-CZ 3.7Å; H109-Y127 PolarHBondContact NE2-OH 3.44Å; D125-Y127 HydrophobicContact CB-CE2 4.27Å; Y127-V215 WeakPolarHBondContact O-CA 3.08Å; Y127-S216 PolarHBondContact N-O 2.96Å; Y127-S216 PolarHBondContact O-N 2.69Å; Y127-S216 VanDerWaalsContact O-N 3.1Å; Y127-T218 WeakPolarHBondContact CD2-O 3.28Å; Y127-V219 HydrophobicContact CD1-CG2 3.83Å; Y127-V219 HydrophobicContact CE1-CG2 3.53Å; Y127-V219 HydrophobicContact CE2-CG2 4.25Å; Y127-V219 HydrophobicContact CG-CG2 4.32Å |
| 128 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.3 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | F70 G107 I108 Y110 L154 F190 L192 V213 V214 | F70-V128 HydrophobicContact CE1-CG1 4.33Å; F70-V128 HydrophobicContact CZ-CG1 3.89Å; F70-V128 HydrophobicContact CZ-CG2 4.31Å; G107-V128 CarbonylContact C-O 3.5Å; G107-V128 WeakPolarHBondContact CA-O 3.5Å; I108-V128 PolarHBondContact N-O 2.91Å; I108-V128 PolarHBondContact O-N 3.38Å; Y110-V128 HydrophobicContact CD2-CG2 4.01Å; Y110-V128 HydrophobicContact CE2-CB 4.36Å; Y110-V128 HydrophobicContact CE2-CG2 3.92Å; V128-L154 HydrophobicContact CG1-CD1 4.39Å; V128-L154 WeakPolarHBondContact O-CD1 3.48Å; V128-F190 HydrophobicContact CG2-CD1 4.28Å; V128-F190 HydrophobicContact CG2-CE1 4.1Å; V128-L192 HydrophobicContact CG1-CD1 3.87Å; V128-V213 HydrophobicContact CG1-CG1 3.6Å; V128-V214 WeakPolarHBondContact CA-O 3.17Å |
| 129 | R | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.7 | 178.4 | -58.9 | -173.9 | 74.5 | -164.6 | -0.1 | 110 | E102 T104 N106 V214 V219 V221 | E102-R129 IonicContact OE2-NH1 3.34Å; E102-R129 IonicContact OE2-NH2 3.21Å; E102-R129 PolarHBondContact OE2-NH2 3.08Å; T104-R129 PolarHBondContact OG1-NH2 3.5Å; N106-R129 WeakPolarHBondContact O-CG 3.07Å; N106-R129 PolarHBondContact O-NE 3.39Å; R129-V214 PolarHBondContact N-O 2.59Å; R129-V214 VanDerWaalsContact N-O 3.14Å; R129-V214 PolarHBondContact O-N 3.25Å; R129-V219 WeakPolarHBondContact CD-O 3.34Å; R129-V219 PolarHBondContact NH1-O 3.2Å; R129-V221 HydrophobicContact CB-CG1 4.1Å; R129-V221 HydrophobicContact CG-CG1 4.43Å |
| 130 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 136.2 | 166.8 | -61.6 | -168.1 | 0 | 0 | 0 | 111.4 | N106 I139 V153 L154 C194 F211 Q212 V213 M232 | N106-L130 PolarHBondContact ND2-O 2.67Å; N106-L130 PolarHBondContact OD1-N 3.24Å; L130-I139 HydrophobicContact CB-CB 4.31Å; L130-I139 HydrophobicContact CB-CG1 3.98Å; L130-I139 PolarHBondContact O-N 3Å; L130-V153 HydrophobicContact CB-CG1 4.16Å; L130-V153 HydrophobicContact CD1-CG1 3.78Å; L130-V153 HydrophobicContact CG-CG1 4.13Å; L130-L154 HydrophobicContact CD1-CD2 3.98Å; L130-L154 HydrophobicContact CD1-CG 4.49Å; L130-L154 HydrophobicContact CD2-CD1 4.46Å; L130-L154 HydrophobicContact CD2-CD2 4.19Å; L130-L154 HydrophobicContact CG-CD1 4.17Å; L130-L154 HydrophobicContact CG-CD2 3.89Å; L130-L154 HydrophobicContact CG-CG 4.07Å; L130-C194 HydrophobicContact CD1-CB 4.29Å; L130-C194 VanDerWaalsContact CD1-SG 3.5Å; L130-F211 HydrophobicContact CD1-CB 4.37Å; L130-F211 HydrophobicContact CD1-CD2 3.85Å; L130-F211 HydrophobicContact CD1-CG 4.44Å; L130-Q212 WeakPolarHBondContact CA-O 3.45Å; L130-V213 HydrophobicContact CD2-CB 4.29Å; L130-V213 HydrophobicContact CD2-CG2 3.73Å; L130-M232 HydrophobicContact CD1-CE 4.26Å; L130-M232 HydrophobicContact CD2-CE 4.19Å |
| 131 | I | 97.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 162.7 | 169.4 | 66.6 | 174.5 | 0 | 0 | 0 | 111.7 | K136 Q137 F211 Q212 V214 V221 V228 | I131-K136 WeakPolarHBondContact CB-O 3.24Å; I131-K136 HydrophobicContact CD1-CB 4.28Å; I131-K136 HydrophobicContact CD1-CD 3.89Å; I131-K136 WeakPolarHBondContact CG2-O 3.27Å; I131-Q137 CarbonylContact C-O 3.55Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.33Å; I131-F211 CarbonylContact O-C 3.58Å; I131-F211 VanDerWaalsContact O-CA 3.24Å; I131-F211 WeakPolarHBondContact O-CA 3.3Å; I131-Q212 HydrophobicContact CD1-CB 4.49Å; I131-Q212 HydrophobicContact CG1-CB 3.98Å; I131-Q212 PolarHBondContact N-O 3.01Å; I131-Q212 PolarHBondContact O-N 2.92Å; I131-V214 HydrophobicContact CB-CG2 4.1Å; I131-V214 HydrophobicContact CD1-CG2 3.49Å; I131-V214 VanDerWaalsContact CD1-CG2 3.49Å; I131-V214 HydrophobicContact CG1-CG2 3.61Å; I131-V214 HydrophobicContact CG2-CB 4.45Å; I131-V214 HydrophobicContact CG2-CG2 3.48Å; I131-V214 VanDerWaalsContact CG2-CG2 3.48Å; I131-V221 HydrophobicContact CG2-CB 3.95Å; I131-V221 HydrophobicContact CG2-CG1 4.08Å; I131-V221 HydrophobicContact CG2-CG2 3.99Å; I131-V228 HydrophobicContact CD1-CG1 4.09Å |
| 132 | D | 96.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.3 | 167.9 | -161.4 | -72.7 | 0 | 0 | 0 | 111 | M134 T135 K136 Q137 I139 R209 | D132-M134 PolarHBondContact O-N 3.46Å; D132-M134 PolarHBondContact OD1-N 3.1Å; D132-T135 WeakPolarHBondContact CB-OG1 3.26Å; D132-T135 PolarHBondContact OD1-N 3.13Å; D132-K136 VanDerWaalsContact O-CA 3.3Å; D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 PolarHBondContact O-N 3.45Å; D132-Q137 PolarHBondContact N-O 3.44Å; D132-I139 HydrophobicContact CB-CD1 3.87Å; D132-R209 WeakPolarHBondContact OD2-CG 3.44Å; D132-R209 IonicContact OD2-CZ 3.72Å; D132-R209 IonicContact OD2-NE 3.95Å; D132-R209 PolarHBondContact OD2-NE 3Å; D132-R209 IonicContact OD2-NH2 2.77Å; D132-R209 PolarHBondContact OD2-NH2 3.45Å |
| 133 | S | 95.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.1 | 179.9 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | K136 R210 N231 | S133-K136 PolarHBondContact O-NZ 3.26Å; S133-R210 WeakPolarHBondContact CB-O 3.48Å; S133-R210 PolarHBondContact N-O 3.11Å; S133-R210 PolarHBondContact OG-O 2.83Å; S133-N231 WeakPolarHBondContact CB-OD1 3.45Å |
| 134 | M | 93.6 | Very high | 95 | Very high | 153 Ų | 153 | 45.9 Ų | 45.9 | 75% | 0.754 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -53.7 | -176.5 | -64.2 | -55.1 | -69.1 | 0 | 0 | 112.1 | D132 | D132-M134 PolarHBondContact O-N 3.46Å; D132-M134 PolarHBondContact OD1-N 3.1Å |
| 135 | T | 94.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 55% | 0.546 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.7 | -173.9 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | D132 Q137 | D132-T135 WeakPolarHBondContact CB-OG1 3.26Å; D132-T135 PolarHBondContact OD1-N 3.13Å; T135-Q137 PolarHBondContact O-N 2.68Å |
| 136 | K | 94.7 | Very high | 94.4 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | trans | 58.5 | -0.8 | -173.2 | -51.2 | -51.1 | -172.6 | -163.6 | 0 | 116.1 | I131 D132 S133 | I131-K136 WeakPolarHBondContact CB-O 3.24Å; I131-K136 HydrophobicContact CD1-CB 4.28Å; I131-K136 HydrophobicContact CD1-CD 3.89Å; I131-K136 WeakPolarHBondContact CG2-O 3.27Å; D132-K136 VanDerWaalsContact O-CA 3.3Å; D132-K136 WeakPolarHBondContact O-CA 3.35Å; D132-K136 PolarHBondContact O-N 3.45Å; S133-K136 PolarHBondContact O-NZ 3.26Å | ||
| 137 | Q | 94.2 | Very high | 94 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 38% | 0.379 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 149.5 | 175.3 | -72.8 | -64.5 | -35.8 | 0 | 0 | 112 | I131 D132 T135 I139 E222 | I131-Q137 CarbonylContact C-O 3.55Å; I131-Q137 VanDerWaalsContact CA-O 3.3Å; I131-Q137 WeakPolarHBondContact CA-O 3.33Å; D132-Q137 PolarHBondContact N-O 3.44Å; T135-Q137 PolarHBondContact O-N 2.68Å; Q137-I139 PolarHBondContact O-N 2.91Å; Q137-E222 PolarHBondContact NE2-OE1 2.77Å |
| 138 | A | 94.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 135.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | T104 V140 V221 | T104-A138 HydrophobicContact CG2-CB 3.94Å; A138-V140 PolarHBondContact O-N 3.24Å; A138-V221 HydrophobicContact CB-CG2 4.13Å |
| 139 | I | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 127.8 | 174.8 | -59.1 | -54.5 | 0 | 0 | 0 | 109.4 | N106 L130 D132 Q137 V153 Q196 F211 | N106-I139 WeakPolarHBondContact CB-O 3.37Å; N106-I139 PolarHBondContact ND2-N 3.35Å; N106-I139 VanDerWaalsContact ND2-N 3.17Å; N106-I139 PolarHBondContact ND2-O 3.1Å; L130-I139 HydrophobicContact CB-CB 4.31Å; L130-I139 HydrophobicContact CB-CG1 3.98Å; L130-I139 PolarHBondContact O-N 3Å; D132-I139 HydrophobicContact CB-CD1 3.87Å; Q137-I139 PolarHBondContact O-N 2.91Å; I139-V153 HydrophobicContact CB-CG1 4.29Å; I139-V153 HydrophobicContact CB-CG2 4.5Å; I139-V153 HydrophobicContact CG2-CG1 4.05Å; I139-V153 HydrophobicContact CG2-CG2 4.03Å; I139-Q196 HydrophobicContact CG2-CB 4.37Å; I139-Q196 HydrophobicContact CG2-CG 3.77Å; I139-F211 HydrophobicContact CD1-CD1 3.4Å; I139-F211 HydrophobicContact CD1-CE1 3.37Å; I139-F211 HydrophobicContact CD1-CG 4.32Å; I139-F211 HydrophobicContact CD1-CZ 4.26Å; I139-F211 HydrophobicContact CG1-CD1 3.63Å; I139-F211 HydrophobicContact CG1-CE1 3.77Å; I139-F211 HydrophobicContact CG1-CG 4.08Å; I139-F211 HydrophobicContact CG1-CZ 4.28Å; I139-F211 HydrophobicContact CG2-CE1 4.07Å; I139-F211 HydrophobicContact CG2-CE2 4.35Å; I139-F211 HydrophobicContact CG2-CZ 3.86Å |
| 140 | V | 95.4 | Very high | 92.7 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 140.1 | 171 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | T104 A138 E142 | T104-V140 HydrophobicContact CG2-CG2 4.23Å; A138-V140 PolarHBondContact O-N 3.24Å; V140-E142 HydrophobicContact CG1-CG 4.38Å; V140-E142 PolarHBondContact O-N 3.29Å |
| 141 | Y | 95.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 69.3 Ų | 69.3 | 9% | 0.09 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 118.8 | 166.9 | -178.3 | -99.7 | 0 | 0 | 0 | 110.4 | T104 G143 C151 R152 N195 | T104-Y141 PolarHBondContact O-N 2.92Å; Y141-G143 WeakPolarHBondContact CE1-O 3.4Å; Y141-G143 VanDerWaalsContact CZ-CA 3.48Å; Y141-C151 VanDerWaalsContact CD1-C 3.48Å; Y141-C151 HydrophobicContact CD1-CB 4.08Å; Y141-C151 WeakPolarHBondContact CD1-O 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.71Å; Y141-R152 WeakPolarHBondContact CD2-O 3.5Å; Y141-R152 WeakPolarHBondContact CE2-O 3.13Å; Y141-N195 HydrophobicContact CE2-CB 4.44Å |
| 142 | E | 92.6 | Very high | 92.4 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | trans | -115.8 | 9.6 | -176.9 | -59.4 | 179.5 | -143.1 | 0 | 0 | 112.4 | V140 K200 R209 | V140-E142 HydrophobicContact CG1-CG 4.38Å; V140-E142 PolarHBondContact O-N 3.29Å; E142-K200 WeakPolarHBondContact OE1-CE 2.94Å; E142-K200 IonicContact OE1-NZ 3.72Å; E142-K200 PolarHBondContact OE1-NZ 3.31Å; E142-K200 VanDerWaalsContact OE2-CD 3.24Å; E142-K200 WeakPolarHBondContact OE2-CD 3.4Å; E142-K200 WeakPolarHBondContact OE2-CE 3.36Å; E142-K200 IonicContact OE2-NZ 2.67Å; E142-K200 PolarHBondContact OE2-NZ 2.79Å; E142-R209 IonicContact OE1-NH1 2.74Å | ||
| 143 | G | 88.3 | Confident | 92.5 | Very high | 28 Ų | 28 | 69.5 Ų | 69.5 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | trans | -75.7 | 151.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y141 | Y141-G143 WeakPolarHBondContact CE1-O 3.4Å; Y141-G143 VanDerWaalsContact CZ-CA 3.48Å | ||
| 144 | Q | 87.2 | Confident | 92.6 | Very high | 206 Ų | 206 | 69 Ų | 69 | 96% | 0.963 | 35% | 0.353 | S | S | * | . | trans | -105.3 | 98.6 | 167 | -66.8 | -179.8 | -3.1 | 0 | 0 | 108.2 | ||||
| 145 | D | 89.1 | Confident | 92.7 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -108.7 | 157.3 | 169.4 | -152.5 | -55.6 | 0 | 0 | 0 | 109.8 | N147 M150 | D145-N147 PolarHBondContact OD1-N 3.25Å; D145-M150 HydrophobicContact CB-CB 4.09Å; D145-M150 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 146 | K | 91.3 | Very high | 92.9 | Very high | 211 Ų | 211 | 57.5 Ų | 57.5 | 92% | 0.917 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -88.7 | -23.9 | 175.1 | -66.7 | -173.7 | 178.4 | -175.5 | 0 | 112.2 | ||
| 147 | N | 88 | Confident | 92.9 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -90.6 | 117 | 173.2 | -178.5 | 0.1 | 0 | 0 | 0 | 109.5 | D145 E149 M150 | D145-N147 PolarHBondContact OD1-N 3.25Å; N147-E149 PolarHBondContact O-N 3.1Å; N147-E149 WeakPolarHBondContact OD1-CB 3.45Å; N147-E149 PolarHBondContact OD1-N 2.77Å; N147-M150 HydrophobicContact CB-CB 4.28Å; N147-M150 HydrophobicContact CB-CG 3.88Å; N147-M150 WeakPolarHBondContact O-CB 3.47Å; N147-M150 PolarHBondContact O-N 2.94Å |
| 148 | P | 88.6 | Confident | 92.9 | Very high | 99 Ų | 99 | 51 Ų | 51 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.3 | 176.9 | 25.4 | -35 | 0 | 0 | 0 | 113.3 | M150 C151 | P148-M150 PolarHBondContact O-N 2.92Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 3.14Å; P148-C151 VanDerWaalsContact O-N 3.13Å |
| 149 | E | 87.2 | Confident | 92.8 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -70.5 | -18.7 | 177.6 | -57.5 | -174.8 | 134.5 | 0 | 0 | 113.2 | N147 R152 L155 I159 | N147-E149 PolarHBondContact O-N 3.1Å; N147-E149 WeakPolarHBondContact OD1-CB 3.45Å; N147-E149 PolarHBondContact OD1-N 2.77Å; E149-R152 PolarHBondContact O-NH1 3.46Å; E149-L155 WeakPolarHBondContact O-CD2 3.35Å; E149-I159 HydrophobicContact CB-CD1 4.25Å; E149-I159 HydrophobicContact CB-CG1 4.14Å; E149-I159 HydrophobicContact CG-CD1 4.37Å |
| 150 | M | 89.1 | Confident | 92.6 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -85.9 | -11.6 | 173.9 | -66.9 | -61.3 | -57 | 0 | 0 | 112.8 | D145 N147 P148 R152 L155 M160 N195 | D145-M150 HydrophobicContact CB-CB 4.09Å; D145-M150 WeakPolarHBondContact OD2-CB 3.44Å; N147-M150 HydrophobicContact CB-CB 4.28Å; N147-M150 HydrophobicContact CB-CG 3.88Å; N147-M150 WeakPolarHBondContact O-CB 3.47Å; N147-M150 PolarHBondContact O-N 2.94Å; P148-M150 PolarHBondContact O-N 2.92Å; M150-R152 PolarHBondContact O-N 2.98Å; M150-L155 HydrophobicContact CE-CD1 3.44Å; M150-L155 VanDerWaalsContact CE-CD1 3.44Å; M150-L155 HydrophobicContact SD-CD1 3.94Å; M150-M160 HydrophobicContact CE-CE 3.58Å; M150-M160 HydrophobicContact CE-CG 4.49Å; M150-M160 HydrophobicContact CE-SD 4.16Å; M150-M160 HydrophobicContact SD-CE 4.01Å; M150-M160 HydrophobicContact SD-CG 4.01Å; M150-M160 HydrophobicContact SD-SD 4.44Å; M150-N195 PolarHBondContact O-ND2 3.45Å |
| 151 | C | 94.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | trans | -79.7 | 48.3 | -172 | -68 | 0 | 0 | 0 | 0 | 114.2 | N105 Y141 P148 | N105-C151 VanDerWaalsContact CB-O 3.28Å; N105-C151 WeakPolarHBondContact CB-O 3.32Å; Y141-C151 VanDerWaalsContact CD1-C 3.48Å; Y141-C151 HydrophobicContact CD1-CB 4.08Å; Y141-C151 WeakPolarHBondContact CD1-O 3.46Å; Y141-C151 HydrophobicContact CE1-CB 3.71Å; P148-C151 WeakPolarHBondContact O-CB 3.3Å; P148-C151 PolarHBondContact O-N 3.14Å; P148-C151 VanDerWaalsContact O-N 3.13Å | ||
| 152 | R | 95.6 | Very high | 92.5 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.087 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -132.4 | 151.8 | -173.9 | -58.2 | 177 | 175.4 | 121.9 | -6.7 | 111.3 | E94 N105 Y141 E149 M150 L154 L155 N195 | E94-R152 IonicContact OE1-NH2 3.27Å; E94-R152 PolarHBondContact OE1-NH2 2.88Å; E94-R152 IonicContact OE2-CZ 3.18Å; E94-R152 IonicContact OE2-NE 3.36Å; E94-R152 PolarHBondContact OE2-NE 2.67Å; E94-R152 IonicContact OE2-NH2 2.73Å; E94-R152 PolarHBondContact OE2-NH2 2.88Å; N105-R152 CarbonylContact O-C 3.57Å; N105-R152 VanDerWaalsContact O-CA 3.26Å; N105-R152 WeakPolarHBondContact O-CA 3.43Å; Y141-R152 WeakPolarHBondContact CD2-O 3.5Å; Y141-R152 WeakPolarHBondContact CE2-O 3.13Å; E149-R152 PolarHBondContact O-NH1 3.46Å; M150-R152 PolarHBondContact O-N 2.98Å; R152-L154 WeakPolarHBondContact CB-O 3.41Å; R152-L155 HydrophobicContact CB-CD2 3.91Å; R152-L155 HydrophobicContact CG-CD2 4.35Å; R152-N195 WeakPolarHBondContact O-CB 3.22Å |
| 153 | V | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -69.7 | -41.5 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | N105 N106 L130 I139 C194 N195 Q196 | N105-V153 PolarHBondContact O-N 2.7Å; N106-V153 HydrophobicContact CB-CB 3.71Å; N106-V153 HydrophobicContact CB-CG1 4.4Å; N106-V153 HydrophobicContact CB-CG2 3.64Å; L130-V153 HydrophobicContact CB-CG1 4.16Å; L130-V153 HydrophobicContact CD1-CG1 3.78Å; L130-V153 HydrophobicContact CG-CG1 4.13Å; I139-V153 HydrophobicContact CB-CG1 4.29Å; I139-V153 HydrophobicContact CB-CG2 4.5Å; I139-V153 HydrophobicContact CG2-CG1 4.05Å; I139-V153 HydrophobicContact CG2-CG2 4.03Å; V153-C194 CarbonylContact O-C 3.07Å; V153-C194 WeakPolarHBondContact O-CA 3.41Å; V153-N195 PolarHBondContact O-N 2.95Å; V153-Q196 HydrophobicContact CB-CB 4.46Å; V153-Q196 HydrophobicContact CG1-CB 4.08Å; V153-Q196 HydrophobicContact CG2-CB 4.21Å |
| 154 | L | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.7 | 178.2 | -69.2 | 174.2 | 0 | 0 | 0 | 110.6 | F68 I108 V128 L130 R152 L192 | F68-L154 HydrophobicContact CE1-CD2 4.15Å; F68-L154 HydrophobicContact CZ-CD2 3.99Å; I108-L154 HydrophobicContact CD1-CB 3.89Å; I108-L154 HydrophobicContact CG1-CB 4.24Å; V128-L154 HydrophobicContact CG1-CD1 4.39Å; V128-L154 WeakPolarHBondContact O-CD1 3.48Å; L130-L154 HydrophobicContact CD1-CD2 3.98Å; L130-L154 HydrophobicContact CD1-CG 4.49Å; L130-L154 HydrophobicContact CD2-CD1 4.46Å; L130-L154 HydrophobicContact CD2-CD2 4.19Å; L130-L154 HydrophobicContact CG-CD1 4.17Å; L130-L154 HydrophobicContact CG-CD2 3.89Å; L130-L154 HydrophobicContact CG-CG 4.07Å; R152-L154 WeakPolarHBondContact CB-O 3.41Å; L154-L192 HydrophobicContact CD1-CD1 4.27Å; L154-L192 HydrophobicContact CD2-CD1 4.2Å |
| 155 | L | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.3 | 177.4 | -64.9 | 173.3 | 0 | 0 | 0 | 110.3 | E149 M150 R152 I159 M160 K193 N195 | E149-L155 WeakPolarHBondContact O-CD2 3.35Å; M150-L155 HydrophobicContact CE-CD1 3.44Å; M150-L155 VanDerWaalsContact CE-CD1 3.44Å; M150-L155 HydrophobicContact SD-CD1 3.94Å; R152-L155 HydrophobicContact CB-CD2 3.91Å; R152-L155 HydrophobicContact CG-CD2 4.35Å; L155-I159 HydrophobicContact CD2-CG2 4.17Å; L155-M160 HydrophobicContact CB-CG 4.37Å; L155-M160 HydrophobicContact CB-SD 4.26Å; L155-M160 HydrophobicContact CD1-CG 4.16Å; L155-M160 HydrophobicContact CD1-SD 3.82Å; L155-K193 PolarHBondContact N-O 3.42Å; L155-K193 PolarHBondContact O-N 3.49Å; L155-N195 HydrophobicContact CD1-CB 3.85Å; L155-N195 HydrophobicContact CG-CB 4.41Å |
| 156 | T | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | trans | -90.9 | 172.4 | 166.3 | 60 | 0 | 0 | 0 | 0 | 110.6 | F89 F92 I108 S178 | F89-T156 HydrophobicContact CD2-CG2 3.79Å; F89-T156 HydrophobicContact CE2-CG2 3.71Å; F92-T156 HydrophobicContact CZ-CG2 4.36Å; I108-T156 HydrophobicContact CD1-CG2 3.91Å; T156-S178 VanDerWaalsContact CB-OG 3.3Å; T156-S178 WeakPolarHBondContact CB-OG 3.26Å; T156-S178 PolarHBondContact OG1-OG 3.46Å | ||
| 157 | H | 95.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -67.6 | -39.7 | 174.9 | 175.9 | 68.9 | 0 | 0 | 0 | 112.6 | F67 I159 M160 C161 C170 N172 T176 | F67-H157 HydrophobicContact CE1-CB 4.02Å; F67-H157 HydrophobicContact CZ-CB 3.93Å; F67-H157 AromaticContact CZ-ND1 3.97Å; H157-I159 PolarHBondContact O-N 3.06Å; H157-M160 WeakPolarHBondContact O-CB 3.43Å; H157-M160 PolarHBondContact O-N 3.36Å; H157-M160 VanDerWaalsContact O-N 3.08Å; H157-C161 WeakPolarHBondContact NE2-CB 3.16Å; H157-C161 WeakPolarHBondContact O-CB 3.26Å; H157-C161 PolarHBondContact O-N 3.32Å; H157-C170 PolarHBondContact NE2-SG 3.3Å; H157-C170 VanDerWaalsContact NE2-SG 3.39Å; H157-N172 WeakPolarHBondContact CE1-CB 3.28Å; H157-T176 WeakPolarHBondContact CB-O 3.43Å |
| 158 | E | 94.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -71.3 | -39.8 | -164 | -63.2 | 173.8 | -151.1 | 0 | 0 | 112.2 | M160 C161 C164 C165 R173 S178 | E158-M160 PolarHBondContact O-N 2.86Å; E158-C161 PolarHBondContact O-N 2.74Å; E158-C161 VanDerWaalsContact O-N 3.13Å; E158-C164 HydrophobicContact CB-CB 3.75Å; E158-C164 HydrophobicContact CG-CB 3.95Å; E158-C165 PolarHBondContact O-SG 2.88Å; E158-R173 VanDerWaalsContact CD-CZ 3.45Å; E158-R173 VanDerWaalsContact CD-NH2 3.28Å; E158-R173 HydrophobicContact CG-CG 4.13Å; E158-R173 IonicContact OE1-CZ 3.77Å; E158-R173 IonicContact OE1-NE 3.71Å; E158-R173 PolarHBondContact OE1-NE 2.81Å; E158-R173 IonicContact OE1-NH2 3.15Å; E158-R173 PolarHBondContact OE1-NH2 2.87Å; E158-R173 IonicContact OE2-CZ 3.59Å; E158-R173 IonicContact OE2-NE 2.77Å; E158-R173 PolarHBondContact OE2-NE 3.31Å; E158-R173 IonicContact OE2-NH2 3.77Å; E158-R173 PolarHBondContact OE2-NH2 3.02Å; E158-S178 WeakPolarHBondContact CB-OG 3.48Å; E158-S178 VanDerWaalsContact CG-OG 3.27Å; E158-S178 WeakPolarHBondContact CG-OG 3.49Å; E158-S178 WeakPolarHBondContact OE1-CB 3.21Å; E158-S178 PolarHBondContact OE1-N 3.05Å; E158-S178 PolarHBondContact OE1-OG 2.85Å |
| 159 | I | 93.3 | Very high | 94 | Very high | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.195 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.7 | -22.6 | 173.2 | -164.6 | 60.8 | 0 | 0 | 0 | 112.9 | F92 E149 L155 H157 | F92-I159 HydrophobicContact CE2-CB 4.24Å; F92-I159 HydrophobicContact CE2-CG1 4.2Å; F92-I159 HydrophobicContact CE2-CG2 4.18Å; F92-I159 HydrophobicContact CZ-CB 4.31Å; F92-I159 HydrophobicContact CZ-CG2 3.79Å; E149-I159 HydrophobicContact CB-CD1 4.25Å; E149-I159 HydrophobicContact CB-CG1 4.14Å; E149-I159 HydrophobicContact CG-CD1 4.37Å; L155-I159 HydrophobicContact CD2-CG2 4.17Å; H157-I159 PolarHBondContact O-N 3.06Å |
| 160 | M | 91.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 34% | 0.335 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -89.5 | -9 | 177.1 | -69.4 | -160.5 | 63.3 | 0 | 0 | 113.5 | M150 L155 H157 E158 K193 | M150-M160 HydrophobicContact CE-CE 3.58Å; M150-M160 HydrophobicContact CE-CG 4.49Å; M150-M160 HydrophobicContact CE-SD 4.16Å; M150-M160 HydrophobicContact SD-CE 4.01Å; M150-M160 HydrophobicContact SD-CG 4.01Å; M150-M160 HydrophobicContact SD-SD 4.44Å; L155-M160 HydrophobicContact CB-CG 4.37Å; L155-M160 HydrophobicContact CB-SD 4.26Å; L155-M160 HydrophobicContact CD1-CG 4.16Å; L155-M160 HydrophobicContact CD1-SD 3.82Å; H157-M160 WeakPolarHBondContact O-CB 3.43Å; H157-M160 PolarHBondContact O-N 3.36Å; H157-M160 VanDerWaalsContact O-N 3.08Å; E158-M160 PolarHBondContact O-N 2.86Å; M160-K193 HydrophobicContact SD-CD 3.78Å |
| 161 | C | 93.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 12% | 0.122 | 30% | 0.297 | C | S | . | . | trans | -118.3 | 110 | -167.7 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | H157 E158 R163 C164 C165 | H157-C161 WeakPolarHBondContact NE2-CB 3.16Å; H157-C161 WeakPolarHBondContact O-CB 3.26Å; H157-C161 PolarHBondContact O-N 3.32Å; E158-C161 PolarHBondContact O-N 2.74Å; E158-C161 VanDerWaalsContact O-N 3.13Å; C161-R163 PolarHBondContact O-N 2.91Å; C161-R163 VanDerWaalsContact O-N 3.1Å; C161-C164 HydrophobicContact CB-CB 4.02Å; C161-C164 WeakPolarHBondContact O-CA 3.46Å; C161-C164 WeakPolarHBondContact O-CB 3.43Å; C161-C164 PolarHBondContact O-N 2.93Å; C161-C165 PolarHBondContact O-N 2.79Å; C161-C165 PolarHBondContact O-SG 2.87Å | ||
| 162 | S | 93.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -52.1 | -35.9 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | C164 C165 D166 | S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 2.86Å; S162-C165 PolarHBondContact O-N 2.83Å; S162-D166 VanDerWaalsContact O-CB 3.28Å; S162-D166 WeakPolarHBondContact O-CB 3.5Å; S162-D166 PolarHBondContact O-N 3.38Å |
| 163 | R | 95.3 | Very high | 94.6 | Very high | 151 Ų | 151 | 60.4 Ų | 60.4 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 174 | -66.2 | -179.5 | 177.7 | -112.1 | -0.4 | 112.6 | C161 K167 K168 C170 | C161-R163 PolarHBondContact O-N 2.91Å; C161-R163 VanDerWaalsContact O-N 3.1Å; R163-K167 PolarHBondContact O-N 3.41Å; R163-K168 HydrophobicContact CB-CB 4.48Å; R163-K168 WeakPolarHBondContact O-CA 3.49Å; R163-K168 WeakPolarHBondContact O-CB 3.38Å; R163-K168 PolarHBondContact O-N 2.72Å; R163-C170 HydrophobicContact CB-CB 4.15Å |
| 164 | C | 94 | Very high | 94.4 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | E158 C161 S162 D166 K167 | E158-C164 HydrophobicContact CB-CB 3.75Å; E158-C164 HydrophobicContact CG-CB 3.95Å; C161-C164 HydrophobicContact CB-CB 4.02Å; C161-C164 WeakPolarHBondContact O-CA 3.46Å; C161-C164 WeakPolarHBondContact O-CB 3.43Å; C161-C164 PolarHBondContact O-N 2.93Å; S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 2.86Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 3.02Å; C164-K167 WeakPolarHBondContact O-CA 3.46Å; C164-K167 PolarHBondContact O-N 2.8Å |
| 165 | C | 91.8 | Very high | 94.2 | Very high | 72 Ų | 72 | 73 Ų | 73 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 171.9 | -57 | 0 | 0 | 0 | 0 | 111.7 | E158 C161 S162 K167 | E158-C165 PolarHBondContact O-SG 2.88Å; C161-C165 PolarHBondContact O-N 2.79Å; C161-C165 PolarHBondContact O-SG 2.87Å; S162-C165 PolarHBondContact O-N 2.83Å; C165-K167 PolarHBondContact O-N 2.86Å; C165-K167 VanDerWaalsContact O-N 3.15Å |
| 166 | D | 94.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -1.9 | 172.5 | -73.6 | -8.4 | 0 | 0 | 0 | 114.1 | S162 C164 K168 | S162-D166 VanDerWaalsContact O-CB 3.28Å; S162-D166 WeakPolarHBondContact O-CB 3.5Å; S162-D166 PolarHBondContact O-N 3.38Å; C164-D166 VanDerWaalsContact C-N 3.3Å; C164-D166 PolarHBondContact O-N 3.02Å; D166-K168 HydrophobicContact CB-CB 4.44Å; D166-K168 HydrophobicContact CB-CD 3.59Å; D166-K168 HydrophobicContact CB-CG 3.85Å; D166-K168 PolarHBondContact O-N 3.37Å; D166-K168 WeakPolarHBondContact OD2-CE 3.41Å; D166-K168 IonicContact OD2-NZ 2.73Å; D166-K168 PolarHBondContact OD2-NZ 3.21Å |
| 167 | K | 93.9 | Very high | 94.1 | Very high | 195 Ų | 195 | 74.8 Ų | 74.8 | 85% | 0.848 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 25.1 | -172.5 | -56.7 | -178.3 | -179.9 | 179.6 | 0 | 114.4 | R163 C164 C165 | R163-K167 PolarHBondContact O-N 3.41Å; C164-K167 WeakPolarHBondContact O-CA 3.46Å; C164-K167 PolarHBondContact O-N 2.8Å; C165-K167 PolarHBondContact O-N 2.86Å; C165-K167 VanDerWaalsContact O-N 3.15Å |
| 168 | K | 94.9 | Very high | 94.2 | Very high | 123 Ų | 123 | 74.1 Ų | 74.1 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | trans | -86.6 | 159.6 | 176.1 | -65.4 | 165.2 | -173.1 | 160.1 | 0 | 110.7 | R163 D166 | R163-K168 HydrophobicContact CB-CB 4.48Å; R163-K168 WeakPolarHBondContact O-CA 3.49Å; R163-K168 WeakPolarHBondContact O-CB 3.38Å; R163-K168 PolarHBondContact O-N 2.72Å; D166-K168 HydrophobicContact CB-CB 4.44Å; D166-K168 HydrophobicContact CB-CD 3.59Å; D166-K168 HydrophobicContact CB-CG 3.85Å; D166-K168 PolarHBondContact O-N 3.37Å; D166-K168 WeakPolarHBondContact OD2-CE 3.41Å; D166-K168 IonicContact OD2-NZ 2.73Å; D166-K168 PolarHBondContact OD2-NZ 3.21Å | ||
| 169 | S | 93.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 75 Ų | 75 | 78% | 0.776 | 40% | 0.399 | S | S | * | . | trans | -63.3 | 136 | 174.2 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 170 | C | 95.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | trans | -139.3 | 121.7 | -179 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | H157 R163 N172 R173 | H157-C170 PolarHBondContact NE2-SG 3.3Å; H157-C170 VanDerWaalsContact NE2-SG 3.39Å; R163-C170 HydrophobicContact CB-CB 4.15Å; C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 3.13Å; C170-R173 HydrophobicContact CB-CB 4.12Å; C170-R173 WeakPolarHBondContact O-CB 3.39Å; C170-R173 PolarHBondContact O-N 3.31Å; C170-R173 VanDerWaalsContact O-N 3.1Å | ||
| 171 | G | 94.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 54% | 0.536 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | R173 N174 E175 | G171-R173 PolarHBondContact O-N 3.26Å; G171-N174 VanDerWaalsContact O-CB 3.32Å; G171-N174 WeakPolarHBondContact O-CB 3.38Å; G171-N174 PolarHBondContact O-N 3.19Å; G171-E175 PolarHBondContact O-N 2.95Å |
| 172 | N | 93.7 | Very high | 95 | Very high | 83 Ų | 83 | 74.7 Ų | 74.7 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.2 | -16.8 | 178.2 | -59.8 | 108.8 | 0 | 0 | 0 | 113.4 | H157 C170 N174 E175 T176 | H157-N172 WeakPolarHBondContact CE1-CB 3.28Å; C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 3.13Å; N172-N174 VanDerWaalsContact C-N 3.27Å; N172-E175 PolarHBondContact ND2-OE2 2.72Å; N172-E175 PolarHBondContact O-N 3.13Å; N172-T176 PolarHBondContact O-N 3.36Å; N172-T176 PolarHBondContact O-OG1 3.27Å |
| 173 | R | 94.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 73.2 Ų | 73.2 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.9 | -29.8 | 168.4 | -166.6 | -176.6 | -174.6 | -176.6 | 8.8 | 111.5 | E158 C170 G171 T176 P177 | E158-R173 VanDerWaalsContact CD-CZ 3.45Å; E158-R173 VanDerWaalsContact CD-NH2 3.28Å; E158-R173 HydrophobicContact CG-CG 4.13Å; E158-R173 IonicContact OE1-CZ 3.77Å; E158-R173 IonicContact OE1-NE 3.71Å; E158-R173 PolarHBondContact OE1-NE 2.81Å; E158-R173 IonicContact OE1-NH2 3.15Å; E158-R173 PolarHBondContact OE1-NH2 2.87Å; E158-R173 IonicContact OE2-CZ 3.59Å; E158-R173 IonicContact OE2-NE 2.77Å; E158-R173 PolarHBondContact OE2-NE 3.31Å; E158-R173 IonicContact OE2-NH2 3.77Å; E158-R173 PolarHBondContact OE2-NH2 3.02Å; C170-R173 HydrophobicContact CB-CB 4.12Å; C170-R173 WeakPolarHBondContact O-CB 3.39Å; C170-R173 PolarHBondContact O-N 3.31Å; C170-R173 VanDerWaalsContact O-N 3.1Å; G171-R173 PolarHBondContact O-N 3.26Å; R173-T176 CarbonylContact O-C 3.48Å; R173-P177 VanDerWaalsContact O-CA 3.25Å; R173-P177 WeakPolarHBondContact O-CA 3.34Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å |
| 174 | N | 92.5 | Very high | 95.2 | Very high | 141 Ų | 141 | 72 Ų | 72 | 75% | 0.754 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -75.7 | -31.3 | 177.4 | -54.9 | -7.7 | 0 | 0 | 0 | 111.7 | G171 N172 | G171-N174 VanDerWaalsContact O-CB 3.32Å; G171-N174 WeakPolarHBondContact O-CB 3.38Å; G171-N174 PolarHBondContact O-N 3.19Å; N172-N174 VanDerWaalsContact C-N 3.27Å |
| 175 | E | 93.6 | Very high | 95.2 | Very high | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -81.4 | -36.5 | 176.4 | -61.3 | 179.9 | 144.9 | 0 | 0 | 112.9 | G171 N172 F191 | G171-E175 PolarHBondContact O-N 2.95Å; N172-E175 PolarHBondContact ND2-OE2 2.72Å; N172-E175 PolarHBondContact O-N 3.13Å; E175-F191 WeakPolarHBondContact O-CE1 3.15Å |
| 176 | T | 95.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 78.4 Ų | 78.4 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -139.8 | 73.4 | -175.7 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | F67 H157 N172 R173 F191 | F67-T176 HydrophobicContact CB-CG2 4.15Å; F67-T176 HydrophobicContact CD1-CG2 4.33Å; F67-T176 HydrophobicContact CD2-CG2 4.37Å; F67-T176 HydrophobicContact CG-CG2 4.02Å; H157-T176 WeakPolarHBondContact CB-O 3.43Å; N172-T176 PolarHBondContact O-N 3.36Å; N172-T176 PolarHBondContact O-OG1 3.27Å; R173-T176 CarbonylContact O-C 3.48Å; T176-F191 HydrophobicContact CG2-CB 4.32Å; T176-F191 HydrophobicContact CG2-CD1 3.89Å; T176-F191 HydrophobicContact CG2-CG 4.42Å |
| 177 | P | 96.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 77.1 Ų | 77.1 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | trans | -66.6 | 156.7 | 175.3 | 26.8 | -34.2 | 0 | 0 | 0 | 111.6 | R173 V181 F191 | R173-P177 VanDerWaalsContact O-CA 3.25Å; R173-P177 WeakPolarHBondContact O-CA 3.34Å; R173-P177 WeakPolarHBondContact O-CB 3.39Å; R173-P177 WeakPolarHBondContact O-CD 3.33Å; P177-V181 HydrophobicContact CG-CG2 3.62Å; P177-F191 HydrophobicContact CG-CD2 4.05Å; P177-F191 HydrophobicContact CG-CE2 4.21Å | ||
| 178 | S | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -66.4 | -41.9 | 166.2 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | Y110 T156 E158 | Y110-S178 WeakPolarHBondContact CE1-O 3.42Å; T156-S178 VanDerWaalsContact CB-OG 3.3Å; T156-S178 WeakPolarHBondContact CB-OG 3.26Å; T156-S178 PolarHBondContact OG1-OG 3.46Å; E158-S178 WeakPolarHBondContact CB-OG 3.48Å; E158-S178 VanDerWaalsContact CG-OG 3.27Å; E158-S178 WeakPolarHBondContact CG-OG 3.49Å; E158-S178 WeakPolarHBondContact OE1-CB 3.21Å; E158-S178 PolarHBondContact OE1-N 3.05Å; E158-S178 PolarHBondContact OE1-OG 2.85Å |
| 179 | D | 97.3 | Very high | 96 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -71 | 132.7 | -178.4 | -55.2 | -55.8 | 0 | 0 | 0 | 111.3 | T88 F89 V181 | T88-D179 WeakPolarHBondContact CA-OD1 3.48Å; F89-D179 PolarHBondContact N-OD1 2.9Å; D179-V181 PolarHBondContact O-N 2.8Å |
| 180 | P | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -61 | 131.6 | 176.7 | -23.2 | 32.8 | 0 | 0 | 0 | 111.5 | T87 Y110 L188 F190 | T87-P180 VanDerWaalsContact CB-O 3.28Å; T87-P180 WeakPolarHBondContact CB-O 3.14Å; T87-P180 HydrophobicContact CG2-CB 4.04Å; T87-P180 WeakPolarHBondContact CG2-O 3.45Å; T87-P180 PolarHBondContact OG1-O 3Å; Y110-P180 VanDerWaalsContact CD1-CD 3.5Å; Y110-P180 HydrophobicContact CD1-CG 3.53Å; Y110-P180 VanDerWaalsContact CE1-CD 3.5Å; Y110-P180 HydrophobicContact CE1-CG 3.6Å; Y110-P180 HydrophobicContact CG-CG 4.03Å; P180-L188 HydrophobicContact CB-CD2 4.31Å; P180-F190 HydrophobicContact CB-CD1 4Å; P180-F190 HydrophobicContact CB-CE1 3.86Å; P180-F190 HydrophobicContact CB-CG 4.42Å; P180-F190 HydrophobicContact CB-CZ 4.15Å; P180-F190 HydrophobicContact CG-CD1 3.66Å; P180-F190 HydrophobicContact CG-CE1 3.42Å; P180-F190 VanDerWaalsContact CG-CE1 3.42Å; P180-F190 HydrophobicContact CG-CZ 4.12Å |
| 181 | V | 97.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | P177 D179 I183 K189 F191 | P177-V181 HydrophobicContact CG-CG2 3.62Å; D179-V181 PolarHBondContact O-N 2.8Å; V181-I183 HydrophobicContact CG1-CG1 4.3Å; V181-K189 HydrophobicContact CB-CB 4.43Å; V181-K189 PolarHBondContact N-O 2.93Å; V181-K189 PolarHBondContact O-N 2.87Å; V181-F191 HydrophobicContact CB-CE2 4.27Å; V181-F191 HydrophobicContact CG2-CD2 4.48Å; V181-F191 HydrophobicContact CG2-CE2 3.78Å |
| 182 | I | 97.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.7 | 173.5 | -55.9 | 163.6 | 0 | 0 | 0 | 108.7 | I84 T87 F187 L188 | I84-I182 HydrophobicContact CG2-CD1 4.23Å; I84-I182 HydrophobicContact CG2-CG1 4.25Å; T87-I182 HydrophobicContact CG2-CD1 4.1Å; T87-I182 HydrophobicContact CG2-CG1 3.77Å; I182-F187 CarbonylContact C-O 3.48Å; I182-F187 WeakPolarHBondContact CA-O 3.38Å; I182-L188 HydrophobicContact CG1-CD2 3.84Å |
| 183 | I | 96.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.1 | 176.4 | -58.6 | 174.3 | 0 | 0 | 0 | 107.3 | V181 R185 F186 F187 K189 | V181-I183 HydrophobicContact CG1-CG1 4.3Å; I183-R185 PolarHBondContact O-N 3.5Å; I183-F186 PolarHBondContact O-N 2.78Å; I183-F187 HydrophobicContact CB-CB 4.19Å; I183-F187 PolarHBondContact N-O 3.16Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.24Å; I183-F187 PolarHBondContact O-N 2.85Å; I183-K189 HydrophobicContact CD1-CB 3.84Å; I183-K189 HydrophobicContact CD1-CD 3.89Å |
| 184 | D | 95.4 | Very high | 96.8 | Very high | 125 Ų | 125 | 50 Ų | 50 | 67% | 0.668 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 33.6 | 178.9 | -50.2 | -33.9 | 0 | 0 | 0 | 114.5 | F186 F187 | D184-F186 VanDerWaalsContact O-CD2 3.29Å; D184-F186 WeakPolarHBondContact O-CD2 3.45Å; D184-F186 PolarHBondContact O-N 3.45Å; D184-F187 HydrophobicContact CB-CD2 4.09Å; D184-F187 HydrophobicContact CB-CE2 4.24Å |
| 185 | R | 95.1 | Very high | 97 | Very high | 155 Ų | 155 | 43.7 Ų | 43.7 | 59% | 0.585 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | -29.9 | -175.3 | -49.1 | -168.5 | -171.8 | 178 | 1.8 | 117.6 | E83 I84 I183 | E83-R185 HydrophobicContact CG-CB 4.32Å; E83-R185 IonicContact OE1-NH1 3.74Å; E83-R185 WeakPolarHBondContact OE2-CD 3.07Å; E83-R185 IonicContact OE2-CZ 3.69Å; E83-R185 IonicContact OE2-NE 2.72Å; E83-R185 IonicContact OE2-NH1 2.79Å; E83-R185 PolarHBondContact OE2-NH1 3.29Å; I84-R185 WeakPolarHBondContact CB-O 3.4Å; I84-R185 PolarHBondContact N-O 3.25Å; I183-R185 PolarHBondContact O-N 3.5Å |
| 186 | F | 96.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 38.3 Ų | 38.3 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -13.4 | -173.5 | -65.4 | -76.5 | 0 | 0 | 0 | 114.2 | P81 V82 E83 I183 D184 | P81-F186 HydrophobicContact CB-CD1 3.74Å; P81-F186 HydrophobicContact CB-CE1 3.95Å; P81-F186 HydrophobicContact CG-CD1 4.38Å; P81-F186 HydrophobicContact CG-CE1 4.12Å; V82-F186 WeakPolarHBondContact O-CD1 3.25Å; E83-F186 HydrophobicContact CB-CE1 4.26Å; E83-F186 HydrophobicContact CG-CD1 4.03Å; E83-F186 HydrophobicContact CG-CE1 3.32Å; E83-F186 HydrophobicContact CG-CE2 4.14Å; E83-F186 HydrophobicContact CG-CZ 3.37Å; I183-F186 PolarHBondContact O-N 2.78Å; D184-F186 VanDerWaalsContact O-CD2 3.29Å; D184-F186 WeakPolarHBondContact O-CD2 3.45Å; D184-F186 PolarHBondContact O-N 3.45Å |
| 187 | F | 98 | Very high | 97.1 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.4 | -173 | -51.2 | -65.2 | 0 | 0 | 0 | 112.8 | E55 V71 L72 A73 I182 I183 D184 | E55-F187 HydrophobicContact CG-CD1 3.82Å; E55-F187 HydrophobicContact CG-CE1 3.8Å; V71-F187 HydrophobicContact CG1-CB 3.84Å; L72-F187 CarbonylContact O-C 3.59Å; L72-F187 VanDerWaalsContact O-CA 3.26Å; L72-F187 WeakPolarHBondContact O-CA 3.39Å; A73-F187 HydrophobicContact CB-CD1 3.94Å; A73-F187 HydrophobicContact CB-CE1 4.02Å; I182-F187 CarbonylContact C-O 3.48Å; I182-F187 WeakPolarHBondContact CA-O 3.38Å; I183-F187 HydrophobicContact CB-CB 4.19Å; I183-F187 PolarHBondContact N-O 3.16Å; I183-F187 WeakPolarHBondContact O-CB 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.24Å; I183-F187 PolarHBondContact O-N 2.85Å; D184-F187 HydrophobicContact CB-CD2 4.09Å; D184-F187 HydrophobicContact CB-CE2 4.24Å |
| 188 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.6 | 173.9 | -69.9 | -177 | 0 | 0 | 0 | 112.1 | V71 L72 L74 I84 T87 L112 P180 I182 F190 | V71-L188 CarbonylContact C-O 3.47Å; V71-L188 VanDerWaalsContact CA-O 3.26Å; V71-L188 WeakPolarHBondContact CA-O 3.07Å; L72-L188 PolarHBondContact N-O 2.83Å; L72-L188 PolarHBondContact O-N 3.22Å; L74-L188 HydrophobicContact CD1-CD1 4.24Å; I84-L188 HydrophobicContact CD1-CD1 3.9Å; I84-L188 HydrophobicContact CD1-CD2 3.88Å; I84-L188 HydrophobicContact CD1-CG 3.51Å; I84-L188 HydrophobicContact CG2-CD2 4.09Å; T87-L188 HydrophobicContact CG2-CD1 4.43Å; T87-L188 HydrophobicContact CG2-CD2 3.4Å; T87-L188 VanDerWaalsContact CG2-CD2 3.4Å; L112-L188 HydrophobicContact CD1-CD1 3.73Å; L112-L188 HydrophobicContact CD2-CD1 3.71Å; L112-L188 HydrophobicContact CG-CD1 4.41Å; P180-L188 HydrophobicContact CB-CD2 4.31Å; I182-L188 HydrophobicContact CG1-CD2 3.84Å; L188-F190 HydrophobicContact CB-CD2 4.25Å; L188-F190 HydrophobicContact CB-CE2 3.49Å; L188-F190 VanDerWaalsContact CB-CE2 3.49Å; L188-F190 HydrophobicContact CB-CZ 4.03Å; L188-F190 HydrophobicContact CD1-CE2 4.2Å; L188-F190 HydrophobicContact CD1-CZ 3.91Å |
| 189 | K | 98.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 40.4 Ų | 40.4 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.2 | 173.8 | -174.5 | 179.7 | 177.3 | -167.5 | 0 | 111 | F70 V71 V181 I183 F191 | F70-K189 WeakPolarHBondContact O-CA 3.3Å; V71-K189 HydrophobicContact CG2-CB 4.08Å; V71-K189 HydrophobicContact CG2-CG 4.04Å; V181-K189 HydrophobicContact CB-CB 4.43Å; V181-K189 PolarHBondContact N-O 2.93Å; V181-K189 PolarHBondContact O-N 2.87Å; I183-K189 HydrophobicContact CD1-CB 3.84Å; I183-K189 HydrophobicContact CD1-CD 3.89Å; K189-F191 HydrophobicContact CD-CE1 4.37Å; K189-F191 HydrophobicContact CD-CE2 3.99Å; K189-F191 HydrophobicContact CD-CZ 3.66Å; K189-F191 HydrophobicContact CG-CE2 3.94Å; K189-F191 HydrophobicContact CG-CZ 4.03Å |
| 190 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143 | 179.9 | -63.8 | -100.4 | 0 | 0 | 0 | 110.7 | H69 F70 L72 Y110 L126 V128 P180 L188 | H69-F190 WeakPolarHBondContact CA-O 3.12Å; H69-F190 WeakPolarHBondContact CB-O 3.32Å; F70-F190 HydrophobicContact CD1-CB 4.39Å; F70-F190 HydrophobicContact CD2-CB 4.41Å; F70-F190 AromaticContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CD2 3.9Å; F70-F190 HydrophobicContact CD2-CG 4.45Å; F70-F190 HydrophobicContact CE1-CB 3.86Å; F70-F190 HydrophobicContact CE1-CG 4.4Å; F70-F190 HydrophobicContact CE2-CB 3.9Å; F70-F190 AromaticContact CE2-CD2 3.28Å; F70-F190 HydrophobicContact CE2-CD2 3.28Å; F70-F190 AromaticContact CE2-CE2 3.92Å; F70-F190 HydrophobicContact CE2-CE2 3.92Å; F70-F190 AromaticContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CE2-CG 3.66Å; F70-F190 HydrophobicContact CZ-CB 3.59Å; F70-F190 HydrophobicContact CZ-CD1 4.28Å; F70-F190 AromaticContact CZ-CD2 3.78Å; F70-F190 HydrophobicContact CZ-CD2 3.78Å; F70-F190 AromaticContact CZ-CG 3.62Å; F70-F190 HydrophobicContact CZ-CG 3.62Å; F70-F190 PolarHBondContact O-N 3.43Å; F70-F190 VanDerWaalsContact O-N 3.14Å; L72-F190 HydrophobicContact CB-CE2 4.38Å; L72-F190 HydrophobicContact CD1-CD2 4.38Å; L72-F190 HydrophobicContact CD1-CE2 3.57Å; L72-F190 HydrophobicContact CD1-CZ 4.1Å; L72-F190 HydrophobicContact CG-CD2 4.35Å; L72-F190 HydrophobicContact CG-CE2 3.86Å; Y110-F190 HydrophobicContact CD2-CD1 4.12Å; Y110-F190 AromaticContact CD2-CE1 3.69Å; Y110-F190 HydrophobicContact CD2-CE1 3.69Å; Y110-F190 AromaticContact CE2-CD1 3.59Å; Y110-F190 HydrophobicContact CE2-CD1 3.59Å; Y110-F190 AromaticContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CE2-CE1 3.68Å; Y110-F190 HydrophobicContact CG-CE1 4.21Å; Y110-F190 AromaticContact CZ-CD1 3.87Å; L126-F190 HydrophobicContact CD2-CE1 4.28Å; L126-F190 HydrophobicContact CD2-CZ 3.81Å; V128-F190 HydrophobicContact CG2-CD1 4.28Å; V128-F190 HydrophobicContact CG2-CE1 4.1Å; P180-F190 HydrophobicContact CB-CD1 4Å; P180-F190 HydrophobicContact CB-CE1 3.86Å; P180-F190 HydrophobicContact CB-CG 4.42Å; P180-F190 HydrophobicContact CB-CZ 4.15Å; P180-F190 HydrophobicContact CG-CD1 3.66Å; P180-F190 HydrophobicContact CG-CE1 3.42Å; P180-F190 VanDerWaalsContact CG-CE1 3.42Å; P180-F190 HydrophobicContact CG-CZ 4.12Å; L188-F190 HydrophobicContact CB-CD2 4.25Å; L188-F190 HydrophobicContact CB-CE2 3.49Å; L188-F190 VanDerWaalsContact CB-CE2 3.49Å; L188-F190 HydrophobicContact CB-CZ 4.03Å; L188-F190 HydrophobicContact CD1-CE2 4.2Å; L188-F190 HydrophobicContact CD1-CZ 3.91Å |
| 191 | F | 98.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 102.3 | 178.6 | -65.2 | -91.2 | 0 | 0 | 0 | 110.9 | H69 E175 T176 P177 V181 K189 | H69-F191 HydrophobicContact CB-CD1 4.11Å; H69-F191 HydrophobicContact CB-CE1 4.44Å; E175-F191 WeakPolarHBondContact O-CE1 3.15Å; T176-F191 HydrophobicContact CG2-CB 4.32Å; T176-F191 HydrophobicContact CG2-CD1 3.89Å; T176-F191 HydrophobicContact CG2-CG 4.42Å; P177-F191 HydrophobicContact CG-CD2 4.05Å; P177-F191 HydrophobicContact CG-CE2 4.21Å; V181-F191 HydrophobicContact CB-CE2 4.27Å; V181-F191 HydrophobicContact CG2-CD2 4.48Å; V181-F191 HydrophobicContact CG2-CE2 3.78Å; K189-F191 HydrophobicContact CD-CE1 4.37Å; K189-F191 HydrophobicContact CD-CE2 3.99Å; K189-F191 HydrophobicContact CD-CZ 3.66Å; K189-F191 HydrophobicContact CG-CE2 3.94Å; K189-F191 HydrophobicContact CG-CZ 4.03Å |
| 192 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 161.8 | -170.2 | -61.5 | -170.9 | 0 | 0 | 0 | 111.9 | F67 F68 F70 I108 Y110 V128 L154 | F67-L192 CarbonylContact C-O 3.4Å; F67-L192 VanDerWaalsContact CA-O 3.26Å; F67-L192 WeakPolarHBondContact CA-O 3.19Å; F67-L192 WeakPolarHBondContact CD1-O 3.43Å; F68-L192 HydrophobicContact CD1-CB 4.1Å; F68-L192 WeakPolarHBondContact CD1-O 3.3Å; F68-L192 HydrophobicContact CE1-CB 3.52Å; F68-L192 HydrophobicContact CE2-CB 4.28Å; F68-L192 HydrophobicContact CZ-CB 3.63Å; F68-L192 HydrophobicContact CZ-CD1 4.08Å; F68-L192 HydrophobicContact CZ-CG 4.45Å; F68-L192 PolarHBondContact N-O 2.88Å; F68-L192 PolarHBondContact O-N 3.06Å; F70-L192 HydrophobicContact CE1-CD1 3.93Å; F70-L192 HydrophobicContact CZ-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD1 4.46Å; I108-L192 HydrophobicContact CD1-CD2 3.35Å; I108-L192 HydrophobicContact CD1-CG 4.5Å; Y110-L192 WeakPolarHBondContact OH-CD2 3.34Å; V128-L192 HydrophobicContact CG1-CD1 3.87Å; L154-L192 HydrophobicContact CD1-CD1 4.27Å; L154-L192 HydrophobicContact CD2-CD1 4.2Å |
| 193 | K | 97.3 | Very high | 94.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127 | 169.5 | 174.3 | 159.7 | 166.2 | 173.1 | 0 | 110.1 | K64 S65 F67 L155 M160 | K64-K193 WeakPolarHBondContact O-CE 3.37Å; S65-K193 WeakPolarHBondContact O-CE 3.27Å; S65-K193 PolarHBondContact O-NZ 2.74Å; F67-K193 HydrophobicContact CD1-CB 3.77Å; F67-K193 HydrophobicContact CE1-CB 3.76Å; F67-K193 HydrophobicContact CE1-CD 4.39Å; F67-K193 HydrophobicContact CE2-CD 4.23Å; F67-K193 HydrophobicContact CG-CB 4.34Å; F67-K193 HydrophobicContact CZ-CB 4.33Å; F67-K193 HydrophobicContact CZ-CD 4.13Å; L155-K193 PolarHBondContact N-O 3.42Å; L155-K193 PolarHBondContact O-N 3.49Å; M160-K193 HydrophobicContact SD-CD 3.78Å |
| 194 | C | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.6 | 176 | -174.5 | 0 | 0 | 0 | 0 | 110 | L62 F68 L130 V153 Q196 V234 | L62-C194 HydrophobicContact CD2-CB 4.19Å; F68-C194 HydrophobicContact CE1-CB 4.1Å; L130-C194 HydrophobicContact CD1-CB 4.29Å; L130-C194 VanDerWaalsContact CD1-SG 3.5Å; V153-C194 CarbonylContact O-C 3.07Å; V153-C194 WeakPolarHBondContact O-CA 3.41Å; C194-Q196 PolarHBondContact SG-O 2.88Å; C194-V234 HydrophobicContact CB-CG1 4.2Å; C194-V234 HydrophobicContact CB-CG2 4.23Å |
| 195 | N | 96.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | trans | -96.4 | 3.2 | 178.5 | -163.8 | 31.1 | 0 | 0 | 0 | 112.8 | K64 Y141 M150 R152 V153 L155 | K64-N195 WeakPolarHBondContact CE-O 3.35Å; K64-N195 WeakPolarHBondContact CE-OD1 3.28Å; K64-N195 PolarHBondContact NZ-O 3.04Å; K64-N195 PolarHBondContact NZ-OD1 2.81Å; Y141-N195 HydrophobicContact CE2-CB 4.44Å; M150-N195 PolarHBondContact O-ND2 3.45Å; R152-N195 WeakPolarHBondContact O-CB 3.22Å; V153-N195 PolarHBondContact O-N 2.95Å; L155-N195 HydrophobicContact CD1-CB 3.85Å; L155-N195 HydrophobicContact CG-CB 4.41Å | ||
| 196 | Q | 96.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -102.9 | 135.5 | 171.6 | -175.3 | 51.9 | 48.5 | 0 | 0 | 110.6 | I139 V153 C194 F211 V234 | I139-Q196 HydrophobicContact CG2-CB 4.37Å; I139-Q196 HydrophobicContact CG2-CG 3.77Å; V153-Q196 HydrophobicContact CB-CB 4.46Å; V153-Q196 HydrophobicContact CG1-CB 4.08Å; V153-Q196 HydrophobicContact CG2-CB 4.21Å; C194-Q196 PolarHBondContact SG-O 2.88Å; Q196-F211 HydrophobicContact CB-CE2 4.37Å; Q196-F211 HydrophobicContact CG-CE2 4.28Å; Q196-F211 HydrophobicContact CG-CZ 4.02Å; Q196-V234 VanDerWaalsContact O-CG1 3.28Å; Q196-V234 WeakPolarHBondContact O-CG1 3.32Å |
| 197 | N | 95.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | trans | -83.2 | 148.2 | 169.8 | -68.8 | -34.7 | 0 | 0 | 0 | 109.7 | K64 L199 F211 | K64-N197 WeakPolarHBondContact CD-OD1 3.48Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 WeakPolarHBondContact CB-O 3.28Å; N197-F211 WeakPolarHBondContact O-CZ 3.5Å | ||
| 198 | C | 94.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -65.5 | -36.9 | 167.6 | -65 | 0 | 0 | 0 | 0 | 111.8 | R209 F211 F233 V234 | C198-R209 HydrophobicContact CB-CB 4.38Å; C198-R209 VanDerWaalsContact CB-O 3.31Å; C198-R209 WeakPolarHBondContact CB-O 3.37Å; C198-R209 VanDerWaalsContact O-CD 3.23Å; C198-R209 WeakPolarHBondContact O-CD 3.36Å; C198-F211 HydrophobicContact CB-CE1 4.23Å; C198-F211 HydrophobicContact CB-CZ 4.16Å; C198-F211 VanDerWaalsContact SG-CD2 3.54Å; C198-F211 VanDerWaalsContact SG-CE2 3.55Å; C198-F233 HydrophobicContact CB-CD2 3.91Å; C198-F233 HydrophobicContact CB-CE2 4.01Å; C198-V234 PolarHBondContact N-O 2.99Å; C198-V234 PolarHBondContact SG-N 3.04Å |
| 199 | L | 92.7 | Very high | 90.7 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | trans | -100.1 | 127.4 | 176.5 | -53.4 | -177.4 | 0 | 0 | 0 | 110.6 | N197 P205 D207 F233 | N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 WeakPolarHBondContact CB-O 3.28Å; L199-P205 HydrophobicContact CD1-CB 3.76Å; L199-P205 HydrophobicContact CD1-CG 3.62Å; L199-D207 WeakPolarHBondContact CD2-O 3.16Å; L199-F233 HydrophobicContact CD1-CE2 4.13Å; L199-F233 HydrophobicContact CD1-CZ 3.86Å; L199-F233 HydrophobicContact CD2-CE2 4.29Å; L199-F233 HydrophobicContact CG-CE2 3.91Å; L199-F233 HydrophobicContact CG-CZ 4.09Å | ||
| 200 | K | 88.5 | Confident | 90.6 | Very high | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | trans | -74.6 | -46.2 | -179.5 | -53.2 | -175.6 | -177.4 | -155.1 | 0 | 111.9 | E142 | E142-K200 WeakPolarHBondContact OE1-CE 2.94Å; E142-K200 IonicContact OE1-NZ 3.72Å; E142-K200 PolarHBondContact OE1-NZ 3.31Å; E142-K200 VanDerWaalsContact OE2-CD 3.24Å; E142-K200 WeakPolarHBondContact OE2-CD 3.4Å; E142-K200 WeakPolarHBondContact OE2-CE 3.36Å; E142-K200 IonicContact OE2-NZ 2.67Å; E142-K200 PolarHBondContact OE2-NZ 2.79Å | ||
| 201 | N | 87.3 | Confident | 90.5 | Very high | 144 Ų | 144 | 68.6 Ų | 68.6 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -104.5 | 156.5 | -169.1 | -62.8 | -20.4 | 0 | 0 | 0 | 112.4 | ||
| 202 | A | 86.1 | Confident | 90.5 | Very high | 111 Ų | 111 | 68.8 Ų | 68.8 | 92% | 0.917 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -76.6 | 149.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 203 | G | 85.8 | Confident | 90.5 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 141.8 | -171.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 204 | N | 83.5 | Confident | 90.6 | Very high | 143 Ų | 143 | 67.5 Ų | 67.5 | 77% | 0.765 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -74.7 | 130.6 | 166.7 | -171.4 | 51.2 | 0 | 0 | 0 | 109.2 | R206 | N204-R206 PolarHBondContact O-N 2.97Š|
| 205 | P | 82.3 | Confident | 90.6 | Very high | 69 Ų | 69 | 67.5 Ų | 67.5 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | trans | -56.9 | 126.3 | 176.3 | -23.9 | 34.2 | 0 | 0 | 0 | 111.4 | L199 | L199-P205 HydrophobicContact CD1-CB 3.76Å; L199-P205 HydrophobicContact CD1-CG 3.62Å | ||
| 206 | R | 77.3 | Confident | 90.6 | Very high | 222 Ų | 222 | 67.1 Ų | 67.1 | 84% | 0.838 | 36% | 0.359 | S | S | * | . | trans | -108 | -50.8 | 167.1 | -67.1 | -173.9 | 176.6 | -166.6 | -1.8 | 109.6 | N204 M208 | N204-R206 PolarHBondContact O-N 2.97Å; R206-M208 PolarHBondContact O-N 2.74Å | ||
| 207 | D | 77.5 | Confident | 90.5 | Very high | 129 Ų | 129 | 68.5 Ų | 68.5 | 69% | 0.69 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -82.8 | 114.8 | 179.8 | -41.1 | -54.8 | 0 | 0 | 0 | 110.4 | L199 R209 | L199-D207 WeakPolarHBondContact CD2-O 3.16Å; D207-R209 PolarHBondContact O-N 3.17Å |
| 208 | M | 78.3 | Confident | 90.4 | Very high | 144 Ų | 144 | 70.1 Ų | 70.1 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | trans | -84.1 | 50.3 | -176.9 | -69.6 | -172.8 | 62.2 | 0 | 0 | 113.2 | R206 R210 | R206-M208 PolarHBondContact O-N 2.74Å; M208-R210 PolarHBondContact O-N 2.77Å | ||
| 209 | R | 93.6 | Very high | 90.2 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | trans | -60.2 | 132.8 | 175.2 | -161.6 | -178.5 | -164.4 | -173.9 | 5.9 | 110.4 | D132 E142 C198 D207 F211 | D132-R209 WeakPolarHBondContact OD2-CG 3.44Å; D132-R209 IonicContact OD2-CZ 3.72Å; D132-R209 IonicContact OD2-NE 3.95Å; D132-R209 PolarHBondContact OD2-NE 3Å; D132-R209 IonicContact OD2-NH2 2.77Å; D132-R209 PolarHBondContact OD2-NH2 3.45Å; E142-R209 IonicContact OE1-NH1 2.74Å; C198-R209 HydrophobicContact CB-CB 4.38Å; C198-R209 VanDerWaalsContact CB-O 3.31Å; C198-R209 WeakPolarHBondContact CB-O 3.37Å; C198-R209 VanDerWaalsContact O-CD 3.23Å; C198-R209 WeakPolarHBondContact O-CD 3.36Å; D207-R209 PolarHBondContact O-N 3.17Å; R209-F211 HydrophobicContact CG-CE1 4.28Å | ||
| 210 | R | 96.1 | Very high | 90.1 | Very high | 68 Ų | 68 | 71 Ų | 71 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | trans | -135.9 | 161.5 | 170.2 | -62.1 | -175.2 | 176 | -105 | -3.8 | 109.3 | S60 S133 M208 N231 F233 | S60-R210 PolarHBondContact O-NH1 2.7Å; S133-R210 WeakPolarHBondContact CB-O 3.48Å; S133-R210 PolarHBondContact N-O 3.11Å; S133-R210 PolarHBondContact OG-O 2.83Å; M208-R210 PolarHBondContact O-N 2.77Å; R210-N231 HydrophobicContact CB-CB 4.31Å; R210-F233 HydrophobicContact CG-CB 4.38Å; R210-F233 HydrophobicContact CG-CD2 4.44Å | ||
| 211 | F | 98 | Very high | 90 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151.8 | 178.9 | -56.1 | -24.2 | 0 | 0 | 0 | 110.8 | L130 I131 I139 Q196 N197 C198 R209 M232 V234 | L130-F211 HydrophobicContact CD1-CB 4.37Å; L130-F211 HydrophobicContact CD1-CD2 3.85Å; L130-F211 HydrophobicContact CD1-CG 4.44Å; I131-F211 CarbonylContact O-C 3.58Å; I131-F211 VanDerWaalsContact O-CA 3.24Å; I131-F211 WeakPolarHBondContact O-CA 3.3Å; I139-F211 HydrophobicContact CD1-CD1 3.4Å; I139-F211 HydrophobicContact CD1-CE1 3.37Å; I139-F211 HydrophobicContact CD1-CG 4.32Å; I139-F211 HydrophobicContact CD1-CZ 4.26Å; I139-F211 HydrophobicContact CG1-CD1 3.63Å; I139-F211 HydrophobicContact CG1-CE1 3.77Å; I139-F211 HydrophobicContact CG1-CG 4.08Å; I139-F211 HydrophobicContact CG1-CZ 4.28Å; I139-F211 HydrophobicContact CG2-CE1 4.07Å; I139-F211 HydrophobicContact CG2-CE2 4.35Å; I139-F211 HydrophobicContact CG2-CZ 3.86Å; Q196-F211 HydrophobicContact CB-CE2 4.37Å; Q196-F211 HydrophobicContact CG-CE2 4.28Å; Q196-F211 HydrophobicContact CG-CZ 4.02Å; N197-F211 WeakPolarHBondContact O-CZ 3.5Å; C198-F211 HydrophobicContact CB-CE1 4.23Å; C198-F211 HydrophobicContact CB-CZ 4.16Å; C198-F211 VanDerWaalsContact SG-CD2 3.54Å; C198-F211 VanDerWaalsContact SG-CE2 3.55Å; R209-F211 HydrophobicContact CG-CE1 4.28Å; F211-M232 PolarHBondContact N-O 3.16Å; F211-M232 PolarHBondContact O-N 3.4Å; F211-V234 HydrophobicContact CD2-CB 4.34Å; F211-V234 HydrophobicContact CD2-CG2 3.72Å; F211-V234 HydrophobicContact CE2-CB 4.28Å; F211-V234 HydrophobicContact CE2-CG2 4.12Å |
| 212 | Q | 98.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.4 | 166.1 | -60.6 | -179.5 | -85.6 | 0 | 0 | 108.8 | L130 I131 V228 S229 N231 | L130-Q212 WeakPolarHBondContact CA-O 3.45Å; I131-Q212 HydrophobicContact CD1-CB 4.49Å; I131-Q212 HydrophobicContact CG1-CB 3.98Å; I131-Q212 PolarHBondContact N-O 3.01Å; I131-Q212 PolarHBondContact O-N 2.92Å; Q212-V228 HydrophobicContact CB-CG1 3.68Å; Q212-V228 HydrophobicContact CG-CG1 4.29Å; Q212-S229 WeakPolarHBondContact CG-O 3.35Å; Q212-S229 PolarHBondContact NE2-O 3.22Å; Q212-N231 VanDerWaalsContact CG-OD1 3.25Å; Q212-N231 WeakPolarHBondContact CG-OD1 3.31Å |
| 213 | V | 98.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.8 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 108 | F54 P58 F68 F70 V128 L130 V228 S229 M232 | F54-V213 HydrophobicContact CE1-CB 4.45Å; F54-V213 HydrophobicContact CZ-CB 4.18Å; F54-V213 HydrophobicContact CZ-CG1 4.25Å; P58-V213 HydrophobicContact CB-CG2 4.3Å; P58-V213 HydrophobicContact CG-CG2 3.94Å; F68-V213 HydrophobicContact CE2-CG2 4.12Å; F70-V213 HydrophobicContact CE1-CG1 3.9Å; F70-V213 HydrophobicContact CE1-CG2 4.48Å; F70-V213 HydrophobicContact CZ-CG1 3.93Å; V128-V213 HydrophobicContact CG1-CG1 3.6Å; L130-V213 HydrophobicContact CD2-CB 4.29Å; L130-V213 HydrophobicContact CD2-CG2 3.73Å; V213-V228 CarbonylContact O-C 3.58Å; V213-V228 WeakPolarHBondContact O-CA 3.23Å; V213-S229 PolarHBondContact N-OG 2.91Å; V213-S229 PolarHBondContact O-N 3.04Å; V213-M232 HydrophobicContact CG2-CE 4.39Å |
| 214 | V | 98 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.2 | 171 | 176.2 | 0 | 0 | 0 | 0 | 109.3 | V128 R129 I131 V221 V225 V228 | V128-V214 WeakPolarHBondContact CA-O 3.17Å; R129-V214 PolarHBondContact N-O 2.59Å; R129-V214 VanDerWaalsContact N-O 3.14Å; R129-V214 PolarHBondContact O-N 3.25Å; I131-V214 HydrophobicContact CB-CG2 4.1Å; I131-V214 HydrophobicContact CD1-CG2 3.49Å; I131-V214 VanDerWaalsContact CD1-CG2 3.49Å; I131-V214 HydrophobicContact CG1-CG2 3.61Å; I131-V214 HydrophobicContact CG2-CB 4.45Å; I131-V214 HydrophobicContact CG2-CG2 3.48Å; I131-V214 VanDerWaalsContact CG2-CG2 3.48Å; V214-V221 HydrophobicContact CB-CG1 4.49Å; V214-V221 HydrophobicContact CG1-CG1 4.21Å; V214-V225 HydrophobicContact CG1-CB 3.89Å; V214-V225 HydrophobicContact CG1-CG1 3.54Å; V214-V228 HydrophobicContact CG2-CG1 4.43Å; V214-V228 HydrophobicContact CG2-CG2 4.33Å |
| 215 | V | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | F54 L72 L126 Y127 L226 A227 | F54-V215 HydrophobicContact CE2-CG2 4.37Å; F54-V215 HydrophobicContact CZ-CG2 3.85Å; L72-V215 HydrophobicContact CD1-CB 4.35Å; L72-V215 HydrophobicContact CD1-CG1 3.81Å; L72-V215 HydrophobicContact CD1-CG2 3.74Å; L72-V215 HydrophobicContact CD2-CG2 4.23Å; L126-V215 HydrophobicContact CD1-CG1 3.79Å; L126-V215 HydrophobicContact CD2-CG1 4.08Å; L126-V215 HydrophobicContact CG-CG1 4.1Å; Y127-V215 WeakPolarHBondContact O-CA 3.08Å; V215-L226 HydrophobicContact CG1-CB 4.45Å; V215-L226 HydrophobicContact CG1-CD1 4.37Å; V215-L226 WeakPolarHBondContact O-CA 3.47Å; V215-L226 WeakPolarHBondContact O-CB 3.5Å; V215-L226 PolarHBondContact O-N 3.03Å; V215-A227 PolarHBondContact N-O 3.13Å; V215-A227 PolarHBondContact O-N 3.21Å |
| 216 | S | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.9 | -175.3 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | Y127 T218 | Y127-S216 PolarHBondContact N-O 2.96Å; Y127-S216 PolarHBondContact O-N 2.69Å; Y127-S216 VanDerWaalsContact O-N 3.1Å; S216-T218 VanDerWaalsContact C-N 3.31Å; S216-T218 WeakPolarHBondContact CB-O 3.46Å; S216-T218 PolarHBondContact OG-O 2.92Å |
| 217 | T | 94.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -86.1 | -2.6 | 171.4 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | L49 L226 | L49-T217 HydrophobicContact CB-CG2 4.43Å; L49-T217 HydrophobicContact CD1-CG2 4.41Å; T217-L226 HydrophobicContact CG2-CD1 3.9Å; T217-L226 HydrophobicContact CG2-CD2 4.42Å; T217-L226 HydrophobicContact CG2-CG 4.3Å |
| 218 | T | 93.1 | Very high | 92.9 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -134.8 | 163.7 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 110.4 | Y127 S216 S220 | Y127-T218 WeakPolarHBondContact CD2-O 3.28Å; S216-T218 VanDerWaalsContact C-N 3.31Å; S216-T218 WeakPolarHBondContact CB-O 3.46Å; S216-T218 PolarHBondContact OG-O 2.92Å; T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 2.94Å |
| 219 | V | 91.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -66.6 | -31.3 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | V93 Y127 R129 | V93-V219 HydrophobicContact CG1-CG1 3.68Å; Y127-V219 HydrophobicContact CD1-CG2 3.83Å; Y127-V219 HydrophobicContact CE1-CG2 3.53Å; Y127-V219 HydrophobicContact CE2-CG2 4.25Å; Y127-V219 HydrophobicContact CG-CG2 4.32Å; R129-V219 WeakPolarHBondContact CD-O 3.34Å; R129-V219 PolarHBondContact NH1-O 3.2Å |
| 220 | S | 88.8 | Confident | 94 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | trans | -70.4 | 138.4 | -176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | T218 E222 | T218-S220 VanDerWaalsContact C-N 3.33Å; T218-S220 PolarHBondContact O-N 2.94Å; S220-E222 PolarHBondContact OG-N 2.88Å | ||
| 221 | V | 86.8 | Confident | 94.1 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -104 | -7.4 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 113.3 | R129 I131 A138 V214 | R129-V221 HydrophobicContact CB-CG1 4.1Å; R129-V221 HydrophobicContact CG-CG1 4.43Å; I131-V221 HydrophobicContact CG2-CB 3.95Å; I131-V221 HydrophobicContact CG2-CG1 4.08Å; I131-V221 HydrophobicContact CG2-CG2 3.99Å; A138-V221 HydrophobicContact CB-CG2 4.13Å; V214-V221 HydrophobicContact CB-CG1 4.49Å; V214-V221 HydrophobicContact CG1-CG1 4.21Å |
| 222 | E | 82.9 | Confident | 94.1 | Very high | 139 Ų | 139 | 39.3 Ų | 39.3 | 65% | 0.65 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -86.3 | -8.9 | -178.7 | -57.8 | -165.1 | 127.8 | 0 | 0 | 113.3 | Q137 S220 | Q137-E222 PolarHBondContact NE2-OE1 2.77Å; S220-E222 PolarHBondContact OG-N 2.88Å |
| 223 | G | 82.5 | Confident | 94 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -106.9 | -149.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V225 | G223-V225 PolarHBondContact O-N 2.87Š|
| 224 | H | 88.4 | Confident | 93.9 | Very high | 134 Ų | 134 | 39.5 Ų | 39.5 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | trans | -70.8 | 112.3 | 177.9 | -179.3 | -73.1 | 0 | 0 | 0 | 111.7 | A50 | A50-H224 PolarHBondContact O-CE1 3.02Š| ||
| 225 | V | 95.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 24% | 0.242 | 23% | 0.232 | C | C | . | . | trans | -105.9 | 149.1 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | V214 G223 V228 | V214-V225 HydrophobicContact CG1-CB 3.89Å; V214-V225 HydrophobicContact CG1-CG1 3.54Å; G223-V225 PolarHBondContact O-N 2.87Å; V225-V228 HydrophobicContact CG2-CG2 3.78Å | ||
| 226 | L | 96.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -74 | -36.7 | 179.8 | -67 | 177 | 0 | 0 | 0 | 112.3 | L49 R51 A52 L126 V215 T217 | L49-L226 HydrophobicContact CB-CD1 4.22Å; L49-L226 HydrophobicContact CB-CD2 3.85Å; L49-L226 HydrophobicContact CD1-CD1 3.83Å; R51-L226 WeakPolarHBondContact CA-O 3.5Å; A52-L226 HydrophobicContact CB-CB 4.03Å; A52-L226 PolarHBondContact N-O 3.04Å; L126-L226 HydrophobicContact CD1-CD1 3.68Å; V215-L226 HydrophobicContact CG1-CB 4.45Å; V215-L226 HydrophobicContact CG1-CD1 4.37Å; V215-L226 WeakPolarHBondContact O-CA 3.47Å; V215-L226 WeakPolarHBondContact O-CB 3.5Å; V215-L226 PolarHBondContact O-N 3.03Å; T217-L226 HydrophobicContact CG2-CD1 3.9Å; T217-L226 HydrophobicContact CG2-CD2 4.42Å; T217-L226 HydrophobicContact CG2-CG 4.3Å |
| 227 | A | 97.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 49 Ų | 49 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 158.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A52 F54 V215 | A52-A227 HydrophobicContact CB-CB 3.89Å; F54-A227 HydrophobicContact CD2-CB 3.93Å; F54-A227 HydrophobicContact CE2-CB 3.58Å; V215-A227 PolarHBondContact N-O 3.13Å; V215-A227 PolarHBondContact O-N 3.21Å |
| 228 | V | 98.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 50.2 Ų | 50.2 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.5 | 170 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | I131 Q212 V213 V214 V225 | I131-V228 HydrophobicContact CD1-CG1 4.09Å; Q212-V228 HydrophobicContact CB-CG1 3.68Å; Q212-V228 HydrophobicContact CG-CG1 4.29Å; V213-V228 CarbonylContact O-C 3.58Å; V213-V228 WeakPolarHBondContact O-CA 3.23Å; V214-V228 HydrophobicContact CG2-CG1 4.43Å; V214-V228 HydrophobicContact CG2-CG2 4.33Å; V225-V228 HydrophobicContact CG2-CG2 3.78Å |
| 229 | S | 98.3 | Very high | 93 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | trans | -80.4 | 171.6 | -176 | 80.9 | 0 | 0 | 0 | 0 | 114.2 | P58 Q212 V213 | P58-S229 WeakPolarHBondContact CG-OG 3.4Å; Q212-S229 WeakPolarHBondContact CG-O 3.35Å; Q212-S229 PolarHBondContact NE2-O 3.22Å; V213-S229 PolarHBondContact N-OG 2.91Å; V213-S229 PolarHBondContact O-N 3.04Å | ||
| 230 | D | 98.1 | Very high | 92.8 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | trans | -60.2 | 163 | 162.5 | -76 | -20.7 | 0 | 0 | 0 | 112.8 | Q57 M232 | Q57-D230 HydrophobicContact CB-CB 4.45Å; Q57-D230 VanDerWaalsContact CD-CG 3.45Å; Q57-D230 HydrophobicContact CG-CB 4.28Å; Q57-D230 WeakPolarHBondContact CG-OD2 3.41Å; Q57-D230 PolarHBondContact NE2-OD1 3.34Å; Q57-D230 PolarHBondContact NE2-OD2 2.85Å; D230-M232 PolarHBondContact O-N 3.22Å | ||
| 231 | N | 97.6 | Very high | 92.6 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | trans | -73 | 110.7 | -174.7 | -73.4 | -38 | 0 | 0 | 0 | 113.6 | S60 S133 R210 Q212 | S60-N231 WeakPolarHBondContact CA-O 3.43Å; S133-N231 WeakPolarHBondContact CB-OD1 3.45Å; R210-N231 HydrophobicContact CB-CB 4.31Å; Q212-N231 VanDerWaalsContact CG-OD1 3.25Å; Q212-N231 WeakPolarHBondContact CG-OD1 3.31Å | ||
| 232 | M | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 128.8 | 173.5 | 173.4 | 169.2 | 62.1 | 0 | 0 | 111.8 | P58 P59 L62 F68 L130 F211 V213 D230 V234 | P58-M232 HydrophobicContact CB-SD 4.48Å; P59-M232 VanDerWaalsContact O-CG 3.28Å; P59-M232 WeakPolarHBondContact O-CG 3.35Å; L62-M232 HydrophobicContact CB-CG 4.13Å; L62-M232 HydrophobicContact CB-SD 3.95Å; L62-M232 HydrophobicContact CD2-SD 3.63Å; L62-M232 HydrophobicContact CG-SD 4.43Å; F68-M232 HydrophobicContact CD2-CE 4.49Å; F68-M232 HydrophobicContact CD2-SD 4.18Å; F68-M232 HydrophobicContact CE1-CE 4.43Å; F68-M232 HydrophobicContact CE2-CE 4.01Å; F68-M232 HydrophobicContact CE2-SD 4.29Å; F68-M232 HydrophobicContact CG-SD 4.37Å; F68-M232 HydrophobicContact CZ-CE 3.97Å; L130-M232 HydrophobicContact CD1-CE 4.26Å; L130-M232 HydrophobicContact CD2-CE 4.19Å; F211-M232 PolarHBondContact N-O 3.16Å; F211-M232 PolarHBondContact O-N 3.4Å; V213-M232 HydrophobicContact CG2-CE 4.39Å; D230-M232 PolarHBondContact O-N 3.22Å; M232-V234 HydrophobicContact CE-CG2 4.12Å; M232-V234 HydrophobicContact CG-CG2 3.89Å; M232-V234 HydrophobicContact SD-CG2 4.17Å |
| 233 | F | 96.8 | Very high | 92.3 | Very high | 27 Ų | 27 | 71.2 Ų | 71.2 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 107.6 | 173.5 | 177.2 | -111.3 | 0 | 0 | 0 | 111.7 | S60 N61 L62 C198 L199 R210 H235 H240 | S60-F233 PolarHBondContact O-N 3Å; N61-F233 CarbonylContact C-O 3.5Å; N61-F233 WeakPolarHBondContact CA-O 3.5Å; L62-F233 PolarHBondContact N-O 3.03Å; C198-F233 HydrophobicContact CB-CD2 3.91Å; C198-F233 HydrophobicContact CB-CE2 4.01Å; L199-F233 HydrophobicContact CD1-CE2 4.13Å; L199-F233 HydrophobicContact CD1-CZ 3.86Å; L199-F233 HydrophobicContact CD2-CE2 4.29Å; L199-F233 HydrophobicContact CG-CE2 3.91Å; L199-F233 HydrophobicContact CG-CZ 4.09Å; R210-F233 HydrophobicContact CG-CB 4.38Å; R210-F233 HydrophobicContact CG-CD2 4.44Å; F233-H235 HydrophobicContact CD1-CB 4.5Å; F233-H235 AromaticContact CD1-CD2 3.84Å; F233-H235 HydrophobicContact CE1-CB 3.98Å; F233-H235 HydrophobicContact CZ-CB 4.47Å; F233-H240 AromaticContact CD1-CE1 3.95Å; F233-H240 AromaticContact CE1-CE1 3.97Å |
| 234 | V | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.2 | -176.9 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | L62 K64 C194 Q196 C198 F211 M232 | L62-V234 HydrophobicContact CB-CG2 4.4Å; L62-V234 HydrophobicContact CD2-CG2 4.35Å; L62-V234 CarbonylContact O-C 3.49Å; L62-V234 WeakPolarHBondContact O-CA 3.42Å; K64-V234 HydrophobicContact CB-CG1 4.09Å; C194-V234 HydrophobicContact CB-CG1 4.2Å; C194-V234 HydrophobicContact CB-CG2 4.23Å; Q196-V234 VanDerWaalsContact O-CG1 3.28Å; Q196-V234 WeakPolarHBondContact O-CG1 3.32Å; C198-V234 PolarHBondContact N-O 2.99Å; C198-V234 PolarHBondContact SG-N 3.04Å; F211-V234 HydrophobicContact CD2-CB 4.34Å; F211-V234 HydrophobicContact CD2-CG2 3.72Å; F211-V234 HydrophobicContact CE2-CB 4.28Å; F211-V234 HydrophobicContact CE2-CG2 4.12Å; M232-V234 HydrophobicContact CE-CG2 4.12Å; M232-V234 HydrophobicContact CG-CG2 3.89Å; M232-V234 HydrophobicContact SD-CG2 4.17Å |
| 235 | H | 94.3 | Very high | 91 | Very high | 23 Ų | 23 | 77.7 Ų | 77.7 | 11% | 0.106 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 160.1 | -175.3 | 60.3 | 80.1 | 0 | 0 | 0 | 112.6 | L62 R63 K64 F233 N237 H240 | L62-H235 PolarHBondContact O-CD2 2.72Å; L62-H235 VanDerWaalsContact O-CD2 3.29Å; L62-H235 PolarHBondContact O-N 2.93Å; L62-H235 PolarHBondContact O-NE2 2.83Å; R63-H235 CarbonylContact C-O 3.53Å; R63-H235 WeakPolarHBondContact CA-O 3.18Å; K64-H235 PolarHBondContact N-O 3.31Å; F233-H235 HydrophobicContact CD1-CB 4.5Å; F233-H235 AromaticContact CD1-CD2 3.84Å; F233-H235 HydrophobicContact CE1-CB 3.98Å; F233-H235 HydrophobicContact CZ-CB 4.47Å; H235-N237 PolarHBondContact CE1-O 2.74Å; H235-N237 VanDerWaalsContact CE1-O 3.25Å; H235-N237 PolarHBondContact ND1-N 2.93Å; H235-N237 PolarHBondContact ND1-O 2.93Å; H235-H240 AromaticContact CD2-CG 3.86Å; H235-H240 WeakPolarHBondContact CE1-CB 3.49Å; H235-H240 AromaticContact CE1-CG 3.7Å; H235-H240 AromaticContact NE2-CD2 3.45Å; H235-H240 PolarHBondContact NE2-CD2 3.46Å; H235-H240 AromaticContact NE2-CG 3.43Å |
| 236 | N | 94.3 | Very high | 89.4 | Confident | 95 Ų | 95 | 83.1 Ų | 83.1 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | trans | -103.1 | 10.8 | 169.3 | -157.5 | 14.5 | 0 | 0 | 0 | 114.3 | ||||
| 237 | N | 92.4 | Very high | 87.6 | Confident | 81 Ų | 81 | 90.6 Ų | 90.6 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | trans | -79.9 | 124.1 | 178.3 | -173.5 | 1.4 | 0 | 0 | 0 | 112 | H235 K239 H240 | H235-N237 PolarHBondContact CE1-O 2.74Å; H235-N237 VanDerWaalsContact CE1-O 3.25Å; H235-N237 PolarHBondContact ND1-N 2.93Å; H235-N237 PolarHBondContact ND1-O 2.93Å; N237-K239 WeakPolarHBondContact OD1-CA 3.23Å; N237-K239 WeakPolarHBondContact OD1-CB 2.95Å; N237-K239 PolarHBondContact OD1-N 3.37Å; N237-H240 HydrophobicContact CB-CB 4.35Å | ||
| 238 | S | 90.6 | Very high | 85.2 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.3 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 239 | K | 89.9 | Confident | 83.2 | Confident | 152 Ų | 152 | 92.9 Ų | 92.9 | 66% | 0.661 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.4 | 177.4 | -54.2 | 175.8 | -175.5 | 173 | 0 | 112.7 | N237 R242 | N237-K239 WeakPolarHBondContact OD1-CA 3.23Å; N237-K239 WeakPolarHBondContact OD1-CB 2.95Å; N237-K239 PolarHBondContact OD1-N 3.37Å; K239-R242 WeakPolarHBondContact O-CB 3.47Å; K239-R242 PolarHBondContact O-N 3.14Å; K239-R242 VanDerWaalsContact O-N 3.13Å |
| 240 | H | 87.4 | Confident | 81 | Confident | 71 Ų | 71 | 95 Ų | 95 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 145.5 | 177.2 | -177.2 | 86.8 | 0 | 0 | 0 | 111 | N61 F233 H235 N237 R242 | N61-H240 PolarHBondContact OD1-NE2 3.32Å; F233-H240 AromaticContact CD1-CE1 3.95Å; F233-H240 AromaticContact CE1-CE1 3.97Å; H235-H240 AromaticContact CD2-CG 3.86Å; H235-H240 WeakPolarHBondContact CE1-CB 3.49Å; H235-H240 AromaticContact CE1-CG 3.7Å; H235-H240 AromaticContact NE2-CD2 3.45Å; H235-H240 PolarHBondContact NE2-CD2 3.46Å; H235-H240 AromaticContact NE2-CG 3.43Å; N237-H240 HydrophobicContact CB-CB 4.35Å; H240-R242 PolarHBondContact O-N 3.36Å |
| 241 | G | 83.1 | Confident | 78.7 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 78% | 0.784 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -17.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 242 | R | 85.7 | Confident | 76.1 | Confident | 198 Ų | 198 | 93.9 Ų | 93.9 | 75% | 0.747 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -83.6 | 130.3 | 176.7 | -52.6 | -173.1 | -175.1 | -156 | -2.7 | 109.7 | K239 H240 | K239-R242 WeakPolarHBondContact O-CB 3.47Å; K239-R242 PolarHBondContact O-N 3.14Å; K239-R242 VanDerWaalsContact O-N 3.13Å; H240-R242 PolarHBondContact O-N 3.36Å |
| 243 | R | 78.1 | Confident | 73.5 | Confident | 236 Ų | 236 | 98.9 Ų | 98.9 | 89% | 0.891 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 145.9 | 167.8 | -66.2 | -176.5 | 180 | -175.8 | -0.1 | 109.3 | R245 | R243-R245 PolarHBondContact O-N 3.33Š|
| 244 | A | 73.7 | Confident | 71 | Confident | 97 Ų | 97 | 103 Ų | 103 | 80% | 0.802 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 123.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R246 | A244-R246 PolarHBondContact O-N 3.47Š|
| 245 | R | 69.4 | Low | 68.7 | Low | 223 Ų | 223 | 107.8 Ų | 107.8 | 84% | 0.842 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125.5 | 167.6 | -66.9 | -164.9 | -68.1 | -163.8 | 2.6 | 107.1 | R243 L247 | R243-R245 PolarHBondContact O-N 3.33Å; R245-L247 PolarHBondContact O-N 3.43Å |
| 246 | R | 61.5 | Low | 66 | Low | 154 Ų | 154 | 117.2 Ų | 117.2 | 58% | 0.581 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.7 | 171.7 | -74.5 | -178.8 | 170.3 | -175 | -8 | 108 | A244 D248 E251 | A244-R246 PolarHBondContact O-N 3.47Å; R246-D248 PolarHBondContact O-N 2.73Å; R246-E251 IonicContact CZ-OE2 3.87Å; R246-E251 IonicContact NH1-OE2 3.58Å; R246-E251 PolarHBondContact NH1-OE2 3.26Å |
| 247 | L | 59 | Low | 63.4 | Low | 167 Ų | 167 | 120 Ų | 120 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | trans | -87.5 | 25.2 | 174.2 | -64.5 | 174.6 | 0 | 0 | 0 | 111.4 | R245 P249 | R245-L247 PolarHBondContact O-N 3.43Å; L247-P249 WeakPolarHBondContact O-CD 3.05Å | ||
| 248 | D | 47.8 | Very low | 61 | Low | 57 Ų | 57 | 124.3 Ų | 124.3 | 31% | 0.305 | 64% | 0.64 | S | S | . | * | trans | -89.7 | 115.5 | 167.6 | -83.6 | -61.7 | 0 | 0 | 0 | 109.4 | R246 S250 E251 K330 | R246-D248 PolarHBondContact O-N 2.73Å; D248-S250 PolarHBondContact O-N 3.14Å; D248-E251 PolarHBondContact O-N 3.26Å; D248-K330 WeakPolarHBondContact OD1-CD 3.13Å; D248-K330 IonicContact OD1-NZ 3.48Å; D248-K330 PolarHBondContact OD1-NZ 2.73Å | ||
| 249 | P | 54.5 | Low | 59.2 | Low | 63 Ų | 63 | 127.8 Ų | 127.8 | 41% | 0.409 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | -10 | 177.3 | -24.5 | 35.3 | 0 | 0 | 0 | 114.7 | L247 | L247-P249 WeakPolarHBondContact O-CD 3.05Š|
| 250 | S | 52.3 | Low | 58.3 | Low | 45 Ų | 45 | 121.6 Ų | 121.6 | 32% | 0.315 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -1.4 | -175.9 | 71.7 | 0 | 0 | 0 | 0 | 116.1 | D248 | D248-S250 PolarHBondContact O-N 3.14Š|
| 251 | E | 51 | Low | 58.1 | Low | 99 Ų | 99 | 123.2 Ų | 123.2 | 46% | 0.463 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -144.4 | 39.1 | 179.3 | -66.6 | -166.1 | -178.9 | 0 | 0 | 112.8 | R246 D248 K332 | R246-E251 IonicContact CZ-OE2 3.87Å; R246-E251 IonicContact NH1-OE2 3.58Å; R246-E251 PolarHBondContact NH1-OE2 3.26Å; D248-E251 PolarHBondContact O-N 3.26Å; E251-K332 IonicContact OE1-NZ 3.91Å; E251-K332 PolarHBondContact OE1-NZ 2.92Å |
| 252 | G | 42.3 | Very low | 58.6 | Low | 39 Ų | 39 | 120 Ų | 120 | 40% | 0.402 | 61% | 0.606 | S | S | . | * | trans | -88.3 | -34 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 253 | T | 43 | Very low | 58.9 | Low | 106 Ų | 106 | 112 Ų | 112 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | trans | -153.8 | 136.7 | -166 | -24.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 254 | P | 44.8 | Very low | 59.8 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -76.7 | 136.9 | 156.2 | -3.7 | 21.6 | 0 | 0 | 0 | 110.3 | ||
| 255 | S | 47.8 | Very low | 60.8 | Low | 101 Ų | 101 | 103.8 Ų | 103.8 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 30.6 | 104.7 | 164.5 | 60.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 256 | Y | 37.4 | Very low | 62.1 | Low | 222 Ų | 222 | 95.4 Ų | 95.4 | 87% | 0.871 | 51% | 0.512 | S | S | * | . | S | Bend | -154 | 4.6 | 59.5 | -110.9 | -89.3 | 0 | 0 | 0 | 114.9 | |||
| 257 | L | 40.2 | Very low | 63.8 | Low | 154 Ų | 154 | 88.8 Ų | 88.8 | 81% | 0.806 | 49% | 0.488 | S | S | * | . | trans | -108.2 | 100 | 177.9 | -74.4 | 176.2 | 0 | 0 | 0 | 111 | H259 | L257-H259 PolarHBondContact O-N 2.96Å; L257-H259 PolarHBondContact O-ND1 3.33Å; L257-H259 VanDerWaalsContact O-ND1 3.16Å | ||
| 258 | E | 42.3 | Very low | 65.5 | Low | 171 Ų | 171 | 84.1 Ų | 84.1 | 80% | 0.799 | 47% | 0.469 | S | S | * | . | trans | -53.8 | 103.2 | 172 | -166.1 | -174.7 | 160.9 | 0 | 0 | 110.3 | A260 | E258-A260 HydrophobicContact CG-CB 3.91Å; E258-A260 PolarHBondContact O-N 3.26Å; E258-A260 WeakPolarHBondContact OE1-CB 3.19Å | ||
| 259 | H | 53 | Low | 67.9 | Low | 140 Ų | 140 | 84.8 Ų | 84.8 | 65% | 0.648 | 48% | 0.476 | S | S | * | . | trans | -77.4 | 78.4 | 158.7 | -70.4 | 53.2 | 0 | 0 | 0 | 105.4 | L257 | L257-H259 PolarHBondContact O-N 2.96Å; L257-H259 PolarHBondContact O-ND1 3.33Å; L257-H259 VanDerWaalsContact O-ND1 3.16Å | ||
| 260 | A | 69.4 | Low | 69.8 | Low | 23 Ų | 23 | 84.9 Ų | 84.9 | 19% | 0.19 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 142.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E258 N286 | E258-A260 HydrophobicContact CG-CB 3.91Å; E258-A260 PolarHBondContact O-N 3.26Å; E258-A260 WeakPolarHBondContact OE1-CB 3.19Å; A260-N286 WeakPolarHBondContact CB-ND2 3.28Å; A260-N286 WeakPolarHBondContact O-CB 3.45Å; A260-N286 PolarHBondContact O-ND2 3.13Å |
| 261 | T | 84.9 | Confident | 71.8 | Confident | 104 Ų | 104 | 88.2 Ų | 88.2 | 64% | 0.638 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 135.6 | -172.6 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | S263 | T261-S263 PolarHBondContact O-N 3.33Å; T261-S263 VanDerWaalsContact O-N 3.14Å |
| 262 | P | 92 | Very high | 73.8 | Confident | 8 Ų | 8 | 84.2 Ų | 84.2 | 5% | 0.052 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 121.7 | -178.5 | 25.1 | -34.2 | 0 | 0 | 0 | 109.9 | D285 F287 F288 L291 L327 F334 C335 | P262-D285 WeakPolarHBondContact CA-O 3.33Å; P262-F287 HydrophobicContact CB-CD1 4.29Å; P262-F288 HydrophobicContact CG-CE1 4.35Å; P262-L291 HydrophobicContact CB-CD2 4.31Å; P262-L327 HydrophobicContact CB-CD1 3.9Å; P262-F334 HydrophobicContact CG-CB 4.17Å; P262-F334 HydrophobicContact CG-CD1 3.9Å; P262-F334 HydrophobicContact CG-CD2 3.77Å; P262-F334 HydrophobicContact CG-CE1 4.2Å; P262-F334 HydrophobicContact CG-CE2 4.08Å; P262-F334 HydrophobicContact CG-CG 3.68Å; P262-F334 HydrophobicContact CG-CZ 4.29Å; P262-C335 PolarHBondContact O-SG 3.26Å; P262-C335 VanDerWaalsContact O-SG 3.32Å |
| 263 | S | 93.6 | Very high | 76.2 | Confident | 30 Ų | 30 | 88.1 Ų | 88.1 | 21% | 0.21 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.2 | -169.1 | 68.8 | 0 | 0 | 0 | 0 | 110.5 | T261 G284 D285 F287 | T261-S263 PolarHBondContact O-N 3.33Å; T261-S263 VanDerWaalsContact O-N 3.14Å; S263-G284 VanDerWaalsContact O-CA 3.23Å; S263-G284 WeakPolarHBondContact O-CA 3.26Å; S263-D285 PolarHBondContact N-O 3.12Å; S263-D285 VanDerWaalsContact N-O 3.13Å; S263-D285 PolarHBondContact O-N 3.26Å; S263-D285 WeakPolarHBondContact OG-CB 3.45Å; S263-D285 PolarHBondContact OG-N 2.95Å; S263-D285 PolarHBondContact OG-OD2 3.01Å; S263-D285 VanDerWaalsContact OG-OD2 3.14Å; S263-F287 WeakPolarHBondContact O-CE1 3.21Å; S263-F287 VanDerWaalsContact O-CZ 3.29Å; S263-F287 WeakPolarHBondContact O-CZ 3.03Å |
| 264 | I | 96.3 | Very high | 78.6 | Confident | 20 Ų | 20 | 84.3 Ų | 84.3 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.4 | 168.1 | -60.7 | 173.2 | 0 | 0 | 0 | 107.9 | I267 I282 V325 L327 C335 | I264-I267 HydrophobicContact CG2-CD1 4.31Å; I264-I267 HydrophobicContact CG2-CG1 4Å; I264-I282 HydrophobicContact CB-CG2 4.47Å; I264-I282 HydrophobicContact CD1-CG2 4.36Å; I264-I282 HydrophobicContact CG1-CG2 3.94Å; I264-I282 HydrophobicContact CG2-CG2 3.94Å; I264-V325 HydrophobicContact CD1-CG1 4.25Å; I264-V325 VanDerWaalsContact CD1-O 3.28Å; I264-V325 WeakPolarHBondContact CD1-O 3.46Å; I264-L327 HydrophobicContact CD1-CD1 4.47Å; I264-L327 HydrophobicContact CD1-CD2 3.91Å; I264-L327 HydrophobicContact CD1-CG 3.94Å; I264-L327 HydrophobicContact CG1-CD1 3.91Å; I264-L327 HydrophobicContact CG1-CD2 4.03Å; I264-L327 HydrophobicContact CG1-CG 3.93Å; I264-C335 HydrophobicContact CD1-CB 4.4Å; I264-C335 PolarHBondContact N-SG 3.46Å |
| 265 | K | 95 | Very high | 80.9 | Confident | 142 Ų | 142 | 83.6 Ų | 83.6 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -41.5 | 172.4 | -75.6 | 172.9 | 167 | 163.5 | 0 | 112 | I283 D285 | K265-I283 PolarHBondContact N-O 3Å; K265-D285 WeakPolarHBondContact CE-OD2 3.15Å; K265-D285 IonicContact NZ-OD1 3.98Å; K265-D285 PolarHBondContact NZ-OD1 3.44Å; K265-D285 IonicContact NZ-OD2 3.82Å; K265-D285 PolarHBondContact NZ-OD2 3.05Å |
| 266 | A | 95.6 | Very high | 83 | Confident | 46 Ų | 46 | 79.4 Ų | 79.4 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I283 | A266-I283 HydrophobicContact CB-CB 4.35Å; A266-I283 PolarHBondContact N-O 3.03Å; A266-I283 PolarHBondContact O-N 3.13Å |
| 267 | I | 97.1 | Very high | 85.6 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.082 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127 | 175.7 | -59.6 | -170 | 0 | 0 | 0 | 107.1 | I264 S270 V280 I282 V325 F342 | I264-I267 HydrophobicContact CG2-CD1 4.31Å; I264-I267 HydrophobicContact CG2-CG1 4Å; I267-S270 PolarHBondContact O-N 2.91Å; I267-V280 HydrophobicContact CG2-CG1 3.34Å; I267-I282 HydrophobicContact CD1-CD1 4.36Å; I267-I282 HydrophobicContact CD1-CG1 4.32Å; I267-I282 HydrophobicContact CG1-CG1 4.15Å; I267-I282 HydrophobicContact CG1-CG2 4.3Å; I267-I282 HydrophobicContact CG2-CG1 4.35Å; I267-V325 HydrophobicContact CD1-CB 3.51Å; I267-V325 HydrophobicContact CD1-CG1 3.75Å; I267-V325 HydrophobicContact CD1-CG2 3.68Å; I267-F342 HydrophobicContact CG2-CD2 4.19Å |
| 268 | S | 95.9 | Very high | 88.1 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 121.6 | -175 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | I281 | S268-I281 PolarHBondContact N-O 2.64Å; S268-I281 PolarHBondContact O-N 2.78Å |
| 269 | P | 96.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -59.7 | 150.6 | -9.4 | -23.9 | 35.6 | 0 | 0 | 0 | 113.1 | E271 F342 | P269-E271 VanDerWaalsContact C-N 3.3Å; P269-F342 WeakPolarHBondContact O-CE2 3.45Å |
| 270 | S | 95.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -85.1 | -1.2 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | I267 F342 I343 | I267-S270 PolarHBondContact O-N 2.91Å; S270-F342 CarbonylContact O-C 3.53Å; S270-F342 VanDerWaalsContact O-CA 3.32Å; S270-F342 WeakPolarHBondContact O-CA 3.26Å; S270-I343 PolarHBondContact O-N 3.43Å |
| 271 | E | 94 | Very high | 94.1 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 162.6 | -178.9 | 62.8 | 176.5 | -141.6 | 0 | 0 | 112.1 | P269 I343 | P269-E271 VanDerWaalsContact C-N 3.3Å; E271-I343 CarbonylContact C-O 3.57Å; E271-I343 WeakPolarHBondContact CA-O 3.28Å; E271-I343 HydrophobicContact CB-CB 3.96Å |
| 272 | G | 93.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | 178.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F342 I343 Y344 T345 | G272-F342 VanDerWaalsContact N-CZ 3.32Å; G272-I343 PolarHBondContact N-O 2.78Å; G272-Y344 CarbonylContact O-C 3.53Å; G272-Y344 WeakPolarHBondContact O-CA 3.39Å; G272-T345 PolarHBondContact O-N 3Å |
| 273 | W | 93.1 | Very high | 94.9 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 145.9 | -171.2 | -58.4 | 116.2 | 0 | 0 | 0 | 114 | T275 G276 T345 L347 | W273-T275 WeakPolarHBondContact CB-OG1 3.24Å; W273-T275 PolarHBondContact O-N 3.12Å; W273-G276 PolarHBondContact O-N 2.67Å; W273-T345 WeakPolarHBondContact CA-O 3.43Å; W273-T345 HydrophobicContact CE3-CG2 4.46Å; W273-T345 HydrophobicContact CZ3-CG2 3.86Å; W273-L347 HydrophobicContact CD2-CD2 4.37Å; W273-L347 HydrophobicContact CD2-CG 4.21Å; W273-L347 HydrophobicContact CE3-CD1 4.5Å; W273-L347 HydrophobicContact CE3-CD2 3.93Å; W273-L347 HydrophobicContact CE3-CG 3.71Å; W273-L347 HydrophobicContact CH2-CD2 3.48Å; W273-L347 VanDerWaalsContact CH2-CD2 3.48Å; W273-L347 HydrophobicContact CH2-CG 4.22Å; W273-L347 HydrophobicContact CZ2-CD2 3.94Å; W273-L347 HydrophobicContact CZ3-CD2 3.46Å; W273-L347 VanDerWaalsContact CZ3-CD2 3.46Å; W273-L347 HydrophobicContact CZ3-CG 3.72Å |
| 274 | T | 93.1 | Very high | 95 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 17% | 0.166 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -19.9 | 170.4 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | G276 R317 P320 T345 A346 | T274-G276 PolarHBondContact O-N 2.64Å; T274-R317 WeakPolarHBondContact CA-O 3.14Å; T274-R317 WeakPolarHBondContact CB-O 3.48Å; T274-R317 WeakPolarHBondContact CG2-O 3.37Å; T274-R317 PolarHBondContact O-N 2.86Å; T274-R317 VanDerWaalsContact O-O 3.11Å; T274-P320 HydrophobicContact CG2-CB 4.39Å; T274-T345 PolarHBondContact N-O 2.9Å; T274-A346 HydrophobicContact CG2-CB 3.88Å |
| 275 | T | 92.3 | Very high | 94.9 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.2 | 172.9 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | W273 P316 | W273-T275 WeakPolarHBondContact CB-OG1 3.24Å; W273-T275 PolarHBondContact O-N 3.12Å; T275-P316 WeakPolarHBondContact O-CB 3.38Å; T275-P316 WeakPolarHBondContact O-CG 3.41Å |
| 276 | G | 91.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | trans | 68.7 | -166.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W273 T274 A278 T314 | W273-G276 PolarHBondContact O-N 2.67Å; T274-G276 PolarHBondContact O-N 2.64Å; G276-A278 VanDerWaalsContact C-N 3.31Å; G276-A278 PolarHBondContact O-N 3.32Å; G276-T314 CarbonylContact C-O 3.55Å; G276-T314 VanDerWaalsContact CA-O 3.3Å; G276-T314 WeakPolarHBondContact CA-O 3.45Å; G276-T314 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 277 | G | 92.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | trans | 79.6 | 4.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q313 T314 | G277-Q313 PolarHBondContact O-OE1 2.88Å; G277-T314 PolarHBondContact N-O 2.96Å; G277-T314 PolarHBondContact N-OG1 2.89Å | ||
| 278 | A | 93.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 49 Ų | 49 | 31% | 0.314 | 29% | 0.294 | S | S | . | . | trans | -84.5 | 134.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | G276 Q313 T314 | G276-A278 VanDerWaalsContact C-N 3.31Å; G276-A278 PolarHBondContact O-N 3.32Å; A278-Q313 VanDerWaalsContact C-OE1 3.29Å; A278-Q313 WeakPolarHBondContact O-CA 3.43Å; A278-Q313 PolarHBondContact O-OE1 2.96Å; A278-T314 HydrophobicContact CB-CG2 4.37Å; A278-T314 WeakPolarHBondContact CB-OG1 3.36Å; A278-T314 PolarHBondContact N-OG1 2.75Å; A278-T314 PolarHBondContact O-N 2.82Å; A278-T314 PolarHBondContact O-OG1 2.99Å | ||
| 279 | T | 95.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 52 Ų | 52 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | R311 Q313 | T279-R311 HydrophobicContact CG2-CG 3.77Å; T279-Q313 VanDerWaalsContact OG1-CD 3.26Å; T279-Q313 PolarHBondContact OG1-NE2 3.35Å; T279-Q313 PolarHBondContact OG1-OE1 2.77Å |
| 280 | V | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.2 | -178.2 | 170.8 | 0 | 0 | 0 | 0 | 109.2 | I267 I282 V312 T314 F342 | I267-V280 HydrophobicContact CG2-CG1 3.34Å; V280-I282 HydrophobicContact CG1-CG1 4.44Å; V280-V312 PolarHBondContact N-O 2.97Å; V280-V312 PolarHBondContact O-N 2.99Å; V280-T314 HydrophobicContact CB-CG2 4.47Å; V280-T314 HydrophobicContact CG2-CG2 3.54Å; V280-F342 HydrophobicContact CG2-CD2 4.45Å; V280-F342 HydrophobicContact CG2-CE2 3.73Å; V280-F342 HydrophobicContact CG2-CZ 4.35Å |
| 281 | I | 97.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123 | 171.4 | -52.8 | -53 | 0 | 0 | 0 | 108.5 | S268 I283 I305 A309 I310 R311 | S268-I281 PolarHBondContact N-O 2.64Å; S268-I281 PolarHBondContact O-N 2.78Å; I281-I283 HydrophobicContact CG2-CG1 4.16Å; I281-I305 HydrophobicContact CD1-CD1 3.88Å; I281-A309 HydrophobicContact CG2-CB 4.2Å; I281-I310 WeakPolarHBondContact CA-O 3.46Å; I281-R311 HydrophobicContact CD1-CB 3.83Å; I281-R311 HydrophobicContact CD1-CG 4.04Å |
| 282 | I | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.7 | 170.6 | -58.9 | -178.7 | 0 | 0 | 0 | 107.4 | I264 I267 V280 F287 V293 A309 I310 V312 V325 | I264-I282 HydrophobicContact CB-CG2 4.47Å; I264-I282 HydrophobicContact CD1-CG2 4.36Å; I264-I282 HydrophobicContact CG1-CG2 3.94Å; I264-I282 HydrophobicContact CG2-CG2 3.94Å; I267-I282 HydrophobicContact CD1-CD1 4.36Å; I267-I282 HydrophobicContact CD1-CG1 4.32Å; I267-I282 HydrophobicContact CG1-CG1 4.15Å; I267-I282 HydrophobicContact CG1-CG2 4.3Å; I267-I282 HydrophobicContact CG2-CG1 4.35Å; V280-I282 HydrophobicContact CG1-CG1 4.44Å; I282-F287 HydrophobicContact CG2-CE2 4.49Å; I282-F287 HydrophobicContact CG2-CZ 4.1Å; I282-F287 WeakPolarHBondContact O-CE2 3.44Å; I282-V293 HydrophobicContact CD1-CB 4.44Å; I282-V293 HydrophobicContact CD1-CG1 3.58Å; I282-V293 HydrophobicContact CD1-CG2 3.97Å; I282-A309 WeakPolarHBondContact O-CA 3.29Å; I282-I310 HydrophobicContact CB-CD1 4.26Å; I282-I310 HydrophobicContact CB-CG1 3.77Å; I282-I310 HydrophobicContact CG2-CG1 4.41Å; I282-I310 PolarHBondContact N-O 2.84Å; I282-I310 PolarHBondContact O-N 3.31Å; I282-V312 HydrophobicContact CD1-CG2 3.96Å; I282-V312 HydrophobicContact CG1-CG2 4.25Å; I282-V325 HydrophobicContact CD1-CG1 3.76Å |
| 283 | I | 97.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.3 | -177.7 | -56.5 | 174.6 | 0 | 0 | 0 | 108.4 | K265 A266 I281 H308 | K265-I283 PolarHBondContact N-O 3Å; A266-I283 HydrophobicContact CB-CB 4.35Å; A266-I283 PolarHBondContact N-O 3.03Å; A266-I283 PolarHBondContact O-N 3.13Å; I281-I283 HydrophobicContact CG2-CG1 4.16Å; I283-H308 WeakPolarHBondContact CA-O 3.23Å |
| 284 | G | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -147.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S263 H308 | S263-G284 VanDerWaalsContact O-CA 3.23Å; S263-G284 WeakPolarHBondContact O-CA 3.26Å; G284-H308 PolarHBondContact N-O 3.34Å; G284-H308 VanDerWaalsContact O-CA 3.26Å; G284-H308 WeakPolarHBondContact O-CA 3.32Å; G284-H308 VanDerWaalsContact O-CB 3.28Å; G284-H308 WeakPolarHBondContact O-CB 3.45Å; G284-H308 PolarHBondContact O-ND1 2.83Å |
| 285 | D | 93.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 37 Ų | 37 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 157.1 | 175.5 | -47.6 | -60.3 | 0 | 0 | 0 | 112 | P262 S263 K265 F287 P307 H308 | P262-D285 WeakPolarHBondContact CA-O 3.33Å; S263-D285 PolarHBondContact N-O 3.12Å; S263-D285 VanDerWaalsContact N-O 3.13Å; S263-D285 PolarHBondContact O-N 3.26Å; S263-D285 WeakPolarHBondContact OG-CB 3.45Å; S263-D285 PolarHBondContact OG-N 2.95Å; S263-D285 PolarHBondContact OG-OD2 3.01Å; S263-D285 VanDerWaalsContact OG-OD2 3.14Å; K265-D285 WeakPolarHBondContact CE-OD2 3.15Å; K265-D285 IonicContact NZ-OD1 3.98Å; K265-D285 PolarHBondContact NZ-OD1 3.44Å; K265-D285 IonicContact NZ-OD2 3.82Å; K265-D285 PolarHBondContact NZ-OD2 3.05Å; D285-F287 VanDerWaalsContact C-N 3.28Å; D285-F287 PolarHBondContact O-N 2.91Å; D285-P307 CarbonylContact C-O 3.53Å; D285-H308 IonicContact OD1-CE1 3.38Å; D285-H308 PolarHBondContact OD1-CE1 3.48Å; D285-H308 IonicContact OD1-ND1 2.91Å; D285-H308 PolarHBondContact OD1-ND1 2.89Å |
| 286 | N | 91.5 | Very high | 94.1 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | trans | 60 | 33 | 171.3 | -42.2 | -67.9 | 0 | 0 | 0 | 114.2 | A260 F288 P307 | A260-N286 WeakPolarHBondContact CB-ND2 3.28Å; A260-N286 WeakPolarHBondContact O-CB 3.45Å; A260-N286 PolarHBondContact O-ND2 3.13Å; N286-F288 WeakPolarHBondContact O-CD1 3.45Å; N286-P307 PolarHBondContact N-O 3.02Å | ||
| 287 | F | 94.1 | Very high | 94 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -72.8 | 146.5 | 170.2 | -55.8 | -27.3 | 0 | 0 | 0 | 111.1 | P262 S263 I282 D285 L291 L304 P307 I310 L327 | P262-F287 HydrophobicContact CB-CD1 4.29Å; S263-F287 WeakPolarHBondContact O-CE1 3.21Å; S263-F287 VanDerWaalsContact O-CZ 3.29Å; S263-F287 WeakPolarHBondContact O-CZ 3.03Å; I282-F287 HydrophobicContact CG2-CE2 4.49Å; I282-F287 HydrophobicContact CG2-CZ 4.1Å; I282-F287 WeakPolarHBondContact O-CE2 3.44Å; D285-F287 VanDerWaalsContact C-N 3.28Å; D285-F287 PolarHBondContact O-N 2.91Å; F287-L291 HydrophobicContact CB-CD2 4.14Å; F287-L291 HydrophobicContact CD1-CD2 3.71Å; F287-L291 HydrophobicContact CG-CD2 4.2Å; F287-L304 HydrophobicContact CB-CD1 3.66Å; F287-P307 PolarHBondContact N-O 2.87Å; F287-P307 WeakPolarHBondContact O-CA 3.28Å; F287-I310 HydrophobicContact CB-CG2 3.73Å; F287-I310 HydrophobicContact CD2-CB 4.3Å; F287-I310 HydrophobicContact CD2-CD1 4.36Å; F287-I310 HydrophobicContact CD2-CG1 4.08Å; F287-I310 HydrophobicContact CD2-CG2 3.69Å; F287-I310 HydrophobicContact CE2-CD1 4.35Å; F287-I310 HydrophobicContact CE2-CG1 4.05Å; F287-I310 HydrophobicContact CG-CD1 4.47Å; F287-I310 HydrophobicContact CG-CG2 3.85Å; F287-I310 HydrophobicContact CZ-CD1 4.44Å; F287-L327 HydrophobicContact CD1-CD1 4.25Å; F287-L327 HydrophobicContact CE1-CD1 3.66Å | ||
| 288 | F | 92.7 | Very high | 94.1 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -148.7 | 165.8 | -177.4 | 56 | -96.1 | 0 | 0 | 0 | 110.5 | P262 N286 L291 Y329 | P262-F288 HydrophobicContact CG-CE1 4.35Å; N286-F288 WeakPolarHBondContact O-CD1 3.45Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; F288-L291 HydrophobicContact CE2-CB 4.42Å; F288-L291 HydrophobicContact CE2-CD1 4.45Å; F288-L291 HydrophobicContact CZ-CD1 4.01Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.02Å; F288-Y329 HydrophobicContact CD2-CE2 4.48Å; F288-Y329 AromaticContact CE2-CD1 3.88Å; F288-Y329 HydrophobicContact CE2-CD1 3.88Å; F288-Y329 AromaticContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CE1 4.02Å; F288-Y329 AromaticContact CE2-CE2 3.76Å; F288-Y329 HydrophobicContact CE2-CE2 3.76Å; F288-Y329 AromaticContact CE2-CG 3.66Å; F288-Y329 HydrophobicContact CE2-CG 3.66Å; F288-Y329 AromaticContact CE2-CZ 3.94Å; F288-Y329 HydrophobicContact CZ-CD1 4.02Å; F288-Y329 HydrophobicContact CZ-CD2 4.31Å; F288-Y329 HydrophobicContact CZ-CE1 4.49Å; F288-Y329 AromaticContact CZ-CG 3.9Å; F288-Y329 HydrophobicContact CZ-CG 3.9Å | ||
| 289 | D | 89.9 | Confident | 94 | Very high | 131 Ų | 131 | 43.6 Ų | 43.6 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 142.9 | -174.5 | -174.2 | 29.7 | 0 | 0 | 0 | 112.9 | L291 | D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 3.45Å |
| 290 | G | 89 | Confident | 94 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y329 | G290-Y329 WeakPolarHBondContact O-CD2 3.48Š|
| 291 | L | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -65.6 | 132.6 | 169.3 | -173.3 | 65.7 | 0 | 0 | 0 | 110.1 | P262 F287 F288 D289 S302 I310 L327 | P262-L291 HydrophobicContact CB-CD2 4.31Å; F287-L291 HydrophobicContact CB-CD2 4.14Å; F287-L291 HydrophobicContact CD1-CD2 3.71Å; F287-L291 HydrophobicContact CG-CD2 4.2Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; F288-L291 HydrophobicContact CE2-CB 4.42Å; F288-L291 HydrophobicContact CE2-CD1 4.45Å; F288-L291 HydrophobicContact CZ-CD1 4.01Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.02Å; D289-L291 VanDerWaalsContact C-N 3.26Å; D289-L291 PolarHBondContact O-N 3.45Å; L291-S302 PolarHBondContact O-OG 2.91Å; L291-I310 HydrophobicContact CD2-CD1 4.41Å; L291-L327 HydrophobicContact CD1-CB 4.25Å; L291-L327 HydrophobicContact CD2-CD1 4.38Å | ||
| 292 | Q | 94.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.7 | -179.3 | -62.9 | 172.2 | -41.3 | 0 | 0 | 110.2 | L299 W301 L327 S328 | Q292-L299 HydrophobicContact CB-CD1 4.33Å; Q292-L299 HydrophobicContact CB-CD2 4.24Å; Q292-L299 HydrophobicContact CB-CG 4.27Å; Q292-L299 HydrophobicContact CG-CD2 4.29Å; Q292-W301 HydrophobicContact CG-CE3 4.37Å; Q292-W301 HydrophobicContact CG-CZ3 4.4Å; Q292-L327 CarbonylContact O-C 3.55Å; Q292-L327 WeakPolarHBondContact O-CA 3.42Å; Q292-S328 WeakPolarHBondContact CB-O 3.45Å; Q292-S328 PolarHBondContact N-O 2.78Å; Q292-S328 PolarHBondContact O-N 2.89Å |
| 293 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.4 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | I282 F295 L299 V300 I310 V312 V325 L327 | I282-V293 HydrophobicContact CD1-CB 4.44Å; I282-V293 HydrophobicContact CD1-CG1 3.58Å; I282-V293 HydrophobicContact CD1-CG2 3.97Å; V293-F295 HydrophobicContact CG1-CD2 3.94Å; V293-F295 HydrophobicContact CG1-CE2 3.65Å; V293-L299 CarbonylContact O-C 3.53Å; V293-V300 PolarHBondContact N-O 2.78Å; V293-V300 PolarHBondContact O-N 3.27Å; V293-I310 HydrophobicContact CG2-CD1 3.54Å; V293-V312 HydrophobicContact CB-CG1 4.28Å; V293-V312 HydrophobicContact CB-CG2 4.25Å; V293-V312 HydrophobicContact CG1-CG1 4.35Å; V293-V312 HydrophobicContact CG1-CG2 4.34Å; V293-V312 HydrophobicContact CG2-CG2 3.89Å; V293-V325 HydrophobicContact CG1-CG1 3.68Å; V293-L327 HydrophobicContact CG2-CD2 3.87Å |
| 294 | I | 96.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.4 | 179.9 | -58.3 | 174.1 | 0 | 0 | 0 | 108.8 | G296 M298 L299 V325 T326 Q333 | I294-G296 WeakPolarHBondContact CG2-O 3.46Å; I294-M298 CarbonylContact C-O 3.59Å; I294-M298 WeakPolarHBondContact CA-O 3.29Å; I294-L299 HydrophobicContact CD1-CD1 4.49Å; I294-L299 HydrophobicContact CG1-CB 4.27Å; I294-L299 HydrophobicContact CG1-CD1 4.32Å; I294-L299 HydrophobicContact CG1-CG 4.26Å; I294-V325 WeakPolarHBondContact O-CA 3.32Å; I294-T326 PolarHBondContact N-O 2.87Å; I294-T326 PolarHBondContact O-N 2.89Å; I294-Q333 HydrophobicContact CD1-CG 4.29Å |
| 295 | F | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 95.2 | 169.7 | -76.6 | -104.4 | 0 | 0 | 0 | 108.4 | V293 T297 M298 V300 V312 T314 P315 V323 V325 F342 Y344 | V293-F295 HydrophobicContact CG1-CD2 3.94Å; V293-F295 HydrophobicContact CG1-CE2 3.65Å; F295-T297 PolarHBondContact O-N 2.93Å; F295-M298 PolarHBondContact N-O 3.15Å; F295-M298 PolarHBondContact O-N 3.11Å; F295-V300 HydrophobicContact CD2-CG2 3.85Å; F295-V300 HydrophobicContact CE2-CG2 4.36Å; F295-V312 HydrophobicContact CE2-CG1 3.9Å; F295-T314 HydrophobicContact CE1-CG2 4.22Å; F295-T314 HydrophobicContact CZ-CG2 4.33Å; F295-P315 HydrophobicContact CB-CG 3.82Å; F295-P315 HydrophobicContact CD2-CG 4.27Å; F295-P315 HydrophobicContact CG-CG 4.09Å; F295-V323 VanDerWaalsContact C-CG1 3.49Å; F295-V323 HydrophobicContact CB-CG1 4.07Å; F295-V325 HydrophobicContact CD1-CG2 3.78Å; F295-V325 HydrophobicContact CE1-CG2 3.86Å; F295-V325 HydrophobicContact CE2-CG1 4.49Å; F295-V325 HydrophobicContact CG-CG2 4.3Å; F295-V325 HydrophobicContact CZ-CG2 4.45Å; F295-F342 HydrophobicContact CD1-CB 4.29Å; F295-F342 HydrophobicContact CD1-CD1 4.26Å; F295-F342 HydrophobicContact CD1-CG 4.33Å; F295-F342 HydrophobicContact CE1-CB 3.98Å; F295-F342 HydrophobicContact CE1-CD1 4.01Å; F295-F342 HydrophobicContact CE1-CD2 4.23Å; F295-F342 AromaticContact CE1-CG 3.79Å; F295-F342 HydrophobicContact CE1-CG 3.79Å; F295-Y344 HydrophobicContact CD1-CE2 4.39Å |
| 296 | G | 91.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -88 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I294 V323 E324 | I294-G296 WeakPolarHBondContact CG2-O 3.46Å; G296-V323 VanDerWaalsContact N-CG1 3.28Å; G296-E324 WeakPolarHBondContact CA-O 3.43Å; G296-E324 PolarHBondContact N-O 3.29Å |
| 297 | T | 90.2 | Very high | 93.6 | Very high | 136 Ų | 136 | 59.8 Ų | 59.8 | 83% | 0.834 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -11.6 | 175.3 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | F295 | F295-T297 PolarHBondContact O-N 2.93Š|
| 298 | M | 93.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 64 Ų | 64 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.4 | -177.2 | -67.1 | -167.5 | 73.1 | 0 | 0 | 111.1 | I294 F295 P315 | I294-M298 CarbonylContact C-O 3.59Å; I294-M298 WeakPolarHBondContact CA-O 3.29Å; F295-M298 PolarHBondContact N-O 3.15Å; F295-M298 PolarHBondContact O-N 3.11Å; M298-P315 HydrophobicContact CB-CB 4.21Å; M298-P315 HydrophobicContact CB-CG 4.01Å; M298-P315 HydrophobicContact CE-CB 3.9Å; M298-P315 HydrophobicContact SD-CB 4.01Å; M298-P315 HydrophobicContact SD-CG 4.45Å |
| 299 | L | 93.1 | Very high | 93.8 | Very high | 85 Ų | 85 | 62.5 Ų | 62.5 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.5 | 176.2 | -171.4 | 149.3 | 0 | 0 | 0 | 111 | Q292 V293 I294 | Q292-L299 HydrophobicContact CB-CD1 4.33Å; Q292-L299 HydrophobicContact CB-CD2 4.24Å; Q292-L299 HydrophobicContact CB-CG 4.27Å; Q292-L299 HydrophobicContact CG-CD2 4.29Å; V293-L299 CarbonylContact O-C 3.53Å; I294-L299 HydrophobicContact CD1-CD1 4.49Å; I294-L299 HydrophobicContact CG1-CB 4.27Å; I294-L299 HydrophobicContact CG1-CD1 4.32Å; I294-L299 HydrophobicContact CG1-CG 4.26Å |
| 300 | V | 95.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.7 | -179.6 | -160.1 | 0 | 0 | 0 | 0 | 109.5 | V293 F295 V312 Q313 P315 | V293-V300 PolarHBondContact N-O 2.78Å; V293-V300 PolarHBondContact O-N 3.27Å; F295-V300 HydrophobicContact CD2-CG2 3.85Å; F295-V300 HydrophobicContact CE2-CG2 4.36Å; V300-V312 HydrophobicContact CB-CG1 3.84Å; V300-V312 HydrophobicContact CG1-CG1 3.6Å; V300-V312 HydrophobicContact CG2-CG1 4.47Å; V300-Q313 WeakPolarHBondContact CG1-O 3.18Å; V300-P315 HydrophobicContact CG2-CB 4.36Å; V300-P315 HydrophobicContact CG2-CG 3.92Å |
| 301 | W | 91.1 | Very high | 94.5 | Very high | 190 Ų | 190 | 59.5 Ų | 59.5 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.9 | 168 | -61 | 100.8 | 0 | 0 | 0 | 110.1 | Q292 | Q292-W301 HydrophobicContact CG-CE3 4.37Å; Q292-W301 HydrophobicContact CG-CZ3 4.4Å |
| 302 | S | 94.2 | Very high | 94.7 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | trans | -109.8 | 152.6 | 170 | 87.1 | 0 | 0 | 0 | 0 | 110.8 | L291 R311 | L291-S302 PolarHBondContact O-OG 2.91Å; S302-R311 WeakPolarHBondContact CA-O 3.47Å | ||
| 303 | E | 96 | Very high | 94.8 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.3 | 178.9 | -179.6 | -172 | 176.8 | 0 | 0 | 108.5 | I305 I310 R311 | E303-I305 PolarHBondContact O-N 2.8Å; E303-I310 CarbonylContact O-C 3.6Å; E303-I310 WeakPolarHBondContact O-CA 3.32Å; E303-R311 HydrophobicContact CB-CB 4.32Å; E303-R311 PolarHBondContact N-O 2.84Å; E303-R311 PolarHBondContact O-N 2.84Å; E303-R311 IonicContact OE1-CZ 2.67Å; E303-R311 IonicContact OE1-NE 3.63Å; E303-R311 IonicContact OE1-NH2 2.68Å; E303-R311 PolarHBondContact OE1-NH2 3.34Å; E303-R311 IonicContact OE2-CZ 3.57Å; E303-R311 IonicContact OE2-NE 2.7Å; E303-R311 PolarHBondContact OE2-NE 3.49Å; E303-R311 IonicContact OE2-NH2 2.7Å; E303-R311 PolarHBondContact OE2-NH2 2.8Å |
| 304 | L | 95.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 62 Ų | 62 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.3 | -177.2 | -171.3 | 72.6 | 0 | 0 | 0 | 110.9 | F287 T306 I310 | F287-L304 HydrophobicContact CB-CD1 3.66Å; L304-T306 WeakPolarHBondContact CD1-O 3.49Å; L304-I310 HydrophobicContact CD1-CG2 3.85Å |
| 305 | I | 95.2 | Very high | 94.8 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -51.3 | 167.6 | -49.8 | 179.7 | 0 | 0 | 0 | 109 | I281 E303 A309 R311 | I281-I305 HydrophobicContact CD1-CD1 3.88Å; E303-I305 PolarHBondContact O-N 2.8Å; I305-A309 HydrophobicContact CB-CB 4.38Å; I305-A309 WeakPolarHBondContact CB-O 3.41Å; I305-A309 PolarHBondContact N-O 3.04Å; I305-R311 HydrophobicContact CD1-CB 4.12Å; I305-R311 HydrophobicContact CG1-CB 4.27Å |
| 306 | T | 94 | Very high | 94.7 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 167.6 | 176.7 | 75.1 | 0 | 0 | 0 | 0 | 110 | L304 H308 A309 | L304-T306 WeakPolarHBondContact CD1-O 3.49Å; T306-H308 PolarHBondContact O-N 3.21Å; T306-H308 PolarHBondContact OG1-N 2.63Å; T306-H308 VanDerWaalsContact OG1-N 3.12Å; T306-A309 PolarHBondContact N-O 3.44Å; T306-A309 CarbonylContact O-C 3.55Å; T306-A309 PolarHBondContact O-N 2.86Å; T306-A309 PolarHBondContact OG1-N 2.93Å; T306-A309 VanDerWaalsContact OG1-N 3.13Å |
| 307 | P | 93.2 | Very high | 94.7 | Very high | 72 Ų | 72 | 67.4 Ų | 67.4 | 47% | 0.468 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -7.4 | 170.5 | -26.2 | 36.5 | 0 | 0 | 0 | 115.7 | D285 N286 F287 | D285-P307 CarbonylContact C-O 3.53Å; N286-P307 PolarHBondContact N-O 3.02Å; F287-P307 PolarHBondContact N-O 2.87Å; F287-P307 WeakPolarHBondContact O-CA 3.28Å |
| 308 | H | 95.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 69.1 Ų | 69.1 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -2.5 | 176.5 | -60.2 | -80.4 | 0 | 0 | 0 | 113.8 | I283 G284 D285 T306 | I283-H308 WeakPolarHBondContact CA-O 3.23Å; G284-H308 PolarHBondContact N-O 3.34Å; G284-H308 VanDerWaalsContact O-CA 3.26Å; G284-H308 WeakPolarHBondContact O-CA 3.32Å; G284-H308 VanDerWaalsContact O-CB 3.28Å; G284-H308 WeakPolarHBondContact O-CB 3.45Å; G284-H308 PolarHBondContact O-ND1 2.83Å; D285-H308 IonicContact OD1-CE1 3.38Å; D285-H308 PolarHBondContact OD1-CE1 3.48Å; D285-H308 IonicContact OD1-ND1 2.91Å; D285-H308 PolarHBondContact OD1-ND1 2.89Å; T306-H308 PolarHBondContact O-N 3.21Å; T306-H308 PolarHBondContact OG1-N 2.63Å; T306-H308 VanDerWaalsContact OG1-N 3.12Å |
| 309 | A | 96.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 124.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I281 I282 I305 T306 | I281-A309 HydrophobicContact CG2-CB 4.2Å; I282-A309 WeakPolarHBondContact O-CA 3.29Å; I305-A309 HydrophobicContact CB-CB 4.38Å; I305-A309 WeakPolarHBondContact CB-O 3.41Å; I305-A309 PolarHBondContact N-O 3.04Å; T306-A309 PolarHBondContact N-O 3.44Å; T306-A309 CarbonylContact O-C 3.55Å; T306-A309 PolarHBondContact O-N 2.86Å; T306-A309 PolarHBondContact OG1-N 2.93Å; T306-A309 VanDerWaalsContact OG1-N 3.13Å |
| 310 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.7 | 171.1 | 57.1 | -174.6 | 0 | 0 | 0 | 110.7 | I281 I282 F287 L291 V293 E303 L304 V312 L327 | I281-I310 WeakPolarHBondContact CA-O 3.46Å; I282-I310 HydrophobicContact CB-CD1 4.26Å; I282-I310 HydrophobicContact CB-CG1 3.77Å; I282-I310 HydrophobicContact CG2-CG1 4.41Å; I282-I310 PolarHBondContact N-O 2.84Å; I282-I310 PolarHBondContact O-N 3.31Å; F287-I310 HydrophobicContact CB-CG2 3.73Å; F287-I310 HydrophobicContact CD2-CB 4.3Å; F287-I310 HydrophobicContact CD2-CD1 4.36Å; F287-I310 HydrophobicContact CD2-CG1 4.08Å; F287-I310 HydrophobicContact CD2-CG2 3.69Å; F287-I310 HydrophobicContact CE2-CD1 4.35Å; F287-I310 HydrophobicContact CE2-CG1 4.05Å; F287-I310 HydrophobicContact CG-CD1 4.47Å; F287-I310 HydrophobicContact CG-CG2 3.85Å; F287-I310 HydrophobicContact CZ-CD1 4.44Å; L291-I310 HydrophobicContact CD2-CD1 4.41Å; V293-I310 HydrophobicContact CG2-CD1 3.54Å; E303-I310 CarbonylContact O-C 3.6Å; E303-I310 WeakPolarHBondContact O-CA 3.32Å; L304-I310 HydrophobicContact CD1-CG2 3.85Å; I310-V312 HydrophobicContact CG1-CG2 4.5Å; I310-L327 HydrophobicContact CD1-CD2 4.05Å |
| 311 | R | 97.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 69 Ų | 69 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.5 | 173.1 | 176.7 | 161.9 | 69.6 | -177.8 | 0.8 | 110.3 | T279 I281 S302 E303 I305 | T279-R311 HydrophobicContact CG2-CG 3.77Å; I281-R311 HydrophobicContact CD1-CB 3.83Å; I281-R311 HydrophobicContact CD1-CG 4.04Å; S302-R311 WeakPolarHBondContact CA-O 3.47Å; E303-R311 HydrophobicContact CB-CB 4.32Å; E303-R311 PolarHBondContact N-O 2.84Å; E303-R311 PolarHBondContact O-N 2.84Å; E303-R311 IonicContact OE1-CZ 2.67Å; E303-R311 IonicContact OE1-NE 3.63Å; E303-R311 IonicContact OE1-NH2 2.68Å; E303-R311 PolarHBondContact OE1-NH2 3.34Å; E303-R311 IonicContact OE2-CZ 3.57Å; E303-R311 IonicContact OE2-NE 2.7Å; E303-R311 PolarHBondContact OE2-NE 3.49Å; E303-R311 IonicContact OE2-NH2 2.7Å; E303-R311 PolarHBondContact OE2-NH2 2.8Å; I305-R311 HydrophobicContact CD1-CB 4.12Å; I305-R311 HydrophobicContact CG1-CB 4.27Å |
| 312 | V | 97 | Very high | 94.2 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.3 | 179.8 | -159.4 | 0 | 0 | 0 | 0 | 109.4 | V280 I282 V293 F295 V300 I310 | V280-V312 PolarHBondContact N-O 2.97Å; V280-V312 PolarHBondContact O-N 2.99Å; I282-V312 HydrophobicContact CD1-CG2 3.96Å; I282-V312 HydrophobicContact CG1-CG2 4.25Å; V293-V312 HydrophobicContact CB-CG1 4.28Å; V293-V312 HydrophobicContact CB-CG2 4.25Å; V293-V312 HydrophobicContact CG1-CG1 4.35Å; V293-V312 HydrophobicContact CG1-CG2 4.34Å; V293-V312 HydrophobicContact CG2-CG2 3.89Å; F295-V312 HydrophobicContact CE2-CG1 3.9Å; V300-V312 HydrophobicContact CB-CG1 3.84Å; V300-V312 HydrophobicContact CG1-CG1 3.6Å; V300-V312 HydrophobicContact CG2-CG1 4.47Å; I310-V312 HydrophobicContact CG1-CG2 4.5Å |
| 313 | Q | 96.6 | Very high | 94.3 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.5 | 167.4 | -59.5 | -64.2 | -4.2 | 0 | 0 | 109.4 | G277 A278 T279 V300 | G277-Q313 PolarHBondContact O-OE1 2.88Å; A278-Q313 VanDerWaalsContact C-OE1 3.29Å; A278-Q313 WeakPolarHBondContact O-CA 3.43Å; A278-Q313 PolarHBondContact O-OE1 2.96Å; T279-Q313 VanDerWaalsContact OG1-CD 3.26Å; T279-Q313 PolarHBondContact OG1-NE2 3.35Å; T279-Q313 PolarHBondContact OG1-OE1 2.77Å; V300-Q313 WeakPolarHBondContact CG1-O 3.18Å |
| 314 | T | 96.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 131.6 | -179.7 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | G276 G277 A278 V280 F295 F342 | G276-T314 CarbonylContact C-O 3.55Å; G276-T314 VanDerWaalsContact CA-O 3.3Å; G276-T314 WeakPolarHBondContact CA-O 3.45Å; G276-T314 WeakPolarHBondContact CA-OG1 3.45Å; G277-T314 PolarHBondContact N-O 2.96Å; G277-T314 PolarHBondContact N-OG1 2.89Å; A278-T314 HydrophobicContact CB-CG2 4.37Å; A278-T314 WeakPolarHBondContact CB-OG1 3.36Å; A278-T314 PolarHBondContact N-OG1 2.75Å; A278-T314 PolarHBondContact O-N 2.82Å; A278-T314 PolarHBondContact O-OG1 2.99Å; V280-T314 HydrophobicContact CB-CG2 4.47Å; V280-T314 HydrophobicContact CG2-CG2 3.54Å; F295-T314 HydrophobicContact CE1-CG2 4.22Å; F295-T314 HydrophobicContact CZ-CG2 4.33Å; T314-F342 HydrophobicContact CG2-CE1 3.91Å; T314-F342 HydrophobicContact CG2-CE2 4.03Å; T314-F342 HydrophobicContact CG2-CZ 3.53Å |
| 315 | P | 96.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -72 | 149.8 | 174.5 | 27 | -30.6 | 0 | 0 | 0 | 110.4 | F295 M298 V300 Y344 | F295-P315 HydrophobicContact CB-CG 3.82Å; F295-P315 HydrophobicContact CD2-CG 4.27Å; F295-P315 HydrophobicContact CG-CG 4.09Å; M298-P315 HydrophobicContact CB-CB 4.21Å; M298-P315 HydrophobicContact CB-CG 4.01Å; M298-P315 HydrophobicContact CE-CB 3.9Å; M298-P315 HydrophobicContact SD-CB 4.01Å; M298-P315 HydrophobicContact SD-CG 4.45Å; V300-P315 HydrophobicContact CG2-CB 4.36Å; V300-P315 HydrophobicContact CG2-CG 3.92Å; P315-Y344 VanDerWaalsContact CD-OH 3.26Å; P315-Y344 WeakPolarHBondContact CD-OH 3.5Å; P315-Y344 WeakPolarHBondContact CG-OH 3.45Å; P315-Y344 WeakPolarHBondContact O-CE1 3.44Å; P315-Y344 PolarHBondContact O-OH 2.96Å |
| 316 | P | 94.3 | Very high | 94.4 | Very high | 86 Ų | 86 | 56 Ų | 56 | 56% | 0.558 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 138.9 | 171.9 | -20.2 | 32 | 0 | 0 | 0 | 111.5 | T275 | T275-P316 WeakPolarHBondContact O-CB 3.38Å; T275-P316 WeakPolarHBondContact O-CG 3.41Å |
| 317 | R | 92 | Very high | 94.5 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | trans | -143.7 | 120.4 | -178.5 | -170.1 | -175.8 | -170.9 | -122.3 | 14 | 110.8 | T274 I319 P320 Y344 | T274-R317 WeakPolarHBondContact CA-O 3.14Å; T274-R317 WeakPolarHBondContact CB-O 3.48Å; T274-R317 WeakPolarHBondContact CG2-O 3.37Å; T274-R317 PolarHBondContact O-N 2.86Å; T274-R317 VanDerWaalsContact O-O 3.11Å; R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 WeakPolarHBondContact CD-O 3.33Å; R317-I319 PolarHBondContact NH1-O 3.06Å; R317-I319 PolarHBondContact O-N 3.35Å; R317-P320 PolarHBondContact NH1-O 2.67Å; R317-Y344 HydrophobicContact CB-CD1 3.98Å; R317-Y344 HydrophobicContact CB-CD2 4.42Å; R317-Y344 HydrophobicContact CB-CE1 3.81Å; R317-Y344 HydrophobicContact CB-CE2 4.3Å; R317-Y344 HydrophobicContact CB-CG 4.23Å | ||
| 318 | H | 85.3 | Confident | 94.5 | Very high | 173 Ų | 173 | 50.2 Ų | 50.2 | 80% | 0.801 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -75.6 | -14.5 | -175.6 | 66.1 | -89.6 | 0 | 0 | 0 | 114.9 | ||
| 319 | I | 89.6 | Confident | 94.3 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -106.2 | 126.8 | 178.1 | -43.6 | -177.5 | 0 | 0 | 0 | 109.2 | R317 | R317-I319 VanDerWaalsContact C-N 3.32Å; R317-I319 WeakPolarHBondContact CD-O 3.33Å; R317-I319 PolarHBondContact NH1-O 3.06Å; R317-I319 PolarHBondContact O-N 3.35Å |
| 320 | P | 90.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | trans | -70.3 | 177.9 | 170.7 | 29.3 | -33.9 | 0 | 0 | 0 | 112.6 | T274 R317 Y344 A346 | T274-P320 HydrophobicContact CG2-CB 4.39Å; R317-P320 PolarHBondContact NH1-O 2.67Å; P320-Y344 CarbonylContact C-O 3.6Å; P320-Y344 WeakPolarHBondContact CA-O 3.44Å; P320-Y344 VanDerWaalsContact CB-O 3.26Å; P320-Y344 WeakPolarHBondContact CB-O 3.35Å; P320-A346 HydrophobicContact CB-CB 4.09Å; P320-A346 HydrophobicContact CG-CB 4.34Å | ||
| 321 | G | 92.1 | Very high | 93 | Very high | 32 Ų | 32 | 57.9 Ų | 57.9 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.7 | -175.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y344 | G321-Y344 PolarHBondContact N-O 2.79Å; G321-Y344 PolarHBondContact O-N 3.05Å |
| 322 | V | 94.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 57 Ų | 57 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 142.5 | -172.2 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | R341 I343 | V322-R341 HydrophobicContact CG1-CB 4.28Å; V322-R341 HydrophobicContact CG1-CG 4.46Å; V322-I343 HydrophobicContact CG2-CG1 4.38Å |
| 323 | V | 95.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.8 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | F295 G296 R341 F342 Y344 | F295-V323 VanDerWaalsContact C-CG1 3.49Å; F295-V323 HydrophobicContact CB-CG1 4.07Å; G296-V323 VanDerWaalsContact N-CG1 3.28Å; V323-R341 WeakPolarHBondContact O-CA 3.38Å; V323-F342 PolarHBondContact N-O 3.27Å; V323-F342 PolarHBondContact O-N 2.91Å; V323-Y344 HydrophobicContact CB-CD2 4.24Å; V323-Y344 HydrophobicContact CB-CE2 4.24Å; V323-Y344 HydrophobicContact CG2-CD2 3.57Å; V323-Y344 HydrophobicContact CG2-CE2 3.81Å |
| 324 | E | 96.1 | Very high | 92 | Very high | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.1 | 169.9 | -65.7 | -169.6 | 154.8 | 0 | 0 | 110.5 | G296 P339 G340 | G296-E324 WeakPolarHBondContact CA-O 3.43Å; G296-E324 PolarHBondContact N-O 3.29Å; E324-P339 HydrophobicContact CB-CB 3.86Å; E324-P339 HydrophobicContact CB-CG 4.12Å; E324-P339 HydrophobicContact CG-CB 4.24Å; E324-P339 HydrophobicContact CG-CG 3.93Å; E324-G340 CarbonylContact C-O 3.49Å; E324-G340 WeakPolarHBondContact CA-O 3.2Å |
| 325 | V | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.9 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | I264 I267 I282 V293 I294 F295 P339 G340 F342 | I264-V325 HydrophobicContact CD1-CG1 4.25Å; I264-V325 VanDerWaalsContact CD1-O 3.28Å; I264-V325 WeakPolarHBondContact CD1-O 3.46Å; I267-V325 HydrophobicContact CD1-CB 3.51Å; I267-V325 HydrophobicContact CD1-CG1 3.75Å; I267-V325 HydrophobicContact CD1-CG2 3.68Å; I282-V325 HydrophobicContact CD1-CG1 3.76Å; V293-V325 HydrophobicContact CG1-CG1 3.68Å; I294-V325 WeakPolarHBondContact O-CA 3.32Å; F295-V325 HydrophobicContact CD1-CG2 3.78Å; F295-V325 HydrophobicContact CE1-CG2 3.86Å; F295-V325 HydrophobicContact CE2-CG1 4.49Å; F295-V325 HydrophobicContact CG-CG2 4.3Å; F295-V325 HydrophobicContact CZ-CG2 4.45Å; V325-P339 WeakPolarHBondContact O-CA 3.41Å; V325-G340 PolarHBondContact N-O 2.91Å; V325-G340 PolarHBondContact O-N 3.25Å; V325-F342 HydrophobicContact CG2-CB 3.81Å |
| 326 | T | 96.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 168.5 | -178.3 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | I294 Q333 F334 P339 | I294-T326 PolarHBondContact N-O 2.87Å; I294-T326 PolarHBondContact O-N 2.89Å; T326-Q333 PolarHBondContact OG1-NE2 2.77Å; T326-F334 WeakPolarHBondContact CB-O 3.38Å; T326-P339 HydrophobicContact CG2-CB 3.94Å |
| 327 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 151.2 | -176.7 | -50.8 | 174.2 | 0 | 0 | 0 | 110.1 | P262 I264 F287 L291 Q292 V293 I310 Q333 F334 | P262-L327 HydrophobicContact CB-CD1 3.9Å; I264-L327 HydrophobicContact CD1-CD1 4.47Å; I264-L327 HydrophobicContact CD1-CD2 3.91Å; I264-L327 HydrophobicContact CD1-CG 3.94Å; I264-L327 HydrophobicContact CG1-CD1 3.91Å; I264-L327 HydrophobicContact CG1-CD2 4.03Å; I264-L327 HydrophobicContact CG1-CG 3.93Å; F287-L327 HydrophobicContact CD1-CD1 4.25Å; F287-L327 HydrophobicContact CE1-CD1 3.66Å; L291-L327 HydrophobicContact CD1-CB 4.25Å; L291-L327 HydrophobicContact CD2-CD1 4.38Å; Q292-L327 CarbonylContact O-C 3.55Å; Q292-L327 WeakPolarHBondContact O-CA 3.42Å; V293-L327 HydrophobicContact CG2-CD2 3.87Å; I310-L327 HydrophobicContact CD1-CD2 4.05Å; L327-Q333 CarbonylContact O-C 3.57Å; L327-Q333 VanDerWaalsContact O-CA 3.29Å; L327-Q333 WeakPolarHBondContact O-CA 3.5Å; L327-Q333 WeakPolarHBondContact O-CG 3.47Å; L327-F334 HydrophobicContact CB-CB 4.32Å; L327-F334 HydrophobicContact CB-CD2 4.4Å; L327-F334 PolarHBondContact N-O 2.99Å; L327-F334 PolarHBondContact O-N 3.49Å |
| 328 | S | 92.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 65.4 Ų | 65.4 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.6 | -178 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | Q292 K332 | Q292-S328 WeakPolarHBondContact CB-O 3.45Å; Q292-S328 PolarHBondContact N-O 2.78Å; Q292-S328 PolarHBondContact O-N 2.89Å; S328-K332 CarbonylContact C-O 3.57Å; S328-K332 VanDerWaalsContact CA-O 3.32Å; S328-K332 WeakPolarHBondContact CA-O 3.35Å |
| 329 | Y | 91.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 12% | 0.122 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 129.3 | 171.6 | -177 | -108.4 | 0 | 0 | 0 | 110.6 | F288 G290 S331 K332 | F288-Y329 HydrophobicContact CD2-CE2 4.48Å; F288-Y329 AromaticContact CE2-CD1 3.88Å; F288-Y329 HydrophobicContact CE2-CD1 3.88Å; F288-Y329 AromaticContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CD2 3.62Å; F288-Y329 HydrophobicContact CE2-CE1 4.02Å; F288-Y329 AromaticContact CE2-CE2 3.76Å; F288-Y329 HydrophobicContact CE2-CE2 3.76Å; F288-Y329 AromaticContact CE2-CG 3.66Å; F288-Y329 HydrophobicContact CE2-CG 3.66Å; F288-Y329 AromaticContact CE2-CZ 3.94Å; F288-Y329 HydrophobicContact CZ-CD1 4.02Å; F288-Y329 HydrophobicContact CZ-CD2 4.31Å; F288-Y329 HydrophobicContact CZ-CE1 4.49Å; F288-Y329 AromaticContact CZ-CG 3.9Å; F288-Y329 HydrophobicContact CZ-CG 3.9Å; G290-Y329 WeakPolarHBondContact O-CD2 3.48Å; Y329-S331 VanDerWaalsContact C-N 3.26Å; Y329-S331 PolarHBondContact O-N 2.73Å; Y329-K332 PolarHBondContact N-O 3.45Å; Y329-K332 WeakPolarHBondContact O-CB 3.49Å; Y329-K332 PolarHBondContact O-N 2.83Å |
| 330 | K | 85.9 | Confident | 91.3 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 49.9 | -179.7 | -64.7 | -176.6 | -177.6 | 174.7 | 0 | 112.8 | D248 K332 | D248-K330 WeakPolarHBondContact OD1-CD 3.13Å; D248-K330 IonicContact OD1-NZ 3.48Å; D248-K330 PolarHBondContact OD1-NZ 2.73Å; K330-K332 PolarHBondContact O-N 3.39Å; K330-K332 VanDerWaalsContact O-N 3.11Å |
| 331 | S | 82.1 | Confident | 91.6 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 90% | 0.895 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 6 | -178.5 | -49.5 | 0 | 0 | 0 | 0 | 116.4 | Y329 | Y329-S331 VanDerWaalsContact C-N 3.26Å; Y329-S331 PolarHBondContact O-N 2.73Å |
| 332 | K | 88.1 | Confident | 91.8 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.5 | 165.4 | -64.3 | -177.8 | 178.9 | 179.1 | 0 | 109.5 | E251 S328 Y329 K330 F334 | E251-K332 IonicContact OE1-NZ 3.91Å; E251-K332 PolarHBondContact OE1-NZ 2.92Å; S328-K332 CarbonylContact C-O 3.57Å; S328-K332 VanDerWaalsContact CA-O 3.32Å; S328-K332 WeakPolarHBondContact CA-O 3.35Å; Y329-K332 PolarHBondContact N-O 3.45Å; Y329-K332 WeakPolarHBondContact O-CB 3.49Å; Y329-K332 PolarHBondContact O-N 2.83Å; K330-K332 PolarHBondContact O-N 3.39Å; K330-K332 VanDerWaalsContact O-N 3.11Å; K332-F334 HydrophobicContact CB-CE2 4.31Å; K332-F334 HydrophobicContact CB-CZ 4.04Å |
| 333 | Q | 90.6 | Very high | 91.9 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.8 | -179.3 | -171.7 | -178.7 | 6.9 | 0 | 0 | 110.4 | I294 T326 L327 K336 | I294-Q333 HydrophobicContact CD1-CG 4.29Å; T326-Q333 PolarHBondContact OG1-NE2 2.77Å; L327-Q333 CarbonylContact O-C 3.57Å; L327-Q333 VanDerWaalsContact O-CA 3.29Å; L327-Q333 WeakPolarHBondContact O-CA 3.5Å; L327-Q333 WeakPolarHBondContact O-CG 3.47Å; Q333-K336 HydrophobicContact CG-CG 4.4Å |
| 334 | F | 91.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 173.3 | -175 | -46.9 | -92 | 0 | 0 | 0 | 111.1 | P262 T326 L327 K332 K336 | P262-F334 HydrophobicContact CG-CB 4.17Å; P262-F334 HydrophobicContact CG-CD1 3.9Å; P262-F334 HydrophobicContact CG-CD2 3.77Å; P262-F334 HydrophobicContact CG-CE1 4.2Å; P262-F334 HydrophobicContact CG-CE2 4.08Å; P262-F334 HydrophobicContact CG-CG 3.68Å; P262-F334 HydrophobicContact CG-CZ 4.29Å; T326-F334 WeakPolarHBondContact CB-O 3.38Å; L327-F334 HydrophobicContact CB-CB 4.32Å; L327-F334 HydrophobicContact CB-CD2 4.4Å; L327-F334 PolarHBondContact N-O 2.99Å; L327-F334 PolarHBondContact O-N 3.49Å; K332-F334 HydrophobicContact CB-CE2 4.31Å; K332-F334 HydrophobicContact CB-CZ 4.04Å; F334-K336 PolarHBondContact O-N 3.04Å; F334-K336 VanDerWaalsContact O-N 3.15Å |
| 335 | C | 88.4 | Confident | 91.6 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 11% | 0.108 | 29% | 0.29 | C | S | . | . | trans | 59.7 | 14.6 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 116.2 | P262 I264 G337 T338 P339 | P262-C335 PolarHBondContact O-SG 3.26Å; P262-C335 VanDerWaalsContact O-SG 3.32Å; I264-C335 HydrophobicContact CD1-CB 4.4Å; I264-C335 PolarHBondContact N-SG 3.46Å; C335-G337 VanDerWaalsContact C-N 3.31Å; C335-G337 PolarHBondContact O-N 3Å; C335-T338 CarbonylContact O-C 3.6Å; C335-T338 PolarHBondContact O-N 3.45Å; C335-T338 VanDerWaalsContact O-N 3.12Å; C335-P339 VanDerWaalsContact O-CA 3.3Å; C335-P339 WeakPolarHBondContact O-CA 3.49Å | ||
| 336 | K | 86.4 | Confident | 91.1 | Very high | 139 Ų | 139 | 53.7 Ų | 53.7 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -34.6 | 179.9 | -74.4 | -165.3 | 174 | -173.9 | 0 | 115.1 | Q333 F334 | Q333-K336 HydrophobicContact CG-CG 4.4Å; F334-K336 PolarHBondContact O-N 3.04Å; F334-K336 VanDerWaalsContact O-N 3.15Å |
| 337 | G | 85.6 | Confident | 90 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 80% | 0.804 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C335 | C335-G337 VanDerWaalsContact C-N 3.31Å; C335-G337 PolarHBondContact O-N 3Å |
| 338 | T | 89.9 | Confident | 88.8 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 63% | 0.632 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -142.5 | 64.3 | -177.9 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | C335 | C335-T338 CarbonylContact O-C 3.6Å; C335-T338 PolarHBondContact O-N 3.45Å; C335-T338 VanDerWaalsContact O-N 3.12Å |
| 339 | P | 94 | Very high | 87.7 | Confident | 25 Ų | 25 | 67 Ų | 67 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | trans | -69.9 | 147.3 | -177.9 | 28.3 | -33.9 | 0 | 0 | 0 | 110.3 | E324 V325 T326 C335 | E324-P339 HydrophobicContact CB-CB 3.86Å; E324-P339 HydrophobicContact CB-CG 4.12Å; E324-P339 HydrophobicContact CG-CB 4.24Å; E324-P339 HydrophobicContact CG-CG 3.93Å; V325-P339 WeakPolarHBondContact O-CA 3.41Å; T326-P339 HydrophobicContact CG2-CB 3.94Å; C335-P339 VanDerWaalsContact O-CA 3.3Å; C335-P339 WeakPolarHBondContact O-CA 3.49Å | ||
| 340 | G | 94.1 | Very high | 86.7 | Confident | 10 Ų | 10 | 70.4 Ų | 70.4 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 161.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E324 V325 | E324-G340 CarbonylContact C-O 3.49Å; E324-G340 WeakPolarHBondContact CA-O 3.2Å; V325-G340 PolarHBondContact N-O 2.91Å; V325-G340 PolarHBondContact O-N 3.25Å |
| 341 | R | 95.8 | Very high | 86.1 | Confident | 165 Ų | 165 | 69.1 Ų | 69.1 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.6 | 178.4 | -65.4 | -176.5 | 177.9 | -139.2 | -9.5 | 109.9 | V322 V323 | V322-R341 HydrophobicContact CG1-CB 4.28Å; V322-R341 HydrophobicContact CG1-CG 4.46Å; V323-R341 WeakPolarHBondContact O-CA 3.38Å |
| 342 | F | 96.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.7 | 175.3 | -174.8 | -92.8 | 0 | 0 | 0 | 109.5 | I267 P269 S270 G272 V280 F295 T314 V323 V325 Y344 | I267-F342 HydrophobicContact CG2-CD2 4.19Å; P269-F342 WeakPolarHBondContact O-CE2 3.45Å; S270-F342 CarbonylContact O-C 3.53Å; S270-F342 VanDerWaalsContact O-CA 3.32Å; S270-F342 WeakPolarHBondContact O-CA 3.26Å; G272-F342 VanDerWaalsContact N-CZ 3.32Å; V280-F342 HydrophobicContact CG2-CD2 4.45Å; V280-F342 HydrophobicContact CG2-CE2 3.73Å; V280-F342 HydrophobicContact CG2-CZ 4.35Å; F295-F342 HydrophobicContact CD1-CB 4.29Å; F295-F342 HydrophobicContact CD1-CD1 4.26Å; F295-F342 HydrophobicContact CD1-CG 4.33Å; F295-F342 HydrophobicContact CE1-CB 3.98Å; F295-F342 HydrophobicContact CE1-CD1 4.01Å; F295-F342 HydrophobicContact CE1-CD2 4.23Å; F295-F342 AromaticContact CE1-CG 3.79Å; F295-F342 HydrophobicContact CE1-CG 3.79Å; T314-F342 HydrophobicContact CG2-CE1 3.91Å; T314-F342 HydrophobicContact CG2-CE2 4.03Å; T314-F342 HydrophobicContact CG2-CZ 3.53Å; V323-F342 PolarHBondContact N-O 3.27Å; V323-F342 PolarHBondContact O-N 2.91Å; V325-F342 HydrophobicContact CG2-CB 3.81Å; F342-Y344 AromaticContact CD1-CD2 3.82Å; F342-Y344 HydrophobicContact CD1-CD2 3.82Å; F342-Y344 AromaticContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CG 4.44Å; F342-Y344 HydrophobicContact CE1-CD1 4.25Å; F342-Y344 HydrophobicContact CE1-CD2 4.05Å; F342-Y344 HydrophobicContact CE1-CE1 4.16Å; F342-Y344 AromaticContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CG 4.25Å |
| 343 | I | 96.1 | Very high | 85.5 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.9 | -176.4 | -50.8 | -177.5 | 0 | 0 | 0 | 109.9 | S270 E271 G272 V322 | S270-I343 PolarHBondContact O-N 3.43Å; E271-I343 CarbonylContact C-O 3.57Å; E271-I343 WeakPolarHBondContact CA-O 3.28Å; E271-I343 HydrophobicContact CB-CB 3.96Å; G272-I343 PolarHBondContact N-O 2.78Å; V322-I343 HydrophobicContact CG2-CG1 4.38Å |
| 344 | Y | 94.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.1 | 170.7 | -80.2 | -87.3 | 0 | 0 | 0 | 110.8 | G272 F295 P315 R317 P320 G321 V323 F342 | G272-Y344 CarbonylContact O-C 3.53Å; G272-Y344 WeakPolarHBondContact O-CA 3.39Å; F295-Y344 HydrophobicContact CD1-CE2 4.39Å; P315-Y344 VanDerWaalsContact CD-OH 3.26Å; P315-Y344 WeakPolarHBondContact CD-OH 3.5Å; P315-Y344 WeakPolarHBondContact CG-OH 3.45Å; P315-Y344 WeakPolarHBondContact O-CE1 3.44Å; P315-Y344 PolarHBondContact O-OH 2.96Å; R317-Y344 HydrophobicContact CB-CD1 3.98Å; R317-Y344 HydrophobicContact CB-CD2 4.42Å; R317-Y344 HydrophobicContact CB-CE1 3.81Å; R317-Y344 HydrophobicContact CB-CE2 4.3Å; R317-Y344 HydrophobicContact CB-CG 4.23Å; P320-Y344 CarbonylContact C-O 3.6Å; P320-Y344 WeakPolarHBondContact CA-O 3.44Å; P320-Y344 VanDerWaalsContact CB-O 3.26Å; P320-Y344 WeakPolarHBondContact CB-O 3.35Å; G321-Y344 PolarHBondContact N-O 2.79Å; G321-Y344 PolarHBondContact O-N 3.05Å; V323-Y344 HydrophobicContact CB-CD2 4.24Å; V323-Y344 HydrophobicContact CB-CE2 4.24Å; V323-Y344 HydrophobicContact CG2-CD2 3.57Å; V323-Y344 HydrophobicContact CG2-CE2 3.81Å; F342-Y344 AromaticContact CD1-CD2 3.82Å; F342-Y344 HydrophobicContact CD1-CD2 3.82Å; F342-Y344 AromaticContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CE2 3.66Å; F342-Y344 HydrophobicContact CD1-CG 4.44Å; F342-Y344 HydrophobicContact CE1-CD1 4.25Å; F342-Y344 HydrophobicContact CE1-CD2 4.05Å; F342-Y344 HydrophobicContact CE1-CE1 4.16Å; F342-Y344 AromaticContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CE2 3.92Å; F342-Y344 HydrophobicContact CE1-CG 4.25Å |
| 345 | T | 90.2 | Very high | 84.8 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.2 | 176.1 | -52.2 | 0 | 0 | 0 | 0 | 109.6 | G272 W273 T274 | G272-T345 PolarHBondContact O-N 3Å; W273-T345 WeakPolarHBondContact CA-O 3.43Å; W273-T345 HydrophobicContact CE3-CG2 4.46Å; W273-T345 HydrophobicContact CZ3-CG2 3.86Å; T274-T345 PolarHBondContact N-O 2.9Å |
| 346 | A | 86.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | trans | -121.3 | 134.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | T274 P320 N348 E349 | T274-A346 HydrophobicContact CG2-CB 3.88Å; P320-A346 HydrophobicContact CB-CB 4.09Å; P320-A346 HydrophobicContact CG-CB 4.34Å; A346-N348 WeakPolarHBondContact CB-OD1 3.49Å; A346-N348 PolarHBondContact O-N 2.87Å; A346-N348 VanDerWaalsContact O-N 3.14Å; A346-E349 PolarHBondContact O-N 2.81Å | ||
| 347 | L | 73.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -4.1 | -176.7 | -73.4 | 169 | 0 | 0 | 0 | 114.7 | W273 K375 | W273-L347 HydrophobicContact CD2-CD2 4.37Å; W273-L347 HydrophobicContact CD2-CG 4.21Å; W273-L347 HydrophobicContact CE3-CD1 4.5Å; W273-L347 HydrophobicContact CE3-CD2 3.93Å; W273-L347 HydrophobicContact CE3-CG 3.71Å; W273-L347 HydrophobicContact CH2-CD2 3.48Å; W273-L347 VanDerWaalsContact CH2-CD2 3.48Å; W273-L347 HydrophobicContact CH2-CG 4.22Å; W273-L347 HydrophobicContact CZ2-CD2 3.94Å; W273-L347 HydrophobicContact CZ3-CD2 3.46Å; W273-L347 VanDerWaalsContact CZ3-CD2 3.46Å; W273-L347 HydrophobicContact CZ3-CG 3.72Å; L347-K375 PolarHBondContact O-NZ 3.26Å |
| 348 | N | 70.2 | Confident | 84.7 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 21.7 | -179.4 | 67.3 | -40.7 | 0 | 0 | 0 | 112.7 | A346 | A346-N348 WeakPolarHBondContact CB-OD1 3.49Å; A346-N348 PolarHBondContact O-N 2.87Å; A346-N348 VanDerWaalsContact O-N 3.14Å |
| 349 | E | 69.4 | Low | 84.5 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | trans | -66.1 | 130.9 | 171.9 | -158.6 | -173 | 155 | 0 | 0 | 109.8 | A346 T351 I352 D353 | A346-E349 PolarHBondContact O-N 2.81Å; E349-T351 VanDerWaalsContact CG-OG1 3.27Å; E349-T351 WeakPolarHBondContact CG-OG1 3.18Å; E349-T351 PolarHBondContact O-N 3.45Å; E349-T351 VanDerWaalsContact O-N 3.15Å; E349-T351 PolarHBondContact OE1-OG1 3.14Å; E349-I352 HydrophobicContact CB-CB 4.39Å; E349-I352 HydrophobicContact CB-CD1 4Å; E349-I352 HydrophobicContact CB-CG1 4.15Å; E349-I352 WeakPolarHBondContact O-CB 3.35Å; E349-I352 PolarHBondContact O-N 3.4Å; E349-D353 PolarHBondContact O-N 3.41Å | ||
| 350 | P | 70.5 | Confident | 84 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 67% | 0.669 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.9 | -26.3 | -172.4 | 22.8 | -34.6 | 0 | 0 | 0 | 113.7 | Y354 | P350-Y354 VanDerWaalsContact O-CB 3.29Å; P350-Y354 WeakPolarHBondContact O-CB 3.35Å; P350-Y354 PolarHBondContact O-N 3.03Å |
| 351 | T | 73.4 | Confident | 83.6 | Confident | 87 Ų | 87 | 78.4 Ų | 78.4 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 170.9 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | E349 G355 | E349-T351 VanDerWaalsContact CG-OG1 3.27Å; E349-T351 WeakPolarHBondContact CG-OG1 3.18Å; E349-T351 PolarHBondContact O-N 3.45Å; E349-T351 VanDerWaalsContact O-N 3.15Å; E349-T351 PolarHBondContact OE1-OG1 3.14Å; T351-G355 PolarHBondContact O-N 3.15Å |
| 352 | I | 77.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 26% | 0.256 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 178.3 | -63.7 | 176.1 | 0 | 0 | 0 | 110 | E349 Y354 G355 F356 | E349-I352 HydrophobicContact CB-CB 4.39Å; E349-I352 HydrophobicContact CB-CD1 4Å; E349-I352 HydrophobicContact CB-CG1 4.15Å; E349-I352 WeakPolarHBondContact O-CB 3.35Å; E349-I352 PolarHBondContact O-N 3.4Å; I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.28Å; I352-G355 WeakPolarHBondContact O-CA 3.49Å; I352-G355 PolarHBondContact O-N 2.69Å; I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 WeakPolarHBondContact O-CD2 3.32Å; I352-F356 PolarHBondContact O-N 3.36Å |
| 353 | D | 79.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 24% | 0.235 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.2 | -35.3 | 179.1 | -86.8 | -42.2 | 0 | 0 | 0 | 113 | E349 F356 Q357 K375 | E349-D353 PolarHBondContact O-N 3.41Å; D353-F356 PolarHBondContact O-N 3.43Å; D353-Q357 VanDerWaalsContact O-CG 3.32Å; D353-Q357 WeakPolarHBondContact O-CG 3.41Å; D353-Q357 PolarHBondContact O-N 2.87Å; D353-K375 WeakPolarHBondContact OD1-CE 3.19Å; D353-K375 IonicContact OD1-NZ 3.37Å; D353-K375 PolarHBondContact OD1-NZ 3.13Å; D353-K375 IonicContact OD2-NZ 3.74Å |
| 354 | Y | 83.2 | Confident | 81.9 | Confident | 156 Ų | 156 | 76.3 Ų | 76.3 | 61% | 0.612 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.4 | -40.8 | 169.2 | 177.7 | -98 | 0 | 0 | 0 | 112.1 | P350 I352 F356 Q357 R358 | P350-Y354 VanDerWaalsContact O-CB 3.29Å; P350-Y354 WeakPolarHBondContact O-CB 3.35Å; P350-Y354 PolarHBondContact O-N 3.03Å; I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.28Å; Y354-F356 PolarHBondContact O-N 3.04Å; Y354-Q357 PolarHBondContact O-N 2.96Å; Y354-R358 PolarHBondContact O-N 2.96Å |
| 355 | G | 84.6 | Confident | 81.3 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T351 I352 R358 L359 | T351-G355 PolarHBondContact O-N 3.15Å; I352-G355 WeakPolarHBondContact O-CA 3.49Å; I352-G355 PolarHBondContact O-N 2.69Å; G355-R358 PolarHBondContact O-N 3.12Å; G355-L359 WeakPolarHBondContact O-CG 3.31Å; G355-L359 PolarHBondContact O-N 3.04Å |
| 356 | F | 86.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 85.5 Ų | 85.5 | 12% | 0.123 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.7 | -86.5 | -79.3 | 0 | 0 | 0 | 112.9 | I352 D353 Y354 R358 L359 Q360 K375 I378 L379 | I352-F356 HydrophobicContact CG2-CD2 3.78Å; I352-F356 HydrophobicContact CG2-CE2 3.71Å; I352-F356 WeakPolarHBondContact O-CD2 3.32Å; I352-F356 PolarHBondContact O-N 3.36Å; D353-F356 PolarHBondContact O-N 3.43Å; Y354-F356 PolarHBondContact O-N 3.04Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 2.93Å; F356-L359 PolarHBondContact O-N 3.47Å; F356-Q360 WeakPolarHBondContact O-CB 3.47Å; F356-Q360 PolarHBondContact O-N 3.15Å; F356-K375 HydrophobicContact CD1-CB 4.05Å; F356-K375 HydrophobicContact CD1-CD 4.27Å; F356-K375 HydrophobicContact CD1-CG 3.77Å; F356-K375 HydrophobicContact CD2-CD 3.98Å; F356-K375 HydrophobicContact CD2-CG 4.39Å; F356-K375 HydrophobicContact CE1-CB 3.51Å; F356-K375 HydrophobicContact CE1-CD 4.14Å; F356-K375 HydrophobicContact CE1-CG 3.71Å; F356-K375 WeakPolarHBondContact CE1-O 3.49Å; F356-K375 HydrophobicContact CE2-CD 3.83Å; F356-K375 HydrophobicContact CE2-CG 4.33Å; F356-K375 HydrophobicContact CG-CD 4.21Å; F356-K375 HydrophobicContact CG-CG 4.14Å; F356-K375 HydrophobicContact CZ-CB 3.82Å; F356-K375 HydrophobicContact CZ-CD 3.92Å; F356-K375 HydrophobicContact CZ-CG 4.01Å; F356-I378 HydrophobicContact CD1-CB 4.18Å; F356-I378 HydrophobicContact CD1-CD1 4.21Å; F356-I378 HydrophobicContact CD1-CG2 3.78Å; F356-I378 HydrophobicContact CE1-CB 4.27Å; F356-I378 HydrophobicContact CE1-CG2 4.1Å; F356-L379 HydrophobicContact CE1-CD1 4.4Å; F356-L379 HydrophobicContact CE1-CD2 4.24Å; F356-L379 HydrophobicContact CE1-CG 3.84Å; F356-L379 HydrophobicContact CZ-CD1 3.92Å; F356-L379 HydrophobicContact CZ-CD2 4.09Å; F356-L379 HydrophobicContact CZ-CG 3.8Å |
| 357 | Q | 84.8 | Confident | 80.6 | Confident | 113 Ų | 113 | 91.7 Ų | 91.7 | 53% | 0.528 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 174.7 | -71.1 | 172.6 | 33.2 | 0 | 0 | 112.6 | D353 Y354 K361 | D353-Q357 VanDerWaalsContact O-CG 3.32Å; D353-Q357 WeakPolarHBondContact O-CG 3.41Å; D353-Q357 PolarHBondContact O-N 2.87Å; Y354-Q357 PolarHBondContact O-N 2.96Å; Q357-K361 WeakPolarHBondContact O-CG 3.28Å |
| 358 | R | 87 | Confident | 80.8 | Confident | 174 Ų | 174 | 91.5 Ų | 91.5 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.3 | -45.8 | 175 | -174.8 | 178.4 | 175.2 | -166.1 | -2.1 | 111.2 | Y354 G355 F356 Q360 K361 | Y354-R358 PolarHBondContact O-N 2.96Å; G355-R358 PolarHBondContact O-N 3.12Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 2.93Å; R358-Q360 PolarHBondContact O-N 2.77Å; R358-K361 PolarHBondContact O-N 3.37Å |
| 359 | L | 86.2 | Confident | 81.4 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 32% | 0.319 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.3 | -73.9 | 171.8 | 0 | 0 | 0 | 111.9 | G355 F356 K361 V362 I363 I378 A382 | G355-L359 WeakPolarHBondContact O-CG 3.31Å; G355-L359 PolarHBondContact O-N 3.04Å; F356-L359 PolarHBondContact O-N 3.47Å; L359-K361 PolarHBondContact O-N 2.96Å; L359-V362 PolarHBondContact O-N 3.12Å; L359-I363 HydrophobicContact CB-CD1 3.92Å; L359-I363 WeakPolarHBondContact O-CD1 3.15Å; L359-I363 WeakPolarHBondContact O-CG1 3.26Å; L359-I363 PolarHBondContact O-N 3.47Å; L359-I378 HydrophobicContact CB-CG2 3.75Å; L359-I378 HydrophobicContact CD1-CG2 4.32Å; L359-A382 HydrophobicContact CD2-CB 4.38Å |
| 360 | Q | 84.9 | Confident | 82 | Confident | 48 Ų | 48 | 90.2 Ų | 90.2 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.2 | -17.1 | 178.9 | -163.2 | -174.4 | -10.4 | 0 | 0 | 113.8 | F356 R358 E371 I378 | F356-Q360 WeakPolarHBondContact O-CB 3.47Å; F356-Q360 PolarHBondContact O-N 3.15Å; R358-Q360 PolarHBondContact O-N 2.77Å; Q360-E371 PolarHBondContact NE2-O 3.32Å; Q360-I378 HydrophobicContact CB-CD1 4.2Å; Q360-I378 HydrophobicContact CG-CD1 4.2Å |
| 361 | K | 84.5 | Confident | 82.2 | Confident | 182 Ų | 182 | 93.7 Ų | 93.7 | 79% | 0.791 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -89.3 | -18 | 173.8 | -67.5 | 175.6 | -177.4 | -177.7 | 0 | 114 | Q357 R358 L359 | Q357-K361 WeakPolarHBondContact O-CG 3.28Å; R358-K361 PolarHBondContact O-N 3.37Å; L359-K361 PolarHBondContact O-N 2.96Å |
| 362 | V | 84.8 | Confident | 82.6 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -104.8 | -30.6 | -174.9 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | L359 | L359-V362 PolarHBondContact O-N 3.12Å |
| 363 | I | 87.2 | Confident | 82.8 | Confident | 13 Ų | 13 | 97 Ų | 97 | 7% | 0.067 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -72.6 | 132.1 | -178.5 | -71.7 | 157 | 0 | 0 | 0 | 111.4 | L359 R365 I378 R381 A382 | L359-I363 HydrophobicContact CB-CD1 3.92Å; L359-I363 WeakPolarHBondContact O-CD1 3.15Å; L359-I363 WeakPolarHBondContact O-CG1 3.26Å; L359-I363 PolarHBondContact O-N 3.47Å; I363-R365 PolarHBondContact O-N 3.11Å; I363-I378 HydrophobicContact CD1-CB 4.3Å; I363-I378 HydrophobicContact CD1-CG2 3.55Å; I363-I378 WeakPolarHBondContact CD1-O 3.4Å; I363-R381 HydrophobicContact CG2-CB 3.53Å; I363-R381 HydrophobicContact CG2-CG 4.36Å; I363-A382 HydrophobicContact CD1-CB 4.13Å; I363-A382 HydrophobicContact CG1-CB 4.49Å |
| 364 | P | 81.9 | Confident | 83.2 | Confident | 70 Ų | 70 | 98 Ų | 98 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 131.8 | 172.5 | -27.1 | 35.8 | 0 | 0 | 0 | 113.6 | R381 L385 | P364-R381 PolarHBondContact O-NH1 3.46Å; P364-L385 HydrophobicContact CG-CD1 4.14Å |
| 365 | R | 81.2 | Confident | 83.3 | Confident | 124 Ų | 124 | 93.9 Ų | 93.9 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 144.6 | 167.9 | -72.3 | -178.1 | 178.7 | -104.5 | 7.6 | 110.7 | I363 D369 Q370 E371 | I363-R365 PolarHBondContact O-N 3.11Å; R365-D369 WeakPolarHBondContact CA-OD2 3.27Å; R365-D369 WeakPolarHBondContact CB-OD2 3.36Å; R365-Q370 PolarHBondContact NH1-O 3.33Å; R365-E371 PolarHBondContact NH1-O 3.47Å; R365-E371 PolarHBondContact NH2-O 3.37Å |
| 366 | H | 81.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | trans | -107.9 | 152.3 | 177 | -65.2 | 69.3 | 0 | 0 | 0 | 109.8 | G368 D369 R381 | H366-G368 PolarHBondContact O-N 3.21Å; H366-D369 PolarHBondContact N-OD2 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.21Å; H366-D369 VanDerWaalsContact O-CG 3.29Å; H366-D369 PolarHBondContact O-N 3.13Å; H366-D369 VanDerWaalsContact O-N 3.09Å; H366-R381 VanDerWaalsContact ND1-CZ 3.33Å; H366-R381 PolarHBondContact ND1-NH1 3.1Å | ||
| 367 | P | 79.7 | Confident | 83.5 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 88% | 0.883 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 129.4 | 173.1 | -24.7 | 34.9 | 0 | 0 | 0 | 111.3 | ||
| 368 | G | 78.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 96 Ų | 96 | 88% | 0.876 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -2.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H366 | H366-G368 PolarHBondContact O-N 3.21Š|
| 369 | D | 83.1 | Confident | 83.8 | Confident | 41 Ų | 41 | 92.4 Ų | 92.4 | 22% | 0.219 | 48% | 0.477 | C | S | . | . | trans | -61.2 | 137.4 | 173.2 | -84.5 | -14.4 | 0 | 0 | 0 | 113 | R365 H366 L373 R381 | R365-D369 WeakPolarHBondContact CA-OD2 3.27Å; R365-D369 WeakPolarHBondContact CB-OD2 3.36Å; H366-D369 PolarHBondContact N-OD2 3.12Å; H366-D369 WeakPolarHBondContact O-CB 3.21Å; H366-D369 VanDerWaalsContact O-CG 3.29Å; H366-D369 PolarHBondContact O-N 3.13Å; H366-D369 VanDerWaalsContact O-N 3.09Å; D369-L373 HydrophobicContact CB-CD2 3.99Å; D369-R381 IonicContact OD1-CZ 3.14Å; D369-R381 IonicContact OD1-NH1 3.47Å; D369-R381 PolarHBondContact OD1-NH1 3.49Å; D369-R381 IonicContact OD1-NH2 3.36Å; D369-R381 PolarHBondContact OD1-NH2 3.03Å; D369-R381 IonicContact OD2-CZ 2.72Å; D369-R381 IonicContact OD2-NH1 3.25Å; D369-R381 PolarHBondContact OD2-NH1 3.24Å; D369-R381 IonicContact OD2-NH2 2.72Å | ||
| 370 | Q | 80.7 | Confident | 83.9 | Confident | 138 Ų | 138 | 96.1 Ų | 96.1 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | trans | -64.9 | 151.4 | 168.4 | -68.4 | -176.7 | -17.2 | 0 | 0 | 111.7 | R365 R372 | R365-Q370 PolarHBondContact NH1-O 3.33Å; Q370-R372 PolarHBondContact O-N 2.85Å | ||
| 371 | E | 74.3 | Confident | 84.1 | Confident | 176 Ų | 176 | 95.7 Ų | 95.7 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -54.9 | -39.4 | 179 | -170.7 | -179.4 | -172.6 | 0 | 0 | 111.9 | Q360 R365 | Q360-E371 PolarHBondContact NE2-O 3.32Å; R365-E371 PolarHBondContact NH1-O 3.47Å; R365-E371 PolarHBondContact NH2-O 3.37Å |
| 372 | R | 81.6 | Confident | 84.3 | Confident | 194 Ų | 194 | 88 Ų | 88 | 73% | 0.732 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -111.5 | 114.9 | 170.5 | -170.3 | 175.4 | -173.8 | 169.7 | 1.3 | 110.2 | Q370 | Q370-R372 PolarHBondContact O-N 2.85Š|
| 373 | L | 82.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 85 Ų | 85 | 7% | 0.073 | 44% | 0.444 | C | S | . | . | trans | -76.7 | 143.7 | 176.6 | -68.4 | 172.4 | 0 | 0 | 0 | 111.1 | D369 V377 I378 | D369-L373 HydrophobicContact CB-CD2 3.99Å; L373-V377 HydrophobicContact CD2-CG1 4.36Å; L373-I378 HydrophobicContact CB-CD1 4.06Å; L373-I378 HydrophobicContact CB-CG1 3.73Å; L373-I378 HydrophobicContact CD1-CG1 4.49Å; L373-I378 WeakPolarHBondContact O-CD1 3.3Å | ||
| 374 | P | 87.1 | Confident | 84.6 | Confident | 64 Ų | 64 | 87.9 Ų | 87.9 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | trans | -61.4 | 147.8 | 170.5 | -22.9 | 33.6 | 0 | 0 | 0 | 112.4 | E376 V377 I378 | P374-E376 PolarHBondContact O-N 2.91Å; P374-V377 HydrophobicContact CB-CG2 4.17Å; P374-V377 HydrophobicContact CG-CG2 4.13Å; P374-V377 PolarHBondContact O-N 2.78Å; P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.21Å | ||
| 375 | K | 85.8 | Confident | 84.8 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 30% | 0.304 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.4 | -39.3 | 179.8 | -72.1 | -167.2 | 176.7 | -168.4 | 0 | 112.6 | L347 D353 F356 I378 L379 | L347-K375 PolarHBondContact O-NZ 3.26Å; D353-K375 WeakPolarHBondContact OD1-CE 3.19Å; D353-K375 IonicContact OD1-NZ 3.37Å; D353-K375 PolarHBondContact OD1-NZ 3.13Å; D353-K375 IonicContact OD2-NZ 3.74Å; F356-K375 HydrophobicContact CD1-CB 4.05Å; F356-K375 HydrophobicContact CD1-CD 4.27Å; F356-K375 HydrophobicContact CD1-CG 3.77Å; F356-K375 HydrophobicContact CD2-CD 3.98Å; F356-K375 HydrophobicContact CD2-CG 4.39Å; F356-K375 HydrophobicContact CE1-CB 3.51Å; F356-K375 HydrophobicContact CE1-CD 4.14Å; F356-K375 HydrophobicContact CE1-CG 3.71Å; F356-K375 WeakPolarHBondContact CE1-O 3.49Å; F356-K375 HydrophobicContact CE2-CD 3.83Å; F356-K375 HydrophobicContact CE2-CG 4.33Å; F356-K375 HydrophobicContact CG-CD 4.21Å; F356-K375 HydrophobicContact CG-CG 4.14Å; F356-K375 HydrophobicContact CZ-CB 3.82Å; F356-K375 HydrophobicContact CZ-CD 3.92Å; F356-K375 HydrophobicContact CZ-CG 4.01Å; K375-I378 PolarHBondContact O-N 2.76Å; K375-L379 PolarHBondContact O-N 2.96Å |
| 376 | E | 86.4 | Confident | 85.1 | Confident | 163 Ų | 163 | 85.1 Ų | 85.1 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 177 | -67.2 | 161.5 | -151.2 | 0 | 0 | 112.7 | P374 I378 L379 K380 | P374-E376 PolarHBondContact O-N 2.91Å; E376-I378 VanDerWaalsContact C-N 3.35Å; E376-L379 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact O-CB 3.43Å; E376-K380 PolarHBondContact O-N 3Å |
| 377 | V | 87.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 30% | 0.297 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 178 | -179.6 | 0 | 0 | 0 | 0 | 111 | L373 P374 R381 | L373-V377 HydrophobicContact CD2-CG1 4.36Å; P374-V377 HydrophobicContact CB-CG2 4.17Å; P374-V377 HydrophobicContact CG-CG2 4.13Å; P374-V377 PolarHBondContact O-N 2.78Å; V377-R381 WeakPolarHBondContact O-CG 3.46Å; V377-R381 PolarHBondContact O-N 2.82Å; V377-R381 VanDerWaalsContact O-N 3.07Å |
| 378 | I | 88.2 | Confident | 85.5 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 173.8 | -67.6 | 170.3 | 0 | 0 | 0 | 110.3 | F356 L359 Q360 I363 L373 P374 K375 E376 A382 | F356-I378 HydrophobicContact CD1-CB 4.18Å; F356-I378 HydrophobicContact CD1-CD1 4.21Å; F356-I378 HydrophobicContact CD1-CG2 3.78Å; F356-I378 HydrophobicContact CE1-CB 4.27Å; F356-I378 HydrophobicContact CE1-CG2 4.1Å; L359-I378 HydrophobicContact CB-CG2 3.75Å; L359-I378 HydrophobicContact CD1-CG2 4.32Å; Q360-I378 HydrophobicContact CB-CD1 4.2Å; Q360-I378 HydrophobicContact CG-CD1 4.2Å; I363-I378 HydrophobicContact CD1-CB 4.3Å; I363-I378 HydrophobicContact CD1-CG2 3.55Å; I363-I378 WeakPolarHBondContact CD1-O 3.4Å; L373-I378 HydrophobicContact CB-CD1 4.06Å; L373-I378 HydrophobicContact CB-CG1 3.73Å; L373-I378 HydrophobicContact CD1-CG1 4.49Å; L373-I378 WeakPolarHBondContact O-CD1 3.3Å; P374-I378 WeakPolarHBondContact O-CG1 3.45Å; P374-I378 PolarHBondContact O-N 3.21Å; K375-I378 PolarHBondContact O-N 2.76Å; E376-I378 VanDerWaalsContact C-N 3.35Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 2.98Å |
| 379 | L | 89.9 | Confident | 85.6 | Confident | 97 Ų | 97 | 84 Ų | 84 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.2 | -75.5 | 178.7 | 0 | 0 | 0 | 112.4 | F356 K375 E376 R381 A382 A383 | F356-L379 HydrophobicContact CE1-CD1 4.4Å; F356-L379 HydrophobicContact CE1-CD2 4.24Å; F356-L379 HydrophobicContact CE1-CG 3.84Å; F356-L379 HydrophobicContact CZ-CD1 3.92Å; F356-L379 HydrophobicContact CZ-CD2 4.09Å; F356-L379 HydrophobicContact CZ-CG 3.8Å; K375-L379 PolarHBondContact O-N 2.96Å; E376-L379 PolarHBondContact O-N 2.88Å; L379-R381 PolarHBondContact O-N 2.87Å; L379-A382 WeakPolarHBondContact O-CB 3.37Å; L379-A382 PolarHBondContact O-N 2.99Å; L379-A383 PolarHBondContact O-N 3.04Å |
| 380 | K | 89.3 | Confident | 85.3 | Confident | 139 Ų | 139 | 90.5 Ų | 90.5 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -57.4 | -52.7 | 178.5 | -179 | 175.8 | 175.2 | 177.9 | 0 | 111.1 | E376 A382 A383 D384 | E376-K380 WeakPolarHBondContact O-CB 3.43Å; E376-K380 PolarHBondContact O-N 3Å; K380-A382 VanDerWaalsContact C-N 3.26Å; K380-A382 PolarHBondContact O-N 3.5Å; K380-A383 CarbonylContact O-C 3.6Å; K380-A383 WeakPolarHBondContact O-CA 3.26Å; K380-A383 WeakPolarHBondContact O-CB 3.46Å; K380-A383 PolarHBondContact O-N 3.09Å; K380-D384 PolarHBondContact O-N 2.84Å |
| 381 | R | 88.9 | Confident | 84.8 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 15% | 0.151 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.4 | -25.2 | -179.5 | -67.9 | -176.8 | -173.1 | 172.1 | 8.2 | 113.9 | I363 P364 H366 D369 V377 L379 D384 L385 | I363-R381 HydrophobicContact CG2-CB 3.53Å; I363-R381 HydrophobicContact CG2-CG 4.36Å; P364-R381 PolarHBondContact O-NH1 3.46Å; H366-R381 VanDerWaalsContact ND1-CZ 3.33Å; H366-R381 PolarHBondContact ND1-NH1 3.1Å; D369-R381 IonicContact OD1-CZ 3.14Å; D369-R381 IonicContact OD1-NH1 3.47Å; D369-R381 PolarHBondContact OD1-NH1 3.49Å; D369-R381 IonicContact OD1-NH2 3.36Å; D369-R381 PolarHBondContact OD1-NH2 3.03Å; D369-R381 IonicContact OD2-CZ 2.72Å; D369-R381 IonicContact OD2-NH1 3.25Å; D369-R381 PolarHBondContact OD2-NH1 3.24Å; D369-R381 IonicContact OD2-NH2 2.72Å; V377-R381 WeakPolarHBondContact O-CG 3.46Å; V377-R381 PolarHBondContact O-N 2.82Å; V377-R381 VanDerWaalsContact O-N 3.07Å; L379-R381 PolarHBondContact O-N 2.87Å; R381-D384 WeakPolarHBondContact CA-OD2 3.3Å; R381-L385 VanDerWaalsContact O-CB 3.26Å; R381-L385 WeakPolarHBondContact O-CB 3.38Å; R381-L385 PolarHBondContact O-N 3.02Å; R381-L385 VanDerWaalsContact O-N 3.09Å |
| 382 | A | 89.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L359 I363 I378 L379 K380 V386 | L359-A382 HydrophobicContact CD2-CB 4.38Å; I363-A382 HydrophobicContact CD1-CB 4.13Å; I363-A382 HydrophobicContact CG1-CB 4.49Å; I378-A382 WeakPolarHBondContact O-CB 3.46Å; I378-A382 PolarHBondContact O-N 2.98Å; L379-A382 WeakPolarHBondContact O-CB 3.37Å; L379-A382 PolarHBondContact O-N 2.99Å; K380-A382 VanDerWaalsContact C-N 3.26Å; K380-A382 PolarHBondContact O-N 3.5Å; A382-V386 VanDerWaalsContact O-CG2 3.3Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.14Å; A382-V386 VanDerWaalsContact O-N 3.1Å |
| 383 | A | 88.7 | Confident | 83.2 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.7 | -51 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L379 K380 L385 V386 E387 | L379-A383 PolarHBondContact O-N 3.04Å; K380-A383 CarbonylContact O-C 3.6Å; K380-A383 WeakPolarHBondContact O-CA 3.26Å; K380-A383 WeakPolarHBondContact O-CB 3.46Å; K380-A383 PolarHBondContact O-N 3.09Å; A383-L385 PolarHBondContact O-N 3.05Å; A383-L385 VanDerWaalsContact O-N 3.14Å; A383-V386 PolarHBondContact O-N 2.99Å; A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.15Å |
| 384 | D | 88.3 | Confident | 82.1 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -51.2 | -41.1 | 177.6 | -55.9 | -32.4 | 0 | 0 | 0 | 111.3 | K380 R381 A388 | K380-D384 PolarHBondContact O-N 2.84Å; R381-D384 WeakPolarHBondContact CA-OD2 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.48Å; D384-A388 PolarHBondContact O-N 2.97Å |
| 385 | L | 86.1 | Confident | 80.5 | Confident | 64 Ų | 64 | 91.2 Ų | 91.2 | 34% | 0.335 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 178.5 | -176.4 | 148.9 | 0 | 0 | 0 | 113.1 | P364 R381 A383 A388 L389 | P364-L385 HydrophobicContact CG-CD1 4.14Å; R381-L385 VanDerWaalsContact O-CB 3.26Å; R381-L385 WeakPolarHBondContact O-CB 3.38Å; R381-L385 PolarHBondContact O-N 3.02Å; R381-L385 VanDerWaalsContact O-N 3.09Å; A383-L385 PolarHBondContact O-N 3.05Å; A383-L385 VanDerWaalsContact O-N 3.14Å; L385-A388 PolarHBondContact O-N 3.38Å; L385-L389 HydrophobicContact CD2-CD1 3.81Å; L385-L389 HydrophobicContact CD2-CG 4.48Å; L385-L389 WeakPolarHBondContact O-CG 3.07Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å |
| 386 | V | 87.5 | Confident | 79.2 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | A382 A383 A388 L389 Y390 | A382-V386 VanDerWaalsContact O-CG2 3.3Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.14Å; A382-V386 VanDerWaalsContact O-N 3.1Å; A383-V386 PolarHBondContact O-N 2.99Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.06Å; V386-L389 WeakPolarHBondContact O-CB 3.38Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-L389 VanDerWaalsContact O-N 3.13Å; V386-Y390 HydrophobicContact CG1-CD2 3.82Å; V386-Y390 HydrophobicContact CG1-CE2 3.78Å; V386-Y390 VanDerWaalsContact O-CD2 3.31Å; V386-Y390 WeakPolarHBondContact O-CD2 3.39Å; V386-Y390 PolarHBondContact O-N 3.34Å; V386-Y390 VanDerWaalsContact O-N 3.11Å |
| 387 | E | 86.8 | Confident | 77.8 | Confident | 137 Ų | 137 | 88.1 Ų | 88.1 | 64% | 0.64 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.3 | -43.2 | 173.6 | -70.7 | 178.4 | -167.9 | 0 | 0 | 111.2 | A383 L389 Y390 G391 | A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.15Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.14Å; E387-Y390 PolarHBondContact O-N 3.48Å; E387-G391 PolarHBondContact O-N 2.92Å |
| 388 | A | 83.1 | Confident | 76.4 | Confident | 54 Ų | 54 | 93.8 Ų | 93.8 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -29.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D384 L385 V386 M392 | D384-A388 WeakPolarHBondContact O-CB 3.48Å; D384-A388 PolarHBondContact O-N 2.97Å; L385-A388 PolarHBondContact O-N 3.38Å; V386-A388 VanDerWaalsContact C-N 3.33Å; V386-A388 PolarHBondContact O-N 3.06Å; A388-M392 WeakPolarHBondContact O-CG 3.41Å |
| 389 | L | 81.2 | Confident | 75 | Confident | 113 Ų | 113 | 100 Ų | 100 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.9 | -34.4 | 174.6 | -74 | 169.7 | 0 | 0 | 0 | 112.8 | L385 V386 E387 | L385-L389 HydrophobicContact CD2-CD1 3.81Å; L385-L389 HydrophobicContact CD2-CG 4.48Å; L385-L389 WeakPolarHBondContact O-CG 3.07Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å; V386-L389 WeakPolarHBondContact O-CB 3.38Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-L389 VanDerWaalsContact O-N 3.13Å; E387-L389 VanDerWaalsContact C-N 3.28Å; E387-L389 PolarHBondContact O-N 3.14Å |
| 390 | Y | 76.9 | Confident | 73.7 | Confident | 177 Ų | 177 | 100.5 Ų | 100.5 | 69% | 0.694 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.7 | -17.4 | 176.9 | -75.5 | -71.5 | 0 | 0 | 0 | 113.8 | V386 E387 M392 | V386-Y390 HydrophobicContact CG1-CD2 3.82Å; V386-Y390 HydrophobicContact CG1-CE2 3.78Å; V386-Y390 VanDerWaalsContact O-CD2 3.31Å; V386-Y390 WeakPolarHBondContact O-CD2 3.39Å; V386-Y390 PolarHBondContact O-N 3.34Å; V386-Y390 VanDerWaalsContact O-N 3.11Å; E387-Y390 PolarHBondContact O-N 3.48Å; Y390-M392 VanDerWaalsContact C-N 3.34Å; Y390-M392 PolarHBondContact O-N 3.37Å |
| 391 | G | 70.6 | Confident | 72.7 | Confident | 63 Ų | 63 | 99.4 Ų | 99.4 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | E387 | E387-G391 PolarHBondContact O-N 2.92Š|
| 392 | M | 66.6 | Low | 71.4 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -98.5 | 145.2 | -174.7 | -68.3 | -69.1 | 156 | 0 | 0 | 113 | A388 Y390 | A388-M392 WeakPolarHBondContact O-CG 3.41Å; Y390-M392 VanDerWaalsContact C-N 3.34Å; Y390-M392 PolarHBondContact O-N 3.37Å |
| 393 | P | 56.1 | Low | 70.3 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | trans | -66 | 143.1 | -178.6 | 26.2 | -33.9 | 0 | 0 | 0 | 112.8 | N395 | P393-N395 VanDerWaalsContact C-N 3.33Å; P393-N395 PolarHBondContact O-N 3.23Å | ||
| 394 | H | 58.6 | Low | 69.2 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -60.7 | -17.1 | -155.1 | -77.5 | -5 | 0 | 0 | 0 | 118.8 | N396 Q397 | H394-N396 PolarHBondContact O-N 2.92Å; H394-Q397 PolarHBondContact ND1-OE1 2.93Å; H394-Q397 WeakPolarHBondContact O-CB 3.39Å; H394-Q397 PolarHBondContact O-N 3.05Å |
| 395 | N | 55.6 | Low | 68.3 | Low | 159 Ų | 159 | 111.9 Ų | 111.9 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -64 | -18.9 | -167.3 | -75.7 | 13.3 | 0 | 0 | 0 | 115.9 | P393 | P393-N395 VanDerWaalsContact C-N 3.33Å; P393-N395 PolarHBondContact O-N 3.23Å |
| 396 | N | 56.4 | Low | 67.3 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 62% | 0.615 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -96.3 | -11.8 | 175 | -82.2 | -12.6 | 0 | 0 | 0 | 113.9 | H394 M399 I400 | H394-N396 PolarHBondContact O-N 2.92Å; N396-M399 PolarHBondContact O-N 2.77Å; N396-I400 HydrophobicContact CB-CD1 4.34Å; N396-I400 WeakPolarHBondContact O-CG1 3.34Å; N396-I400 PolarHBondContact O-N 2.95Å; N396-I400 VanDerWaalsContact O-N 3.15Å |
| 397 | Q | 58.2 | Low | 66.5 | Low | 53 Ų | 53 | 114.2 Ų | 114.2 | 25% | 0.248 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -74.6 | -41.4 | -165.1 | -155.3 | 164 | 12.6 | 0 | 0 | 111.9 | H394 I400 L401 | H394-Q397 PolarHBondContact ND1-OE1 2.93Å; H394-Q397 WeakPolarHBondContact O-CB 3.39Å; H394-Q397 PolarHBondContact O-N 3.05Å; Q397-I400 PolarHBondContact O-N 3.06Å; Q397-L401 HydrophobicContact CG-CD1 4.27Å; Q397-L401 WeakPolarHBondContact O-CB 3.42Å; Q397-L401 WeakPolarHBondContact O-CD1 3.42Å; Q397-L401 PolarHBondContact O-N 2.99Å |
| 398 | E | 58.5 | Low | 65.6 | Low | 167 Ų | 167 | 109.9 Ų | 109.9 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62 | -43.7 | 173.9 | -64.5 | -168.2 | 140.7 | 0 | 0 | 112.4 | I400 L401 K402 | E398-I400 VanDerWaalsContact C-N 3.3Å; E398-I400 PolarHBondContact O-N 3.27Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-K402 WeakPolarHBondContact O-CB 3.42Å; E398-K402 PolarHBondContact O-N 3.34Å |
| 399 | M | 58 | Low | 64.7 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.5 | -38.5 | 177.2 | -88.9 | -97.3 | -80.8 | 0 | 0 | 112.2 | N396 R403 | N396-M399 PolarHBondContact O-N 2.77Å; M399-R403 WeakPolarHBondContact O-CB 3.19Å; M399-R403 PolarHBondContact O-N 2.89Å; M399-R403 VanDerWaalsContact O-N 3.12Å |
| 400 | I | 63.9 | Low | 63.6 | Low | 107 Ų | 107 | 111 Ų | 111 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.5 | -44.4 | 179.6 | -67 | 168.6 | 0 | 0 | 0 | 111.1 | N396 Q397 E398 R403 A404 | N396-I400 HydrophobicContact CB-CD1 4.34Å; N396-I400 WeakPolarHBondContact O-CG1 3.34Å; N396-I400 PolarHBondContact O-N 2.95Å; N396-I400 VanDerWaalsContact O-N 3.15Å; Q397-I400 PolarHBondContact O-N 3.06Å; E398-I400 VanDerWaalsContact C-N 3.3Å; E398-I400 PolarHBondContact O-N 3.27Å; I400-R403 PolarHBondContact O-N 3.42Å; I400-A404 VanDerWaalsContact O-CB 3.32Å; I400-A404 WeakPolarHBondContact O-CB 3.41Å; I400-A404 PolarHBondContact O-N 2.94Å |
| 401 | L | 66.9 | Low | 62.7 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 60% | 0.602 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.1 | -44.4 | 176.4 | -97.7 | 65.5 | 0 | 0 | 0 | 111.7 | Q397 E398 A404 A405 | Q397-L401 HydrophobicContact CG-CD1 4.27Å; Q397-L401 WeakPolarHBondContact O-CB 3.42Å; Q397-L401 WeakPolarHBondContact O-CD1 3.42Å; Q397-L401 PolarHBondContact O-N 2.99Å; E398-L401 PolarHBondContact O-N 3.41Å; L401-A404 PolarHBondContact O-N 3.2Å; L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 3.47Å |
| 402 | K | 62.6 | Low | 61.9 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 62% | 0.622 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -49.9 | 177.1 | -173.1 | 168.7 | -176.7 | 172.8 | 0 | 111 | E398 A404 A405 D406 | E398-K402 WeakPolarHBondContact O-CB 3.42Å; E398-K402 PolarHBondContact O-N 3.34Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.05Å; K402-A405 CarbonylContact O-C 3.41Å; K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 3.3Å; K402-D406 PolarHBondContact O-N 3.21Å |
| 403 | R | 66.1 | Low | 61.1 | Low | 179 Ų | 179 | 114.3 Ų | 114.3 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -30.9 | 177.9 | -160.2 | 177.3 | -153.3 | 161.4 | 6 | 113.1 | M399 I400 I407 | M399-R403 WeakPolarHBondContact O-CB 3.19Å; M399-R403 PolarHBondContact O-N 2.89Å; M399-R403 VanDerWaalsContact O-N 3.12Å; I400-R403 PolarHBondContact O-N 3.42Å; R403-I407 HydrophobicContact CG-CD1 4.33Å; R403-I407 WeakPolarHBondContact O-CB 3.47Å; R403-I407 WeakPolarHBondContact O-CD1 3.43Å; R403-I407 WeakPolarHBondContact O-CG1 3.38Å; R403-I407 PolarHBondContact O-N 3.07Å; R403-I407 VanDerWaalsContact O-N 3.12Å |
| 404 | A | 66.2 | Low | 60.8 | Low | 57 Ų | 57 | 114.1 Ų | 114.1 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.9 | -37.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I400 L401 K402 A408 | I400-A404 VanDerWaalsContact O-CB 3.32Å; I400-A404 WeakPolarHBondContact O-CB 3.41Å; I400-A404 PolarHBondContact O-N 2.94Å; L401-A404 PolarHBondContact O-N 3.2Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.05Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.41Å |
| 405 | A | 68.2 | Low | 60.1 | Low | 59 Ų | 59 | 112.4 Ų | 112.4 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | L401 K402 I407 A408 E409 | L401-A405 WeakPolarHBondContact O-CB 3.32Å; L401-A405 PolarHBondContact O-N 3.47Å; K402-A405 CarbonylContact O-C 3.41Å; K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 3.3Å; A405-I407 VanDerWaalsContact C-N 3.3Å; A405-I407 PolarHBondContact O-N 3.34Å; A405-A408 WeakPolarHBondContact O-CB 3.17Å; A405-A408 PolarHBondContact O-N 3.04Å; A405-E409 PolarHBondContact O-N 3.05Å |
| 406 | D | 64.4 | Low | 59.3 | Low | 84 Ų | 84 | 111 Ų | 111 | 45% | 0.449 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.3 | -42.2 | 176.8 | -58.8 | -25.7 | 0 | 0 | 0 | 111 | K402 A410 | K402-D406 PolarHBondContact O-N 3.21Å; D406-A410 VanDerWaalsContact O-CB 3.28Å; D406-A410 WeakPolarHBondContact O-CB 3.45Å; D406-A410 PolarHBondContact O-N 2.96Å |
| 407 | I | 71.4 | Confident | 58.3 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.2 | -38 | 175.7 | -72.3 | 167.6 | 0 | 0 | 0 | 111.6 | R403 A405 L411 | R403-I407 HydrophobicContact CG-CD1 4.33Å; R403-I407 WeakPolarHBondContact O-CB 3.47Å; R403-I407 WeakPolarHBondContact O-CD1 3.43Å; R403-I407 WeakPolarHBondContact O-CG1 3.38Å; R403-I407 PolarHBondContact O-N 3.07Å; R403-I407 VanDerWaalsContact O-N 3.12Å; A405-I407 VanDerWaalsContact C-N 3.3Å; A405-I407 PolarHBondContact O-N 3.34Å; I407-L411 HydrophobicContact CG2-CD1 4.09Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.67Å; I407-L411 VanDerWaalsContact O-N 3.13Å |
| 408 | A | 67.8 | Low | 57 | Low | 47 Ų | 47 | 118 Ų | 118 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.8 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A404 A405 L411 Y412 | A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.41Å; A405-A408 WeakPolarHBondContact O-CB 3.17Å; A405-A408 PolarHBondContact O-N 3.04Å; A408-L411 PolarHBondContact O-N 2.91Å; A408-Y412 WeakPolarHBondContact O-CD2 3.46Å; A408-Y412 PolarHBondContact O-N 2.7Å; A408-Y412 VanDerWaalsContact O-N 3.14Å |
| 409 | E | 63.9 | Low | 55.8 | Low | 138 Ų | 138 | 118.1 Ų | 118.1 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.4 | -38.2 | 178.9 | -168 | 172.3 | -121.8 | 0 | 0 | 112 | A405 L411 Y412 T413 | A405-E409 PolarHBondContact O-N 3.05Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.43Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 VanDerWaalsContact O-N 3.15Å; E409-T413 HydrophobicContact CG-CG2 4.4Å; E409-T413 WeakPolarHBondContact O-CG2 3.17Å; E409-T413 PolarHBondContact O-N 3.37Å; E409-T413 PolarHBondContact O-OG1 2.73Å |
| 410 | A | 58.3 | Low | 54.5 | Low | 51 Ų | 51 | 117.8 Ų | 117.8 | 42% | 0.421 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -58.7 | -41.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D406 Y412 T413 T414 | D406-A410 VanDerWaalsContact O-CB 3.28Å; D406-A410 WeakPolarHBondContact O-CB 3.45Å; D406-A410 PolarHBondContact O-N 2.96Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.7Å; A410-T413 WeakPolarHBondContact CA-OG1 3.33Å; A410-T413 PolarHBondContact O-N 3.26Å; A410-T413 PolarHBondContact O-OG1 3.21Å; A410-T414 PolarHBondContact O-N 2.87Å |
| 411 | L | 58.9 | Low | 53.1 | Low | 130 Ų | 130 | 121.5 Ų | 121.5 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.5 | -22.1 | 177 | -71.8 | 169.1 | 0 | 0 | 0 | 113.7 | I407 A408 E409 | I407-L411 HydrophobicContact CG2-CD1 4.09Å; I407-L411 VanDerWaalsContact O-CG 3.28Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.67Å; I407-L411 VanDerWaalsContact O-N 3.13Å; A408-L411 PolarHBondContact O-N 2.91Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.43Å |
| 412 | Y | 53.3 | Low | 51.4 | Low | 205 Ų | 205 | 124 Ų | 124 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87.7 | -19.4 | 174.6 | -93.2 | -79.1 | 0 | 0 | 0 | 114 | A408 E409 A410 | A408-Y412 WeakPolarHBondContact O-CD2 3.46Å; A408-Y412 PolarHBondContact O-N 2.7Å; A408-Y412 VanDerWaalsContact O-N 3.14Å; E409-Y412 PolarHBondContact O-N 3.17Å; E409-Y412 VanDerWaalsContact O-N 3.15Å; A410-Y412 VanDerWaalsContact C-N 3.31Å; A410-Y412 PolarHBondContact O-N 2.7Å |
| 413 | T | 50.8 | Low | 49.9 | Very low | 99 Ų | 99 | 121.3 Ų | 121.3 | 61% | 0.607 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -97 | -18.7 | -174.9 | 46 | 0 | 0 | 0 | 0 | 114.4 | E409 A410 V415 | E409-T413 HydrophobicContact CG-CG2 4.4Å; E409-T413 WeakPolarHBondContact O-CG2 3.17Å; E409-T413 PolarHBondContact O-N 3.37Å; E409-T413 PolarHBondContact O-OG1 2.73Å; A410-T413 WeakPolarHBondContact CA-OG1 3.33Å; A410-T413 PolarHBondContact O-N 3.26Å; A410-T413 PolarHBondContact O-OG1 3.21Å; T413-V415 VanDerWaalsContact C-N 3.26Å; T413-V415 PolarHBondContact O-N 3.35Å |
| 414 | T | 49.1 | Very low | 48.1 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | trans | -79.3 | 62.2 | 178.2 | 56.1 | 0 | 0 | 0 | 0 | 114 | A410 | A410-T414 PolarHBondContact O-N 2.87Š| ||
| 415 | V | 43 | Very low | 46.4 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 65% | 0.648 | 69% | 0.688 | S | S | * | * | trans | -131.2 | 115.5 | 165 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | T413 R417 | T413-V415 VanDerWaalsContact C-N 3.26Å; T413-V415 PolarHBondContact O-N 3.35Å; V415-R417 PolarHBondContact O-N 3.2Å | ||
| 416 | P | 38.4 | Very low | 44.5 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -72.2 | 117.8 | -175.9 | 25.9 | -30.2 | 0 | 0 | 0 | 111.6 | ||||
| 417 | R | 37 | Very low | 42.7 | Very low | 235 Ų | 235 | 125.5 Ų | 125.5 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -108.7 | 124.6 | 164.8 | -89.5 | -172.6 | 162.6 | 109.6 | -3.1 | 110.1 | V415 | V415-R417 PolarHBondContact O-N 3.2Š| ||
| 418 | G | 31.1 | Very low | 40.5 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 81% | 0.814 | 73% | 0.732 | S | S | * | * | trans | -65.6 | 155 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 419 | H | 33.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | trans | -95 | 163.7 | -176.6 | -166.9 | 71.5 | 0 | 0 | 0 | 112.2 | ||||
| 420 | N | 31 | Very low | 36.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | 74.4 | 132.1 | -176.4 | -57.5 | -52.5 | 0 | 0 | 0 | 114.6 | ||||
| 421 | Q | 33.4 | Very low | 35.6 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | cis | -133.4 | 176.1 | 9.4 | -67.4 | -173.6 | -3.9 | 0 | 0 | 114.1 | ||||
| 422 | L | 31.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -57.1 | 169.8 | 175.9 | -82.7 | 58.9 | 0 | 0 | 0 | 115 | ||||
| 423 | A | 29.9 | Very low | 33.1 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | 179.6 | 173.2 | -25.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 424 | S | 28.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 95.7 | 140 | 150.5 | -147.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 425 | L | 31.4 | Very low | 31.3 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | 63.1 | 136.6 | 167.8 | -62.9 | 159.6 | 0 | 0 | 0 | 118.9 | ||||
| 426 | G | 27.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | cis | 154.2 | 66.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 427 | S | 26.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -169.2 | 110.8 | 162 | -156.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 428 | S | 25.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | 81.5 | 100 | 75.4 | -59.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 429 | S | 28.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -160.1 | 128.5 | 148.3 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 430 | V | 28.8 | Very low | 29.3 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | 41.8 | 128.4 | 159.2 | -108 | 0 | 0 | 0 | 0 | 123 | ||||
| 431 | H | 29.6 | Very low | 29.1 | Very low | 188 Ų | 188 | 136 Ų | 136 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 156.1 | 152.5 | -99.3 | 36.8 | 0 | 0 | 0 | 110.8 | ||
| 432 | A | 28.6 | Very low | 28.7 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 140.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 433 | G | 31.7 | Very low | 28.4 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 147.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 434 | M | 31.7 | Very low | 28.2 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 155 | 171.1 | -62.4 | 173.7 | 175.4 | 0 | 0 | 111.4 | ||
| 435 | M | 30.5 | Very low | 28.1 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 96% | 0.961 | 83% | 0.833 | S | S | * | * | trans | -125.9 | 124.2 | 160.2 | -75 | -70.5 | -94.9 | 0 | 0 | 108.5 | ||||
| 436 | A | 29.4 | Very low | 27.9 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -114 | 143.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 437 | V | 29.8 | Very low | 27.9 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -85.8 | 142.7 | 174.3 | 179 | 0 | 0 | 0 | 0 | 109 | ||||
| 438 | N | 27.3 | Very low | 27.8 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -149.3 | 138.3 | 158.7 | -112.4 | -17.6 | 0 | 0 | 0 | 111.2 | ||||
| 439 | S | 27.2 | Very low | 27.9 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 64% | 0.643 | 82% | 0.821 | S | S | * | * | trans | -114 | 145.3 | 168.1 | -62.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 440 | F | 26.7 | Very low | 27.8 | Very low | 208 Ų | 208 | 136 Ų | 136 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | trans | 178.3 | -178.9 | 133.5 | -97.4 | -61.5 | 0 | 0 | 0 | 110.6 | ||||
| 441 | T | 26.5 | Very low | 27.9 | Very low | 134 Ų | 134 | 138 Ų | 138 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -122 | 153.8 | -156.3 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 442 | G | 25.6 | Very low | 27.7 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 143.9 | 122.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 443 | S | 26 | Very low | 27.8 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -48.4 | 149.5 | 165.4 | 47.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 444 | E | 25.2 | Very low | 27.6 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | -168.8 | -159.2 | 106.3 | -102.9 | -169.9 | 178.3 | 0 | 0 | 113.4 | |||||
| 445 | V | 25.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -130.6 | 165.2 | -146.8 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 446 | A | 27.5 | Very low | 27.5 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | 77.6 | 160.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 447 | Q | 26.6 | Very low | 27.3 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -160.7 | 168.6 | -23.7 | -112.9 | 176.8 | 4.5 | 0 | 0 | 109.7 | ||||
| 448 | T | 25.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 47.1 | 104.6 | 152.3 | 53.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 449 | A | 27 | Very low | 27.4 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | 68.5 | 133.7 | 110.5 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 450 | N | 27.5 | Very low | 27.5 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | 113.1 | 150.3 | 125.6 | -142 | -0.7 | 0 | 0 | 0 | 119.2 | |||||
| 451 | Q | 29.7 | Very low | 27.9 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | 68.5 | 142.6 | 176.1 | -48.4 | -176.1 | 20.9 | 0 | 0 | 117.5 | ||||
| 452 | G | 25.9 | Very low | 28.8 | Very low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | cis | 155.4 | 110 | -15.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 453 | F | 30.7 | Very low | 29.1 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | 62.6 | 157.8 | 165.5 | -62 | -93.9 | 0 | 0 | 0 | 117.8 | ||||
| 454 | S | 28.9 | Very low | 29.1 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | cis | -169.2 | 156.4 | -32.1 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 455 | R | 28.7 | Very low | 29.3 | Very low | 250 Ų | 250 | 137.6 Ų | 137.6 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | -169.1 | 141.1 | 139.5 | -106.5 | 166.8 | -164 | -123.7 | 1.1 | 109.8 | ||||
| 456 | S | 30.5 | Very low | 29.4 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -132.9 | 150.6 | -171.4 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 457 | T | 25.2 | Very low | 30.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -157.1 | 146.3 | 141.2 | 26.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 458 | S | 30 | Very low | 30.2 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -133.1 | 164.4 | 179.8 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 459 | S | 29 | Very low | 30.5 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -146.4 | 151.5 | 164.2 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 460 | V | 30.5 | Very low | 30.7 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -135.9 | 154 | -166.9 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 461 | S | 34.8 | Very low | 31.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -62 | 173.5 | -178.9 | -35.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 462 | P | 44.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -144.2 | -176.4 | 119.5 | 36.8 | -20.7 | 0 | 0 | 0 | 117 | |||||
| 463 | H | 32.3 | Very low | 31.7 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 171.7 | -163.1 | -76.7 | -93.6 | 0 | 0 | 0 | 119.2 | ||||
| 464 | G | 26 | Very low | 31.6 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -154.1 | 160.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 465 | Y | 29.9 | Very low | 31.6 | Very low | 212 Ų | 212 | 136.5 Ų | 136.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -152.8 | 125.3 | -167.8 | -123.2 | -116.1 | 0 | 0 | 0 | 114.1 | ||||
| 466 | V | 27.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | 52 | 174.4 | 158.1 | -89.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 467 | P | 42.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | cis | -133 | 163.4 | -4.4 | 38.4 | -20.1 | 0 | 0 | 0 | 119.2 | ||||
| 468 | S | 28.1 | Very low | 31.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 35.2 | 132.8 | 137.4 | -164 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 469 | S | 30.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -159.9 | 148.1 | 144.4 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 470 | T | 32.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -114.3 | 164.2 | 176.7 | 54 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 471 | P | 41.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | -131.8 | 158.1 | 97.7 | 13.7 | 8.4 | 0 | 0 | 0 | 112.6 | |||||
| 472 | Q | 30.5 | Very low | 31.5 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | cis | 89.3 | 140.7 | 40.1 | -90.3 | -77.2 | 5.2 | 0 | 0 | 115.5 | ||||
| 473 | Q | 30.6 | Very low | 30.8 | Very low | 190 Ų | 190 | 137 Ų | 137 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | 67.3 | 150.7 | -174.3 | -53 | -171.8 | 7.9 | 0 | 0 | 117.1 | ||||
| 474 | G | 29.6 | Very low | 30.9 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | cis | 176.3 | 136.8 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 475 | S | 28.7 | Very low | 30.9 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 148 | -174.9 | -47.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 476 | Y | 27.5 | Very low | 30.9 | Very low | 239 Ų | 239 | 137 Ų | 137 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -155.3 | 161.3 | 142.4 | -113.1 | -73.9 | 0 | 0 | 0 | 112.4 | ||||
| 477 | S | 28.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -127.2 | 143.6 | -170.3 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 478 | S | 29 | Very low | 30.4 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -155.1 | 141.1 | 161.7 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 479 | V | 29.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -99 | 139.8 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 480 | S | 29 | Very low | 30.5 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -155.8 | 124.6 | 160.9 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 481 | T | 31.2 | Very low | 30.3 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -98.7 | 139 | 177.2 | -40.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 482 | S | 31.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | trans | -159.1 | 158.4 | 160.2 | 52.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 483 | M | 30.5 | Very low | 29.7 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -109.7 | 160.8 | -171.3 | -63.4 | 173.2 | 66.3 | 0 | 0 | 113.4 | ||||
| 484 | N | 32.7 | Very low | 29.7 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | 49.7 | 122.5 | 147.6 | -67.1 | -3 | 0 | 0 | 0 | 120.9 | ||||
| 485 | G | 27.2 | Very low | 29.6 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -156.5 | 124.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 486 | Y | 30.3 | Very low | 29.5 | Very low | 242 Ų | 242 | 134.5 Ų | 134.5 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | -87.6 | 133.8 | 174.5 | -87.8 | -108.7 | 0 | 0 | 0 | 110.7 | ||||
| 487 | A | 27.8 | Very low | 29.7 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -161.2 | 153.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 488 | N | 30.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -93.3 | 161 | -165.4 | -171.7 | 26.9 | 0 | 0 | 0 | 114.5 | ||||
| 489 | S | 29.5 | Very low | 30 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | 54 | 119.2 | 147.8 | 59.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 490 | G | 30.1 | Very low | 29.9 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -170.9 | 130 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 491 | M | 29.4 | Very low | 29.9 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 96% | 0.961 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 117.6 | -174.6 | -173.2 | 170.3 | 86.1 | 0 | 0 | 111.6 | ||||
| 492 | A | 30.5 | Very low | 29.7 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -150.4 | 156.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 493 | T | 28.7 | Very low | 29.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -100.4 | 173 | -167 | 40.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 494 | L | 30.2 | Very low | 29.4 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | 70.1 | 147.4 | 177.4 | -55.8 | 107.3 | 0 | 0 | 0 | 115.5 | ||||
| 495 | G | 27.7 | Very low | 29.2 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 83% | 0.827 | S | S | * | * | cis | 178.9 | 155.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 496 | T | 27.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | trans | 37.9 | 112.8 | 157.6 | 45.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 497 | S | 30.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | 55.4 | 138.3 | 126.8 | -47 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 498 | P | 38.1 | Very low | 29.1 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | -146.6 | 159.5 | 88.9 | 38.7 | -23 | 0 | 0 | 0 | 117.8 | |||||
| 499 | N | 26.7 | Very low | 29.2 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 5.4 | 133.1 | 158.8 | -58.7 | 2.3 | 0 | 0 | 0 | 121.6 | ||||
| 500 | F | 28.3 | Very low | 29.1 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 150.2 | 157.4 | -76.2 | -102.3 | 0 | 0 | 0 | 111.9 | ||
| 501 | L | 28.6 | Very low | 28.9 | Very low | 178 Ų | 178 | 131 Ų | 131 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 145.6 | 164.8 | -83.2 | 166.1 | 0 | 0 | 0 | 111.1 | ||
| 502 | N | 27.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 143.9 | 177.6 | -175.6 | 15.1 | 0 | 0 | 0 | 110.9 | ||
| 503 | G | 27 | Very low | 29 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -143.2 | 109.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 504 | S | 28.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -93 | 146.1 | -170.6 | -50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 505 | A | 28.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 145.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 506 | G | 27.4 | Very low | 29.8 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -146.7 | -171.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 507 | N | 27.5 | Very low | 30.2 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 138.9 | -173.9 | -56.7 | -24.1 | 0 | 0 | 0 | 113.4 | ||||
| 508 | S | 28.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | cis | -149.1 | -145.3 | 0.5 | 48 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 509 | P | 32.4 | Very low | 29.5 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | -121.2 | 170 | -121.2 | 35.4 | -15.2 | 0 | 0 | 0 | 116 | |||||
| 510 | Y | 27.3 | Very low | 29.5 | Very low | 228 Ų | 228 | 130.4 Ų | 130.4 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | 171.3 | 162.6 | 122.5 | -102.9 | -78.3 | 0 | 0 | 0 | 112.9 | |||||
| 511 | A | 26.1 | Very low | 29.4 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | trans | -86.6 | 135.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 512 | I | 29.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | 68.4 | 104.1 | 88.8 | -58.6 | 170.3 | 0 | 0 | 0 | 114.6 | |||||
| 513 | V | 31 | Very low | 29.3 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | 6.3 | 173.8 | 145.1 | -62.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 514 | P | 46.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | cis | -125.5 | -168.1 | 5.8 | 26.7 | 0.9 | 0 | 0 | 0 | 113 | ||||
| 515 | S | 28.8 | Very low | 29.3 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | cis | -167 | 163.5 | 46.6 | -63.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 516 | S | 29.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 179.8 | 175.5 | -43 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 517 | P | 34.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -113.4 | 152.4 | 137.3 | 35.5 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 518 | T | 28.3 | Very low | 29.2 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -96.4 | 155.6 | -176.6 | -41.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 519 | M | 27.2 | Very low | 29.1 | Very low | 186 Ų | 186 | 125 Ų | 125 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -138 | 148.3 | 154.1 | -109.8 | -61.7 | -173.3 | 0 | 0 | 110.3 | ||||
| 520 | A | 25.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -113.7 | 179.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 521 | S | 25.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -96.1 | -177.9 | -162.1 | -45.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 522 | S | 27.4 | Very low | 28.9 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 77 | 154 | 170.4 | 80.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 523 | T | 27.6 | Very low | 28.8 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -140.7 | 124.5 | 9.6 | 42.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 524 | S | 28.3 | Very low | 28.7 | Very low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | 64.4 | 133.6 | 88.5 | 75.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 525 | L | 27.6 | Very low | 27.9 | Very low | 167 Ų | 167 | 119.9 Ų | 119.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 76.6 | 148.6 | 166.3 | -58.4 | 142.4 | 0 | 0 | 0 | 117.4 | ||||
| 526 | A | 25.4 | Very low | 27.8 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -167.7 | 155.3 | -21 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 527 | S | 28.4 | Very low | 27.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 74.5 | 141 | 140.7 | 66.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 528 | N | 27.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 127.7 Ų | 127.7 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 59.4 | 142.6 | 160 | -61.5 | -11.1 | 0 | 0 | 0 | 118.6 | ||||
| 529 | C | 25.5 | Very low | 27.1 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -136.2 | 151.8 | 17.9 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 530 | S | 26.1 | Very low | 27.8 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 73.6 | 91.4 | 57.7 | -45.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 531 | S | 29.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | trans | -174.7 | 169.3 | 141.1 | 42.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 532 | S | 26 | Very low | 28.2 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -142.9 | 169.1 | -161.2 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 533 | S | 29.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 70.7 | 134.6 | 158.6 | 62.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 534 | G | 27.7 | Very low | 28.3 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 169.8 | 60.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 535 | I | 30.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -93.4 | 125.3 | 179.9 | -54.2 | 167 | 0 | 0 | 0 | 109.2 | ||||
| 536 | F | 25.7 | Very low | 28.3 | Very low | 210 Ų | 210 | 126.2 Ų | 126.2 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -161.3 | 142.2 | 143.2 | -88.2 | -59.6 | 0 | 0 | 0 | 110.7 | ||||
| 537 | S | 26.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | trans | -111.4 | 152 | 169.2 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 538 | F | 26.5 | Very low | 29 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | 178.8 | 167.4 | 134.1 | -90.2 | -55.8 | 0 | 0 | 0 | 111.3 | ||||
| 539 | S | 25.7 | Very low | 29.2 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 172.3 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 540 | P | 41.6 | Very low | 29.4 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | cis | -140.3 | -168.5 | 13.6 | 43.7 | -24.7 | 0 | 0 | 0 | 115.9 | ||||
| 541 | A | 28.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | 69.9 | 154.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 542 | N | 30.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | cis | -142 | -171.3 | 11.3 | -149.3 | -8.1 | 0 | 0 | 0 | 113.2 | ||||
| 543 | M | 27.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -57.7 | 149.6 | -170.8 | -53.7 | 178.7 | -170.1 | 0 | 0 | 117.7 | ||||
| 544 | V | 29.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | 175.3 | 144.8 | 104.7 | 156.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 545 | S | 27.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -23.8 | 127.9 | 174.9 | -50.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 546 | A | 29.5 | Very low | 31.2 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -150.5 | 139.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 547 | A | 33.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -94.3 | 131.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 548 | V | 34.1 | Very low | 31.9 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -127.1 | 118.4 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | Q550 | V548-Q550 PolarHBondContact O-N 2.8Š| ||
| 549 | K | 31.3 | Very low | 32.2 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118.2 | 165.2 | -72 | 172.9 | 174.3 | 172.4 | 0 | 109.1 | K551 | K549-K551 PolarHBondContact O-N 3.09Š|
| 550 | Q | 30.2 | Very low | 32.5 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.6 | 162.1 | -71.8 | -157.5 | -18.4 | 0 | 0 | 109.7 | V548 | V548-Q550 PolarHBondContact O-N 2.8Š|
| 551 | K | 33.9 | Very low | 32 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 151.4 | 179.3 | -77.1 | -176.6 | 175.3 | 176.7 | 0 | 111.1 | K549 | K549-K551 PolarHBondContact O-N 3.09Š|
| 552 | S | 33.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 141.8 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 553 | A | 32.9 | Very low | 32.4 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | -96.3 | 85.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 554 | F | 35.8 | Very low | 33 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | trans | -142.7 | 120.8 | 164.4 | -96.5 | -81.7 | 0 | 0 | 0 | 109.7 | ||||
| 555 | A | 35.2 | Very low | 33.4 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 137.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 556 | P | 36.5 | Very low | 33.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 139 | 174.9 | 32 | -33.3 | 0 | 0 | 0 | 111.4 | V558 | P556-V558 PolarHBondContact O-N 3.31Š|
| 557 | V | 32.4 | Very low | 34 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 119.9 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 109 | ||
| 558 | V | 34.7 | Very low | 33.7 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 135.7 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | P556 | P556-V558 PolarHBondContact O-N 3.31Š|
| 559 | R | 32.7 | Very low | 33.4 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -125.8 | 132.3 | 170.2 | -149.2 | 178.2 | -162.1 | -174.3 | 4.9 | 107.1 | ||||
| 560 | P | 32.2 | Very low | 33.4 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -65.3 | 148.2 | -175.7 | 26.4 | -34.6 | 0 | 0 | 0 | 111.8 | ||||
| 561 | Q | 31.4 | Very low | 33.4 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -107.8 | 159.2 | 168.9 | -82.5 | -159.7 | -36.2 | 0 | 0 | 111.3 | ||||
| 562 | N | 30.9 | Very low | 33.2 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 153.9 | -175.3 | -59.9 | 1.2 | 0 | 0 | 0 | 112.3 | ||
| 563 | S | 34.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.7 | 174.4 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 564 | P | 41.6 | Very low | 33 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 163.6 | 175.7 | 32.8 | -36.4 | 0 | 0 | 0 | 113.1 | ||
| 565 | P | 38.5 | Very low | 32.7 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.4 | -178.3 | 34.9 | -35.5 | 0 | 0 | 0 | 113.4 | ||
| 566 | P | 37.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 137.9 | 167.2 | 34.2 | -31.6 | 0 | 0 | 0 | 112 | ||
| 567 | T | 30.1 | Very low | 32.4 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -109.6 | 127.2 | 167.5 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 568 | C | 27.7 | Very low | 32.3 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -133.6 | 156.3 | 169.9 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 569 | T | 28.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 140 | -162.8 | 45.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 570 | S | 30.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 32.4 | 118.4 | 147.7 | 62.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 571 | A | 29.8 | Very low | 33.3 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | -174.2 | 129.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 572 | N | 30.7 | Very low | 33.4 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 51.7 | 157 | 143 | -68.4 | -9.7 | 0 | 0 | 0 | 125 | ||||
| 573 | A | 29.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 85.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 574 | N | 32 | Very low | 33.9 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | 62.9 | 150.2 | 119.8 | -66.8 | -7.6 | 0 | 0 | 0 | 123.5 | |||||
| 575 | S | 29.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 75.9 | 148.3 | 154.1 | 76.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 576 | L | 32.2 | Very low | 35.7 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | cis | -172.8 | 149.6 | -35.4 | -112 | 157 | 0 | 0 | 0 | 107 | ||||
| 577 | Q | 32.5 | Very low | 35.9 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 63.8 | 165.1 | 155.5 | -72.4 | 165 | -10.6 | 0 | 0 | 117.7 | ||||
| 578 | A | 30.8 | Very low | 36.2 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 63% | 0.628 | 80% | 0.801 | S | S | * | * | cis | -162.4 | 138.9 | -31.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 579 | I | 36.7 | Very low | 36.6 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 71.1 | 144.5 | 137.3 | -67 | 171.5 | 0 | 0 | 0 | 119.9 | ||||
| 580 | P | 49.8 | Very low | 37.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -117.9 | 175.4 | -176.2 | 43.2 | -32.3 | 0 | 0 | 0 | 115.8 | ||||
| 581 | G | 33.9 | Very low | 37.5 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 147 | 161.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 582 | M | 32.5 | Very low | 37.9 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | cis | -168 | 163.3 | -7.8 | -119.9 | -151.6 | -46.3 | 0 | 0 | 111.9 | ||||
| 583 | I | 33.6 | Very low | 38.4 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 78.3 | 163.5 | 149.7 | -76 | 172.2 | 0 | 0 | 0 | 119.9 | ||||
| 584 | V | 43.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -130.5 | -145.7 | -149.9 | -153.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 585 | P | 56.3 | Low | 39.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -116.1 | -175 | -131.9 | 45.1 | -29.1 | 0 | 0 | 0 | 116.2 | ||||
| 586 | P | 61.8 | Low | 40.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -134.8 | 158.2 | 139.6 | 38.4 | -26.7 | 0 | 0 | 0 | 112.6 | ||||
| 587 | M | 42 | Very low | 41.2 | Very low | 261 Ų | 261 | 139.5 Ų | 139.5 | 100% | 1.286 | 81% | 0.809 | S | S | * | * | cis | -128.8 | 0 | -16 | -77.8 | -161.1 | 171.6 | 0 | 0 | 108.6 |
Retrieved 587 of 587 residues in 237.5 ms
(Link to these results)