| 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 | T | 35.5 | Very low | 35.1 | Very low | 199 Ų | 199 | 177.7 Ų | 177.7 | 100% | 1.221 | 87% | 0.869 | S | S | * | * | 0 | 139.9 | 0 | 8.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2 | M | 35.6 | Very low | 35.8 | Very low | 187 Ų | 187 | 176.8 Ų | 176.8 | 92% | 0.921 | 86% | 0.861 | S | S | * | * | trans | -68.7 | 143.1 | 176.2 | -71.6 | 173.7 | 139.5 | 0 | 0 | 111.8 | ||||
| 3 | Q | 33.7 | Very low | 36.7 | Very low | 183 Ų | 183 | 171.7 Ų | 171.7 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | trans | 157.4 | 141 | 154.9 | -95.5 | 175.7 | 1.9 | 0 | 0 | 108 | ||||
| 4 | T | 36.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 162.9 Ų | 162.9 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | cis | -153.9 | 165.9 | -3.9 | -16 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | K | 34.5 | Very low | 37.9 | Very low | 191 Ų | 191 | 162.6 Ų | 162.6 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -53 | 148.4 | 169.6 | -94.5 | 177.1 | 172.7 | 175 | 0 | 115.4 | ||||
| 6 | V | 35.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | 65.3 | 113.4 | 138.9 | 177.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 7 | Q | 33.9 | Very low | 38.8 | Very low | 194 Ų | 194 | 159.8 Ų | 159.8 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -150.1 | 120.7 | 134.7 | -139.4 | 163.3 | 2.5 | 0 | 0 | 113 | ||||
| 8 | N | 34.8 | Very low | 39 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -87.5 | 161.5 | 170.7 | -141.1 | -17.8 | 0 | 0 | 0 | 109.3 | ||||
| 9 | K | 33.7 | Very low | 39.1 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | 70.3 | 96.4 | 177.7 | -55.4 | 178.1 | 175.2 | -179.9 | 0 | 117.8 | ||||
| 10 | K | 36.6 | Very low | 39.1 | Very low | 208 Ų | 208 | 154.9 Ų | 154.9 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | -173.6 | 74.9 | 127.5 | -106.4 | 176.8 | -177.8 | -179.2 | 0 | 112.5 | |||||
| 11 | R | 36.1 | Very low | 39 | Very low | 212 Ų | 212 | 154.5 Ų | 154.5 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -154.7 | 24.1 | 156.8 | -118.7 | 172.8 | 178.2 | 179.8 | -2.9 | 116.3 | V13 A14 | R11-V13 PolarHBondContact O-N 2.7Å; R11-A14 HydrophobicContact CG-CB 3.91Å; R11-A14 PolarHBondContact O-N 2.74Å | ||
| 12 | Q | 43.1 | Very low | 39 | Very low | 166 Ų | 166 | 155.5 Ų | 155.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 11.4 | 168.1 | -86.3 | -179.5 | -51.1 | 0 | 0 | 114.6 | ||
| 13 | V | 47.4 | Very low | 39.2 | Very low | 111 Ų | 111 | 150 Ų | 150 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -16.2 | 175.2 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | R11 F15 | R11-V13 PolarHBondContact O-N 2.7Å; V13-F15 VanDerWaalsContact C-N 3.34Å |
| 14 | A | 44.4 | Very low | 39.2 | Very low | 49 Ų | 49 | 150.2 Ų | 150.2 | 41% | 0.405 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -31.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R11 F16 I17 L18 | R11-A14 HydrophobicContact CG-CB 3.91Å; R11-A14 PolarHBondContact O-N 2.74Å; A14-F16 PolarHBondContact O-N 2.86Å; A14-I17 PolarHBondContact O-N 3.14Å; A14-L18 PolarHBondContact O-N 3.45Å |
| 15 | F | 47.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -18.8 | 176.7 | -141 | -92.6 | 0 | 0 | 0 | 113.5 | V13 | V13-F15 VanDerWaalsContact C-N 3.34Š|
| 16 | F | 44.3 | Very low | 38.9 | Very low | 148 Ų | 148 | 145 Ų | 145 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -13.1 | 178.9 | -107.5 | -82.1 | 0 | 0 | 0 | 114.3 | A14 | A14-F16 PolarHBondContact O-N 2.86Š|
| 17 | I | 46.4 | Very low | 39.2 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -26.8 | 176.7 | -64.9 | 177.5 | 0 | 0 | 0 | 110.9 | A14 L19 M20 | A14-I17 PolarHBondContact O-N 3.14Å; I17-L19 VanDerWaalsContact C-N 3.28Å; I17-M20 PolarHBondContact O-N 3.31Å |
| 18 | L | 41.9 | Very low | 39.8 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -73.2 | -20.3 | 168.4 | -156.6 | 70.2 | 0 | 0 | 0 | 112.8 | A14 M20 | A14-L18 PolarHBondContact O-N 3.45Å; L18-M20 VanDerWaalsContact C-N 3.35Å |
| 19 | L | 41.4 | Very low | 41.3 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 41% | 0.414 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -83.7 | -5.3 | 176.3 | -124.8 | 79.5 | 0 | 0 | 0 | 114.2 | I17 W22 | I17-L19 VanDerWaalsContact C-N 3.28Å; L19-W22 HydrophobicContact CD1-CE3 4.4Å; L19-W22 HydrophobicContact CD1-CH2 4.26Å; L19-W22 HydrophobicContact CD1-CZ3 4.14Å; L19-W22 HydrophobicContact CG-CE3 4.17Å; L19-W22 HydrophobicContact CG-CZ3 4.27Å |
| 20 | M | 38.2 | Very low | 43.5 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -106.4 | 26.2 | 179.3 | -74.1 | -78.7 | -86.7 | 0 | 0 | 112.5 | I17 L18 | I17-M20 PolarHBondContact O-N 3.31Å; L18-M20 VanDerWaalsContact C-N 3.35Å |
| 21 | L | 37.1 | Very low | 45.8 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 78% | 0.775 | 67% | 0.674 | S | S | * | * | trans | -123.7 | 14.9 | 161.9 | -81.1 | 166.3 | 0 | 0 | 0 | 111.9 | G23 | L21-G23 PolarHBondContact O-N 3.37Š| ||
| 22 | W | 36.9 | Very low | 48.2 | Very low | 219 Ų | 219 | 119 Ų | 119 | 83% | 0.83 | 64% | 0.639 | S | S | * | * | trans | -83.8 | 64.8 | 167.2 | -77.4 | -3 | 0 | 0 | 0 | 110.5 | L19 | L19-W22 HydrophobicContact CD1-CE3 4.4Å; L19-W22 HydrophobicContact CD1-CH2 4.26Å; L19-W22 HydrophobicContact CD1-CZ3 4.14Å; L19-W22 HydrophobicContact CG-CE3 4.17Å; L19-W22 HydrophobicContact CG-CZ3 4.27Å | ||
| 23 | G | 39.1 | Very low | 50.3 | Low | 71 Ų | 71 | 113.4 Ų | 113.4 | 73% | 0.732 | 62% | 0.619 | S | S | * | * | trans | -141.9 | 17.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L21 | L21-G23 PolarHBondContact O-N 3.37Š| ||
| 24 | E | 32.5 | Very low | 52.4 | Low | 188 Ų | 188 | 108.7 Ų | 108.7 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -113.1 | 118.6 | 170.8 | -70.8 | -159.9 | 154 | 0 | 0 | 111.6 | G26 | E24-G26 PolarHBondContact O-N 3.29Š|
| 25 | V | 34.9 | Very low | 54.4 | Low | 135 Ų | 135 | 110.7 Ų | 110.7 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -21.7 | 115.4 | 164.2 | -179.3 | 0 | 0 | 0 | 0 | 113.6 | S27 | V25-S27 PolarHBondContact O-N 3.35Š| ||
| 26 | G | 31.1 | Very low | 56.4 | Low | 75 Ų | 75 | 103.1 Ų | 103.1 | 77% | 0.773 | 56% | 0.561 | S | S | * | * | trans | -65.7 | 96.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E24 E28 | E24-G26 PolarHBondContact O-N 3.29Å; G26-E28 PolarHBondContact O-N 3.32Å | ||
| 27 | S | 40.8 | Very low | 58.4 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | trans | -81.4 | 89.1 | 165.4 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | V25 S29 | V25-S27 PolarHBondContact O-N 3.35Å; S27-S29 PolarHBondContact O-N 3.09Å; S27-S29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | E | 48.3 | Very low | 60.4 | Low | 184 Ų | 184 | 94.2 Ų | 94.2 | 86% | 0.86 | 52% | 0.52 | S | S | * | . | trans | -57.6 | 113.1 | 163.5 | -73.9 | -174.4 | 138.2 | 0 | 0 | 108.2 | G26 I30 | G26-E28 PolarHBondContact O-N 3.32Å; E28-I30 PolarHBondContact O-N 3.35Å | ||
| 29 | S | 66.1 | Low | 62.6 | Low | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 120.7 | 173.5 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | S27 Q31 | S27-S29 PolarHBondContact O-N 3.09Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S29-Q31 PolarHBondContact O-N 2.94Å |
| 30 | I | 78.8 | Confident | 64.7 | Low | 40 Ų | 40 | 93.3 Ų | 93.3 | 21% | 0.205 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 120 | -172.5 | -54.5 | 173.4 | 0 | 0 | 0 | 108.7 | E28 Y32 L51 Q117 A118 S119 | E28-I30 PolarHBondContact O-N 3.35Å; I30-Y32 HydrophobicContact CB-CE2 4.41Å; I30-Y32 HydrophobicContact CG2-CD1 4.32Å; I30-Y32 HydrophobicContact CG2-CD2 4.4Å; I30-Y32 HydrophobicContact CG2-CE1 3.65Å; I30-Y32 HydrophobicContact CG2-CE2 3.77Å; I30-Y32 WeakPolarHBondContact CG2-OH 3.48Å; I30-L51 HydrophobicContact CD1-CD2 3.53Å; I30-L51 HydrophobicContact CD1-CG 4.47Å; I30-Q117 PolarHBondContact N-O 3.18Å; I30-A118 HydrophobicContact CB-CB 4.42Å; I30-A118 CarbonylContact O-C 3.49Å; I30-A118 WeakPolarHBondContact O-CA 3.14Å; I30-A118 WeakPolarHBondContact O-CB 3.44Å; I30-S119 PolarHBondContact O-N 2.89Å |
| 31 | Q | 84.5 | Confident | 66.7 | Low | 113 Ų | 113 | 87.1 Ų | 87.1 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.6 | 178.1 | -176.3 | 166.6 | 67.3 | 0 | 0 | 110.3 | S29 R121 | S29-Q31 PolarHBondContact O-N 2.94Å; Q31-R121 HydrophobicContact CG-CB 4.49Å |
| 32 | Y | 87.6 | Confident | 69.1 | Low | 17 Ų | 17 | 82.5 Ų | 82.5 | 7% | 0.067 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 155.8 | 168.5 | -55.9 | -65.1 | 0 | 0 | 0 | 109.2 | I30 V44 A45 L47 L83 F105 A118 S119 R121 | I30-Y32 HydrophobicContact CB-CE2 4.41Å; I30-Y32 HydrophobicContact CG2-CD1 4.32Å; I30-Y32 HydrophobicContact CG2-CD2 4.4Å; I30-Y32 HydrophobicContact CG2-CE1 3.65Å; I30-Y32 HydrophobicContact CG2-CE2 3.77Å; I30-Y32 WeakPolarHBondContact CG2-OH 3.48Å; Y32-V44 HydrophobicContact CG-CG1 4.48Å; Y32-A45 HydrophobicContact CD1-CB 3.35Å; Y32-A45 HydrophobicContact CE1-CB 3.17Å; Y32-A45 HydrophobicContact CG-CB 4.21Å; Y32-L47 HydrophobicContact CE2-CD2 4.48Å; Y32-L47 VanDerWaalsContact OH-CD2 3.31Å; Y32-L47 WeakPolarHBondContact OH-CD2 3.3Å; Y32-L83 HydrophobicContact CD2-CD2 3.81Å; Y32-L83 HydrophobicContact CE2-CD2 3.78Å; Y32-L83 HydrophobicContact CG-CD2 4.31Å; Y32-F105 HydrophobicContact CD2-CE1 4.09Å; Y32-F105 AromaticContact CD2-CZ 3.69Å; Y32-F105 HydrophobicContact CD2-CZ 3.69Å; Y32-F105 AromaticContact CE2-CZ 3.88Å; Y32-F105 HydrophobicContact CE2-CZ 3.88Å; Y32-A118 HydrophobicContact CD2-CB 4.44Å; Y32-A118 HydrophobicContact CE2-CB 4.14Å; Y32-S119 PolarHBondContact N-O 2.93Å; Y32-R121 PolarHBondContact O-N 3.12Å |
| 33 | S | 87.6 | Confident | 71.6 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 35% | 0.35 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.7 | 171.1 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | R121 R123 | S33-R121 WeakPolarHBondContact CA-O 3.21Å; S33-R121 WeakPolarHBondContact CB-O 3.37Å; S33-R123 PolarHBondContact OG-NE 3.27Å; S33-R123 PolarHBondContact OG-NH2 3.19Å |
| 34 | V | 90.4 | Very high | 73.8 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 7% | 0.073 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.9 | 171.5 | 73.2 | 0 | 0 | 0 | 0 | 107.3 | T38 V44 L89 L120 R121 R123 | V34-T38 HydrophobicContact CG2-CG2 4.05Å; V34-V44 HydrophobicContact CG2-CG2 4.43Å; V34-L89 HydrophobicContact CG1-CD1 4.07Å; V34-L120 HydrophobicContact CB-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD1 3.9Å; V34-L120 HydrophobicContact CG1-CD2 4.14Å; V34-L120 HydrophobicContact CG1-CG 4.17Å; V34-R121 PolarHBondContact N-O 3.5Å; V34-R123 PolarHBondContact O-N 2.89Å |
| 35 | L | 87.6 | Confident | 76.3 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 151.4 | 163.1 | -60.5 | 171.5 | 0 | 0 | 0 | 107.7 | T38 R123 I125 | L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-OG1 3.08Å; L35-R123 HydrophobicContact CD2-CB 3.91Å; L35-I125 HydrophobicContact CB-CD1 3.94Å; L35-I125 HydrophobicContact CB-CG1 4.19Å; L35-I125 HydrophobicContact CD1-CD1 4.45Å |
| 36 | E | 88.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 177.5 | 164.6 | 78.3 | -174.9 | 116.1 | 0 | 0 | 111.8 | T38 L89 R91 E92 V122 R123 D124 I125 | E36-T38 PolarHBondContact O-N 2.85Å; E36-T38 PolarHBondContact O-OG1 2.92Å; E36-L89 WeakPolarHBondContact CA-O 3.28Å; E36-L89 WeakPolarHBondContact CB-O 3.41Å; E36-R91 HydrophobicContact CB-CB 4.25Å; E36-R91 IonicContact OE1-NE 2.66Å; E36-R91 WeakPolarHBondContact OE2-CA 3.4Å; E36-R91 WeakPolarHBondContact OE2-CB 3.26Å; E36-R91 PolarHBondContact OE2-N 3.45Å; E36-E92 VanDerWaalsContact OE2-OE2 3.08Å; E36-V122 HydrophobicContact CB-CG1 3.7Å; E36-R123 PolarHBondContact N-O 3.24Å; E36-D124 WeakPolarHBondContact OE1-CA 3.24Å; E36-I125 HydrophobicContact CG-CB 3.93Å; E36-I125 HydrophobicContact CG-CD1 4.3Å; E36-I125 HydrophobicContact CG-CG1 3.96Å; E36-I125 WeakPolarHBondContact O-CD1 3.22Å; E36-I125 PolarHBondContact OE1-N 2.85Å |
| 37 | E | 87.3 | Confident | 81 | Confident | 65 Ų | 65 | 59 Ų | 59 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 13.4 | -179.9 | -69.9 | -73.3 | 76.7 | 0 | 0 | 115.1 | K88 L89 I125 | E37-K88 VanDerWaalsContact C-CE 3.49Å; E37-K88 VanDerWaalsContact CD-CE 3.44Å; E37-K88 WeakPolarHBondContact O-CE 3.43Å; E37-K88 WeakPolarHBondContact OE1-CD 3.27Å; E37-K88 WeakPolarHBondContact OE1-CE 3.15Å; E37-K88 WeakPolarHBondContact OE1-CG 3.4Å; E37-K88 IonicContact OE1-NZ 3.08Å; E37-K88 PolarHBondContact OE1-NZ 2.76Å; E37-K88 VanDerWaalsContact OE1-NZ 3.13Å; E37-K88 WeakPolarHBondContact OE2-CE 3.31Å; E37-K88 IonicContact OE2-NZ 3.96Å; E37-K88 PolarHBondContact OE2-NZ 2.86Å; E37-L89 PolarHBondContact N-O 2.72Å; E37-I125 HydrophobicContact CB-CD1 4.45Å |
| 38 | T | 88.5 | Confident | 82.7 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 135.4 | -178.9 | -68 | 0 | 0 | 0 | 0 | 109.9 | V34 L35 E36 T42 L85 | V34-T38 HydrophobicContact CG2-CG2 4.05Å; L35-T38 WeakPolarHBondContact O-CB 3.37Å; L35-T38 PolarHBondContact O-OG1 3.08Å; E36-T38 PolarHBondContact O-N 2.85Å; E36-T38 PolarHBondContact O-OG1 2.92Å; T38-T42 HydrophobicContact CG2-CG2 3.59Å; T38-T42 WeakPolarHBondContact CG2-OG1 3.35Å; T38-L85 HydrophobicContact CG2-CD2 3.96Å; T38-L85 WeakPolarHBondContact O-CD2 3.32Å |
| 39 | E | 86.8 | Confident | 84.1 | Confident | 132 Ų | 132 | 54.9 Ų | 54.9 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 145.2 | -176.8 | -73.6 | -66.8 | 171.6 | 0 | 0 | 113.1 | T42 | E39-T42 VanDerWaalsContact O-CB 3.28Å; E39-T42 WeakPolarHBondContact O-CB 3.5Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-T42 PolarHBondContact O-OG1 2.88Å |
| 40 | S | 85.6 | Confident | 84.7 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 144 | 175.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | T42 N86 | S40-T42 VanDerWaalsContact C-N 3.31Å; S40-N86 VanDerWaalsContact OG-C 3.31Å; S40-N86 PolarHBondContact OG-O 2.89Å |
| 41 | G | 82.1 | Confident | 84.6 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L85 | G41-L85 WeakPolarHBondContact CA-O 3.31Å; G41-L85 PolarHBondContact N-O 2.97Å |
| 42 | T | 87.4 | Confident | 84.2 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | trans | -64.6 | 137.3 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | T38 E39 S40 V44 L84 L85 | T38-T42 HydrophobicContact CG2-CG2 3.59Å; T38-T42 WeakPolarHBondContact CG2-OG1 3.35Å; E39-T42 VanDerWaalsContact O-CB 3.28Å; E39-T42 WeakPolarHBondContact O-CB 3.5Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-T42 PolarHBondContact O-OG1 2.88Å; S40-T42 VanDerWaalsContact C-N 3.31Å; T42-V44 PolarHBondContact O-N 2.88Å; T42-L84 CarbonylContact O-C 3.59Å; T42-L84 WeakPolarHBondContact O-CA 3.45Å; T42-L85 PolarHBondContact O-N 2.93Å | ||
| 43 | F | 88.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.2 | 176.3 | 173.3 | -87.6 | 0 | 0 | 0 | 111.8 | A45 N46 D82 L84 | F43-A45 VanDerWaalsContact CZ-C 3.43Å; F43-N46 HydrophobicContact CE2-CB 4.46Å; F43-N46 HydrophobicContact CZ-CB 4.32Å; F43-D82 HydrophobicContact CD2-CB 3.77Å; F43-D82 HydrophobicContact CE2-CB 3.76Å; F43-L84 HydrophobicContact CB-CD2 4.21Å |
| 44 | V | 85.9 | Confident | 83.1 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -48.3 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | Y32 V34 T42 L74 L83 L85 L120 | Y32-V44 HydrophobicContact CG-CG1 4.48Å; V34-V44 HydrophobicContact CG2-CG2 4.43Å; T42-V44 PolarHBondContact O-N 2.88Å; V44-L74 HydrophobicContact CG2-CD2 3.91Å; V44-L83 HydrophobicContact CB-CB 4.46Å; V44-L83 HydrophobicContact CB-CD2 4.48Å; V44-L83 HydrophobicContact CB-CG 4.22Å; V44-L83 WeakPolarHBondContact CB-O 3.31Å; V44-L83 HydrophobicContact CG1-CD2 4.26Å; V44-L83 PolarHBondContact N-O 3.39Å; V44-L85 HydrophobicContact CG2-CB 4.49Å; V44-L120 HydrophobicContact CG1-CD1 4.07Å |
| 45 | A | 84.8 | Confident | 82.1 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 5% | 0.05 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 163.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y32 F43 L83 | Y32-A45 HydrophobicContact CD1-CB 3.35Å; Y32-A45 HydrophobicContact CE1-CB 3.17Å; Y32-A45 HydrophobicContact CG-CB 4.21Å; F43-A45 VanDerWaalsContact CZ-C 3.43Å; A45-L83 HydrophobicContact CB-CB 4.35Å; A45-L83 HydrophobicContact CB-CD2 4.3Å; A45-L83 PolarHBondContact N-O 2.89Å; A45-L83 WeakPolarHBondContact O-CB 3.17Å; A45-L83 PolarHBondContact O-N 3.38Å |
| 46 | N | 84.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | trans | -100.5 | 93.2 | 173.6 | -177.4 | -83.7 | 0 | 0 | 0 | 110.4 | F43 T48 K49 D50 D82 | F43-N46 HydrophobicContact CE2-CB 4.46Å; F43-N46 HydrophobicContact CZ-CB 4.32Å; N46-T48 PolarHBondContact ND2-OG1 3.06Å; N46-T48 PolarHBondContact O-N 3.24Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 PolarHBondContact OD1-N 2.9Å; N46-T48 PolarHBondContact OD1-OG1 2.78Å; N46-K49 HydrophobicContact CB-CB 4.33Å; N46-K49 PolarHBondContact O-N 2.76Å; N46-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 WeakPolarHBondContact OD1-CB 3.25Å; N46-K49 PolarHBondContact OD1-N 3.26Å; N46-D50 PolarHBondContact O-N 3.25Å; N46-D50 VanDerWaalsContact O-N 3.12Å; N46-D82 WeakPolarHBondContact CB-OD1 3.41Å; N46-D82 PolarHBondContact ND2-OD1 3.31Å | ||
| 47 | L | 80.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.7 | -28.7 | -176.9 | -88.8 | 163.6 | 0 | 0 | 0 | 114.3 | Y32 L51 L58 L76 L83 V107 | Y32-L47 HydrophobicContact CE2-CD2 4.48Å; Y32-L47 VanDerWaalsContact OH-CD2 3.31Å; Y32-L47 WeakPolarHBondContact OH-CD2 3.3Å; L47-L51 HydrophobicContact CD2-CD1 3.84Å; L47-L51 HydrophobicContact CD2-CG 4.11Å; L47-L51 VanDerWaalsContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.43Å; L47-L51 VanDerWaalsContact O-N 3.1Å; L47-L58 HydrophobicContact CB-CD1 3.76Å; L47-L76 HydrophobicContact CD1-CD2 3.54Å; L47-L83 HydrophobicContact CD1-CB 3.96Å; L47-L83 HydrophobicContact CD1-CD1 3.88Å; L47-L83 HydrophobicContact CD1-CD2 4.22Å; L47-L83 HydrophobicContact CD1-CG 4.26Å; L47-L83 HydrophobicContact CG-CB 4.28Å; L47-L83 HydrophobicContact CG-CD2 4.42Å; L47-V107 HydrophobicContact CD1-CG2 4.37Å; L47-V107 HydrophobicContact CD2-CG2 3.94Å |
| 48 | T | 76 | Confident | 80.3 | Confident | 22 Ų | 22 | 64 Ų | 64 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62 | -46 | 175.1 | 23.9 | 0 | 0 | 0 | 0 | 112 | N46 G52 L53 L58 | N46-T48 PolarHBondContact ND2-OG1 3.06Å; N46-T48 PolarHBondContact O-N 3.24Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 PolarHBondContact OD1-N 2.9Å; N46-T48 PolarHBondContact OD1-OG1 2.78Å; T48-G52 PolarHBondContact O-N 3.23Å; T48-L53 PolarHBondContact O-N 2.89Å; T48-L58 HydrophobicContact CG2-CB 4.4Å; T48-L58 HydrophobicContact CG2-CD1 3.75Å; T48-L58 HydrophobicContact CG2-CG 3.8Å |
| 49 | K | 77.7 | Confident | 79.5 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.5 | -44.9 | -177.6 | -176.9 | -173.9 | 177.9 | -167.9 | 0 | 110.9 | N46 L51 G52 | N46-K49 HydrophobicContact CB-CB 4.33Å; N46-K49 PolarHBondContact O-N 2.76Å; N46-K49 VanDerWaalsContact O-N 3.09Å; N46-K49 WeakPolarHBondContact OD1-CB 3.25Å; N46-K49 PolarHBondContact OD1-N 3.26Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.35Å; K49-G52 PolarHBondContact O-N 2.8Å; K49-G52 VanDerWaalsContact O-N 3.12Å |
| 50 | D | 79.4 | Confident | 79 | Confident | 74 Ų | 74 | 62.8 Ų | 62.8 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -75.8 | -23.4 | -172.7 | -57.3 | -25.3 | 0 | 0 | 0 | 112.2 | N46 | N46-D50 PolarHBondContact O-N 3.25Å; N46-D50 VanDerWaalsContact O-N 3.12Å |
| 51 | L | 75.9 | Confident | 78.9 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0.2 | 169.7 | -62.4 | 175.5 | 0 | 0 | 0 | 114 | I30 L47 K49 L53 L58 V107 F116 | I30-L51 HydrophobicContact CD1-CD2 3.53Å; I30-L51 HydrophobicContact CD1-CG 4.47Å; L47-L51 HydrophobicContact CD2-CD1 3.84Å; L47-L51 HydrophobicContact CD2-CG 4.11Å; L47-L51 VanDerWaalsContact O-CB 3.22Å; L47-L51 WeakPolarHBondContact O-CB 3.35Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.43Å; L47-L51 VanDerWaalsContact O-N 3.1Å; K49-L51 VanDerWaalsContact C-N 3.33Å; K49-L51 PolarHBondContact O-N 3.35Å; L51-L53 VanDerWaalsContact C-N 3.28Å; L51-L53 HydrophobicContact CB-CD1 3.82Å; L51-L53 HydrophobicContact CB-CG 3.8Å; L51-L53 HydrophobicContact CD1-CD1 4.04Å; L51-L53 PolarHBondContact O-N 2.86Å; L51-L58 HydrophobicContact CD1-CD2 4.3Å; L51-V107 HydrophobicContact CD1-CG1 4.36Å; L51-F116 HydrophobicContact CD1-CD2 4.07Å; L51-F116 HydrophobicContact CD1-CE2 4.3Å; L51-F116 HydrophobicContact CD2-CB 3.89Å; L51-F116 HydrophobicContact CD2-CD1 3.52Å; L51-F116 HydrophobicContact CD2-CD2 3.75Å; L51-F116 HydrophobicContact CD2-CE1 3.91Å; L51-F116 HydrophobicContact CD2-CE2 4.12Å; L51-F116 HydrophobicContact CD2-CG 3.43Å; L51-F116 VanDerWaalsContact CD2-CG 3.43Å; L51-F116 HydrophobicContact CD2-CZ 4.19Å |
| 52 | G | 75.3 | Confident | 78.7 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 23.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T48 K49 | T48-G52 PolarHBondContact O-N 3.23Å; K49-G52 PolarHBondContact O-N 2.8Å; K49-G52 VanDerWaalsContact O-N 3.12Å |
| 53 | L | 76.9 | Confident | 78.4 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 155.8 | -174.7 | -59.1 | 174.5 | 0 | 0 | 0 | 111.9 | T48 L51 E57 L58 L109 | T48-L53 PolarHBondContact O-N 2.89Å; L51-L53 VanDerWaalsContact C-N 3.28Å; L51-L53 HydrophobicContact CB-CD1 3.82Å; L51-L53 HydrophobicContact CB-CG 3.8Å; L51-L53 HydrophobicContact CD1-CD1 4.04Å; L51-L53 PolarHBondContact O-N 2.86Å; L53-E57 HydrophobicContact CB-CB 4.3Å; L53-L58 HydrophobicContact CD1-CD2 3.48Å; L53-L58 VanDerWaalsContact CD1-CD2 3.48Å; L53-L58 HydrophobicContact CD1-CG 4.13Å; L53-L109 HydrophobicContact CD1-CD1 4.03Å |
| 54 | R | 75.3 | Confident | 78.1 | Confident | 206 Ų | 206 | 59.5 Ų | 59.5 | 78% | 0.777 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 153 | 179 | -64.7 | -177.4 | -179.6 | -179.5 | 1.3 | 111.4 | G56 E57 | R54-G56 PolarHBondContact O-N 2.97Å; R54-E57 HydrophobicContact CB-CB 4.42Å; R54-E57 PolarHBondContact N-OE2 2.92Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 3.29Å |
| 55 | V | 70.1 | Confident | 78 | Confident | 152 Ų | 152 | 58.9 Ų | 58.9 | 92% | 0.921 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 125.4 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 110 | ||
| 56 | G | 70.6 | Confident | 77.9 | Confident | 47 Ų | 47 | 62 Ų | 62 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -10.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R54 A59 A60 | R54-G56 PolarHBondContact O-N 2.97Å; G56-A59 PolarHBondContact O-N 3.28Å; G56-A60 PolarHBondContact O-N 2.95Å |
| 57 | E | 76.1 | Confident | 78 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | -174.8 | -169.6 | 179 | 160.1 | 0 | 0 | 113 | L53 R54 A59 A60 R61 | L53-E57 HydrophobicContact CB-CB 4.3Å; R54-E57 HydrophobicContact CB-CB 4.42Å; R54-E57 PolarHBondContact N-OE2 2.92Å; R54-E57 WeakPolarHBondContact O-CB 3.41Å; R54-E57 PolarHBondContact O-N 3.29Å; E57-A59 VanDerWaalsContact C-N 3.27Å; E57-A59 PolarHBondContact O-N 2.85Å; E57-A60 PolarHBondContact O-N 2.7Å; E57-R61 VanDerWaalsContact CG-CD 3.46Å; E57-R61 HydrophobicContact CG-CG 4.01Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.08Å; E57-R61 PolarHBondContact O-N 3.24Å; E57-R61 VanDerWaalsContact OE1-CD 3.31Å; E57-R61 WeakPolarHBondContact OE1-CD 3.43Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 2.74Å; E57-R61 PolarHBondContact OE1-NH1 2.61Å; E57-R61 VanDerWaalsContact OE1-NH1 3.08Å |
| 58 | L | 77.6 | Confident | 77.7 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.7 | -38 | 175.2 | -75 | -176.9 | 0 | 0 | 0 | 113.1 | L47 T48 L51 L53 G62 A63 R81 L109 | L47-L58 HydrophobicContact CB-CD1 3.76Å; T48-L58 HydrophobicContact CG2-CB 4.4Å; T48-L58 HydrophobicContact CG2-CD1 3.75Å; T48-L58 HydrophobicContact CG2-CG 3.8Å; L51-L58 HydrophobicContact CD1-CD2 4.3Å; L53-L58 HydrophobicContact CD1-CD2 3.48Å; L53-L58 VanDerWaalsContact CD1-CD2 3.48Å; L53-L58 HydrophobicContact CD1-CG 4.13Å; L58-G62 PolarHBondContact O-N 2.68Å; L58-A63 HydrophobicContact CB-CB 4.13Å; L58-A63 HydrophobicContact CD2-CB 3.91Å; L58-A63 WeakPolarHBondContact O-CB 3.33Å; L58-A63 PolarHBondContact O-N 3.47Å; L58-A63 VanDerWaalsContact O-N 3.09Å; L58-R81 HydrophobicContact CB-CB 4.38Å; L58-R81 HydrophobicContact CD1-CB 4.2Å; L58-L109 HydrophobicContact CD2-CD2 3.73Å |
| 59 | A | 72.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.1 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G56 E57 R61 G62 | G56-A59 PolarHBondContact O-N 3.28Å; E57-A59 VanDerWaalsContact C-N 3.27Å; E57-A59 PolarHBondContact O-N 2.85Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 2.93Å; A59-G62 PolarHBondContact O-N 2.93Å |
| 60 | A | 76.6 | Confident | 76.6 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.6 | -30.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G56 E57 | G56-A60 PolarHBondContact O-N 2.95Å; E57-A60 PolarHBondContact O-N 2.7Å |
| 61 | R | 82.8 | Confident | 76.4 | Confident | 21 Ų | 21 | 75.3 Ų | 75.3 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 7.2 | -177.5 | -59.3 | -175.1 | 63.2 | -161.7 | -13.3 | 114.3 | E57 A59 L109 E110 N111 P112 | E57-R61 VanDerWaalsContact CG-CD 3.46Å; E57-R61 HydrophobicContact CG-CG 4.01Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 VanDerWaalsContact O-CG 3.26Å; E57-R61 WeakPolarHBondContact O-CG 3.08Å; E57-R61 PolarHBondContact O-N 3.24Å; E57-R61 VanDerWaalsContact OE1-CD 3.31Å; E57-R61 WeakPolarHBondContact OE1-CD 3.43Å; E57-R61 IonicContact OE1-CZ 2.7Å; E57-R61 IonicContact OE1-NH1 2.74Å; E57-R61 PolarHBondContact OE1-NH1 2.61Å; E57-R61 VanDerWaalsContact OE1-NH1 3.08Å; A59-R61 VanDerWaalsContact C-N 3.26Å; A59-R61 PolarHBondContact O-N 2.93Å; R61-L109 HydrophobicContact CB-CB 4.38Å; R61-E110 PolarHBondContact O-N 2.86Å; R61-N111 WeakPolarHBondContact CD-O 2.9Å; R61-N111 WeakPolarHBondContact CG-O 3.18Å; R61-N111 PolarHBondContact NE-O 2.87Å; R61-P112 PolarHBondContact NH2-O 2.89Å |
| 62 | G | 78.3 | Confident | 76.7 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 25% | 0.247 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 42.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L58 A59 R64 | L58-G62 PolarHBondContact O-N 2.68Å; A59-G62 PolarHBondContact O-N 2.93Å; G62-R64 PolarHBondContact O-N 2.68Å |
| 63 | A | 80.6 | Confident | 77.2 | Confident | 8 Ų | 8 | 77 Ų | 77 | 7% | 0.066 | 41% | 0.412 | C | S | . | . | trans | -57.1 | 133.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L58 L76 L108 L109 | L58-A63 HydrophobicContact CB-CB 4.13Å; L58-A63 HydrophobicContact CD2-CB 3.91Å; L58-A63 WeakPolarHBondContact O-CB 3.33Å; L58-A63 PolarHBondContact O-N 3.47Å; L58-A63 VanDerWaalsContact O-N 3.09Å; A63-L76 HydrophobicContact CB-CD1 3.8Å; A63-L76 WeakPolarHBondContact O-CD1 3.15Å; A63-L108 CarbonylContact C-O 3.57Å; A63-L108 WeakPolarHBondContact CA-O 3.05Å; A63-L109 HydrophobicContact CB-CD2 3.61Å | ||
| 64 | R | 81.9 | Confident | 77.6 | Confident | 146 Ų | 146 | 75.7 Ų | 75.7 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.8 | 175.3 | -56.9 | -172.4 | -162.5 | -152.8 | 4.6 | 111.5 | G62 V107 L108 E110 | G62-R64 PolarHBondContact O-N 2.68Å; R64-V107 WeakPolarHBondContact O-CA 3.42Å; R64-L108 PolarHBondContact N-O 2.92Å; R64-L108 PolarHBondContact O-N 3.25Å; R64-E110 IonicContact CZ-OE1 2.94Å; R64-E110 IonicContact NE-OE1 3.85Å; R64-E110 PolarHBondContact NE-OE1 2.7Å; R64-E110 IonicContact NH2-OE1 2.64Å; R64-E110 PolarHBondContact NH2-OE1 2.82Å; R64-E110 IonicContact NH2-OE2 3.05Å |
| 65 | I | 85.6 | Confident | 78.2 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.6 | 174.9 | -58.4 | 159.7 | 0 | 0 | 0 | 108.8 | F67 Q72 L74 L76 L83 F105 | I65-F67 HydrophobicContact CG2-CD2 4Å; I65-F67 HydrophobicContact CG2-CE2 3.7Å; I65-Q72 PolarHBondContact O-NE2 3.43Å; I65-L74 HydrophobicContact CD1-CB 4.15Å; I65-L76 HydrophobicContact CD1-CD2 3.84Å; I65-L76 HydrophobicContact CD1-CG 3.74Å; I65-L76 HydrophobicContact CG1-CD2 4.32Å; I65-L76 HydrophobicContact CG1-CG 4.16Å; I65-L83 HydrophobicContact CD1-CD1 3.32Å; I65-L83 HydrophobicContact CG1-CD1 4.28Å; I65-F105 HydrophobicContact CG2-CD2 3.79Å; I65-F105 HydrophobicContact CG2-CE2 4.27Å |
| 66 | V | 82.7 | Confident | 78.9 | Confident | 72 Ų | 72 | 63.4 Ų | 63.4 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 120.2 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | F105 Q106 | V66-F105 WeakPolarHBondContact O-CA 3.18Å; V66-Q106 PolarHBondContact N-O 3.41Å; V66-Q106 PolarHBondContact O-N 3.49Å |
| 67 | F | 85.1 | Confident | 79.4 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 165.2 | 170.6 | -80.5 | -93.1 | 0 | 0 | 0 | 111.1 | I65 G69 R71 H73 L74 L103 F105 | I65-F67 HydrophobicContact CG2-CD2 4Å; I65-F67 HydrophobicContact CG2-CE2 3.7Å; F67-G69 PolarHBondContact O-N 2.95Å; F67-R71 WeakPolarHBondContact CB-O 3.35Å; F67-H73 AromaticContact CD1-CD2 3.6Å; F67-H73 HydrophobicContact CE1-CB 4.14Å; F67-H73 AromaticContact CE1-CD2 3.75Å; F67-H73 HydrophobicContact CE2-CB 4.08Å; F67-H73 HydrophobicContact CZ-CB 3.85Å; F67-L74 HydrophobicContact CE2-CB 3.92Å; F67-L74 HydrophobicContact CE2-CD1 4.2Å; F67-L74 HydrophobicContact CE2-CG 4Å; F67-L74 HydrophobicContact CZ-CB 4.22Å; F67-L74 HydrophobicContact CZ-CD1 3.74Å; F67-L74 HydrophobicContact CZ-CG 3.76Å; F67-L103 HydrophobicContact CE1-CB 4.1Å; F67-F105 HydrophobicContact CD1-CB 3.67Å; F67-F105 HydrophobicContact CD2-CB 4.06Å; F67-F105 HydrophobicContact CE1-CB 3.57Å; F67-F105 AromaticContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CG 4.06Å; F67-F105 HydrophobicContact CE2-CB 3.96Å; F67-F105 HydrophobicContact CE2-CG 4.23Å; F67-F105 HydrophobicContact CG-CB 3.91Å; F67-F105 HydrophobicContact CZ-CB 3.71Å; F67-F105 AromaticContact CZ-CD1 3.84Å; F67-F105 HydrophobicContact CZ-CD1 3.84Å; F67-F105 AromaticContact CZ-CG 3.84Å; F67-F105 HydrophobicContact CZ-CG 3.84Å |
| 68 | K | 75.1 | Confident | 79.4 | Confident | 195 Ų | 195 | 65.1 Ų | 65.1 | 85% | 0.848 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78.9 | 102.8 | 175.2 | -174.6 | -178.6 | 175.9 | -173.2 | 0 | 109.9 | ||
| 69 | G | 66.7 | Low | 79.4 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 97 | 148.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F67 R71 | F67-G69 PolarHBondContact O-N 2.95Å; G69-R71 PolarHBondContact O-N 2.9Å |
| 70 | N | 62.4 | Low | 79.6 | Confident | 178 Ų | 178 | 75.1 Ų | 75.1 | 95% | 0.952 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -72.9 | 13.1 | -165.7 | -69.8 | -4.7 | 0 | 0 | 0 | 115.6 | ||
| 71 | R | 76.5 | Confident | 79.8 | Confident | 146 Ų | 146 | 75 Ų | 75 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | trans | -83.4 | 125.2 | 170.1 | -74.3 | -172 | 173.8 | 179.9 | -4.1 | 109 | F67 G69 E93 | F67-R71 WeakPolarHBondContact CB-O 3.35Å; G69-R71 PolarHBondContact O-N 2.9Å; R71-E93 IonicContact NH1-OE1 4Å; R71-E93 PolarHBondContact NH1-OE1 3.48Å | ||
| 72 | Q | 81.6 | Confident | 79.9 | Confident | 110 Ų | 110 | 75.1 Ų | 75.1 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | trans | -102.5 | 97.2 | 176.8 | -71.6 | -176.3 | -22.2 | 0 | 0 | 109.3 | I65 L74 N86 | I65-Q72 PolarHBondContact O-NE2 3.43Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.82Å; Q72-N86 WeakPolarHBondContact O-CB 3.26Å; Q72-N86 PolarHBondContact O-ND2 2.96Å | ||
| 73 | H | 85 | Confident | 80.3 | Confident | 16 Ų | 16 | 74 Ų | 74 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | trans | -72.3 | -22.9 | 179.5 | -57.5 | -57.7 | 0 | 0 | 0 | 113.1 | F67 N86 E87 L89 | F67-H73 AromaticContact CD1-CD2 3.6Å; F67-H73 HydrophobicContact CE1-CB 4.14Å; F67-H73 AromaticContact CE1-CD2 3.75Å; F67-H73 HydrophobicContact CE2-CB 4.08Å; F67-H73 HydrophobicContact CZ-CB 3.85Å; H73-N86 PolarHBondContact O-N 3.27Å; H73-E87 IonicContact CE1-OE1 2.85Å; H73-E87 PolarHBondContact CE1-OE1 3.13Å; H73-E87 VanDerWaalsContact CE1-OE1 3.29Å; H73-E87 IonicContact CG-OE1 3.15Å; H73-E87 IonicContact ND1-OE1 3.75Å; H73-E87 PolarHBondContact ND1-OE1 2.57Å; H73-L89 HydrophobicContact CB-CD2 3.94Å | ||
| 74 | L | 86.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.3 | 179.6 | -57.6 | 171.7 | 0 | 0 | 0 | 110.9 | V44 I65 F67 Q72 L83 L84 L85 F105 L120 | V44-L74 HydrophobicContact CG2-CD2 3.91Å; I65-L74 HydrophobicContact CD1-CB 4.15Å; F67-L74 HydrophobicContact CE2-CB 3.92Å; F67-L74 HydrophobicContact CE2-CD1 4.2Å; F67-L74 HydrophobicContact CE2-CG 4Å; F67-L74 HydrophobicContact CZ-CB 4.22Å; F67-L74 HydrophobicContact CZ-CD1 3.74Å; F67-L74 HydrophobicContact CZ-CG 3.76Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.82Å; L74-L83 HydrophobicContact CB-CD1 3.74Å; L74-L83 HydrophobicContact CB-CG 4.48Å; L74-L83 HydrophobicContact CD1-CD1 3.86Å; L74-L83 HydrophobicContact CD1-CD2 3.97Å; L74-L83 HydrophobicContact CD1-CG 4.03Å; L74-L83 HydrophobicContact CG-CD1 4.3Å; L74-L84 WeakPolarHBondContact CA-O 3.5Å; L74-L85 HydrophobicContact CD2-CD1 3.87Å; L74-F105 HydrophobicContact CD1-CD1 4.29Å; L74-F105 HydrophobicContact CD1-CE1 3.76Å; L74-F105 HydrophobicContact CD1-CE2 4.28Å; L74-F105 HydrophobicContact CD1-CZ 3.74Å; L74-L120 HydrophobicContact CD1-CB 4.5Å; L74-L120 HydrophobicContact CD1-CD1 4.4Å; L74-L120 HydrophobicContact CD1-CD2 4.11Å; L74-L120 HydrophobicContact CD2-CD2 3.99Å; L74-L120 HydrophobicContact CG-CD2 4.1Å |
| 75 | Q | 87.4 | Confident | 81 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 166 | 176 | 61 | -179.8 | -24.5 | 0 | 0 | 110.9 | L84 L85 N86 | Q75-L84 HydrophobicContact CG-CB 4.08Å; Q75-L84 PolarHBondContact N-O 3.41Å; Q75-L84 PolarHBondContact O-N 2.82Å; Q75-L85 PolarHBondContact NE2-O 2.89Å; Q75-N86 HydrophobicContact CB-CB 4.22Å; Q75-N86 HydrophobicContact CG-CB 4.09Å |
| 76 | L | 84.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.5 | 172.7 | -66.9 | 175.1 | 0 | 0 | 0 | 109.6 | L47 A63 I65 D82 | L47-L76 HydrophobicContact CD1-CD2 3.54Å; A63-L76 HydrophobicContact CB-CD1 3.8Å; A63-L76 WeakPolarHBondContact O-CD1 3.15Å; I65-L76 HydrophobicContact CD1-CD2 3.84Å; I65-L76 HydrophobicContact CD1-CG 3.74Å; I65-L76 HydrophobicContact CG1-CD2 4.32Å; I65-L76 HydrophobicContact CG1-CG 4.16Å; L76-D82 WeakPolarHBondContact CA-O 3.44Å |
| 77 | D | 81.8 | Confident | 81.3 | Confident | 37 Ų | 37 | 70 Ų | 70 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | trans | -58 | 132 | 173.2 | -175.3 | -90.5 | 0 | 0 | 0 | 110.7 | Q79 T80 R81 D82 L84 | D77-Q79 VanDerWaalsContact C-N 3.27Å; D77-Q79 PolarHBondContact O-N 3.42Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.46Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.27Å; D77-Q79 PolarHBondContact OD1-N 3.5Å; D77-T80 WeakPolarHBondContact CB-OG1 3.5Å; D77-T80 PolarHBondContact OD1-N 3.15Å; D77-T80 PolarHBondContact OD1-OG1 2.69Å; D77-R81 VanDerWaalsContact O-CA 3.25Å; D77-R81 WeakPolarHBondContact O-CA 3.36Å; D77-R81 VanDerWaalsContact O-CD 3.3Å; D77-R81 WeakPolarHBondContact O-CD 3.44Å; D77-R81 PolarHBondContact O-N 3.1Å; D77-D82 PolarHBondContact N-O 3.09Å; D77-L84 HydrophobicContact CB-CD1 3.82Å; D77-L84 HydrophobicContact CB-CG 4.11Å | ||
| 78 | P | 75.9 | Confident | 81.4 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 66% | 0.656 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.7 | -178 | -26.2 | 35.4 | 0 | 0 | 0 | 114.4 | R81 | P78-R81 PolarHBondContact O-NE 3.46Å; P78-R81 PolarHBondContact O-NH2 3.33Å |
| 79 | Q | 78.3 | Confident | 82 | Confident | 185 Ų | 185 | 64.7 Ų | 64.7 | 86% | 0.864 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -52.9 | -173.3 | -56.5 | -170.8 | 13.4 | 0 | 0 | 112.6 | D77 | D77-Q79 VanDerWaalsContact C-N 3.27Å; D77-Q79 PolarHBondContact O-N 3.42Å; D77-Q79 WeakPolarHBondContact OD1-CA 3.46Å; D77-Q79 WeakPolarHBondContact OD1-CB 3.27Å; D77-Q79 PolarHBondContact OD1-N 3.5Å |
| 80 | T | 76.9 | Confident | 83.1 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -22.9 | -175.4 | 71 | 0 | 0 | 0 | 0 | 113.1 | D77 D82 | D77-T80 WeakPolarHBondContact CB-OG1 3.5Å; D77-T80 PolarHBondContact OD1-N 3.15Å; D77-T80 PolarHBondContact OD1-OG1 2.69Å; T80-D82 WeakPolarHBondContact CB-OD2 3.33Å; T80-D82 PolarHBondContact O-N 3.12Å; T80-D82 WeakPolarHBondContact OG1-CB 3.37Å; T80-D82 PolarHBondContact OG1-N 2.92Å; T80-D82 PolarHBondContact OG1-OD2 3.12Å |
| 81 | R | 80.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 57 Ų | 57 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | trans | 59.7 | 24.6 | -171.6 | -57.8 | -70.9 | 165 | 146.9 | -1.6 | 114.1 | L58 D77 P78 | L58-R81 HydrophobicContact CB-CB 4.38Å; L58-R81 HydrophobicContact CD1-CB 4.2Å; D77-R81 VanDerWaalsContact O-CA 3.25Å; D77-R81 WeakPolarHBondContact O-CA 3.36Å; D77-R81 VanDerWaalsContact O-CD 3.3Å; D77-R81 WeakPolarHBondContact O-CD 3.44Å; D77-R81 PolarHBondContact O-N 3.1Å; P78-R81 PolarHBondContact O-NE 3.46Å; P78-R81 PolarHBondContact O-NH2 3.33Å | ||
| 82 | D | 84.5 | Confident | 85 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | trans | -66.1 | 153.3 | 164.9 | -66.5 | -49.1 | 0 | 0 | 0 | 111.1 | F43 N46 L76 D77 T80 L84 | F43-D82 HydrophobicContact CD2-CB 3.77Å; F43-D82 HydrophobicContact CE2-CB 3.76Å; N46-D82 WeakPolarHBondContact CB-OD1 3.41Å; N46-D82 PolarHBondContact ND2-OD1 3.31Å; L76-D82 WeakPolarHBondContact CA-O 3.44Å; D77-D82 PolarHBondContact N-O 3.09Å; T80-D82 WeakPolarHBondContact CB-OD2 3.33Å; T80-D82 PolarHBondContact O-N 3.12Å; T80-D82 WeakPolarHBondContact OG1-CB 3.37Å; T80-D82 PolarHBondContact OG1-N 2.92Å; T80-D82 PolarHBondContact OG1-OD2 3.12Å; D82-L84 HydrophobicContact CB-CD2 4.29Å; D82-L84 PolarHBondContact O-N 2.89Å | ||
| 83 | L | 86.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 110.9 | 173.9 | -171.6 | 57.8 | 0 | 0 | 0 | 108.2 | Y32 V44 A45 L47 I65 L74 F105 | Y32-L83 HydrophobicContact CD2-CD2 3.81Å; Y32-L83 HydrophobicContact CE2-CD2 3.78Å; Y32-L83 HydrophobicContact CG-CD2 4.31Å; V44-L83 HydrophobicContact CB-CB 4.46Å; V44-L83 HydrophobicContact CB-CD2 4.48Å; V44-L83 HydrophobicContact CB-CG 4.22Å; V44-L83 WeakPolarHBondContact CB-O 3.31Å; V44-L83 HydrophobicContact CG1-CD2 4.26Å; V44-L83 PolarHBondContact N-O 3.39Å; A45-L83 HydrophobicContact CB-CB 4.35Å; A45-L83 HydrophobicContact CB-CD2 4.3Å; A45-L83 PolarHBondContact N-O 2.89Å; A45-L83 WeakPolarHBondContact O-CB 3.17Å; A45-L83 PolarHBondContact O-N 3.38Å; L47-L83 HydrophobicContact CD1-CB 3.96Å; L47-L83 HydrophobicContact CD1-CD1 3.88Å; L47-L83 HydrophobicContact CD1-CD2 4.22Å; L47-L83 HydrophobicContact CD1-CG 4.26Å; L47-L83 HydrophobicContact CG-CB 4.28Å; L47-L83 HydrophobicContact CG-CD2 4.42Å; I65-L83 HydrophobicContact CD1-CD1 3.32Å; I65-L83 HydrophobicContact CG1-CD1 4.28Å; L74-L83 HydrophobicContact CB-CD1 3.74Å; L74-L83 HydrophobicContact CB-CG 4.48Å; L74-L83 HydrophobicContact CD1-CD1 3.86Å; L74-L83 HydrophobicContact CD1-CD2 3.97Å; L74-L83 HydrophobicContact CD1-CG 4.03Å; L74-L83 HydrophobicContact CG-CD1 4.3Å; L83-F105 HydrophobicContact CD2-CZ 4.04Å |
| 84 | L | 88.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 152.3 | 178.2 | -55 | -173.8 | 0 | 0 | 0 | 110.8 | T42 F43 L74 Q75 D77 D82 | T42-L84 CarbonylContact O-C 3.59Å; T42-L84 WeakPolarHBondContact O-CA 3.45Å; F43-L84 HydrophobicContact CB-CD2 4.21Å; L74-L84 WeakPolarHBondContact CA-O 3.5Å; Q75-L84 HydrophobicContact CG-CB 4.08Å; Q75-L84 PolarHBondContact N-O 3.41Å; Q75-L84 PolarHBondContact O-N 2.82Å; D77-L84 HydrophobicContact CB-CD1 3.82Å; D77-L84 HydrophobicContact CB-CG 4.11Å; D82-L84 HydrophobicContact CB-CD2 4.29Å; D82-L84 PolarHBondContact O-N 2.89Å |
| 85 | L | 89 | Confident | 85.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.3 | 168.8 | -158.7 | 66.8 | 0 | 0 | 0 | 110.2 | T38 G41 T42 V44 L74 Q75 E87 L89 | T38-L85 HydrophobicContact CG2-CD2 3.96Å; T38-L85 WeakPolarHBondContact O-CD2 3.32Å; G41-L85 WeakPolarHBondContact CA-O 3.31Å; G41-L85 PolarHBondContact N-O 2.97Å; T42-L85 PolarHBondContact O-N 2.93Å; V44-L85 HydrophobicContact CG2-CB 4.49Å; L74-L85 HydrophobicContact CD2-CD1 3.87Å; Q75-L85 PolarHBondContact NE2-O 2.89Å; L85-E87 WeakPolarHBondContact CD2-O 3.14Å; L85-E87 VanDerWaalsContact CG-O 3.27Å; L85-E87 WeakPolarHBondContact CG-O 3.22Å; L85-L89 HydrophobicContact CD1-CD1 3.8Å; L85-L89 HydrophobicContact CD1-CG 4.05Å |
| 86 | N | 87.5 | Confident | 85 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | trans | -99.1 | -36.9 | 179.5 | -174.1 | 46.4 | 0 | 0 | 0 | 112.5 | S40 Q72 H73 Q75 | S40-N86 VanDerWaalsContact OG-C 3.31Å; S40-N86 PolarHBondContact OG-O 2.89Å; Q72-N86 WeakPolarHBondContact O-CB 3.26Å; Q72-N86 PolarHBondContact O-ND2 2.96Å; H73-N86 PolarHBondContact O-N 3.27Å; Q75-N86 HydrophobicContact CB-CB 4.22Å; Q75-N86 HydrophobicContact CG-CB 4.09Å | ||
| 87 | E | 87 | Confident | 84.6 | Confident | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -137.8 | 154.5 | 179.1 | 64.5 | -169.2 | 179.8 | 0 | 0 | 109.8 | H73 L85 L89 | H73-E87 IonicContact CE1-OE1 2.85Å; H73-E87 PolarHBondContact CE1-OE1 3.13Å; H73-E87 VanDerWaalsContact CE1-OE1 3.29Å; H73-E87 IonicContact CG-OE1 3.15Å; H73-E87 IonicContact ND1-OE1 3.75Å; H73-E87 PolarHBondContact ND1-OE1 2.57Å; L85-E87 WeakPolarHBondContact CD2-O 3.14Å; L85-E87 VanDerWaalsContact CG-O 3.27Å; L85-E87 WeakPolarHBondContact CG-O 3.22Å; E87-L89 HydrophobicContact CG-CD2 4.03Å; E87-L89 PolarHBondContact O-N 2.7Å |
| 88 | K | 88.3 | Confident | 84.5 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -62 | 130.9 | 171.4 | -158.3 | -177.3 | -161.5 | -156.1 | 0 | 108.1 | E37 | E37-K88 VanDerWaalsContact C-CE 3.49Å; E37-K88 VanDerWaalsContact CD-CE 3.44Å; E37-K88 WeakPolarHBondContact O-CE 3.43Å; E37-K88 WeakPolarHBondContact OE1-CD 3.27Å; E37-K88 WeakPolarHBondContact OE1-CE 3.15Å; E37-K88 WeakPolarHBondContact OE1-CG 3.4Å; E37-K88 IonicContact OE1-NZ 3.08Å; E37-K88 PolarHBondContact OE1-NZ 2.76Å; E37-K88 VanDerWaalsContact OE1-NZ 3.13Å; E37-K88 WeakPolarHBondContact OE2-CE 3.31Å; E37-K88 IonicContact OE2-NZ 3.96Å; E37-K88 PolarHBondContact OE2-NZ 2.86Å |
| 89 | L | 88.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -101.6 | 123.3 | 179.6 | -58.4 | -180 | 0 | 0 | 0 | 109 | V34 E36 E37 H73 L85 E87 L94 L103 L120 V122 | V34-L89 HydrophobicContact CG1-CD1 4.07Å; E36-L89 WeakPolarHBondContact CA-O 3.28Å; E36-L89 WeakPolarHBondContact CB-O 3.41Å; E37-L89 PolarHBondContact N-O 2.72Å; H73-L89 HydrophobicContact CB-CD2 3.94Å; L85-L89 HydrophobicContact CD1-CD1 3.8Å; L85-L89 HydrophobicContact CD1-CG 4.05Å; E87-L89 HydrophobicContact CG-CD2 4.03Å; E87-L89 PolarHBondContact O-N 2.7Å; L89-L94 HydrophobicContact CB-CD1 4.23Å; L89-L94 HydrophobicContact CD2-CD1 4.09Å; L89-L103 HydrophobicContact CD1-CD1 4.44Å; L89-L120 HydrophobicContact CD1-CD2 3.73Å; L89-V122 HydrophobicContact CD1-CG2 3.98Å |
| 90 | D | 88.6 | Confident | 84.8 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -99 | 118 | 169.4 | 169.1 | -34.1 | 0 | 0 | 0 | 106.5 | E92 E93 L94 | D90-E92 WeakPolarHBondContact OD1-CA 2.99Å; D90-E92 PolarHBondContact OD1-N 2.84Å; D90-E93 HydrophobicContact CB-CB 4.42Å; D90-E93 PolarHBondContact OD1-N 3.21Å; D90-L94 WeakPolarHBondContact O-CB 3.48Å; D90-L94 VanDerWaalsContact O-CD1 3.27Å; D90-L94 WeakPolarHBondContact O-CD1 3.47Å; D90-L94 WeakPolarHBondContact O-CG 3.17Å; D90-L94 PolarHBondContact O-N 2.96Å |
| 91 | R | 90.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -78 | -29.7 | -175.4 | -175.5 | -153.1 | 64.8 | 80.9 | -2.5 | 110.8 | E36 L94 C95 G96 C101 V122 D124 L159 T161 | E36-R91 HydrophobicContact CB-CB 4.25Å; E36-R91 IonicContact OE1-NE 2.66Å; E36-R91 WeakPolarHBondContact OE2-CA 3.4Å; E36-R91 WeakPolarHBondContact OE2-CB 3.26Å; E36-R91 PolarHBondContact OE2-N 3.45Å; R91-L94 PolarHBondContact O-N 3.44Å; R91-C95 WeakPolarHBondContact O-CA 3.39Å; R91-C95 WeakPolarHBondContact O-CB 3.06Å; R91-C95 PolarHBondContact O-N 3.05Å; R91-G96 PolarHBondContact NH1-O 3.22Å; R91-G96 PolarHBondContact O-N 3.41Å; R91-C101 HydrophobicContact CG-CB 3.77Å; R91-V122 HydrophobicContact CB-CG1 3.99Å; R91-V122 HydrophobicContact CG-CG1 4.19Å; R91-D124 IonicContact CZ-OD1 3.28Å; R91-D124 IonicContact NE-OD1 3.13Å; R91-D124 PolarHBondContact NE-OD1 2.82Å; R91-D124 IonicContact NH1-OD1 3.61Å; R91-D124 IonicContact NH2-OD1 2.57Å; R91-D124 PolarHBondContact NH2-OD1 3.04Å; R91-L159 PolarHBondContact NH2-O 2.84Å; R91-T161 PolarHBondContact NH1-OG1 3.48Å |
| 92 | E | 88.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | -179.3 | -64.9 | 60.9 | -127.1 | 0 | 0 | 110.6 | E36 D90 G96 H128 L159 | E36-E92 VanDerWaalsContact OE2-OE2 3.08Å; D90-E92 WeakPolarHBondContact OD1-CA 2.99Å; D90-E92 PolarHBondContact OD1-N 2.84Å; E92-G96 WeakPolarHBondContact O-CA 3.14Å; E92-G96 PolarHBondContact O-N 2.9Å; E92-H128 IonicContact OE2-CE1 3.82Å; E92-L159 HydrophobicContact CG-CB 3.86Å |
| 93 | E | 86.8 | Confident | 85.8 | Confident | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.631 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.5 | -45.1 | 171.9 | -169 | -166.9 | 138.2 | 0 | 0 | 110.7 | R71 D90 | R71-E93 IonicContact NH1-OE1 4Å; R71-E93 PolarHBondContact NH1-OE1 3.48Å; D90-E93 HydrophobicContact CB-CB 4.42Å; D90-E93 PolarHBondContact OD1-N 3.21Å |
| 94 | L | 85.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77 | -35.9 | -171 | -70.6 | 173.3 | 0 | 0 | 0 | 114.1 | L89 D90 R91 L103 | L89-L94 HydrophobicContact CB-CD1 4.23Å; L89-L94 HydrophobicContact CD2-CD1 4.09Å; D90-L94 WeakPolarHBondContact O-CB 3.48Å; D90-L94 VanDerWaalsContact O-CD1 3.27Å; D90-L94 WeakPolarHBondContact O-CD1 3.47Å; D90-L94 WeakPolarHBondContact O-CG 3.17Å; D90-L94 PolarHBondContact O-N 2.96Å; R91-L94 PolarHBondContact O-N 3.44Å; L94-L103 HydrophobicContact CD1-CD1 4.12Å |
| 95 | C | 84.7 | Confident | 85.8 | Confident | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -130.5 | -15.8 | -169.7 | -74.1 | 0 | 0 | 0 | 0 | 113.9 | R91 S97 T98 C101 | R91-C95 WeakPolarHBondContact O-CA 3.39Å; R91-C95 WeakPolarHBondContact O-CB 3.06Å; R91-C95 PolarHBondContact O-N 3.05Å; C95-S97 PolarHBondContact O-N 3.06Å; C95-T98 WeakPolarHBondContact O-CB 3.34Å; C95-T98 PolarHBondContact O-N 2.79Å; C95-T98 PolarHBondContact O-OG1 2.04Å; C95-C101 HydrophobicContact CB-CB 3.61Å; C95-C101 WeakPolarHBondContact CB-SG 3.41Å; C95-C101 WeakPolarHBondContact SG-CA 3.5Å; C95-C101 WeakPolarHBondContact SG-CB 3.48Å; C95-C101 CovalentContact SG-SG 2.04Å; C95-C101 PolarHBondContact SG-SG 3.07Å |
| 96 | G | 83.4 | Confident | 85.6 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -133.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R91 E92 T98 | R91-G96 PolarHBondContact NH1-O 3.22Å; R91-G96 PolarHBondContact O-N 3.41Å; E92-G96 WeakPolarHBondContact O-CA 3.14Å; E92-G96 PolarHBondContact O-N 2.9Å; G96-T98 PolarHBondContact O-N 3.4Å; G96-T98 VanDerWaalsContact O-N 3.12Å |
| 97 | S | 76.1 | Confident | 85.5 | Confident | 107 Ų | 107 | 54 Ų | 54 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 21.4 | 176.7 | 72.5 | 0 | 0 | 0 | 0 | 114.5 | C95 | C95-S97 PolarHBondContact O-N 3.06Š|
| 98 | T | 80.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | trans | -95 | 112.3 | -175 | -45.4 | 0 | 0 | 0 | 0 | 111.3 | C95 G96 | C95-T98 WeakPolarHBondContact O-CB 3.34Å; C95-T98 PolarHBondContact O-N 2.79Å; C95-T98 PolarHBondContact O-OG1 2.04Å; G96-T98 PolarHBondContact O-N 3.4Å; G96-T98 VanDerWaalsContact O-N 3.12Å | ||
| 99 | E | 77.1 | Confident | 85.1 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -117.6 | 136.2 | 179.6 | -161.3 | -174.2 | 166.9 | 0 | 0 | 111.7 | G162 | E99-G162 WeakPolarHBondContact OE2-CA 3.46Å; E99-G162 PolarHBondContact OE2-N 3.25Å |
| 100 | P | 83.3 | Confident | 84.8 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 47% | 0.474 | 29% | 0.286 | S | S | . | . | S | Bend | cis | -75.5 | 139.8 | -4.9 | 32 | -35 | 0 | 0 | 0 | 112.6 | V102 | P100-V102 HydrophobicContact CB-CG2 4.02Å; P100-V102 HydrophobicContact CG-CG2 4.02Å; P100-V102 PolarHBondContact O-N 3.27Å |
| 101 | C | 88.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | trans | -71.9 | 111.1 | 170.8 | -174.4 | 0 | 0 | 0 | 0 | 110 | R91 C95 R121 V122 | R91-C101 HydrophobicContact CG-CB 3.77Å; C95-C101 HydrophobicContact CB-CB 3.61Å; C95-C101 WeakPolarHBondContact CB-SG 3.41Å; C95-C101 WeakPolarHBondContact SG-CA 3.5Å; C95-C101 WeakPolarHBondContact SG-CB 3.48Å; C95-C101 CovalentContact SG-SG 2.04Å; C95-C101 PolarHBondContact SG-SG 3.07Å; C101-R121 WeakPolarHBondContact O-CA 3.2Å; C101-V122 HydrophobicContact CB-CB 4.32Å; C101-V122 PolarHBondContact O-N 3.41Å | ||
| 102 | V | 87.8 | Confident | 83.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 116.3 | -174.5 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | P100 P104 R121 | P100-V102 HydrophobicContact CB-CG2 4.02Å; P100-V102 HydrophobicContact CG-CG2 4.02Å; P100-V102 PolarHBondContact O-N 3.27Å; V102-P104 VanDerWaalsContact O-CD 3.31Å; V102-P104 WeakPolarHBondContact O-CD 3.39Å; V102-R121 HydrophobicContact CG2-CB 4.45Å; V102-R121 HydrophobicContact CG2-CG 4.38Å |
| 103 | L | 86.9 | Confident | 83 | Confident | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 105.1 | 177.9 | -54.3 | 175.6 | 0 | 0 | 0 | 109.3 | F67 L89 L94 L120 V122 | F67-L103 HydrophobicContact CE1-CB 4.1Å; L89-L103 HydrophobicContact CD1-CD1 4.44Å; L94-L103 HydrophobicContact CD1-CD1 4.12Å; L103-L120 HydrophobicContact CB-CB 4.37Å; L103-L120 HydrophobicContact CD1-CD2 4.46Å; L103-L120 PolarHBondContact N-O 2.76Å; L103-L120 PolarHBondContact O-N 3.38Å; L103-V122 HydrophobicContact CD1-CG2 3.82Å; L103-V122 HydrophobicContact CG-CG2 4.27Å |
| 104 | P | 86.7 | Confident | 82.8 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136 | 178.9 | 30.4 | -34.5 | 0 | 0 | 0 | 111.3 | V102 | V102-P104 VanDerWaalsContact O-CD 3.31Å; V102-P104 WeakPolarHBondContact O-CD 3.39Å |
| 105 | F | 87.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 166.6 | 176.9 | 73.6 | -89.7 | 0 | 0 | 0 | 112.3 | Y32 I65 V66 F67 L74 L83 V107 A118 L120 | Y32-F105 HydrophobicContact CD2-CE1 4.09Å; Y32-F105 AromaticContact CD2-CZ 3.69Å; Y32-F105 HydrophobicContact CD2-CZ 3.69Å; Y32-F105 AromaticContact CE2-CZ 3.88Å; Y32-F105 HydrophobicContact CE2-CZ 3.88Å; I65-F105 HydrophobicContact CG2-CD2 3.79Å; I65-F105 HydrophobicContact CG2-CE2 4.27Å; V66-F105 WeakPolarHBondContact O-CA 3.18Å; F67-F105 HydrophobicContact CD1-CB 3.67Å; F67-F105 HydrophobicContact CD2-CB 4.06Å; F67-F105 HydrophobicContact CE1-CB 3.57Å; F67-F105 AromaticContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CD1 3.98Å; F67-F105 HydrophobicContact CE1-CG 4.06Å; F67-F105 HydrophobicContact CE2-CB 3.96Å; F67-F105 HydrophobicContact CE2-CG 4.23Å; F67-F105 HydrophobicContact CG-CB 3.91Å; F67-F105 HydrophobicContact CZ-CB 3.71Å; F67-F105 AromaticContact CZ-CD1 3.84Å; F67-F105 HydrophobicContact CZ-CD1 3.84Å; F67-F105 AromaticContact CZ-CG 3.84Å; F67-F105 HydrophobicContact CZ-CG 3.84Å; L74-F105 HydrophobicContact CD1-CD1 4.29Å; L74-F105 HydrophobicContact CD1-CE1 3.76Å; L74-F105 HydrophobicContact CD1-CE2 4.28Å; L74-F105 HydrophobicContact CD1-CZ 3.74Å; L83-F105 HydrophobicContact CD2-CZ 4.04Å; F105-V107 HydrophobicContact CD2-CG2 4.25Å; F105-V107 HydrophobicContact CE2-CG2 3.78Å; F105-A118 HydrophobicContact CD1-CB 4.19Å; F105-A118 HydrophobicContact CD2-CB 4.1Å; F105-A118 HydrophobicContact CE1-CB 3.73Å; F105-A118 HydrophobicContact CE2-CB 3.67Å; F105-A118 HydrophobicContact CG-CB 4.36Å; F105-A118 HydrophobicContact CZ-CB 3.47Å; F105-A118 VanDerWaalsContact CZ-CB 3.47Å; F105-A118 PolarHBondContact N-O 3.29Å; F105-A118 PolarHBondContact O-N 3.06Å; F105-L120 HydrophobicContact CD1-CB 4.26Å; F105-L120 HydrophobicContact CE1-CB 4.05Å |
| 106 | Q | 85.7 | Confident | 82.6 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.8 | 178.4 | -65.9 | -177.1 | -8.2 | 0 | 0 | 110.6 | V66 F116 | V66-Q106 PolarHBondContact N-O 3.41Å; V66-Q106 PolarHBondContact O-N 3.49Å; Q106-F116 WeakPolarHBondContact CA-O 3.13Å |
| 107 | V | 84.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.3 | 168.6 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | L47 L51 R64 F105 F115 F116 | L47-V107 HydrophobicContact CD1-CG2 4.37Å; L47-V107 HydrophobicContact CD2-CG2 3.94Å; L51-V107 HydrophobicContact CD1-CG1 4.36Å; R64-V107 WeakPolarHBondContact O-CA 3.42Å; F105-V107 HydrophobicContact CD2-CG2 4.25Å; F105-V107 HydrophobicContact CE2-CG2 3.78Å; V107-F115 WeakPolarHBondContact O-CA 3.05Å; V107-F116 HydrophobicContact CB-CB 4.38Å; V107-F116 PolarHBondContact N-O 3.29Å; V107-F116 PolarHBondContact O-N 3.21Å |
| 108 | L | 84 | Confident | 83.1 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.7 | 178.6 | 174.1 | 68.4 | 0 | 0 | 0 | 109.5 | A63 R64 L113 F115 | A63-L108 CarbonylContact C-O 3.57Å; A63-L108 WeakPolarHBondContact CA-O 3.05Å; R64-L108 PolarHBondContact N-O 2.92Å; R64-L108 PolarHBondContact O-N 3.25Å; L108-L113 HydrophobicContact CD1-CD2 4.29Å; L108-L113 HydrophobicContact CD1-CG 4.2Å; L108-F115 HydrophobicContact CD1-CD1 3.81Å; L108-F115 HydrophobicContact CD1-CE1 3.57Å; L108-F115 HydrophobicContact CD1-CZ 4.15Å |
| 109 | L | 82.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.3 | 163.1 | -54.1 | -179.8 | 0 | 0 | 0 | 107.7 | L53 L58 R61 A63 L113 Q114 F116 | L53-L109 HydrophobicContact CD1-CD1 4.03Å; L58-L109 HydrophobicContact CD2-CD2 3.73Å; R61-L109 HydrophobicContact CB-CB 4.38Å; A63-L109 HydrophobicContact CB-CD2 3.61Å; L109-L113 CarbonylContact O-C 3.58Å; L109-L113 VanDerWaalsContact O-CA 3.24Å; L109-L113 WeakPolarHBondContact O-CA 3.48Å; L109-Q114 HydrophobicContact CB-CB 4.39Å; L109-Q114 PolarHBondContact N-O 2.99Å; L109-Q114 PolarHBondContact O-N 2.88Å; L109-F116 HydrophobicContact CD1-CE2 3.86Å; L109-F116 HydrophobicContact CG-CE2 4.47Å |
| 110 | E | 81.5 | Confident | 83.9 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -37 | -173.2 | -66.6 | 178.7 | 178.6 | 0 | 0 | 113.2 | R61 R64 P112 L113 | R61-E110 PolarHBondContact O-N 2.86Å; R64-E110 IonicContact CZ-OE1 2.94Å; R64-E110 IonicContact NE-OE1 3.85Å; R64-E110 PolarHBondContact NE-OE1 2.7Å; R64-E110 IonicContact NH2-OE1 2.64Å; R64-E110 PolarHBondContact NH2-OE1 2.82Å; R64-E110 IonicContact NH2-OE2 3.05Å; E110-P112 CarbonylContact O-C 3.37Å; E110-L113 WeakPolarHBondContact O-CA 3.44Å; E110-L113 PolarHBondContact O-N 3.15Å; E110-L113 VanDerWaalsContact O-N 3.14Å |
| 111 | N | 76.5 | Confident | 84.2 | Confident | 111 Ų | 111 | 55 Ų | 55 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 105.6 | -169.7 | -68.9 | -56 | 0 | 0 | 0 | 112.9 | R61 | R61-N111 WeakPolarHBondContact CD-O 2.9Å; R61-N111 WeakPolarHBondContact CG-O 3.18Å; R61-N111 PolarHBondContact NE-O 2.87Å |
| 112 | P | 76.1 | Confident | 84.2 | Confident | 91 Ų | 91 | 55 Ų | 55 | 59% | 0.591 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -63.3 | 159 | -21.2 | 31.6 | -36.8 | 0 | 0 | 0 | 110.9 | R61 E110 Q114 | R61-P112 PolarHBondContact NH2-O 2.89Å; E110-P112 CarbonylContact O-C 3.37Å; P112-Q114 PolarHBondContact O-N 3.21Å |
| 113 | L | 79.1 | Confident | 84.2 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 57% | 0.571 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 119.1 | -171.9 | -155.5 | 129.1 | 0 | 0 | 0 | 111.2 | L108 L109 E110 F115 | L108-L113 HydrophobicContact CD1-CD2 4.29Å; L108-L113 HydrophobicContact CD1-CG 4.2Å; L109-L113 CarbonylContact O-C 3.58Å; L109-L113 VanDerWaalsContact O-CA 3.24Å; L109-L113 WeakPolarHBondContact O-CA 3.48Å; E110-L113 WeakPolarHBondContact O-CA 3.44Å; E110-L113 PolarHBondContact O-N 3.15Å; E110-L113 VanDerWaalsContact O-N 3.14Å; L113-F115 HydrophobicContact CD2-CD2 4.39Å; L113-F115 HydrophobicContact CD2-CE1 4.39Å; L113-F115 HydrophobicContact CD2-CE2 3.44Å; L113-F115 VanDerWaalsContact CD2-CE2 3.44Å; L113-F115 HydrophobicContact CD2-CZ 3.44Å; L113-F115 VanDerWaalsContact CD2-CZ 3.44Å |
| 114 | Q | 81.9 | Confident | 84.3 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147.4 | -177.4 | -76.4 | -178.5 | -28.7 | 0 | 0 | 110.7 | L109 P112 F116 | L109-Q114 HydrophobicContact CB-CB 4.39Å; L109-Q114 PolarHBondContact N-O 2.99Å; L109-Q114 PolarHBondContact O-N 2.88Å; P112-Q114 PolarHBondContact O-N 3.21Å; Q114-F116 HydrophobicContact CB-CE2 4.4Å |
| 115 | F | 81.9 | Confident | 84.4 | Confident | 125 Ų | 125 | 58 Ų | 58 | 55% | 0.548 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.7 | 178 | -52.4 | -95.2 | 0 | 0 | 0 | 109.4 | V107 L108 L113 | V107-F115 WeakPolarHBondContact O-CA 3.05Å; L108-F115 HydrophobicContact CD1-CD1 3.81Å; L108-F115 HydrophobicContact CD1-CE1 3.57Å; L108-F115 HydrophobicContact CD1-CZ 4.15Å; L113-F115 HydrophobicContact CD2-CD2 4.39Å; L113-F115 HydrophobicContact CD2-CE1 4.39Å; L113-F115 HydrophobicContact CD2-CE2 3.44Å; L113-F115 VanDerWaalsContact CD2-CE2 3.44Å; L113-F115 HydrophobicContact CD2-CZ 3.44Å; L113-F115 VanDerWaalsContact CD2-CZ 3.44Å |
| 116 | F | 83.3 | Confident | 84.4 | Confident | 61 Ų | 61 | 58.8 Ų | 58.8 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.1 | 168.1 | -62.9 | -86.6 | 0 | 0 | 0 | 109.3 | L51 Q106 V107 L109 Q114 | L51-F116 HydrophobicContact CD1-CD2 4.07Å; L51-F116 HydrophobicContact CD1-CE2 4.3Å; L51-F116 HydrophobicContact CD2-CB 3.89Å; L51-F116 HydrophobicContact CD2-CD1 3.52Å; L51-F116 HydrophobicContact CD2-CD2 3.75Å; L51-F116 HydrophobicContact CD2-CE1 3.91Å; L51-F116 HydrophobicContact CD2-CE2 4.12Å; L51-F116 HydrophobicContact CD2-CG 3.43Å; L51-F116 VanDerWaalsContact CD2-CG 3.43Å; L51-F116 HydrophobicContact CD2-CZ 4.19Å; Q106-F116 WeakPolarHBondContact CA-O 3.13Å; V107-F116 HydrophobicContact CB-CB 4.38Å; V107-F116 PolarHBondContact N-O 3.29Å; V107-F116 PolarHBondContact O-N 3.21Å; L109-F116 HydrophobicContact CD1-CE2 3.86Å; L109-F116 HydrophobicContact CG-CE2 4.47Å; Q114-F116 HydrophobicContact CB-CE2 4.4Å |
| 117 | Q | 84.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124 | 173.9 | -66.3 | -173.1 | 0.2 | 0 | 0 | 109.3 | I30 | I30-Q117 PolarHBondContact N-O 3.18Å |
| 118 | A | 85 | Confident | 84.7 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 163.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | I30 Y32 F105 | I30-A118 HydrophobicContact CB-CB 4.42Å; I30-A118 CarbonylContact O-C 3.49Å; I30-A118 WeakPolarHBondContact O-CA 3.14Å; I30-A118 WeakPolarHBondContact O-CB 3.44Å; Y32-A118 HydrophobicContact CD2-CB 4.44Å; Y32-A118 HydrophobicContact CE2-CB 4.14Å; F105-A118 HydrophobicContact CD1-CB 4.19Å; F105-A118 HydrophobicContact CD2-CB 4.1Å; F105-A118 HydrophobicContact CE1-CB 3.73Å; F105-A118 HydrophobicContact CE2-CB 3.67Å; F105-A118 HydrophobicContact CG-CB 4.36Å; F105-A118 HydrophobicContact CZ-CB 3.47Å; F105-A118 VanDerWaalsContact CZ-CB 3.47Å; F105-A118 PolarHBondContact N-O 3.29Å; F105-A118 PolarHBondContact O-N 3.06Å |
| 119 | S | 87.6 | Confident | 85 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.4 | 175 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | I30 Y32 | I30-S119 PolarHBondContact O-N 2.89Å; Y32-S119 PolarHBondContact N-O 2.93Å |
| 120 | L | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.3 | 171.2 | -176.7 | 67.8 | 0 | 0 | 0 | 107.7 | V34 V44 L74 L89 L103 F105 V122 | V34-L120 HydrophobicContact CB-CD1 4.18Å; V34-L120 HydrophobicContact CG1-CD1 3.9Å; V34-L120 HydrophobicContact CG1-CD2 4.14Å; V34-L120 HydrophobicContact CG1-CG 4.17Å; V44-L120 HydrophobicContact CG1-CD1 4.07Å; L74-L120 HydrophobicContact CD1-CB 4.5Å; L74-L120 HydrophobicContact CD1-CD1 4.4Å; L74-L120 HydrophobicContact CD1-CD2 4.11Å; L74-L120 HydrophobicContact CD2-CD2 3.99Å; L74-L120 HydrophobicContact CG-CD2 4.1Å; L89-L120 HydrophobicContact CD1-CD2 3.73Å; L103-L120 HydrophobicContact CB-CB 4.37Å; L103-L120 HydrophobicContact CD1-CD2 4.46Å; L103-L120 PolarHBondContact N-O 2.76Å; L103-L120 PolarHBondContact O-N 3.38Å; F105-L120 HydrophobicContact CD1-CB 4.26Å; F105-L120 HydrophobicContact CE1-CB 4.05Å; L120-V122 PolarHBondContact O-N 3.29Å |
| 121 | R | 89 | Confident | 86.1 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 109.8 | 169.7 | -178.3 | 176 | 178.9 | 174.4 | 0.8 | 108.6 | Q31 Y32 S33 V34 C101 V102 | Q31-R121 HydrophobicContact CG-CB 4.49Å; Y32-R121 PolarHBondContact O-N 3.12Å; S33-R121 WeakPolarHBondContact CA-O 3.21Å; S33-R121 WeakPolarHBondContact CB-O 3.37Å; V34-R121 PolarHBondContact N-O 3.5Å; C101-R121 WeakPolarHBondContact O-CA 3.2Å; V102-R121 HydrophobicContact CG2-CB 4.45Å; V102-R121 HydrophobicContact CG2-CG 4.38Å |
| 122 | V | 88.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 128.8 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | E36 L89 R91 C101 L103 L120 | E36-V122 HydrophobicContact CB-CG1 3.7Å; L89-V122 HydrophobicContact CD1-CG2 3.98Å; R91-V122 HydrophobicContact CB-CG1 3.99Å; R91-V122 HydrophobicContact CG-CG1 4.19Å; C101-V122 HydrophobicContact CB-CB 4.32Å; C101-V122 PolarHBondContact O-N 3.41Å; L103-V122 HydrophobicContact CD1-CG2 3.82Å; L103-V122 HydrophobicContact CG-CG2 4.27Å; L120-V122 PolarHBondContact O-N 3.29Å |
| 123 | R | 87.3 | Confident | 87.5 | Confident | 132 Ų | 132 | 59.1 Ų | 59.1 | 50% | 0.498 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.5 | 177.4 | -68.3 | -172.6 | -166.9 | -161.3 | 7 | 109.8 | S33 V34 L35 E36 | S33-R123 PolarHBondContact OG-NE 3.27Å; S33-R123 PolarHBondContact OG-NH2 3.19Å; V34-R123 PolarHBondContact O-N 2.89Å; L35-R123 HydrophobicContact CD2-CB 3.91Å; E36-R123 PolarHBondContact N-O 3.24Å |
| 124 | D | 88.4 | Confident | 88 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | trans | -60 | 134.9 | -179.4 | -167.9 | 113.8 | 0 | 0 | 0 | 112.8 | E36 R91 T161 N164 | E36-D124 WeakPolarHBondContact OE1-CA 3.24Å; R91-D124 IonicContact CZ-OD1 3.28Å; R91-D124 IonicContact NE-OD1 3.13Å; R91-D124 PolarHBondContact NE-OD1 2.82Å; R91-D124 IonicContact NH1-OD1 3.61Å; R91-D124 IonicContact NH2-OD1 2.57Å; R91-D124 PolarHBondContact NH2-OD1 3.04Å; D124-T161 WeakPolarHBondContact OD1-CA 3.26Å; D124-T161 WeakPolarHBondContact OD1-CB 3.29Å; D124-T161 PolarHBondContact OD1-N 3.05Å; D124-T161 PolarHBondContact OD1-OG1 3.21Å; D124-N164 PolarHBondContact O-ND2 3.33Å; D124-N164 VanDerWaalsContact OD2-CB 3.24Å; D124-N164 WeakPolarHBondContact OD2-CB 3.28Å; D124-N164 PolarHBondContact OD2-ND2 2.84Å | ||
| 125 | I | 88.6 | Confident | 88.4 | Confident | 57 Ų | 57 | 62 Ų | 62 | 29% | 0.292 | 29% | 0.294 | S | S | . | . | trans | -112.9 | 149.4 | 168.1 | -68.2 | -176.1 | 0 | 0 | 0 | 108.6 | L35 E36 E37 D127 | L35-I125 HydrophobicContact CB-CD1 3.94Å; L35-I125 HydrophobicContact CB-CG1 4.19Å; L35-I125 HydrophobicContact CD1-CD1 4.45Å; E36-I125 HydrophobicContact CG-CB 3.93Å; E36-I125 HydrophobicContact CG-CD1 4.3Å; E36-I125 HydrophobicContact CG-CG1 3.96Å; E36-I125 WeakPolarHBondContact O-CD1 3.22Å; E36-I125 PolarHBondContact OE1-N 2.85Å; E37-I125 HydrophobicContact CB-CD1 4.45Å; I125-D127 HydrophobicContact CG2-CB 4.12Å; I125-D127 PolarHBondContact O-N 3.43Å | ||
| 126 | N | 88.8 | Confident | 88.9 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -76.1 | 62.5 | 174.7 | -160.4 | 61.8 | 0 | 0 | 0 | 112.3 | D160 N164 D215 P219 R221 | N126-D160 VanDerWaalsContact CA-OD2 3.26Å; N126-D160 WeakPolarHBondContact CA-OD2 3.16Å; N126-D160 PolarHBondContact OD1-OD2 3.33Å; N126-N164 HydrophobicContact CB-CB 4.03Å; N126-N164 PolarHBondContact N-ND2 2.83Å; N126-N164 WeakPolarHBondContact OD1-CB 3.29Å; N126-N164 PolarHBondContact OD1-O 2.96Å; N126-D215 PolarHBondContact ND2-OD2 3.04Å; N126-D215 PolarHBondContact OD1-OD2 3.42Å; N126-P219 PolarHBondContact ND2-O 3.1Å; N126-R221 WeakPolarHBondContact ND2-CD 3.16Å; N126-R221 PolarHBondContact O-NH1 3.01Å |
| 127 | D | 87.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | trans | -101.8 | -11.8 | -172.6 | 90.9 | -37.9 | 0 | 0 | 0 | 114.1 | I125 D160 R221 | I125-D127 HydrophobicContact CG2-CB 4.12Å; I125-D127 PolarHBondContact O-N 3.43Å; D127-D160 PolarHBondContact N-OD2 3.19Å; D127-D160 VanDerWaalsContact N-OD2 3.17Å; D127-R221 VanDerWaalsContact CA-NH1 3.32Å; D127-R221 PolarHBondContact O-NH1 2.83Å | ||
| 128 | H | 89.1 | Confident | 89.7 | Confident | 57 Ų | 57 | 59.1 Ų | 59.1 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -97 | -178.5 | 160.3 | -61.4 | 76.4 | 0 | 0 | 0 | 111.3 | E92 L159 D160 R221 | E92-H128 IonicContact OE2-CE1 3.82Å; H128-L159 HydrophobicContact CB-CB 4.26Å; H128-D160 VanDerWaalsContact CB-OD1 3.22Å; H128-D160 WeakPolarHBondContact CB-OD1 3.42Å; H128-D160 IonicContact CG-OD1 2.68Å; H128-D160 PolarHBondContact N-OD1 3.18Å; H128-D160 PolarHBondContact N-OD2 2.74Å; H128-D160 IonicContact ND1-OD1 3.29Å; H128-D160 PolarHBondContact ND1-OD1 3.07Å; H128-D160 VanDerWaalsContact ND1-OD1 3.15Å; H128-R221 VanDerWaalsContact O-CD 3.29Å; H128-R221 WeakPolarHBondContact O-CD 3.24Å; H128-R221 VanDerWaalsContact O-CZ 3.23Å; H128-R221 PolarHBondContact O-NE 3.02Å; H128-R221 PolarHBondContact O-NH1 2.92Å |
| 129 | A | 90.1 | Very high | 90.2 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | trans | -147.5 | 150.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | E131 R221 | A129-E131 PolarHBondContact O-N 3.5Å; A129-R221 HydrophobicContact CB-CB 3.87Å | ||
| 130 | P | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | trans | -54.9 | 125.9 | 177.2 | -26 | 32.1 | 0 | 0 | 0 | 112.1 | A156 H157 D158 L166 A213 D215 G223 | P130-A156 HydrophobicContact CB-CB 4.1Å; P130-H157 CarbonylContact C-O 3.56Å; P130-H157 WeakPolarHBondContact CA-O 3.5Å; P130-D158 WeakPolarHBondContact CG-OD2 3.43Å; P130-L166 HydrophobicContact CB-CD1 4.31Å; P130-L166 HydrophobicContact CG-CD1 4.31Å; P130-A213 HydrophobicContact CB-CB 3.6Å; P130-A213 HydrophobicContact CG-CB 4.35Å; P130-D215 HydrophobicContact CG-CB 3.93Å; P130-G223 WeakPolarHBondContact O-CA 3.49Å; P130-G223 PolarHBondContact O-N 3.12Å | ||
| 131 | E | 92.8 | Very high | 90.8 | Very high | 146 Ų | 146 | 65.5 Ų | 65.5 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | B | Isolated β-bridge | trans | -119.4 | 136.1 | 175.9 | -173.5 | 173.3 | -160.5 | 0 | 0 | 111.3 | A129 A156 H157 | A129-E131 PolarHBondContact O-N 3.5Å; E131-A156 CarbonylContact O-C 3.53Å; E131-A156 VanDerWaalsContact O-CA 3.29Å; E131-A156 WeakPolarHBondContact O-CA 3.45Å; E131-H157 PolarHBondContact N-O 3.11Å; E131-H157 PolarHBondContact O-N 3.17Å |
| 132 | F | 93 | Very high | 91.1 | Very high | 14 Ų | 14 | 62.7 Ų | 62.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | trans | -88.5 | 135.9 | 174 | -74.9 | -77.8 | 0 | 0 | 0 | 111.6 | A134 M137 A156 Y169 L211 A213 | F132-A134 PolarHBondContact O-N 3.33Å; F132-M137 HydrophobicContact CD1-CE 3.77Å; F132-M137 HydrophobicContact CE1-CE 4.17Å; F132-M137 HydrophobicContact CG-CE 4.44Å; F132-A156 HydrophobicContact CD1-CB 3.91Å; F132-A156 HydrophobicContact CD2-CB 4.38Å; F132-A156 HydrophobicContact CE1-CB 3.76Å; F132-A156 HydrophobicContact CE2-CB 4.26Å; F132-A156 HydrophobicContact CG-CB 4.22Å; F132-A156 HydrophobicContact CZ-CB 3.95Å; F132-Y169 HydrophobicContact CE1-CD1 4.43Å; F132-Y169 AromaticContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CZ-CD1 4.04Å; F132-Y169 AromaticContact CZ-CE1 3.84Å; F132-Y169 HydrophobicContact CZ-CE1 3.84Å; F132-L211 HydrophobicContact CD1-CD2 4.37Å; F132-L211 HydrophobicContact CE1-CD2 3.44Å; F132-L211 VanDerWaalsContact CE1-CD2 3.44Å; F132-L211 HydrophobicContact CE1-CG 4.16Å; F132-L211 HydrophobicContact CE2-CD2 4.44Å; F132-L211 HydrophobicContact CE2-CG 4.41Å; F132-L211 HydrophobicContact CZ-CD2 3.49Å; F132-L211 VanDerWaalsContact CZ-CD2 3.49Å; F132-L211 HydrophobicContact CZ-CG 3.66Å; F132-A213 HydrophobicContact CE2-CB 3.76Å; F132-A213 HydrophobicContact CZ-CB 3.69Å | ||
| 133 | P | 89.7 | Confident | 91.3 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -59.8 | -13 | 177.3 | -26.1 | 34 | 0 | 0 | 0 | 116 | M155 | P133-M155 VanDerWaalsContact CD-O 3.26Å; P133-M155 WeakPolarHBondContact CD-O 3.26Å |
| 134 | A | 89.8 | Confident | 91.6 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | trans | -147.2 | 140.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F132 E136 S225 | F132-A134 PolarHBondContact O-N 3.33Å; A134-E136 VanDerWaalsContact C-N 3.31Å; A134-S225 PolarHBondContact O-OG 2.87Å | ||
| 135 | R | 89.4 | Confident | 91.8 | Very high | 221 Ų | 221 | 62.4 Ų | 62.4 | 83% | 0.834 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.5 | -34.6 | 175.9 | -65.1 | -177.5 | 179.5 | -176.3 | -1.7 | 111.9 | S225 E226 | R135-S225 CarbonylContact O-C 3.58Å; R135-S225 VanDerWaalsContact O-CA 3.25Å; R135-S225 WeakPolarHBondContact O-CA 3.48Å; R135-S225 WeakPolarHBondContact O-CB 3.09Å; R135-S225 PolarHBondContact O-OG 3.33Å; R135-E226 PolarHBondContact O-N 2.69Å |
| 136 | E | 93 | Very high | 92.1 | Very high | 120 Ų | 120 | 67.1 Ų | 67.1 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.1 | -177.4 | -66 | 173 | -130.9 | 0 | 0 | 112.2 | A134 E226 H228 | A134-E136 VanDerWaalsContact C-N 3.31Å; E136-E226 CarbonylContact C-O 3.53Å; E136-E226 VanDerWaalsContact CA-O 3.28Å; E136-E226 WeakPolarHBondContact CA-O 3.14Å; E136-E226 HydrophobicContact CG-CB 4.48Å; E136-H228 IonicContact OE2-CE1 3.89Å; E136-H228 PolarHBondContact OE2-CE1 2.89Å; E136-H228 IonicContact OE2-ND1 3.57Å; E136-H228 PolarHBondContact OE2-ND1 3.34Å |
| 137 | M | 91.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 6% | 0.064 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 119.9 | 173.3 | -50.4 | -163.9 | -154.5 | 0 | 0 | 109.7 | F132 L153 K154 L211 S225 E226 I227 H228 | F132-M137 HydrophobicContact CD1-CE 3.77Å; F132-M137 HydrophobicContact CE1-CE 4.17Å; F132-M137 HydrophobicContact CG-CE 4.44Å; M137-L153 HydrophobicContact SD-CD2 4.38Å; M137-K154 HydrophobicContact CE-CB 3.87Å; M137-K154 HydrophobicContact SD-CB 3.84Å; M137-K154 HydrophobicContact SD-CD 4.32Å; M137-K154 HydrophobicContact SD-CG 4.08Å; M137-L211 HydrophobicContact CE-CD2 3.97Å; M137-S225 WeakPolarHBondContact CE-OG 3Å; M137-E226 PolarHBondContact N-O 3.12Å; M137-I227 CarbonylContact O-C 3.59Å; M137-I227 WeakPolarHBondContact O-CA 3.24Å; M137-H228 PolarHBondContact O-N 2.8Å |
| 138 | L | 93.8 | Very high | 92.5 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.7 | 174.5 | -179 | 66.6 | 0 | 0 | 0 | 110.2 | H228 | L138-H228 CarbonylContact C-O 3.56Å; L138-H228 WeakPolarHBondContact CA-O 3.19Å; L138-H228 HydrophobicContact CD1-CB 4.16Å |
| 139 | L | 94.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.9 | 167 | -63.7 | -178.1 | 0 | 0 | 0 | 109.6 | I141 F151 L153 L193 I227 H228 I229 Q230 | L139-I141 HydrophobicContact CB-CD1 4.35Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-F151 HydrophobicContact CD1-CB 4.49Å; L139-L153 HydrophobicContact CD1-CD2 4.06Å; L139-L193 HydrophobicContact CD1-CD2 3.79Å; L139-I227 HydrophobicContact CD1-CG2 3.77Å; L139-I227 HydrophobicContact CG-CG2 4.02Å; L139-H228 PolarHBondContact N-O 3.24Å; L139-I229 HydrophobicContact CB-CG1 4.39Å; L139-I229 WeakPolarHBondContact O-CA 3.47Å; L139-Q230 PolarHBondContact O-N 3.39Å |
| 140 | K | 94.7 | Very high | 92.9 | Very high | 125 Ų | 125 | 73.9 Ų | 73.9 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.1 | 170.9 | -64.2 | -171.7 | 173.8 | -163 | 0 | 107.8 | Q230 L232 | K140-Q230 WeakPolarHBondContact CA-O 3.33Å; K140-Q230 VanDerWaalsContact CE-OE1 3.24Å; K140-Q230 HydrophobicContact CG-CB 4.37Å; K140-L232 HydrophobicContact CB-CD1 3.97Å; K140-L232 HydrophobicContact CB-CD2 4.2Å; K140-L232 HydrophobicContact CB-CG 4.09Å; K140-L232 HydrophobicContact CD-CD2 4.35Å |
| 141 | I | 95 | Very high | 93 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.015 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.3 | -171.7 | -55 | 178.5 | 0 | 0 | 0 | 107.8 | L139 T145 F151 F177 L199 I229 Q230 V231 L232 | L139-I141 HydrophobicContact CB-CD1 4.35Å; L139-I141 HydrophobicContact CB-CG1 4.29Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; I141-T145 HydrophobicContact CG2-CG2 4.49Å; I141-F151 HydrophobicContact CB-CE1 4.49Å; I141-F151 HydrophobicContact CB-CZ 4.33Å; I141-F151 HydrophobicContact CD1-CD1 4.3Å; I141-F151 HydrophobicContact CD1-CD2 4.23Å; I141-F151 HydrophobicContact CD1-CE1 3.93Å; I141-F151 HydrophobicContact CD1-CE2 3.87Å; I141-F151 HydrophobicContact CD1-CG 4.44Å; I141-F151 HydrophobicContact CD1-CZ 3.69Å; I141-F151 HydrophobicContact CG1-CD1 4.36Å; I141-F151 HydrophobicContact CG1-CE1 3.77Å; I141-F151 HydrophobicContact CG1-CZ 3.86Å; I141-F151 HydrophobicContact CG2-CE1 4.12Å; I141-F151 HydrophobicContact CG2-CE2 4.43Å; I141-F151 HydrophobicContact CG2-CZ 3.58Å; I141-F177 HydrophobicContact CD1-CE1 3.95Å; I141-F177 HydrophobicContact CD1-CZ 3.86Å; I141-L199 HydrophobicContact CB-CD1 4.03Å; I141-L199 HydrophobicContact CG2-CD1 3.59Å; I141-I229 HydrophobicContact CB-CG2 4.47Å; I141-I229 HydrophobicContact CD1-CG2 3.82Å; I141-I229 HydrophobicContact CG1-CG2 4.19Å; I141-Q230 PolarHBondContact N-O 3.04Å; I141-V231 CarbonylContact O-C 3.5Å; I141-V231 VanDerWaalsContact O-CA 3.27Å; I141-V231 WeakPolarHBondContact O-CA 3.23Å; I141-L232 PolarHBondContact O-N 3.41Å |
| 142 | S | 93.5 | Very high | 92.9 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 143.1 | 174.4 | 177 | 0 | 0 | 0 | 0 | 110.7 | I144 T145 L232 I234 | S142-I144 PolarHBondContact O-N 2.96Å; S142-T145 WeakPolarHBondContact O-CB 3.47Å; S142-T145 PolarHBondContact O-N 2.82Å; S142-T145 PolarHBondContact O-OG1 2.81Å; S142-L232 WeakPolarHBondContact CA-O 3.13Å; S142-L232 PolarHBondContact OG-O 2.63Å; S142-I234 VanDerWaalsContact OG-CG2 3.23Å; S142-I234 WeakPolarHBondContact OG-CG2 3.14Å |
| 143 | E | 93.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.2 | -172.9 | 63.7 | -141.5 | 113.1 | 0 | 0 | 114.9 | T145 L199 R201 V231 L232 D233 I234 | E143-T145 PolarHBondContact O-N 3.23Å; E143-L199 HydrophobicContact CB-CB 4.22Å; E143-R201 WeakPolarHBondContact OE2-CA 3.5Å; E143-R201 WeakPolarHBondContact OE2-CB 3.42Å; E143-R201 PolarHBondContact OE2-N 2.9Å; E143-V231 HydrophobicContact CB-CG1 3.89Å; E143-L232 PolarHBondContact N-O 3.45Å; E143-D233 WeakPolarHBondContact OE1-CA 3.32Å; E143-I234 HydrophobicContact CG-CD1 4.43Å; E143-I234 HydrophobicContact CG-CG1 3.85Å; E143-I234 PolarHBondContact OE1-N 2.75Å |
| 144 | I | 93.2 | Very high | 92.9 | Very high | 121 Ų | 121 | 75.1 Ų | 75.1 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 2.8 | 170.9 | -156 | 169.9 | 0 | 0 | 0 | 113.9 | S142 M146 I234 | S142-I144 PolarHBondContact O-N 2.96Å; I144-M146 PolarHBondContact O-N 3.25Å; I144-M146 VanDerWaalsContact O-N 3.09Å; I144-I234 HydrophobicContact CB-CD1 3.89Å; I144-I234 HydrophobicContact CD1-CD1 3.99Å; I144-I234 HydrophobicContact CG1-CD1 4.34Å; I144-I234 HydrophobicContact CG2-CG2 4.24Å |
| 145 | T | 94.2 | Very high | 93 | Very high | 29 Ų | 29 | 76.1 Ų | 76.1 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | trans | -63.8 | 113.7 | 172.5 | -60 | 0 | 0 | 0 | 0 | 110.1 | I141 S142 E143 K149 F151 L195 | I141-T145 HydrophobicContact CG2-CG2 4.49Å; S142-T145 WeakPolarHBondContact O-CB 3.47Å; S142-T145 PolarHBondContact O-N 2.82Å; S142-T145 PolarHBondContact O-OG1 2.81Å; E143-T145 PolarHBondContact O-N 3.23Å; T145-K149 HydrophobicContact CG2-CB 3.43Å; T145-K149 VanDerWaalsContact CG2-CB 3.43Å; T145-K149 HydrophobicContact CG2-CD 4.49Å; T145-K149 HydrophobicContact CG2-CG 3.55Å; T145-F151 HydrophobicContact CG2-CZ 4.05Å; T145-L195 HydrophobicContact CG2-CD2 3.89Å; T145-L195 WeakPolarHBondContact O-CD2 3.34Å | ||
| 146 | M | 93.2 | Very high | 93.1 | Very high | 157 Ų | 157 | 65.6 Ų | 65.6 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | trans | -60.5 | 140.9 | 178.5 | -67.5 | -179.1 | 172.2 | 0 | 0 | 112.6 | I144 K149 | I144-M146 PolarHBondContact O-N 3.25Å; I144-M146 VanDerWaalsContact O-N 3.09Å; M146-K149 WeakPolarHBondContact O-CB 3.08Å; M146-K149 PolarHBondContact O-N 3Å | ||
| 147 | P | 94.4 | Very high | 92.9 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 148.4 | 167.8 | -29.3 | 36.8 | 0 | 0 | 0 | 113.2 | K149 L195 | P147-K149 VanDerWaalsContact C-N 3.33Å; P147-L195 CarbonylContact C-O 3.58Å; P147-L195 WeakPolarHBondContact CA-O 3.39Å |
| 148 | G | 91.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -3.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I150 L195 | G148-I150 PolarHBondContact O-N 3.12Å; G148-L195 PolarHBondContact N-O 2.9Å |
| 149 | K | 93.9 | Very high | 92.5 | Very high | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | trans | -65.7 | 132.1 | 173.1 | -174.4 | 67.3 | 175.6 | -172.1 | 0 | 110.8 | T145 M146 P147 F151 V194 L195 | T145-K149 HydrophobicContact CG2-CB 3.43Å; T145-K149 VanDerWaalsContact CG2-CB 3.43Å; T145-K149 HydrophobicContact CG2-CD 4.49Å; T145-K149 HydrophobicContact CG2-CG 3.55Å; M146-K149 WeakPolarHBondContact O-CB 3.08Å; M146-K149 PolarHBondContact O-N 3Å; P147-K149 VanDerWaalsContact C-N 3.33Å; K149-F151 HydrophobicContact CB-CE2 4.18Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CG-CE1 4.22Å; K149-F151 HydrophobicContact CG-CE2 3.86Å; K149-F151 HydrophobicContact CG-CZ 3.68Å; K149-V194 WeakPolarHBondContact O-CA 3.29Å; K149-L195 PolarHBondContact O-N 2.9Å | ||
| 150 | I | 93.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 64 Ų | 64 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.7 | 179.4 | -51.4 | -179.3 | 0 | 0 | 0 | 110.1 | G148 E192 L193 V194 | G148-I150 PolarHBondContact O-N 3.12Å; I150-E192 HydrophobicContact CG2-CB 3.71Å; I150-E192 HydrophobicContact CG2-CG 3.82Å; I150-L193 CarbonylContact C-O 3.6Å; I150-L193 WeakPolarHBondContact CA-O 3.17Å; I150-V194 HydrophobicContact CG1-CG2 4.24Å |
| 151 | F | 94 | Very high | 91.8 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.9 | 173.8 | -54.5 | -90.7 | 0 | 0 | 0 | 109.5 | L139 I141 T145 K149 L153 F177 L193 L195 | L139-F151 HydrophobicContact CD1-CB 4.49Å; I141-F151 HydrophobicContact CB-CE1 4.49Å; I141-F151 HydrophobicContact CB-CZ 4.33Å; I141-F151 HydrophobicContact CD1-CD1 4.3Å; I141-F151 HydrophobicContact CD1-CD2 4.23Å; I141-F151 HydrophobicContact CD1-CE1 3.93Å; I141-F151 HydrophobicContact CD1-CE2 3.87Å; I141-F151 HydrophobicContact CD1-CG 4.44Å; I141-F151 HydrophobicContact CD1-CZ 3.69Å; I141-F151 HydrophobicContact CG1-CD1 4.36Å; I141-F151 HydrophobicContact CG1-CE1 3.77Å; I141-F151 HydrophobicContact CG1-CZ 3.86Å; I141-F151 HydrophobicContact CG2-CE1 4.12Å; I141-F151 HydrophobicContact CG2-CE2 4.43Å; I141-F151 HydrophobicContact CG2-CZ 3.58Å; T145-F151 HydrophobicContact CG2-CZ 4.05Å; K149-F151 HydrophobicContact CB-CE2 4.18Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CG-CE1 4.22Å; K149-F151 HydrophobicContact CG-CE2 3.86Å; K149-F151 HydrophobicContact CG-CZ 3.68Å; F151-L153 PolarHBondContact O-N 2.59Å; F151-F177 HydrophobicContact CE2-CE1 4.4Å; F151-L193 HydrophobicContact CB-CB 4.31Å; F151-L193 PolarHBondContact N-O 3.45Å; F151-L193 PolarHBondContact O-N 2.75Å; F151-L195 HydrophobicContact CE2-CB 4.3Å |
| 152 | P | 91.8 | Very high | 91.2 | Very high | 107 Ų | 107 | 61 Ų | 61 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.1 | 177.7 | 28.9 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 153 | L | 92.6 | Very high | 90.8 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 163 | 176 | -67.9 | 174 | 0 | 0 | 0 | 110.9 | M137 L139 F151 P191 L193 L211 I227 | M137-L153 HydrophobicContact SD-CD2 4.38Å; L139-L153 HydrophobicContact CD1-CD2 4.06Å; F151-L153 PolarHBondContact O-N 2.59Å; L153-P191 HydrophobicContact CB-CB 4.09Å; L153-P191 HydrophobicContact CB-CG 3.82Å; L153-P191 HydrophobicContact CD1-CB 4.17Å; L153-P191 PolarHBondContact N-O 3.26Å; L153-P191 VanDerWaalsContact N-O 3.1Å; L153-L193 HydrophobicContact CD1-CB 3.82Å; L153-L193 HydrophobicContact CD1-CD1 4.45Å; L153-L193 HydrophobicContact CD2-CB 4.47Å; L153-L193 HydrophobicContact CG-CB 4.04Å; L153-L211 HydrophobicContact CD1-CD1 4.15Å; L153-L211 HydrophobicContact CD1-CD2 4.12Å; L153-I227 HydrophobicContact CD1-CD1 3.61Å; L153-I227 HydrophobicContact CD2-CD1 3.85Å; L153-I227 HydrophobicContact CD2-CG1 4.39Å; L153-I227 HydrophobicContact CG-CD1 4.4Å |
| 154 | K | 90.3 | Very high | 90.4 | Very high | 116 Ų | 116 | 63.9 Ų | 63.9 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 133.7 | 171.3 | -61.7 | 178.2 | -177.7 | 173.7 | 0 | 109 | M137 P191 | M137-K154 HydrophobicContact CE-CB 3.87Å; M137-K154 HydrophobicContact SD-CB 3.84Å; M137-K154 HydrophobicContact SD-CD 4.32Å; M137-K154 HydrophobicContact SD-CG 4.08Å; K154-P191 WeakPolarHBondContact O-CG 3.19Å |
| 155 | M | 90.6 | Very high | 90.1 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 152.6 | 174 | 66.5 | -179.4 | -68.1 | 0 | 0 | 111.5 | P133 Y169 F190 | P133-M155 VanDerWaalsContact CD-O 3.26Å; P133-M155 WeakPolarHBondContact CD-O 3.26Å; M155-Y169 WeakPolarHBondContact CA-OH 3.46Å; M155-Y169 VanDerWaalsContact CB-OH 3.3Å; M155-Y169 WeakPolarHBondContact CB-OH 3.21Å; M155-F190 HydrophobicContact CB-CB 4.29Å |
| 156 | A | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 156.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P130 E131 F132 Y169 A213 | P130-A156 HydrophobicContact CB-CB 4.1Å; E131-A156 CarbonylContact O-C 3.53Å; E131-A156 VanDerWaalsContact O-CA 3.29Å; E131-A156 WeakPolarHBondContact O-CA 3.45Å; F132-A156 HydrophobicContact CD1-CB 3.91Å; F132-A156 HydrophobicContact CD2-CB 4.38Å; F132-A156 HydrophobicContact CE1-CB 3.76Å; F132-A156 HydrophobicContact CE2-CB 4.26Å; F132-A156 HydrophobicContact CG-CB 4.22Å; F132-A156 HydrophobicContact CZ-CB 3.95Å; A156-Y169 HydrophobicContact CB-CE1 4.06Å; A156-Y169 PolarHBondContact N-OH 3.29Å; A156-A213 HydrophobicContact CB-CB 3.56Å |
| 157 | H | 89.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 53.5 Ų | 53.5 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -113.1 | 141.6 | 170.3 | -64.3 | -53.2 | 0 | 0 | 0 | 109.4 | P130 E131 | P130-H157 CarbonylContact C-O 3.56Å; P130-H157 WeakPolarHBondContact CA-O 3.5Å; E131-H157 PolarHBondContact N-O 3.11Å; E131-H157 PolarHBondContact O-N 3.17Å |
| 158 | D | 90.5 | Very high | 89.6 | Confident | 31 Ų | 31 | 52 Ų | 52 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | trans | -138.2 | 140.1 | 179.4 | -160.7 | -9.1 | 0 | 0 | 0 | 106.3 | P130 G165 L166 | P130-D158 WeakPolarHBondContact CG-OD2 3.43Å; D158-G165 WeakPolarHBondContact OD2-CA 3.47Å; D158-L166 HydrophobicContact CB-CB 3.96Å; D158-L166 PolarHBondContact OD2-N 3.3Å | ||
| 159 | L | 88.1 | Confident | 89.7 | Confident | 100 Ų | 100 | 50 Ų | 50 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | trans | -93.2 | -25.7 | -175 | -61.3 | -175.8 | 0 | 0 | 0 | 111.6 | R91 E92 H128 | R91-L159 PolarHBondContact NH2-O 2.84Å; E92-L159 HydrophobicContact CG-CB 3.86Å; H128-L159 HydrophobicContact CB-CB 4.26Å | ||
| 160 | D | 88.5 | Confident | 89.7 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | trans | -69 | 153.3 | 179.3 | -57.4 | -3.4 | 0 | 0 | 0 | 110.8 | N126 D127 H128 N164 G165 | N126-D160 VanDerWaalsContact CA-OD2 3.26Å; N126-D160 WeakPolarHBondContact CA-OD2 3.16Å; N126-D160 PolarHBondContact OD1-OD2 3.33Å; D127-D160 PolarHBondContact N-OD2 3.19Å; D127-D160 VanDerWaalsContact N-OD2 3.17Å; H128-D160 VanDerWaalsContact CB-OD1 3.22Å; H128-D160 WeakPolarHBondContact CB-OD1 3.42Å; H128-D160 IonicContact CG-OD1 2.68Å; H128-D160 PolarHBondContact N-OD1 3.18Å; H128-D160 PolarHBondContact N-OD2 2.74Å; H128-D160 IonicContact ND1-OD1 3.29Å; H128-D160 PolarHBondContact ND1-OD1 3.07Å; H128-D160 VanDerWaalsContact ND1-OD1 3.15Å; D160-N164 HydrophobicContact CB-CB 3.9Å; D160-G165 VanDerWaalsContact O-CA 3.24Å; D160-G165 WeakPolarHBondContact O-CA 3.25Å | ||
| 161 | T | 84.5 | Confident | 89.7 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -117.1 | 178.6 | -172 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | R91 D124 S163 N164 G165 | R91-T161 PolarHBondContact NH1-OG1 3.48Å; D124-T161 WeakPolarHBondContact OD1-CA 3.26Å; D124-T161 WeakPolarHBondContact OD1-CB 3.29Å; D124-T161 PolarHBondContact OD1-N 3.05Å; D124-T161 PolarHBondContact OD1-OG1 3.21Å; T161-S163 PolarHBondContact O-N 2.79Å; T161-S163 VanDerWaalsContact O-N 3.12Å; T161-N164 PolarHBondContact O-N 3.26Å; T161-G165 PolarHBondContact O-N 2.87Å | ||
| 162 | G | 82.7 | Confident | 89.8 | Confident | 49 Ų | 49 | 46 Ų | 46 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -114.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E99 Q167 | E99-G162 WeakPolarHBondContact OE2-CA 3.46Å; E99-G162 PolarHBondContact OE2-N 3.25Å; G162-Q167 PolarHBondContact O-NE2 3.19Å |
| 163 | S | 84.7 | Confident | 89.8 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 53% | 0.531 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -27.4 | 177.7 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | T161 Q167 G216 | T161-S163 PolarHBondContact O-N 2.79Å; T161-S163 VanDerWaalsContact O-N 3.12Å; S163-Q167 PolarHBondContact O-NE2 3.48Å; S163-G216 CarbonylContact O-C 3.49Å; S163-G216 WeakPolarHBondContact O-CA 3.43Å; S163-G216 PolarHBondContact O-N 2.9Å |
| 164 | N | 86.3 | Confident | 89.8 | Confident | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -45.9 | -174.2 | -65.1 | -14.4 | 0 | 0 | 0 | 109.5 | D124 N126 D160 T161 D215 G216 | D124-N164 PolarHBondContact O-ND2 3.33Å; D124-N164 VanDerWaalsContact OD2-CB 3.24Å; D124-N164 WeakPolarHBondContact OD2-CB 3.28Å; D124-N164 PolarHBondContact OD2-ND2 2.84Å; N126-N164 HydrophobicContact CB-CB 4.03Å; N126-N164 PolarHBondContact N-ND2 2.83Å; N126-N164 WeakPolarHBondContact OD1-CB 3.29Å; N126-N164 PolarHBondContact OD1-O 2.96Å; D160-N164 HydrophobicContact CB-CB 3.9Å; T161-N164 PolarHBondContact O-N 3.26Å; N164-D215 WeakPolarHBondContact O-CB 3.41Å; N164-G216 PolarHBondContact O-N 2.82Å |
| 165 | G | 86.6 | Confident | 89.9 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -56.5 | 154 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D158 D160 T161 Q167 | D158-G165 WeakPolarHBondContact OD2-CA 3.47Å; D160-G165 VanDerWaalsContact O-CA 3.24Å; D160-G165 WeakPolarHBondContact O-CA 3.25Å; T161-G165 PolarHBondContact O-N 2.87Å; G165-Q167 WeakPolarHBondContact O-CG 3.43Å; G165-Q167 PolarHBondContact O-N 3.18Å; G165-Q167 PolarHBondContact O-NE2 2.79Å |
| 166 | L | 90.3 | Very high | 90 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 9% | 0.094 | 28% | 0.275 | C | S | . | . | trans | -20.2 | 111.2 | 175.7 | 178.9 | 70.8 | 0 | 0 | 0 | 116 | P130 D158 Y169 K189 A213 | P130-L166 HydrophobicContact CB-CD1 4.31Å; P130-L166 HydrophobicContact CG-CD1 4.31Å; D158-L166 HydrophobicContact CB-CB 3.96Å; D158-L166 PolarHBondContact OD2-N 3.3Å; L166-Y169 HydrophobicContact CD1-CE1 4.28Å; L166-Y169 HydrophobicContact CD1-CE2 4.39Å; L166-Y169 HydrophobicContact CD2-CE2 4.06Å; L166-Y169 WeakPolarHBondContact CD2-OH 3.46Å; L166-K189 HydrophobicContact CD2-CB 4.31Å; L166-K189 WeakPolarHBondContact O-CE 3.26Å; L166-A213 HydrophobicContact CD1-CB 3.8Å | ||
| 167 | Q | 89.2 | Confident | 90.2 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | trans | -102.9 | -39.9 | -179.7 | -66.1 | -54.8 | -35.4 | 0 | 0 | 115.3 | G162 S163 G165 K189 L214 G216 | G162-Q167 PolarHBondContact O-NE2 3.19Å; S163-Q167 PolarHBondContact O-NE2 3.48Å; G165-Q167 WeakPolarHBondContact O-CG 3.43Å; G165-Q167 PolarHBondContact O-N 3.18Å; G165-Q167 PolarHBondContact O-NE2 2.79Å; Q167-K189 WeakPolarHBondContact O-CD 3.4Å; Q167-K189 PolarHBondContact O-NZ 2.79Å; Q167-L214 PolarHBondContact N-O 3.26Å; Q167-G216 VanDerWaalsContact CG-CA 3.45Å | ||
| 168 | S | 91 | Very high | 90.5 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 162.3 | -174.3 | 64.7 | 0 | 0 | 0 | 0 | 113.4 | L214 | S168-L214 PolarHBondContact N-O 3.07Å; S168-L214 PolarHBondContact O-N 2.99Å |
| 169 | Y | 93.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.2 | 168.2 | -62.4 | -87.7 | 0 | 0 | 0 | 110.3 | F132 M155 A156 L166 V179 T181 K189 P191 L211 T212 A213 | F132-Y169 HydrophobicContact CE1-CD1 4.43Å; F132-Y169 AromaticContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CE1-CE1 3.89Å; F132-Y169 HydrophobicContact CZ-CD1 4.04Å; F132-Y169 AromaticContact CZ-CE1 3.84Å; F132-Y169 HydrophobicContact CZ-CE1 3.84Å; M155-Y169 WeakPolarHBondContact CA-OH 3.46Å; M155-Y169 VanDerWaalsContact CB-OH 3.3Å; M155-Y169 WeakPolarHBondContact CB-OH 3.21Å; A156-Y169 HydrophobicContact CB-CE1 4.06Å; A156-Y169 PolarHBondContact N-OH 3.29Å; L166-Y169 HydrophobicContact CD1-CE1 4.28Å; L166-Y169 HydrophobicContact CD1-CE2 4.39Å; L166-Y169 HydrophobicContact CD2-CE2 4.06Å; L166-Y169 WeakPolarHBondContact CD2-OH 3.46Å; Y169-V179 WeakPolarHBondContact O-CG1 3.3Å; Y169-T181 HydrophobicContact CD2-CG2 4.07Å; Y169-T181 PolarHBondContact N-OG1 3.34Å; Y169-K189 HydrophobicContact CE2-CB 4.41Å; Y169-K189 PolarHBondContact OH-O 3.24Å; Y169-P191 HydrophobicContact CD1-CB 3.96Å; Y169-P191 HydrophobicContact CD1-CG 3.83Å; Y169-P191 HydrophobicContact CD2-CB 3.87Å; Y169-P191 HydrophobicContact CD2-CG 4.13Å; Y169-P191 HydrophobicContact CE1-CB 4.32Å; Y169-P191 HydrophobicContact CE1-CG 3.7Å; Y169-P191 HydrophobicContact CE2-CB 4.26Å; Y169-P191 HydrophobicContact CE2-CG 4.04Å; Y169-P191 HydrophobicContact CG-CB 3.7Å; Y169-P191 HydrophobicContact CG-CG 4.02Å; Y169-L211 HydrophobicContact CD1-CD1 4.34Å; Y169-T212 WeakPolarHBondContact CA-O 3.44Å; Y169-A213 HydrophobicContact CD1-CB 3.96Å; Y169-A213 HydrophobicContact CE1-CB 3.81Å |
| 170 | T | 93.6 | Very high | 90.9 | Very high | 60 Ų | 60 | 40.9 Ų | 40.9 | 37% | 0.368 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 161.2 | 169.7 | 56.7 | 0 | 0 | 0 | 0 | 109.4 | T212 L214 | T170-T212 PolarHBondContact N-O 2.74Å; T170-T212 PolarHBondContact O-N 3.36Å; T170-L214 HydrophobicContact CG2-CD1 3.94Å |
| 171 | I | 95.2 | Very high | 91 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 160 | 172.3 | 57.6 | 171.1 | 0 | 0 | 0 | 110.7 | F177 V179 L193 L209 T210 L211 | I171-F177 HydrophobicContact CD1-CB 4.18Å; I171-F177 WeakPolarHBondContact CD1-O 3.2Å; I171-V179 HydrophobicContact CB-CG1 4.42Å; I171-V179 HydrophobicContact CD1-CB 4.5Å; I171-V179 HydrophobicContact CG1-CB 4.34Å; I171-V179 HydrophobicContact CG1-CG1 4.16Å; I171-V179 HydrophobicContact CG2-CB 3.86Å; I171-V179 HydrophobicContact CG2-CG1 3.89Å; I171-L193 HydrophobicContact CD1-CD1 3.88Å; I171-L209 HydrophobicContact CD1-CD1 4.42Å; I171-T210 CarbonylContact C-O 3.46Å; I171-T210 VanDerWaalsContact CA-O 3.23Å; I171-T210 WeakPolarHBondContact CA-O 3.25Å; I171-L211 HydrophobicContact CG2-CB 4.37Å; I171-L211 HydrophobicContact CG2-CD1 3.62Å |
| 172 | S | 94.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 47 Ų | 47 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | trans | -52.9 | 139.2 | 170.1 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | N174 L209 T210 | S172-N174 PolarHBondContact O-N 3.21Å; S172-N174 PolarHBondContact O-ND2 2.95Å; S172-L209 WeakPolarHBondContact OG-CA 3.47Å; S172-T210 PolarHBondContact N-O 2.89Å; S172-T210 PolarHBondContact OG-N 2.82Å | ||
| 173 | S | 92.4 | Very high | 91.3 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 93% | 0.93 | 29% | 0.286 | S | S | * | . | trans | -55.7 | 123.9 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 174 | N | 92.5 | Very high | 90.9 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | trans | -156.4 | 160.9 | -179.1 | 79.4 | 93.7 | 0 | 0 | 0 | 109.3 | S172 H176 F177 L209 | S172-N174 PolarHBondContact O-N 3.21Å; S172-N174 PolarHBondContact O-ND2 2.95Å; N174-H176 PolarHBondContact OD1-N 3.19Å; N174-H176 VanDerWaalsContact OD1-N 3.1Å; N174-F177 PolarHBondContact ND2-O 3.05Å; N174-F177 PolarHBondContact OD1-N 2.94Å; N174-F177 PolarHBondContact OD1-O 3.05Å; N174-L209 HydrophobicContact CB-CD2 3.65Å | ||
| 175 | P | 91.9 | Very high | 89.9 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -93.4 | -9.2 | -174.8 | 33.2 | -31 | 0 | 0 | 0 | 115.6 | K197 | P175-K197 WeakPolarHBondContact O-CD 3.24Å; P175-K197 WeakPolarHBondContact O-CE 3.02Å; P175-K197 WeakPolarHBondContact O-CG 3.39Å |
| 176 | H | 93.6 | Very high | 88.9 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -106 | -21.4 | -173.1 | -58 | -91.4 | 0 | 0 | 0 | 114.3 | N174 L195 D196 P198 L199 | N174-H176 PolarHBondContact OD1-N 3.19Å; N174-H176 VanDerWaalsContact OD1-N 3.1Å; H176-L195 HydrophobicContact CB-CD1 4.4Å; H176-L195 CarbonylContact O-C 3.5Å; H176-L195 WeakPolarHBondContact O-CA 3.38Å; H176-D196 PolarHBondContact O-N 2.95Å; H176-P198 PolarHBondContact ND1-O 3.46Å; H176-L199 HydrophobicContact CB-CD2 3.92Å |
| 177 | F | 95.5 | Very high | 87.9 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.8 | -172.8 | -60.3 | -86.9 | 0 | 0 | 0 | 113.4 | I141 F151 I171 N174 L193 V194 L195 L199 L207 L209 I229 | I141-F177 HydrophobicContact CD1-CE1 3.95Å; I141-F177 HydrophobicContact CD1-CZ 3.86Å; F151-F177 HydrophobicContact CE2-CE1 4.4Å; I171-F177 HydrophobicContact CD1-CB 4.18Å; I171-F177 WeakPolarHBondContact CD1-O 3.2Å; N174-F177 PolarHBondContact ND2-O 3.05Å; N174-F177 PolarHBondContact OD1-N 2.94Å; N174-F177 PolarHBondContact OD1-O 3.05Å; F177-L193 HydrophobicContact CB-CD1 3.9Å; F177-L193 HydrophobicContact CB-CG 4.25Å; F177-L193 HydrophobicContact CD1-CD1 4.3Å; F177-L193 HydrophobicContact CD1-CD2 3.7Å; F177-L193 HydrophobicContact CD1-CG 3.72Å; F177-L193 HydrophobicContact CE1-CD2 3.95Å; F177-L193 HydrophobicContact CE1-CG 4.4Å; F177-L193 HydrophobicContact CG-CD1 4.32Å; F177-L193 HydrophobicContact CG-CD2 4.22Å; F177-L193 HydrophobicContact CG-CG 4.23Å; F177-V194 VanDerWaalsContact CA-O 3.25Å; F177-V194 WeakPolarHBondContact CA-O 3.5Å; F177-L195 HydrophobicContact CD1-CB 4.28Å; F177-L195 HydrophobicContact CD1-CD1 3.89Å; F177-L195 HydrophobicContact CE1-CB 4.1Å; F177-L195 HydrophobicContact CE1-CD1 3.36Å; F177-L195 HydrophobicContact CE1-CG 4.34Å; F177-L195 HydrophobicContact CE2-CD1 4.16Å; F177-L195 HydrophobicContact CZ-CD1 3.51Å; F177-L199 HydrophobicContact CE2-CD2 3.82Å; F177-L199 HydrophobicContact CZ-CD1 4.14Å; F177-L199 HydrophobicContact CZ-CD2 3.9Å; F177-L207 HydrophobicContact CE2-CD2 4.4Å; F177-L209 HydrophobicContact CB-CD1 4.11Å; F177-L209 HydrophobicContact CD2-CD1 3.87Å; F177-L209 HydrophobicContact CG-CD1 4.16Å; F177-I229 HydrophobicContact CD2-CD1 3.99Å; F177-I229 HydrophobicContact CE1-CD1 4.27Å; F177-I229 HydrophobicContact CE2-CD1 3.45Å; F177-I229 VanDerWaalsContact CE2-CD1 3.45Å; F177-I229 HydrophobicContact CZ-CD1 3.61Å |
| 178 | H | 94.7 | Very high | 87.5 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 167.9 | 158.4 | 72.2 | -88.8 | 0 | 0 | 0 | 111 | L180 V194 D196 | H178-L180 WeakPolarHBondContact NE2-CD2 3.36Å; H178-L180 WeakPolarHBondContact NE2-CG 3.3Å; H178-V194 PolarHBondContact N-O 2.89Å; H178-V194 VanDerWaalsContact N-O 3.09Å; H178-V194 PolarHBondContact O-N 3.1Å; H178-D196 IonicContact CE1-OD1 3.5Å; H178-D196 PolarHBondContact CE1-OD1 2.79Å; H178-D196 IonicContact CE1-OD2 3.15Å; H178-D196 IonicContact CG-OD2 3.29Å; H178-D196 PolarHBondContact N-OD2 3.38Å; H178-D196 IonicContact ND1-OD1 3.14Å; H178-D196 PolarHBondContact ND1-OD1 2.76Å; H178-D196 IonicContact ND1-OD2 3.68Å; H178-D196 PolarHBondContact ND1-OD2 2.79Å |
| 179 | V | 94.8 | Very high | 87.2 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.4 | 172.1 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | Y169 I171 P191 E192 L211 | Y169-V179 WeakPolarHBondContact O-CG1 3.3Å; I171-V179 HydrophobicContact CB-CG1 4.42Å; I171-V179 HydrophobicContact CD1-CB 4.5Å; I171-V179 HydrophobicContact CG1-CB 4.34Å; I171-V179 HydrophobicContact CG1-CG1 4.16Å; I171-V179 HydrophobicContact CG2-CB 3.86Å; I171-V179 HydrophobicContact CG2-CG1 3.89Å; V179-P191 HydrophobicContact CG2-CB 3.75Å; V179-E192 CarbonylContact C-O 3.57Å; V179-E192 WeakPolarHBondContact CA-O 3.42Å; V179-L211 HydrophobicContact CG2-CD1 4.2Å |
| 180 | L | 92.9 | Very high | 87 | Confident | 60 Ų | 60 | 74.1 Ų | 74.1 | 31% | 0.314 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.3 | 169.3 | -65.4 | -179.8 | 0 | 0 | 0 | 109.6 | H178 E192 V194 | H178-L180 WeakPolarHBondContact NE2-CD2 3.36Å; H178-L180 WeakPolarHBondContact NE2-CG 3.3Å; L180-E192 HydrophobicContact CB-CB 4.34Å; L180-E192 PolarHBondContact N-O 2.82Å; L180-E192 PolarHBondContact O-N 2.84Å; L180-V194 HydrophobicContact CD1-CG2 3.75Å; L180-V194 HydrophobicContact CG-CG2 3.9Å |
| 181 | T | 91.2 | Very high | 87 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.8 | 168 | -60.1 | 0 | 0 | 0 | 0 | 108.7 | Y169 K189 | Y169-T181 HydrophobicContact CD2-CG2 4.07Å; Y169-T181 PolarHBondContact N-OG1 3.34Å; T181-K189 HydrophobicContact CG2-CB 3.93Å; T181-K189 HydrophobicContact CG2-CD 4.12Å |
| 182 | R | 87.6 | Confident | 87 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.6 | 174.7 | -68 | -62.4 | -169.1 | 179.8 | -2 | 111.1 | K189 F190 E192 | R182-K189 CarbonylContact O-C 3.54Å; R182-K189 VanDerWaalsContact O-CA 3.3Å; R182-K189 WeakPolarHBondContact O-CA 3.35Å; R182-F190 HydrophobicContact CB-CD1 3.98Å; R182-F190 HydrophobicContact CB-CD2 3.98Å; R182-F190 HydrophobicContact CB-CE1 3.52Å; R182-F190 HydrophobicContact CB-CE2 3.53Å; R182-F190 HydrophobicContact CB-CG 4.19Å; R182-F190 HydrophobicContact CB-CZ 3.29Å; R182-F190 HydrophobicContact CG-CE2 3.88Å; R182-F190 HydrophobicContact CG-CZ 3.94Å; R182-F190 PolarHBondContact N-O 2.83Å; R182-F190 VanDerWaalsContact O-CD1 3.29Å; R182-F190 WeakPolarHBondContact O-CD1 3.33Å; R182-F190 PolarHBondContact O-N 3.03Å; R182-E192 HydrophobicContact CG-CG 3.97Å; R182-E192 VanDerWaalsContact CG-OE2 3.26Å; R182-E192 WeakPolarHBondContact CG-OE2 3.39Å; R182-E192 IonicContact CZ-OE2 3.5Å; R182-E192 IonicContact NE-OE2 2.76Å; R182-E192 PolarHBondContact NE-OE2 3.01Å; R182-E192 IonicContact NH2-OE2 2.73Å; R182-E192 PolarHBondContact NH2-OE2 2.83Å |
| 183 | N | 85.6 | Confident | 87 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.7 | 174 | -59.4 | -15.6 | 0 | 0 | 0 | 109.4 | K189 | N183-K189 WeakPolarHBondContact OD1-CG 3.4Å |
| 184 | R | 76.9 | Confident | 87.1 | Confident | 177 Ų | 177 | 63.7 Ų | 63.7 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 166.5 | 169.7 | -153.1 | 171.6 | -177.7 | -174.4 | -0.4 | 110.4 | E186 G187 R188 F190 | R184-E186 PolarHBondContact O-N 2.89Å; R184-G187 PolarHBondContact O-N 2.86Å; R184-R188 PolarHBondContact N-O 2.84Å; R184-F190 HydrophobicContact CB-CE1 4.29Å |
| 185 | S | 63.7 | Low | 87.3 | Confident | 119 Ų | 119 | 62 Ų | 62 | 83% | 0.832 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -5.9 | -178.8 | 49.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 186 | E | 65.4 | Low | 87.3 | Confident | 135 Ų | 135 | 62.1 Ų | 62.1 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 17.5 | 179.6 | -63.5 | 171.6 | -176.1 | 0 | 0 | 112.1 | R184 R188 | R184-E186 PolarHBondContact O-N 2.89Å; E186-R188 PolarHBondContact O-N 2.83Å; E186-R188 IonicContact OE2-NE 3.95Å |
| 187 | G | 70.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 76.4 | -15.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R184 K189 | R184-G187 PolarHBondContact O-N 2.86Å; G187-K189 PolarHBondContact O-N 2.88Å |
| 188 | R | 79.6 | Confident | 87.2 | Confident | 159 Ų | 159 | 70 Ų | 70 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | trans | -60.5 | 131.2 | 176.8 | -63.2 | -176.8 | -178.9 | -168.4 | 0.3 | 111.9 | R184 E186 | R184-R188 PolarHBondContact N-O 2.84Å; E186-R188 PolarHBondContact O-N 2.83Å; E186-R188 IonicContact OE2-NE 3.95Å | ||
| 189 | K | 86.7 | Confident | 87.1 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131 | -179.2 | -46.9 | -164.5 | -167.6 | -173 | 0 | 111.2 | L166 Q167 Y169 T181 R182 N183 G187 | L166-K189 HydrophobicContact CD2-CB 4.31Å; L166-K189 WeakPolarHBondContact O-CE 3.26Å; Q167-K189 WeakPolarHBondContact O-CD 3.4Å; Q167-K189 PolarHBondContact O-NZ 2.79Å; Y169-K189 HydrophobicContact CE2-CB 4.41Å; Y169-K189 PolarHBondContact OH-O 3.24Å; T181-K189 HydrophobicContact CG2-CB 3.93Å; T181-K189 HydrophobicContact CG2-CD 4.12Å; R182-K189 CarbonylContact O-C 3.54Å; R182-K189 VanDerWaalsContact O-CA 3.3Å; R182-K189 WeakPolarHBondContact O-CA 3.35Å; N183-K189 WeakPolarHBondContact OD1-CG 3.4Å; G187-K189 PolarHBondContact O-N 2.88Å |
| 190 | F | 89.4 | Confident | 87.1 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148.8 | 179.3 | 61.8 | -84.6 | 0 | 0 | 0 | 112.3 | M155 R182 R184 E192 | M155-F190 HydrophobicContact CB-CB 4.29Å; R182-F190 HydrophobicContact CB-CD1 3.98Å; R182-F190 HydrophobicContact CB-CD2 3.98Å; R182-F190 HydrophobicContact CB-CE1 3.52Å; R182-F190 HydrophobicContact CB-CE2 3.53Å; R182-F190 HydrophobicContact CB-CG 4.19Å; R182-F190 HydrophobicContact CB-CZ 3.29Å; R182-F190 HydrophobicContact CG-CE2 3.88Å; R182-F190 HydrophobicContact CG-CZ 3.94Å; R182-F190 PolarHBondContact N-O 2.83Å; R182-F190 VanDerWaalsContact O-CD1 3.29Å; R182-F190 WeakPolarHBondContact O-CD1 3.33Å; R182-F190 PolarHBondContact O-N 3.03Å; R184-F190 HydrophobicContact CB-CE1 4.29Å; F190-E192 HydrophobicContact CD2-CG 4.21Å; F190-E192 HydrophobicContact CE2-CG 3.95Å |
| 191 | P | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.5 | 177.2 | 24.2 | -14.9 | 0 | 0 | 0 | 112 | L153 K154 Y169 V179 L211 | L153-P191 HydrophobicContact CB-CB 4.09Å; L153-P191 HydrophobicContact CB-CG 3.82Å; L153-P191 HydrophobicContact CD1-CB 4.17Å; L153-P191 PolarHBondContact N-O 3.26Å; L153-P191 VanDerWaalsContact N-O 3.1Å; K154-P191 WeakPolarHBondContact O-CG 3.19Å; Y169-P191 HydrophobicContact CD1-CB 3.96Å; Y169-P191 HydrophobicContact CD1-CG 3.83Å; Y169-P191 HydrophobicContact CD2-CB 3.87Å; Y169-P191 HydrophobicContact CD2-CG 4.13Å; Y169-P191 HydrophobicContact CE1-CB 4.32Å; Y169-P191 HydrophobicContact CE1-CG 3.7Å; Y169-P191 HydrophobicContact CE2-CB 4.26Å; Y169-P191 HydrophobicContact CE2-CG 4.04Å; Y169-P191 HydrophobicContact CG-CB 3.7Å; Y169-P191 HydrophobicContact CG-CG 4.02Å; V179-P191 HydrophobicContact CG2-CB 3.75Å; P191-L211 HydrophobicContact CB-CD1 4.31Å; P191-L211 HydrophobicContact CG-CD2 4.3Å |
| 192 | E | 93.9 | Very high | 87.2 | Confident | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.7 | 167.8 | -79.1 | -176.6 | 169.8 | 0 | 0 | 108.5 | I150 V179 L180 R182 F190 | I150-E192 HydrophobicContact CG2-CB 3.71Å; I150-E192 HydrophobicContact CG2-CG 3.82Å; V179-E192 CarbonylContact C-O 3.57Å; V179-E192 WeakPolarHBondContact CA-O 3.42Å; L180-E192 HydrophobicContact CB-CB 4.34Å; L180-E192 PolarHBondContact N-O 2.82Å; L180-E192 PolarHBondContact O-N 2.84Å; R182-E192 HydrophobicContact CG-CG 3.97Å; R182-E192 VanDerWaalsContact CG-OE2 3.26Å; R182-E192 WeakPolarHBondContact CG-OE2 3.39Å; R182-E192 IonicContact CZ-OE2 3.5Å; R182-E192 IonicContact NE-OE2 2.76Å; R182-E192 PolarHBondContact NE-OE2 3.01Å; R182-E192 IonicContact NH2-OE2 2.73Å; R182-E192 PolarHBondContact NH2-OE2 2.83Å; F190-E192 HydrophobicContact CD2-CG 4.21Å; F190-E192 HydrophobicContact CE2-CG 3.95Å |
| 193 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.3 | 171.4 | -167.5 | 73.1 | 0 | 0 | 0 | 108.7 | L139 I150 F151 L153 I171 F177 L209 I229 | L139-L193 HydrophobicContact CD1-CD2 3.79Å; I150-L193 CarbonylContact C-O 3.6Å; I150-L193 WeakPolarHBondContact CA-O 3.17Å; F151-L193 HydrophobicContact CB-CB 4.31Å; F151-L193 PolarHBondContact N-O 3.45Å; F151-L193 PolarHBondContact O-N 2.75Å; L153-L193 HydrophobicContact CD1-CB 3.82Å; L153-L193 HydrophobicContact CD1-CD1 4.45Å; L153-L193 HydrophobicContact CD2-CB 4.47Å; L153-L193 HydrophobicContact CG-CB 4.04Å; I171-L193 HydrophobicContact CD1-CD1 3.88Å; F177-L193 HydrophobicContact CB-CD1 3.9Å; F177-L193 HydrophobicContact CB-CG 4.25Å; F177-L193 HydrophobicContact CD1-CD1 4.3Å; F177-L193 HydrophobicContact CD1-CD2 3.7Å; F177-L193 HydrophobicContact CD1-CG 3.72Å; F177-L193 HydrophobicContact CE1-CD2 3.95Å; F177-L193 HydrophobicContact CE1-CG 4.4Å; F177-L193 HydrophobicContact CG-CD1 4.32Å; F177-L193 HydrophobicContact CG-CD2 4.22Å; F177-L193 HydrophobicContact CG-CG 4.23Å; L193-L209 HydrophobicContact CD1-CD1 4.32Å; L193-I229 HydrophobicContact CD2-CD1 4.11Å |
| 194 | V | 94.5 | Very high | 87.7 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.5 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | K149 I150 F177 H178 L180 | K149-V194 WeakPolarHBondContact O-CA 3.29Å; I150-V194 HydrophobicContact CG1-CG2 4.24Å; F177-V194 VanDerWaalsContact CA-O 3.25Å; F177-V194 WeakPolarHBondContact CA-O 3.5Å; H178-V194 PolarHBondContact N-O 2.89Å; H178-V194 VanDerWaalsContact N-O 3.09Å; H178-V194 PolarHBondContact O-N 3.1Å; L180-V194 HydrophobicContact CD1-CG2 3.75Å; L180-V194 HydrophobicContact CG-CG2 3.9Å |
| 195 | L | 95.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.3 | 175.4 | -174.3 | 73.3 | 0 | 0 | 0 | 110.1 | T145 P147 G148 K149 F151 H176 F177 K197 L199 | T145-L195 HydrophobicContact CG2-CD2 3.89Å; T145-L195 WeakPolarHBondContact O-CD2 3.34Å; P147-L195 CarbonylContact C-O 3.58Å; P147-L195 WeakPolarHBondContact CA-O 3.39Å; G148-L195 PolarHBondContact N-O 2.9Å; K149-L195 PolarHBondContact O-N 2.9Å; F151-L195 HydrophobicContact CE2-CB 4.3Å; H176-L195 HydrophobicContact CB-CD1 4.4Å; H176-L195 CarbonylContact O-C 3.5Å; H176-L195 WeakPolarHBondContact O-CA 3.38Å; F177-L195 HydrophobicContact CD1-CB 4.28Å; F177-L195 HydrophobicContact CD1-CD1 3.89Å; F177-L195 HydrophobicContact CE1-CB 4.1Å; F177-L195 HydrophobicContact CE1-CD1 3.36Å; F177-L195 HydrophobicContact CE1-CG 4.34Å; F177-L195 HydrophobicContact CE2-CD1 4.16Å; F177-L195 HydrophobicContact CZ-CD1 3.51Å; L195-K197 WeakPolarHBondContact CD1-O 3.34Å; L195-K197 WeakPolarHBondContact CG-O 3.23Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CD2 3.87Å; L195-L199 HydrophobicContact CD1-CG 3.82Å |
| 196 | D | 92.7 | Very high | 89.9 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 43% | 0.428 | 33% | 0.329 | S | S | . | . | trans | -95.8 | -32.2 | -179.5 | -71.4 | -43.8 | 0 | 0 | 0 | 113.8 | H176 H178 | H176-D196 PolarHBondContact O-N 2.95Å; H178-D196 IonicContact CE1-OD1 3.5Å; H178-D196 PolarHBondContact CE1-OD1 2.79Å; H178-D196 IonicContact CE1-OD2 3.15Å; H178-D196 IonicContact CG-OD2 3.29Å; H178-D196 PolarHBondContact N-OD2 3.38Å; H178-D196 IonicContact ND1-OD1 3.14Å; H178-D196 PolarHBondContact ND1-OD1 2.76Å; H178-D196 IonicContact ND1-OD2 3.68Å; H178-D196 PolarHBondContact ND1-OD2 2.79Å | ||
| 197 | K | 93.1 | Very high | 91.3 | Very high | 112 Ų | 112 | 61.4 Ų | 61.4 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -126 | 153.1 | 178.4 | -64.9 | -168.9 | -171.2 | 179.4 | 0 | 109.4 | P175 L195 | P175-K197 WeakPolarHBondContact O-CD 3.24Å; P175-K197 WeakPolarHBondContact O-CE 3.02Å; P175-K197 WeakPolarHBondContact O-CG 3.39Å; L195-K197 WeakPolarHBondContact CD1-O 3.34Å; L195-K197 WeakPolarHBondContact CG-O 3.23Å |
| 198 | P | 92.9 | Very high | 92.5 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | trans | -54 | 157 | 169.2 | 26.2 | -35.2 | 0 | 0 | 0 | 110.7 | H176 | H176-P198 PolarHBondContact ND1-O 3.46Š| ||
| 199 | L | 94.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | trans | -97.2 | 162.1 | 166.2 | -56 | 169.3 | 0 | 0 | 0 | 107.7 | I141 E143 H176 F177 L195 L207 V231 | I141-L199 HydrophobicContact CB-CD1 4.03Å; I141-L199 HydrophobicContact CG2-CD1 3.59Å; E143-L199 HydrophobicContact CB-CB 4.22Å; H176-L199 HydrophobicContact CB-CD2 3.92Å; F177-L199 HydrophobicContact CE2-CD2 3.82Å; F177-L199 HydrophobicContact CZ-CD1 4.14Å; F177-L199 HydrophobicContact CZ-CD2 3.9Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CD2 3.87Å; L195-L199 HydrophobicContact CD1-CG 3.82Å; L199-L207 HydrophobicContact CD2-CD1 4.44Å; L199-V231 HydrophobicContact CB-CG1 4.28Å; L199-V231 HydrophobicContact CD1-CG2 4.37Å | ||
| 200 | D | 93.3 | Very high | 93.6 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | trans | -146.4 | 118 | 178.3 | 173.6 | -32 | 0 | 0 | 0 | 104.7 | E202 E203 Q204 | D200-E202 WeakPolarHBondContact OD1-CA 3.38Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.97Å; D200-E203 HydrophobicContact CB-CB 4.03Å; D200-E203 WeakPolarHBondContact OD1-CB 3.44Å; D200-E203 PolarHBondContact OD1-N 2.88Å; D200-Q204 PolarHBondContact O-N 2.98Å | ||
| 201 | R | 93.9 | Very high | 93.9 | Very high | 35 Ų | 35 | 53 Ų | 53 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.5 | -175.5 | -168.5 | -145.3 | 58 | 62.8 | -15.7 | 111.2 | E143 P205 V231 D233 L268 D269 | E143-R201 WeakPolarHBondContact OE2-CA 3.5Å; E143-R201 WeakPolarHBondContact OE2-CB 3.42Å; E143-R201 PolarHBondContact OE2-N 2.9Å; R201-P205 HydrophobicContact CG-CB 3.89Å; R201-P205 WeakPolarHBondContact O-CD 3.34Å; R201-V231 HydrophobicContact CB-CB 4.24Å; R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CB 4.1Å; R201-V231 HydrophobicContact CG-CG1 4.15Å; R201-D233 WeakPolarHBondContact CD-OD1 3.16Å; R201-D233 IonicContact CZ-OD1 3.42Å; R201-D233 IonicContact NE-OD1 3.24Å; R201-D233 PolarHBondContact NE-OD1 3.3Å; R201-D233 IonicContact NH2-OD1 2.66Å; R201-D233 PolarHBondContact NH2-OD1 2.97Å; R201-L268 PolarHBondContact NH2-O 2.77Å; R201-D269 VanDerWaalsContact NH2-C 3.31Å |
| 202 | E | 93.8 | Very high | 93.9 | Very high | 55 Ų | 55 | 54.3 Ų | 54.3 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -39 | 176.2 | -69.8 | 56.7 | -120 | 0 | 0 | 110.1 | D200 L268 | D200-E202 WeakPolarHBondContact OD1-CA 3.38Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.97Å; E202-L268 HydrophobicContact CG-CB 3.85Å |
| 203 | E | 91.6 | Very high | 93.9 | Very high | 146 Ų | 146 | 52.8 Ų | 52.8 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -55.4 | 170.6 | -173.8 | 177.2 | -152.1 | 0 | 0 | 111.5 | D200 | D200-E203 HydrophobicContact CB-CB 4.03Å; D200-E203 WeakPolarHBondContact OD1-CB 3.44Å; D200-E203 PolarHBondContact OD1-N 2.88Å |
| 204 | Q | 92.2 | Very high | 93.7 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | trans | -144.7 | 93.8 | -176.4 | -168.6 | 168.7 | 3.3 | 0 | 0 | 114.3 | D200 R206 L207 V231 | D200-Q204 PolarHBondContact O-N 2.98Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 WeakPolarHBondContact CG-O 3.33Å; Q204-R206 PolarHBondContact NE2-O 2.79Å; Q204-R206 PolarHBondContact O-N 3.05Å; Q204-R206 VanDerWaalsContact O-N 3.17Å; Q204-L207 HydrophobicContact CG-CD1 4.33Å; Q204-L207 HydrophobicContact CG-CG 4.11Å; Q204-V231 WeakPolarHBondContact O-CG2 3.26Å | ||
| 205 | P | 92.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -71.2 | -15.9 | -175.7 | 28.1 | -36.2 | 0 | 0 | 0 | 114.6 | R201 V231 | R201-P205 HydrophobicContact CG-CB 3.89Å; R201-P205 WeakPolarHBondContact O-CD 3.34Å; P205-V231 PolarHBondContact O-N 2.81Å |
| 206 | R | 94.3 | Very high | 93.1 | Very high | 185 Ų | 185 | 57 Ų | 57 | 70% | 0.698 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 131.6 | -178.5 | -63.7 | -175.2 | -175.2 | 175 | 2.6 | 111.4 | Q204 I229 | Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 WeakPolarHBondContact CG-O 3.33Å; Q204-R206 PolarHBondContact NE2-O 2.79Å; Q204-R206 PolarHBondContact O-N 3.05Å; Q204-R206 VanDerWaalsContact O-N 3.17Å; R206-I229 WeakPolarHBondContact CA-O 3.26Å |
| 207 | L | 93.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.8 | 172.6 | -56.7 | 88.8 | 0 | 0 | 0 | 109.3 | F177 L199 Q204 I229 V231 | F177-L207 HydrophobicContact CE2-CD2 4.4Å; L199-L207 HydrophobicContact CD2-CD1 4.44Å; Q204-L207 HydrophobicContact CG-CD1 4.33Å; Q204-L207 HydrophobicContact CG-CG 4.11Å; L207-I229 HydrophobicContact CB-CB 4.21Å; L207-I229 HydrophobicContact CD1-CG2 4.45Å; L207-I229 PolarHBondContact N-O 3.43Å; L207-I229 PolarHBondContact O-N 2.9Å; L207-V231 HydrophobicContact CD1-CG2 3.72Å |
| 208 | T | 94.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.4 | 172 | -55.8 | 0 | 0 | 0 | 0 | 108.1 | I227 H228 | T208-I227 WeakPolarHBondContact CA-O 3.38Å; T208-H228 PolarHBondContact OG1-CD2 3.3Å |
| 209 | L | 94.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.3 | 178.9 | -55 | 176.9 | 0 | 0 | 0 | 110 | I171 S172 N174 F177 L193 E226 I227 I229 | I171-L209 HydrophobicContact CD1-CD1 4.42Å; S172-L209 WeakPolarHBondContact OG-CA 3.47Å; N174-L209 HydrophobicContact CB-CD2 3.65Å; F177-L209 HydrophobicContact CB-CD1 4.11Å; F177-L209 HydrophobicContact CD2-CD1 3.87Å; F177-L209 HydrophobicContact CG-CD1 4.16Å; L193-L209 HydrophobicContact CD1-CD1 4.32Å; L209-E226 CarbonylContact O-C 3.55Å; L209-I227 HydrophobicContact CB-CB 4.33Å; L209-I227 PolarHBondContact N-O 2.89Å; L209-I227 PolarHBondContact O-N 2.77Å; L209-I229 HydrophobicContact CD1-CD1 3.75Å; L209-I229 HydrophobicContact CG-CD1 4.32Å |
| 210 | T | 94.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.4 | 172.5 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | I171 S172 T224 | I171-T210 CarbonylContact C-O 3.46Å; I171-T210 VanDerWaalsContact CA-O 3.23Å; I171-T210 WeakPolarHBondContact CA-O 3.25Å; S172-T210 PolarHBondContact N-O 2.89Å; S172-T210 PolarHBondContact OG-N 2.82Å; T210-T224 HydrophobicContact CG2-CG2 4.13Å |
| 211 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.9 | 170.2 | -179.9 | 70.4 | 0 | 0 | 0 | 109.4 | F132 M137 L153 Y169 I171 V179 P191 T224 S225 I227 | F132-L211 HydrophobicContact CD1-CD2 4.37Å; F132-L211 HydrophobicContact CE1-CD2 3.44Å; F132-L211 VanDerWaalsContact CE1-CD2 3.44Å; F132-L211 HydrophobicContact CE1-CG 4.16Å; F132-L211 HydrophobicContact CE2-CD2 4.44Å; F132-L211 HydrophobicContact CE2-CG 4.41Å; F132-L211 HydrophobicContact CZ-CD2 3.49Å; F132-L211 VanDerWaalsContact CZ-CD2 3.49Å; F132-L211 HydrophobicContact CZ-CG 3.66Å; M137-L211 HydrophobicContact CE-CD2 3.97Å; L153-L211 HydrophobicContact CD1-CD1 4.15Å; L153-L211 HydrophobicContact CD1-CD2 4.12Å; Y169-L211 HydrophobicContact CD1-CD1 4.34Å; I171-L211 HydrophobicContact CG2-CB 4.37Å; I171-L211 HydrophobicContact CG2-CD1 3.62Å; V179-L211 HydrophobicContact CG2-CD1 4.2Å; P191-L211 HydrophobicContact CB-CD1 4.31Å; P191-L211 HydrophobicContact CG-CD2 4.3Å; L211-T224 CarbonylContact O-C 3.59Å; L211-T224 VanDerWaalsContact O-CA 3.26Å; L211-T224 WeakPolarHBondContact O-CA 3.48Å; L211-S225 PolarHBondContact N-O 3.04Å; L211-S225 PolarHBondContact O-N 2.79Å; L211-I227 HydrophobicContact CB-CD1 3.96Å; L211-I227 HydrophobicContact CB-CG1 4.2Å |
| 212 | T | 94.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.172 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.3 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | Y169 T170 L214 G223 T224 | Y169-T212 WeakPolarHBondContact CA-O 3.44Å; T170-T212 PolarHBondContact N-O 2.74Å; T170-T212 PolarHBondContact O-N 3.36Å; T212-L214 HydrophobicContact CG2-CD2 4.05Å; T212-L214 HydrophobicContact CG2-CG 4.3Å; T212-G223 CarbonylContact C-O 3.19Å; T212-G223 WeakPolarHBondContact CA-O 3.46Å; T212-T224 HydrophobicContact CG2-CG2 4.18Å |
| 213 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P130 F132 A156 L166 Y169 S222 G223 | P130-A213 HydrophobicContact CB-CB 3.6Å; P130-A213 HydrophobicContact CG-CB 4.35Å; F132-A213 HydrophobicContact CE2-CB 3.76Å; F132-A213 HydrophobicContact CZ-CB 3.69Å; A156-A213 HydrophobicContact CB-CB 3.56Å; L166-A213 HydrophobicContact CD1-CB 3.8Å; Y169-A213 HydrophobicContact CD1-CB 3.96Å; Y169-A213 HydrophobicContact CE1-CB 3.81Å; A213-S222 WeakPolarHBondContact O-CA 3.18Å; A213-S222 WeakPolarHBondContact O-CB 3.5Å; A213-G223 PolarHBondContact N-O 3.43Å; A213-G223 PolarHBondContact O-N 2.68Å; A213-G223 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 92.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 29% | 0.293 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.7 | -179 | -66.8 | 171.4 | 0 | 0 | 0 | 109.8 | Q167 S168 T170 T212 | Q167-L214 PolarHBondContact N-O 3.26Å; S168-L214 PolarHBondContact N-O 3.07Å; S168-L214 PolarHBondContact O-N 2.99Å; T170-L214 HydrophobicContact CG2-CD1 3.94Å; T212-L214 HydrophobicContact CG2-CD2 4.05Å; T212-L214 HydrophobicContact CG2-CG 4.3Å |
| 215 | D | 91.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | trans | -78.2 | -173.7 | 171.5 | 85.3 | 17.2 | 0 | 0 | 0 | 110.8 | N126 P130 N164 G217 P220 R221 | N126-D215 PolarHBondContact ND2-OD2 3.04Å; N126-D215 PolarHBondContact OD1-OD2 3.42Å; P130-D215 HydrophobicContact CG-CB 3.93Å; N164-D215 WeakPolarHBondContact O-CB 3.41Å; D215-G217 PolarHBondContact OD1-N 3.17Å; D215-P220 WeakPolarHBondContact OD1-CA 3.42Å; D215-P220 WeakPolarHBondContact OD1-CB 3.34Å; D215-R221 PolarHBondContact N-O 3.19Å; D215-R221 PolarHBondContact OD1-N 3.29Å; D215-R221 WeakPolarHBondContact OD2-CA 2.97Å; D215-R221 WeakPolarHBondContact OD2-CB 3.27Å; D215-R221 PolarHBondContact OD2-N 3.09Å | ||
| 216 | G | 86.4 | Confident | 91.9 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | trans | -120.3 | 16.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S163 N164 Q167 | S163-G216 CarbonylContact O-C 3.49Å; S163-G216 WeakPolarHBondContact O-CA 3.43Å; S163-G216 PolarHBondContact O-N 2.9Å; N164-G216 PolarHBondContact O-N 2.82Å; Q167-G216 VanDerWaalsContact CG-CA 3.45Å | ||
| 217 | G | 85.1 | Confident | 91.9 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | trans | -70.1 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D215 P219 | D215-G217 PolarHBondContact OD1-N 3.17Å; G217-P219 CarbonylContact C-O 3.49Å; G217-P219 CarbonylContact O-C 3.45Å | ||
| 218 | S | 82.1 | Confident | 92 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 83% | 0.832 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -143 | 98.1 | 176.8 | -74.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 219 | P | 86.2 | Confident | 92 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | S | Bend | cis | -69.4 | 149.7 | 4.8 | 30.9 | -36.5 | 0 | 0 | 0 | 113.1 | N126 G217 | N126-P219 PolarHBondContact ND2-O 3.1Å; G217-P219 CarbonylContact C-O 3.49Å; G217-P219 CarbonylContact O-C 3.45Å |
| 220 | P | 88.8 | Confident | 92 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 60% | 0.597 | 28% | 0.277 | S | S | * | . | trans | -74.6 | 145.4 | 174.4 | 32 | -35.1 | 0 | 0 | 0 | 110.8 | D215 | D215-P220 WeakPolarHBondContact OD1-CA 3.42Å; D215-P220 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 221 | R | 92 | Very high | 92 | Very high | 99 Ų | 99 | 44.1 Ų | 44.1 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | trans | -118.8 | 167.4 | 175.7 | -46.6 | 168.4 | 71.7 | 178.6 | -1.4 | 109.5 | N126 D127 H128 A129 D215 | N126-R221 WeakPolarHBondContact ND2-CD 3.16Å; N126-R221 PolarHBondContact O-NH1 3.01Å; D127-R221 VanDerWaalsContact CA-NH1 3.32Å; D127-R221 PolarHBondContact O-NH1 2.83Å; H128-R221 VanDerWaalsContact O-CD 3.29Å; H128-R221 WeakPolarHBondContact O-CD 3.24Å; H128-R221 VanDerWaalsContact O-CZ 3.23Å; H128-R221 PolarHBondContact O-NE 3.02Å; H128-R221 PolarHBondContact O-NH1 2.92Å; A129-R221 HydrophobicContact CB-CB 3.87Å; D215-R221 PolarHBondContact N-O 3.19Å; D215-R221 PolarHBondContact OD1-N 3.29Å; D215-R221 WeakPolarHBondContact OD2-CA 2.97Å; D215-R221 WeakPolarHBondContact OD2-CB 3.27Å; D215-R221 PolarHBondContact OD2-N 3.09Å | ||
| 222 | S | 92.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 46% | 0.462 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 143.4 | -167.7 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | A213 | A213-S222 WeakPolarHBondContact O-CA 3.18Å; A213-S222 WeakPolarHBondContact O-CB 3.5Å |
| 223 | G | 92.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 153.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P130 T212 A213 | P130-G223 WeakPolarHBondContact O-CA 3.49Å; P130-G223 PolarHBondContact O-N 3.12Å; T212-G223 CarbonylContact C-O 3.19Å; T212-G223 WeakPolarHBondContact CA-O 3.46Å; A213-G223 PolarHBondContact N-O 3.43Å; A213-G223 PolarHBondContact O-N 2.68Å; A213-G223 VanDerWaalsContact O-N 3.11Å |
| 224 | T | 94.3 | Very high | 91.9 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 55% | 0.546 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.4 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | T210 L211 T212 | T210-T224 HydrophobicContact CG2-CG2 4.13Å; L211-T224 CarbonylContact O-C 3.59Å; L211-T224 VanDerWaalsContact O-CA 3.26Å; L211-T224 WeakPolarHBondContact O-CA 3.48Å; T212-T224 HydrophobicContact CG2-CG2 4.18Å |
| 225 | S | 94.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.9 | 169.9 | 175 | 0 | 0 | 0 | 0 | 109.6 | A134 R135 M137 L211 | A134-S225 PolarHBondContact O-OG 2.87Å; R135-S225 CarbonylContact O-C 3.58Å; R135-S225 VanDerWaalsContact O-CA 3.25Å; R135-S225 WeakPolarHBondContact O-CA 3.48Å; R135-S225 WeakPolarHBondContact O-CB 3.09Å; R135-S225 PolarHBondContact O-OG 3.33Å; M137-S225 WeakPolarHBondContact CE-OG 3Å; L211-S225 PolarHBondContact N-O 3.04Å; L211-S225 PolarHBondContact O-N 2.79Å |
| 226 | E | 95.6 | Very high | 91.9 | Very high | 85 Ų | 85 | 52 Ų | 52 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.2 | 176.6 | -64.8 | -175 | 154.5 | 0 | 0 | 111.1 | R135 E136 M137 L209 H228 | R135-E226 PolarHBondContact O-N 2.69Å; E136-E226 CarbonylContact C-O 3.53Å; E136-E226 VanDerWaalsContact CA-O 3.28Å; E136-E226 WeakPolarHBondContact CA-O 3.14Å; E136-E226 HydrophobicContact CG-CB 4.48Å; M137-E226 PolarHBondContact N-O 3.12Å; L209-E226 CarbonylContact O-C 3.55Å; E226-H228 IonicContact OE2-CE1 3.55Å |
| 227 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 108.2 | 172 | -52.3 | 171.6 | 0 | 0 | 0 | 107.2 | M137 L139 L153 T208 L209 L211 I229 | M137-I227 CarbonylContact O-C 3.59Å; M137-I227 WeakPolarHBondContact O-CA 3.24Å; L139-I227 HydrophobicContact CD1-CG2 3.77Å; L139-I227 HydrophobicContact CG-CG2 4.02Å; L153-I227 HydrophobicContact CD1-CD1 3.61Å; L153-I227 HydrophobicContact CD2-CD1 3.85Å; L153-I227 HydrophobicContact CD2-CG1 4.39Å; L153-I227 HydrophobicContact CG-CD1 4.4Å; T208-I227 WeakPolarHBondContact CA-O 3.38Å; L209-I227 HydrophobicContact CB-CB 4.33Å; L209-I227 PolarHBondContact N-O 2.89Å; L209-I227 PolarHBondContact O-N 2.77Å; L211-I227 HydrophobicContact CB-CD1 3.96Å; L211-I227 HydrophobicContact CB-CG1 4.2Å; I227-I229 HydrophobicContact CG2-CD1 4.41Å; I227-I229 HydrophobicContact CG2-CG1 3.87Å |
| 228 | H | 95.2 | Very high | 92.6 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.2 | 170.6 | -73 | 120.8 | 0 | 0 | 0 | 108.8 | E136 M137 L138 L139 T208 E226 | E136-H228 IonicContact OE2-CE1 3.89Å; E136-H228 PolarHBondContact OE2-CE1 2.89Å; E136-H228 IonicContact OE2-ND1 3.57Å; E136-H228 PolarHBondContact OE2-ND1 3.34Å; M137-H228 PolarHBondContact O-N 2.8Å; L138-H228 CarbonylContact C-O 3.56Å; L138-H228 WeakPolarHBondContact CA-O 3.19Å; L138-H228 HydrophobicContact CD1-CB 4.16Å; L139-H228 PolarHBondContact N-O 3.24Å; T208-H228 PolarHBondContact OG1-CD2 3.3Å; E226-H228 IonicContact OE2-CE1 3.55Å |
| 229 | I | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.8 | 176 | -55.3 | -179.6 | 0 | 0 | 0 | 107.9 | L139 I141 F177 L193 R206 L207 L209 I227 | L139-I229 HydrophobicContact CB-CG1 4.39Å; L139-I229 WeakPolarHBondContact O-CA 3.47Å; I141-I229 HydrophobicContact CB-CG2 4.47Å; I141-I229 HydrophobicContact CD1-CG2 3.82Å; I141-I229 HydrophobicContact CG1-CG2 4.19Å; F177-I229 HydrophobicContact CD2-CD1 3.99Å; F177-I229 HydrophobicContact CE1-CD1 4.27Å; F177-I229 HydrophobicContact CE2-CD1 3.45Å; F177-I229 VanDerWaalsContact CE2-CD1 3.45Å; F177-I229 HydrophobicContact CZ-CD1 3.61Å; L193-I229 HydrophobicContact CD2-CD1 4.11Å; R206-I229 WeakPolarHBondContact CA-O 3.26Å; L207-I229 HydrophobicContact CB-CB 4.21Å; L207-I229 HydrophobicContact CD1-CG2 4.45Å; L207-I229 PolarHBondContact N-O 3.43Å; L207-I229 PolarHBondContact O-N 2.9Å; L209-I229 HydrophobicContact CD1-CD1 3.75Å; L209-I229 HydrophobicContact CG-CD1 4.32Å; I227-I229 HydrophobicContact CG2-CD1 4.41Å; I227-I229 HydrophobicContact CG2-CG1 3.87Å |
| 230 | Q | 95 | Very high | 93.7 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.1 | 166.4 | 178.8 | 177.9 | 10.9 | 0 | 0 | 108.2 | L139 K140 I141 L232 | L139-Q230 PolarHBondContact O-N 3.39Å; K140-Q230 WeakPolarHBondContact CA-O 3.33Å; K140-Q230 VanDerWaalsContact CE-OE1 3.24Å; K140-Q230 HydrophobicContact CG-CB 4.37Å; I141-Q230 PolarHBondContact N-O 3.04Å; Q230-L232 HydrophobicContact CG-CD2 4.45Å |
| 231 | V | 94.8 | Very high | 94 | Very high | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.9 | 171 | -169.6 | 0 | 0 | 0 | 0 | 108.2 | I141 E143 L199 R201 Q204 P205 L207 | I141-V231 CarbonylContact O-C 3.5Å; I141-V231 VanDerWaalsContact O-CA 3.27Å; I141-V231 WeakPolarHBondContact O-CA 3.23Å; E143-V231 HydrophobicContact CB-CG1 3.89Å; L199-V231 HydrophobicContact CB-CG1 4.28Å; L199-V231 HydrophobicContact CD1-CG2 4.37Å; R201-V231 HydrophobicContact CB-CB 4.24Å; R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CB 4.1Å; R201-V231 HydrophobicContact CG-CG1 4.15Å; Q204-V231 WeakPolarHBondContact O-CG2 3.26Å; P205-V231 PolarHBondContact O-N 2.81Å; L207-V231 HydrophobicContact CD1-CG2 3.72Å |
| 232 | L | 93.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.8 | 177.2 | -60.9 | -178.1 | 0 | 0 | 0 | 109.9 | K140 I141 S142 E143 Q230 | K140-L232 HydrophobicContact CB-CD1 3.97Å; K140-L232 HydrophobicContact CB-CD2 4.2Å; K140-L232 HydrophobicContact CB-CG 4.09Å; K140-L232 HydrophobicContact CD-CD2 4.35Å; I141-L232 PolarHBondContact O-N 3.41Å; S142-L232 WeakPolarHBondContact CA-O 3.13Å; S142-L232 PolarHBondContact OG-O 2.63Å; E143-L232 PolarHBondContact N-O 3.45Å; Q230-L232 HydrophobicContact CG-CD2 4.45Å |
| 233 | D | 93 | Very high | 93.9 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | trans | -39.8 | 132.3 | 168.8 | -158.9 | 60.6 | 0 | 0 | 0 | 112.9 | E143 R201 A270 F273 | E143-D233 WeakPolarHBondContact OE1-CA 3.32Å; R201-D233 WeakPolarHBondContact CD-OD1 3.16Å; R201-D233 IonicContact CZ-OD1 3.42Å; R201-D233 IonicContact NE-OD1 3.24Å; R201-D233 PolarHBondContact NE-OD1 3.3Å; R201-D233 IonicContact NH2-OD1 2.66Å; R201-D233 PolarHBondContact NH2-OD1 2.97Å; D233-A270 HydrophobicContact CB-CB 4.35Å; D233-A270 WeakPolarHBondContact OD1-CB 3.49Å; D233-A270 PolarHBondContact OD1-N 3.09Å; D233-A270 WeakPolarHBondContact OD2-CA 3.41Å; D233-A270 WeakPolarHBondContact OD2-CB 3.19Å; D233-A270 PolarHBondContact OD2-N 2.75Å; D233-A270 VanDerWaalsContact OD2-N 3.12Å; D233-A270 VanDerWaalsContact OD2-O 3.09Å; D233-F273 WeakPolarHBondContact OD2-CD2 3.5Å | ||
| 234 | I | 92.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | trans | -116.4 | 177.6 | 158.7 | 67.1 | 157.7 | 0 | 0 | 0 | 109.6 | S142 E143 I144 D236 | S142-I234 VanDerWaalsContact OG-CG2 3.23Å; S142-I234 WeakPolarHBondContact OG-CG2 3.14Å; E143-I234 HydrophobicContact CG-CD1 4.43Å; E143-I234 HydrophobicContact CG-CG1 3.85Å; E143-I234 PolarHBondContact OE1-N 2.75Å; I144-I234 HydrophobicContact CB-CD1 3.89Å; I144-I234 HydrophobicContact CD1-CD1 3.99Å; I144-I234 HydrophobicContact CG1-CD1 4.34Å; I144-I234 HydrophobicContact CG2-CG2 4.24Å; I234-D236 HydrophobicContact CD1-CB 3.68Å; I234-D236 HydrophobicContact CG1-CB 4.02Å | ||
| 235 | N | 93.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.171 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -101.8 | 79.3 | 176.3 | -160 | 120 | 0 | 0 | 0 | 108.8 | D269 F273 D321 G323 L325 | N235-D269 VanDerWaalsContact CA-OD2 3.23Å; N235-D269 WeakPolarHBondContact CA-OD2 3.43Å; N235-F273 HydrophobicContact CB-CB 4.12Å; N235-F273 HydrophobicContact CB-CD1 3.79Å; N235-F273 HydrophobicContact CB-CD2 3.98Å; N235-F273 HydrophobicContact CB-CE1 4.17Å; N235-F273 HydrophobicContact CB-CE2 4.34Å; N235-F273 HydrophobicContact CB-CG 3.7Å; N235-F273 HydrophobicContact CB-CZ 4.44Å; N235-F273 WeakPolarHBondContact OD1-CA 3.25Å; N235-F273 WeakPolarHBondContact OD1-CB 3.43Å; N235-F273 WeakPolarHBondContact OD1-CD1 3.49Å; N235-F273 VanDerWaalsContact OD1-CG 3.24Å; N235-F273 WeakPolarHBondContact OD1-CG 3.45Å; N235-D321 PolarHBondContact ND2-OD2 2.84Å; N235-D321 PolarHBondContact OD1-OD2 3.07Å; N235-G323 VanDerWaalsContact OD1-CA 3.24Å; N235-G323 WeakPolarHBondContact OD1-CA 3.35Å; N235-G323 PolarHBondContact OD1-N 3.02Å; N235-L325 WeakPolarHBondContact ND2-CD1 3.46Å; N235-L325 WeakPolarHBondContact ND2-CG 3.44Å; N235-L325 WeakPolarHBondContact O-CD1 3.4Å |
| 236 | D | 91.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | trans | -119.7 | -8.4 | -179.7 | 68.6 | -24.9 | 0 | 0 | 0 | 115.4 | I234 D269 | I234-D236 HydrophobicContact CD1-CB 3.68Å; I234-D236 HydrophobicContact CG1-CB 4.02Å; D236-D269 PolarHBondContact N-OD2 3.36Å | ||
| 237 | N | 92.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -85.6 | 165.1 | 160.2 | -63.6 | -86.7 | 0 | 0 | 0 | 110.4 | L268 D269 L325 | N237-L268 HydrophobicContact CB-CB 4.23Å; N237-D269 VanDerWaalsContact CB-OD1 3.27Å; N237-D269 WeakPolarHBondContact CB-OD1 3.45Å; N237-D269 PolarHBondContact N-OD1 3.26Å; N237-D269 PolarHBondContact N-OD2 2.88Å; N237-D269 PolarHBondContact ND2-OD1 3.29Å; N237-L325 WeakPolarHBondContact O-CD1 3.21Å |
| 238 | I | 93.9 | Very high | 93.8 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | trans | -124.2 | 153.6 | 174.7 | 68.8 | 176 | 0 | 0 | 0 | 109.3 | E240 D267 L325 | I238-E240 PolarHBondContact O-N 2.91Å; I238-D267 VanDerWaalsContact C-OD2 3.29Å; I238-L325 HydrophobicContact CB-CB 4.45Å; I238-L325 HydrophobicContact CG2-CB 3.8Å; I238-L325 HydrophobicContact CG2-CD1 3.86Å; I238-L325 HydrophobicContact CG2-CG 4.41Å | ||
| 239 | P | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | trans | -61.9 | 111.2 | 175.4 | -26.5 | 36 | 0 | 0 | 0 | 112.3 | A265 D267 V276 A319 D321 G327 | P239-A265 HydrophobicContact CB-CB 4.14Å; P239-D267 VanDerWaalsContact CD-OD2 3.25Å; P239-D267 WeakPolarHBondContact CD-OD2 3.2Å; P239-D267 WeakPolarHBondContact CG-OD2 3.39Å; P239-V276 HydrophobicContact CB-CG1 4.14Å; P239-V276 HydrophobicContact CB-CG2 3.92Å; P239-V276 HydrophobicContact CG-CG1 4.46Å; P239-V276 HydrophobicContact CG-CG2 4.09Å; P239-A319 HydrophobicContact CB-CB 3.81Å; P239-D321 HydrophobicContact CG-CB 3.87Å; P239-G327 WeakPolarHBondContact O-CA 3.38Å | ||
| 240 | E | 94.8 | Very high | 93.9 | Very high | 150 Ų | 150 | 65.1 Ų | 65.1 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122 | 179.4 | -171.7 | 179.9 | -154.3 | 0 | 0 | 110.8 | I238 A265 R266 | I238-E240 PolarHBondContact O-N 2.91Å; E240-A265 CarbonylContact O-C 3.54Å; E240-A265 WeakPolarHBondContact O-CA 3.46Å; E240-R266 PolarHBondContact N-O 3.46Å; E240-R266 PolarHBondContact O-N 2.87Å |
| 241 | F | 95.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 146.2 | 174.4 | -77.8 | -83 | 0 | 0 | 0 | 111.9 | Q243 Y246 V263 A265 Y278 V317 A319 C329 | F241-Q243 WeakPolarHBondContact CB-O 3.36Å; F241-Q243 PolarHBondContact O-N 3.08Å; F241-Q243 VanDerWaalsContact O-N 3.12Å; F241-Y246 HydrophobicContact CD1-CE2 4.33Å; F241-V263 HydrophobicContact CD1-CB 4.4Å; F241-V263 HydrophobicContact CE1-CB 4.1Å; F241-V263 HydrophobicContact CE1-CG2 4.04Å; F241-A265 HydrophobicContact CD1-CB 3.79Å; F241-A265 HydrophobicContact CD2-CB 4.24Å; F241-A265 HydrophobicContact CE1-CB 3.98Å; F241-A265 HydrophobicContact CE2-CB 4.41Å; F241-A265 HydrophobicContact CG-CB 3.95Å; F241-A265 HydrophobicContact CZ-CB 4.31Å; F241-Y278 HydrophobicContact CE1-CD1 4.19Å; F241-Y278 HydrophobicContact CE1-CE1 4.04Å; F241-Y278 HydrophobicContact CZ-CD1 4.36Å; F241-Y278 HydrophobicContact CZ-CE1 4.5Å; F241-V317 HydrophobicContact CZ-CB 4.33Å; F241-V317 HydrophobicContact CZ-CG1 4.15Å; F241-A319 HydrophobicContact CD2-CB 4.39Å; F241-A319 HydrophobicContact CE1-CB 4.16Å; F241-A319 HydrophobicContact CE2-CB 3.52Å; F241-A319 HydrophobicContact CZ-CB 3.39Å; F241-C329 HydrophobicContact CB-CB 4Å; F241-C329 HydrophobicContact CD1-CB 4.27Å; F241-C329 VanDerWaalsContact CD1-SG 3.51Å; F241-C329 HydrophobicContact CD2-CB 3.8Å; F241-C329 VanDerWaalsContact CE1-SG 3.56Å; F241-C329 HydrophobicContact CE2-CB 4.29Å; F241-C329 HydrophobicContact CG-CB 3.77Å |
| 242 | A | 91.5 | Very high | 93.9 | Very high | 83 Ų | 83 | 64 Ų | 64 | 69% | 0.686 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -64.5 | -15.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S264 | A242-S264 PolarHBondContact N-O 3.43Å; A242-S264 VanDerWaalsContact N-O 3.09Å |
| 243 | Q | 92.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 65.8 Ų | 65.8 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | trans | -149 | 143.8 | 177.9 | -56.3 | -179.5 | 5.3 | 0 | 0 | 108.9 | F241 L245 Y246 C329 | F241-Q243 WeakPolarHBondContact CB-O 3.36Å; F241-Q243 PolarHBondContact O-N 3.08Å; F241-Q243 VanDerWaalsContact O-N 3.12Å; Q243-L245 PolarHBondContact OE1-O 3.32Å; Q243-Y246 HydrophobicContact CB-CD2 4.27Å; Q243-Y246 HydrophobicContact CB-CE1 4.15Å; Q243-Y246 HydrophobicContact CB-CE2 3.89Å; Q243-Y246 HydrophobicContact CG-CE1 4.19Å; Q243-Y246 VanDerWaalsContact O-CE2 3.29Å; Q243-Y246 WeakPolarHBondContact O-CE2 3.27Å; Q243-C329 WeakPolarHBondContact O-CB 3.33Å | ||
| 244 | E | 91.6 | Very high | 94 | Very high | 179 Ų | 179 | 66.1 Ų | 66.1 | 84% | 0.836 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -74 | -33.4 | 173.2 | -64.3 | -178.9 | 167.9 | 0 | 0 | 112.1 | C329 S330 | E244-C329 WeakPolarHBondContact O-CA 3.19Å; E244-C329 WeakPolarHBondContact O-CB 3.3Å; E244-S330 PolarHBondContact O-N 2.82Å |
| 245 | L | 94.2 | Very high | 94.1 | Very high | 92 Ų | 92 | 69 Ų | 69 | 48% | 0.482 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.3 | 179.8 | 174.4 | 64.3 | 0 | 0 | 0 | 109.6 | Q243 S330 V332 | Q243-L245 PolarHBondContact OE1-O 3.32Å; L245-S330 WeakPolarHBondContact CA-O 3.1Å; L245-V332 HydrophobicContact CD1-CG2 3.77Å |
| 246 | Y | 94.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 72.9 Ų | 72.9 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.3 | 168.3 | -68 | -96.1 | 0 | 0 | 0 | 109.6 | F241 Q243 I261 V263 S264 C329 S330 L331 V332 | F241-Y246 HydrophobicContact CD1-CE2 4.33Å; Q243-Y246 HydrophobicContact CB-CD2 4.27Å; Q243-Y246 HydrophobicContact CB-CE1 4.15Å; Q243-Y246 HydrophobicContact CB-CE2 3.89Å; Q243-Y246 HydrophobicContact CG-CE1 4.19Å; Q243-Y246 VanDerWaalsContact O-CE2 3.29Å; Q243-Y246 WeakPolarHBondContact O-CE2 3.27Å; Y246-I261 HydrophobicContact CD1-CD1 4.15Å; Y246-V263 HydrophobicContact CD1-CG1 4.21Å; Y246-V263 HydrophobicContact CD2-CG1 3.98Å; Y246-V263 HydrophobicContact CE1-CG1 4.24Å; Y246-V263 HydrophobicContact CE2-CB 4.4Å; Y246-V263 HydrophobicContact CE2-CG1 4.01Å; Y246-V263 HydrophobicContact CG-CG1 4.08Å; Y246-S264 PolarHBondContact OH-O 2.94Å; Y246-C329 HydrophobicContact CD2-CB 4.23Å; Y246-C329 HydrophobicContact CE2-CB 4.07Å; Y246-S330 PolarHBondContact N-O 3.06Å; Y246-L331 WeakPolarHBondContact O-CA 3.39Å; Y246-V332 PolarHBondContact O-N 3.47Å |
| 247 | E | 95.3 | Very high | 94.2 | Very high | 107 Ų | 107 | 70.4 Ų | 70.4 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.8 | 168.3 | -65.9 | -157.5 | 145 | 0 | 0 | 110.2 | V332 R334 | E247-V332 WeakPolarHBondContact CA-O 3.46Å; E247-V332 HydrophobicContact CG-CB 4.43Å; E247-R334 IonicContact OE1-CZ 3.33Å; E247-R334 IonicContact OE1-NE 3.51Å; E247-R334 IonicContact OE1-NH2 3.36Å; E247-R334 PolarHBondContact OE1-NH2 2.72Å; E247-R334 IonicContact OE2-NE 3.78Å |
| 248 | A | 94.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V260 I261 L331 V332 V333 R334 | A248-V260 HydrophobicContact CB-CG1 3.9Å; A248-I261 HydrophobicContact CB-CB 4.21Å; A248-I261 HydrophobicContact CB-CD1 4.17Å; A248-L331 HydrophobicContact CB-CD1 4.19Å; A248-V332 PolarHBondContact N-O 2.93Å; A248-V333 HydrophobicContact CB-CG2 4.49Å; A248-R334 PolarHBondContact O-N 2.72Å |
| 249 | Q | 95.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 69 Ų | 69 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.5 | 173.3 | -68 | -174.8 | -19.6 | 0 | 0 | 109.2 | R334 L336 | Q249-R334 WeakPolarHBondContact CA-O 3.06Å; Q249-R334 HydrophobicContact CG-CB 4.32Å; Q249-L336 HydrophobicContact CB-CD1 4.07Å; Q249-L336 HydrophobicContact CB-CD2 4.35Å; Q249-L336 HydrophobicContact CB-CG 4.2Å; Q249-L336 HydrophobicContact CG-CD2 4.45Å |
| 250 | I | 95.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 126.4 | -178.1 | -175.6 | 160.2 | 0 | 0 | 0 | 110.7 | N254 V260 L301 L305 V333 R334 V335 L336 | I250-N254 HydrophobicContact CD1-CB 4.01Å; I250-N254 WeakPolarHBondContact CD1-ND2 3.24Å; I250-N254 HydrophobicContact CG1-CB 3.93Å; I250-N254 WeakPolarHBondContact CG1-ND2 3.3Å; I250-V260 HydrophobicContact CD1-CG2 3.9Å; I250-L301 HydrophobicContact CD1-CD2 4.32Å; I250-L305 HydrophobicContact CD1-CD1 4.39Å; I250-L305 HydrophobicContact CG1-CD1 4.26Å; I250-L305 HydrophobicContact CG2-CD1 3.55Å; I250-V333 HydrophobicContact CG2-CG1 3.54Å; I250-R334 PolarHBondContact N-O 2.86Å; I250-R334 VanDerWaalsContact N-O 3.07Å; I250-V335 CarbonylContact O-C 3.57Å; I250-V335 WeakPolarHBondContact O-CA 3.26Å; I250-L336 PolarHBondContact O-N 2.83Å |
| 251 | P | 95.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 141.2 | 169.1 | -21.9 | 33.8 | 0 | 0 | 0 | 111.2 | N253 N254 L336 V338 | P251-N253 VanDerWaalsContact C-N 3.3Å; P251-N253 PolarHBondContact O-N 3.4Å; P251-N254 VanDerWaalsContact O-CB 3.3Å; P251-N254 WeakPolarHBondContact O-CB 3.23Å; P251-N254 PolarHBondContact O-N 2.76Å; P251-L336 WeakPolarHBondContact CA-O 3.14Å; P251-V338 HydrophobicContact CB-CG2 3.82Å |
| 252 | E | 95 | Very high | 94.3 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -36 | -176.8 | 69.9 | -158.5 | 109.1 | 0 | 0 | 113.7 | N254 L305 F307 V335 L336 D337 V338 | E252-N254 PolarHBondContact O-N 2.75Å; E252-L305 HydrophobicContact CB-CB 4.07Å; E252-F307 WeakPolarHBondContact OE1-CB 3.43Å; E252-F307 WeakPolarHBondContact OE2-CB 3.32Å; E252-F307 PolarHBondContact OE2-N 2.92Å; E252-V335 HydrophobicContact CB-CG1 3.7Å; E252-L336 PolarHBondContact N-O 3.22Å; E252-D337 VanDerWaalsContact OE1-CA 3.29Å; E252-D337 WeakPolarHBondContact OE1-CA 3.23Å; E252-V338 HydrophobicContact CG-CB 4.3Å; E252-V338 HydrophobicContact CG-CG2 4.47Å; E252-V338 PolarHBondContact OE1-N 2.77Å |
| 253 | N | 93.9 | Very high | 94.5 | Very high | 103 Ų | 103 | 62.9 Ų | 62.9 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 6.6 | 179.3 | 77.3 | -7.5 | 0 | 0 | 0 | 114.2 | P251 V338 | P251-N253 VanDerWaalsContact C-N 3.3Å; P251-N253 PolarHBondContact O-N 3.4Å; N253-V338 WeakPolarHBondContact ND2-CG1 3.29Å |
| 254 | N | 94.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 136.8 | 179 | -101.6 | 25.2 | 0 | 0 | 0 | 111.2 | I250 P251 E252 L301 | I250-N254 HydrophobicContact CD1-CB 4.01Å; I250-N254 WeakPolarHBondContact CD1-ND2 3.24Å; I250-N254 HydrophobicContact CG1-CB 3.93Å; I250-N254 WeakPolarHBondContact CG1-ND2 3.3Å; P251-N254 VanDerWaalsContact O-CB 3.3Å; P251-N254 WeakPolarHBondContact O-CB 3.23Å; P251-N254 PolarHBondContact O-N 2.76Å; E252-N254 PolarHBondContact O-N 2.75Å; N254-L301 HydrophobicContact CB-CD2 4.19Å; N254-L301 WeakPolarHBondContact O-CD2 3.43Å |
| 255 | P | 94.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 53 Ų | 53 | 61% | 0.61 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 150 | -179.3 | 28.6 | -35.2 | 0 | 0 | 0 | 111.9 | S258 | P255-S258 WeakPolarHBondContact O-CB 3.45Å; P255-S258 PolarHBondContact O-N 2.96Å; P255-S258 VanDerWaalsContact O-N 3.11Å; P255-S258 PolarHBondContact O-OG 3.38Å |
| 256 | L | 93.8 | Very high | 94.7 | Very high | 113 Ų | 113 | 57.2 Ų | 57.2 | 59% | 0.592 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.8 | 172.8 | -53.8 | -177.3 | 0 | 0 | 0 | 110.8 | S258 | L256-S258 VanDerWaalsContact C-N 3.34Š|
| 257 | G | 92.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L301 | G257-L301 WeakPolarHBondContact CA-O 3.23Å; G257-L301 PolarHBondContact N-O 2.94Å |
| 258 | S | 94.5 | Very high | 94.6 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | trans | -61 | 142.3 | 173 | 55.7 | 0 | 0 | 0 | 0 | 111.7 | P255 L256 R300 L301 | P255-S258 WeakPolarHBondContact O-CB 3.45Å; P255-S258 PolarHBondContact O-N 2.96Å; P255-S258 VanDerWaalsContact O-N 3.11Å; P255-S258 PolarHBondContact O-OG 3.38Å; L256-S258 VanDerWaalsContact C-N 3.34Å; S258-R300 CarbonylContact O-C 3.58Å; S258-R300 WeakPolarHBondContact O-CA 3.34Å; S258-R300 WeakPolarHBondContact O-CB 3.45Å; S258-L301 PolarHBondContact O-N 3.08Å; S258-L301 WeakPolarHBondContact OG-CB 3.36Å | ||
| 259 | L | 95.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.8 | 174.1 | -178.5 | 69.6 | 0 | 0 | 0 | 109.2 | E298 R300 | L259-E298 HydrophobicContact CD1-CB 3.72Å; L259-E298 HydrophobicContact CD1-CG 3.8Å; L259-R300 HydrophobicContact CD1-CG 4.27Å |
| 260 | V | 95.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -56.5 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | A248 I250 F290 I299 V333 | A248-V260 HydrophobicContact CB-CG1 3.9Å; I250-V260 HydrophobicContact CD1-CG2 3.9Å; V260-F290 HydrophobicContact CG2-CD1 3.92Å; V260-F290 HydrophobicContact CG2-CE1 4.01Å; V260-I299 HydrophobicContact CB-CG2 4.41Å; V260-I299 WeakPolarHBondContact CB-O 3.33Å; V260-I299 PolarHBondContact N-O 2.77Å; V260-V333 HydrophobicContact CG1-CG1 3.9Å; V260-V333 HydrophobicContact CG1-CG2 4.12Å |
| 261 | I | 95.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 163.7 | -179.7 | -165.9 | 159.1 | 0 | 0 | 0 | 109.5 | Y246 A248 I299 L331 | Y246-I261 HydrophobicContact CD1-CD1 4.15Å; A248-I261 HydrophobicContact CB-CB 4.21Å; A248-I261 HydrophobicContact CB-CD1 4.17Å; I261-I299 HydrophobicContact CG2-CB 4.23Å; I261-I299 HydrophobicContact CG2-CD1 4.12Å; I261-I299 PolarHBondContact O-N 3.09Å; I261-L331 HydrophobicContact CD1-CD1 4.38Å; I261-L331 HydrophobicContact CG2-CD1 3.94Å; I261-L331 HydrophobicContact CG2-CD2 3.85Å |
| 262 | T | 95.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.5 | 169 | -53.2 | 0 | 0 | 0 | 0 | 108.5 | G297 E298 | T262-G297 WeakPolarHBondContact CA-O 3.48Å; T262-E298 HydrophobicContact CG2-CG 4.18Å |
| 263 | V | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | trans | -93.3 | 154.3 | 171.1 | -63.4 | 0 | 0 | 0 | 0 | 110 | F241 Y246 Y278 I292 G297 I299 V317 | F241-V263 HydrophobicContact CD1-CB 4.4Å; F241-V263 HydrophobicContact CE1-CB 4.1Å; F241-V263 HydrophobicContact CE1-CG2 4.04Å; Y246-V263 HydrophobicContact CD1-CG1 4.21Å; Y246-V263 HydrophobicContact CD2-CG1 3.98Å; Y246-V263 HydrophobicContact CE1-CG1 4.24Å; Y246-V263 HydrophobicContact CE2-CB 4.4Å; Y246-V263 HydrophobicContact CE2-CG1 4.01Å; Y246-V263 HydrophobicContact CG-CG1 4.08Å; V263-Y278 HydrophobicContact CG2-CD1 4.35Å; V263-I292 HydrophobicContact CG2-CD1 4.03Å; V263-G297 WeakPolarHBondContact CG2-O 3.45Å; V263-G297 PolarHBondContact N-O 3.44Å; V263-I299 HydrophobicContact CG1-CD1 4.15Å; V263-I299 HydrophobicContact CG2-CD1 4.32Å; V263-V317 HydrophobicContact CG2-CG1 4.14Å | ||
| 264 | S | 94.3 | Very high | 93.4 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | trans | -142 | 130.2 | 176.7 | -173 | 0 | 0 | 0 | 0 | 110.2 | A242 Y246 | A242-S264 PolarHBondContact N-O 3.43Å; A242-S264 VanDerWaalsContact N-O 3.09Å; Y246-S264 PolarHBondContact OH-O 2.94Å | ||
| 265 | A | 94.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | P239 E240 F241 V276 Y278 A319 | P239-A265 HydrophobicContact CB-CB 4.14Å; E240-A265 CarbonylContact O-C 3.54Å; E240-A265 WeakPolarHBondContact O-CA 3.46Å; F241-A265 HydrophobicContact CD1-CB 3.79Å; F241-A265 HydrophobicContact CD2-CB 4.24Å; F241-A265 HydrophobicContact CE1-CB 3.98Å; F241-A265 HydrophobicContact CE2-CB 4.41Å; F241-A265 HydrophobicContact CG-CB 3.95Å; F241-A265 HydrophobicContact CZ-CB 4.31Å; A265-V276 HydrophobicContact CB-CG1 4.28Å; A265-Y278 HydrophobicContact CB-CE1 3.95Å; A265-Y278 PolarHBondContact N-OH 3.25Å; A265-Y278 PolarHBondContact O-OH 2.81Å; A265-A319 HydrophobicContact CB-CB 3.53Å |
| 266 | R | 93.7 | Very high | 93.3 | Very high | 180 Ų | 180 | 56.2 Ų | 56.2 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.3 | -179.4 | 178.4 | 177.7 | 177.2 | -162.1 | -5.8 | 109.2 | E240 | E240-R266 PolarHBondContact N-O 3.46Å; E240-R266 PolarHBondContact O-N 2.87Å |
| 267 | D | 95 | Very high | 93.3 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | trans | -102.4 | 156.9 | 166.4 | -154.2 | -65.9 | 0 | 0 | 0 | 109.8 | I238 P239 D269 V276 | I238-D267 VanDerWaalsContact C-OD2 3.29Å; P239-D267 VanDerWaalsContact CD-OD2 3.25Å; P239-D267 WeakPolarHBondContact CD-OD2 3.2Å; P239-D267 WeakPolarHBondContact CG-OD2 3.39Å; D267-D269 WeakPolarHBondContact OD1-CB 3.5Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D267-V276 HydrophobicContact CB-CG2 3.95Å | ||
| 268 | L | 93.7 | Very high | 93.5 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | trans | -104.9 | -18.5 | -179.6 | -60.5 | -177.3 | 0 | 0 | 0 | 112.9 | R201 E202 N237 | R201-L268 PolarHBondContact NH2-O 2.77Å; E202-L268 HydrophobicContact CG-CB 3.85Å; N237-L268 HydrophobicContact CB-CB 4.23Å | ||
| 269 | D | 94.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -67.4 | 169.8 | -179.4 | -63.2 | -11.9 | 0 | 0 | 0 | 111.5 | R201 N235 D236 N237 D267 F273 G274 | R201-D269 VanDerWaalsContact NH2-C 3.31Å; N235-D269 VanDerWaalsContact CA-OD2 3.23Å; N235-D269 WeakPolarHBondContact CA-OD2 3.43Å; D236-D269 PolarHBondContact N-OD2 3.36Å; N237-D269 VanDerWaalsContact CB-OD1 3.27Å; N237-D269 WeakPolarHBondContact CB-OD1 3.45Å; N237-D269 PolarHBondContact N-OD1 3.26Å; N237-D269 PolarHBondContact N-OD2 2.88Å; N237-D269 PolarHBondContact ND2-OD1 3.29Å; D267-D269 WeakPolarHBondContact OD1-CB 3.5Å; D267-D269 PolarHBondContact OD1-N 3.32Å; D269-F273 HydrophobicContact CB-CB 3.55Å; D269-G274 WeakPolarHBondContact O-CA 3.38Å; D269-G274 PolarHBondContact O-N 3.05Å |
| 270 | A | 90.2 | Very high | 93.2 | Very high | 38 Ų | 38 | 51.6 Ų | 51.6 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | trans | -98.9 | 160.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D233 S272 F273 G274 | D233-A270 HydrophobicContact CB-CB 4.35Å; D233-A270 WeakPolarHBondContact OD1-CB 3.49Å; D233-A270 PolarHBondContact OD1-N 3.09Å; D233-A270 WeakPolarHBondContact OD2-CA 3.41Å; D233-A270 WeakPolarHBondContact OD2-CB 3.19Å; D233-A270 PolarHBondContact OD2-N 2.75Å; D233-A270 VanDerWaalsContact OD2-N 3.12Å; D233-A270 VanDerWaalsContact OD2-O 3.09Å; A270-S272 PolarHBondContact O-N 3.02Å; A270-F273 PolarHBondContact O-N 2.65Å; A270-G274 PolarHBondContact O-N 2.77Å | ||
| 271 | G | 89.4 | Confident | 92.5 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -108.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 272 | S | 89.9 | Confident | 91.3 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -30.1 | 177.9 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | A270 K275 G322 | A270-S272 PolarHBondContact O-N 3.02Å; S272-K275 PolarHBondContact O-N 2.95Å; S272-G322 VanDerWaalsContact O-CA 3.26Å; S272-G322 WeakPolarHBondContact O-CA 3.46Å; S272-G322 PolarHBondContact O-N 2.67Å |
| 273 | F | 91.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 59 Ų | 59 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -44.4 | 177.6 | -58.6 | -30.7 | 0 | 0 | 0 | 108.9 | D233 N235 D269 A270 K275 D321 | D233-F273 WeakPolarHBondContact OD2-CD2 3.5Å; N235-F273 HydrophobicContact CB-CB 4.12Å; N235-F273 HydrophobicContact CB-CD1 3.79Å; N235-F273 HydrophobicContact CB-CD2 3.98Å; N235-F273 HydrophobicContact CB-CE1 4.17Å; N235-F273 HydrophobicContact CB-CE2 4.34Å; N235-F273 HydrophobicContact CB-CG 3.7Å; N235-F273 HydrophobicContact CB-CZ 4.44Å; N235-F273 WeakPolarHBondContact OD1-CA 3.25Å; N235-F273 WeakPolarHBondContact OD1-CB 3.43Å; N235-F273 WeakPolarHBondContact OD1-CD1 3.49Å; N235-F273 VanDerWaalsContact OD1-CG 3.24Å; N235-F273 WeakPolarHBondContact OD1-CG 3.45Å; D269-F273 HydrophobicContact CB-CB 3.55Å; A270-F273 PolarHBondContact O-N 2.65Å; F273-K275 PolarHBondContact O-N 3.26Å; F273-D321 VanDerWaalsContact O-CB 3.3Å; F273-D321 WeakPolarHBondContact O-CB 3.44Å |
| 274 | G | 89.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 1.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | D269 A270 | D269-G274 WeakPolarHBondContact O-CA 3.38Å; D269-G274 PolarHBondContact O-N 3.05Å; A270-G274 PolarHBondContact O-N 2.77Å |
| 275 | K | 92.7 | Very high | 85.6 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | trans | -104.1 | 99 | -174.1 | -169.1 | -172.9 | 174.1 | -171.4 | 0 | 112.3 | S272 F273 G322 | S272-K275 PolarHBondContact O-N 2.95Å; F273-K275 PolarHBondContact O-N 3.26Å; K275-G322 PolarHBondContact O-N 2.93Å | ||
| 276 | V | 94.4 | Very high | 83.6 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 13% | 0.127 | 43% | 0.426 | C | S | . | . | trans | -71.1 | 145.4 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 113 | P239 A265 D267 Y278 A319 T320 | P239-V276 HydrophobicContact CB-CG1 4.14Å; P239-V276 HydrophobicContact CB-CG2 3.92Å; P239-V276 HydrophobicContact CG-CG1 4.46Å; P239-V276 HydrophobicContact CG-CG2 4.09Å; A265-V276 HydrophobicContact CB-CG1 4.28Å; D267-V276 HydrophobicContact CB-CG2 3.95Å; V276-Y278 HydrophobicContact CG1-CD1 4.41Å; V276-Y278 HydrophobicContact CG1-CE1 3.96Å; V276-Y278 HydrophobicContact CG1-CE2 4.29Å; V276-A319 HydrophobicContact CG1-CB 3.66Å; V276-T320 CarbonylContact C-O 3.59Å | ||
| 277 | S | 94.9 | Very high | 82.1 | Confident | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.4 | 165.9 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | A294 A319 T320 | S277-A294 VanDerWaalsContact CA-O 3.26Å; S277-A294 WeakPolarHBondContact CA-O 3.48Å; S277-A319 CarbonylContact O-C 3.55Å; S277-A319 WeakPolarHBondContact O-CA 3.41Å; S277-T320 PolarHBondContact N-O 2.96Å; S277-T320 PolarHBondContact O-N 2.96Å; S277-T320 PolarHBondContact OG-O 3.41Å |
| 278 | Y | 94.9 | Very high | 81.2 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 9% | 0.09 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.9 | -171.8 | -56.4 | -85.5 | 0 | 0 | 0 | 113.2 | F241 V263 A265 V276 A294 E318 A319 | F241-Y278 HydrophobicContact CE1-CD1 4.19Å; F241-Y278 HydrophobicContact CE1-CE1 4.04Å; F241-Y278 HydrophobicContact CZ-CD1 4.36Å; F241-Y278 HydrophobicContact CZ-CE1 4.5Å; V263-Y278 HydrophobicContact CG2-CD1 4.35Å; A265-Y278 HydrophobicContact CB-CE1 3.95Å; A265-Y278 PolarHBondContact N-OH 3.25Å; A265-Y278 PolarHBondContact O-OH 2.81Å; V276-Y278 HydrophobicContact CG1-CD1 4.41Å; V276-Y278 HydrophobicContact CG1-CE1 3.96Å; V276-Y278 HydrophobicContact CG1-CE2 4.29Å; Y278-A294 PolarHBondContact N-O 2.93Å; Y278-A294 VanDerWaalsContact N-O 3.08Å; Y278-A294 WeakPolarHBondContact O-CA 3.2Å; Y278-A294 WeakPolarHBondContact O-CB 3.2Å; Y278-E318 WeakPolarHBondContact CA-O 3.43Å; Y278-A319 HydrophobicContact CD1-CB 4.04Å; Y278-A319 HydrophobicContact CE1-CB 4.08Å |
| 279 | A | 92.9 | Very high | 81 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 35% | 0.347 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V317 E318 | A279-V317 WeakPolarHBondContact O-CG1 3.44Å; A279-E318 PolarHBondContact N-O 2.97Å; A279-E318 PolarHBondContact O-N 2.88Å |
| 280 | L | 91.1 | Very high | 80.9 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.4 | 167 | -59.1 | -176.2 | 0 | 0 | 0 | 107.7 | F290 I292 I299 V315 V317 | L280-F290 HydrophobicContact CD1-CB 4.08Å; L280-I292 HydrophobicContact CD2-CB 3.91Å; L280-I292 HydrophobicContact CD2-CD1 4.16Å; L280-I292 HydrophobicContact CD2-CG2 4.06Å; L280-I292 HydrophobicContact CG-CB 4Å; L280-I292 HydrophobicContact CG-CG2 3.78Å; L280-I299 HydrophobicContact CD2-CD1 4.24Å; L280-I299 HydrophobicContact CD2-CG1 4.46Å; L280-V315 HydrophobicContact CB-CG1 4.48Å; L280-V315 HydrophobicContact CD1-CG1 4.38Å; L280-V315 HydrophobicContact CD2-CG1 3.92Å; L280-V315 HydrophobicContact CG-CG1 4.47Å; L280-V317 HydrophobicContact CD2-CG1 4.4Å; L280-V317 HydrophobicContact CD2-CG2 4.01Å |
| 281 | F | 80.6 | Confident | 81 | Confident | 86 Ų | 86 | 75 Ų | 75 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | trans | -102.1 | 79.2 | -173.3 | -176.6 | -96.7 | 0 | 0 | 0 | 110 | D316 E318 K328 | F281-D316 HydrophobicContact CB-CB 4.4Å; F281-D316 HydrophobicContact CD1-CB 4.42Å; F281-D316 PolarHBondContact N-O 2.75Å; F281-E318 HydrophobicContact CB-CB 3.75Å; F281-E318 HydrophobicContact CD2-CB 4.24Å; F281-E318 VanDerWaalsContact CD2-OE2 3.28Å; F281-E318 WeakPolarHBondContact CD2-OE2 3.2Å; F281-E318 HydrophobicContact CG-CB 4.23Å; F281-K328 HydrophobicContact CD1-CD 4.13Å; F281-K328 VanDerWaalsContact CD2-NZ 3.3Å; F281-K328 HydrophobicContact CE1-CD 4.4Å; F281-K328 HydrophobicContact CG-CD 4.43Å | ||
| 282 | Q | 69.3 | Low | 81.3 | Confident | 66 Ų | 66 | 73 Ų | 73 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | trans | -146 | 158.8 | 175 | -110.8 | 162.6 | 25.4 | 0 | 0 | 114.7 | D314 D316 | Q282-D314 PolarHBondContact NE2-O 3.22Å; Q282-D314 PolarHBondContact OE1-O 3.37Å; Q282-D316 VanDerWaalsContact NE2-N 3.2Å; Q282-D316 PolarHBondContact NE2-OD2 2.78Å | ||
| 283 | V | 53.8 | Low | 81.5 | Confident | 128 Ų | 128 | 72.8 Ų | 72.8 | 78% | 0.776 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -95 | -15.4 | -150.7 | 178.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 284 | D | 56.4 | Low | 81.7 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 77% | 0.77 | 39% | 0.394 | S | S | * | . | trans | -118.4 | 69.4 | -177.1 | -71.6 | -58.1 | 0 | 0 | 0 | 111.9 | I286 | D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.86Å | ||
| 285 | D | 54.6 | Low | 81.8 | Confident | 156 Ų | 156 | 77.5 Ų | 77.5 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 45.7 | -163.8 | -169.1 | 25.9 | 0 | 0 | 0 | 116.2 | ||
| 286 | I | 54.1 | Low | 81.9 | Confident | 145 Ų | 145 | 73.9 Ų | 73.9 | 74% | 0.744 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -38.8 | 178.5 | -56.5 | -178.3 | 0 | 0 | 0 | 112.5 | D284 K303 | D284-I286 VanDerWaalsContact C-N 3.29Å; D284-I286 PolarHBondContact O-N 2.86Å; I286-K303 PolarHBondContact O-NZ 2.86Å |
| 287 | N | 60.7 | Low | 81.9 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 69% | 0.69 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -105.4 | -16.2 | -165.6 | -88.3 | -0.1 | 0 | 0 | 0 | 117.9 | K303 | N287-K303 VanDerWaalsContact C-NZ 3.31Å; N287-K303 VanDerWaalsContact CA-NZ 3.32Å; N287-K303 PolarHBondContact O-NZ 2.88Å |
| 288 | Q | 77.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -61.8 | 146.3 | -175.9 | -67.5 | -153.6 | -11.3 | 0 | 0 | 114.6 | ||||
| 289 | P | 89.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | trans | -88.7 | 0.3 | -174.8 | 36.5 | -37.3 | 0 | 0 | 0 | 113.9 | L301 R302 K303 L305 Y313 | P289-L301 HydrophobicContact CB-CD1 4.21Å; P289-R302 WeakPolarHBondContact O-CA 3.42Å; P289-R302 WeakPolarHBondContact O-CB 3.29Å; P289-R302 PolarHBondContact O-N 2.71Å; P289-K303 HydrophobicContact CB-CB 3.93Å; P289-K303 PolarHBondContact O-N 2.8Å; P289-L305 HydrophobicContact CB-CD2 3.63Å; P289-L305 HydrophobicContact CG-CD2 3.53Å; P289-Y313 HydrophobicContact CG-CD1 4.38Å; P289-Y313 HydrophobicContact CG-CE1 3.92Å; P289-Y313 HydrophobicContact CG-CE2 4.15Å | ||
| 290 | F | 92.5 | Very high | 82 | Confident | 9 Ų | 9 | 74.1 Ų | 74.1 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 155.5 | -173.6 | -51.2 | -63.4 | 0 | 0 | 0 | 113.6 | V260 L280 I299 R300 L301 L305 Y313 V315 V333 | V260-F290 HydrophobicContact CG2-CD1 3.92Å; V260-F290 HydrophobicContact CG2-CE1 4.01Å; L280-F290 HydrophobicContact CD1-CB 4.08Å; F290-I299 HydrophobicContact CB-CG2 4.06Å; F290-I299 HydrophobicContact CG-CG2 4.46Å; F290-R300 WeakPolarHBondContact CA-O 3.37Å; F290-L301 HydrophobicContact CD1-CD1 4.12Å; F290-L301 HydrophobicContact CE1-CD1 3.92Å; F290-L305 HydrophobicContact CE1-CD2 4.49Å; F290-L305 HydrophobicContact CZ-CD2 4.42Å; F290-Y313 HydrophobicContact CE2-CD1 4.3Å; F290-Y313 AromaticContact CE2-CD2 3.89Å; F290-Y313 HydrophobicContact CE2-CD2 3.89Å; F290-Y313 AromaticContact CE2-CG 3.72Å; F290-Y313 HydrophobicContact CE2-CG 3.72Å; F290-Y313 AromaticContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CE2 4.37Å; F290-Y313 HydrophobicContact CZ-CG 4.17Å; F290-V315 HydrophobicContact CD2-CG2 3.95Å; F290-V315 HydrophobicContact CE2-CG2 4.15Å; F290-V333 HydrophobicContact CE1-CG1 4.16Å; F290-V333 HydrophobicContact CE1-CG2 4.47Å; F290-V333 HydrophobicContact CE2-CB 4.29Å; F290-V333 HydrophobicContact CE2-CG2 4.11Å; F290-V333 HydrophobicContact CZ-CB 3.88Å; F290-V333 HydrophobicContact CZ-CG1 3.74Å; F290-V333 HydrophobicContact CZ-CG2 3.94Å |
| 291 | E | 92.6 | Very high | 82.2 | Confident | 91 Ų | 91 | 72 Ų | 72 | 43% | 0.425 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.8 | 167.4 | 62 | 179.9 | -152.8 | 0 | 0 | 110.2 | I299 R300 R302 | E291-I299 CarbonylContact O-C 3.34Å; E291-I299 WeakPolarHBondContact O-CA 3.42Å; E291-R300 HydrophobicContact CG-CB 4.17Å; E291-R300 PolarHBondContact N-O 2.81Å; E291-R300 PolarHBondContact O-N 2.9Å; E291-R302 HydrophobicContact CB-CB 4.34Å; E291-R302 HydrophobicContact CG-CB 4.15Å; E291-R302 WeakPolarHBondContact OE2-CD 2.86Å |
| 292 | I | 94.4 | Very high | 82.7 | Confident | 33 Ų | 33 | 75.2 Ų | 75.2 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 138.3 | 176.7 | -166.6 | 166.1 | 0 | 0 | 0 | 111.5 | V263 L280 A294 E298 I299 V317 | V263-I292 HydrophobicContact CG2-CD1 4.03Å; L280-I292 HydrophobicContact CD2-CB 3.91Å; L280-I292 HydrophobicContact CD2-CD1 4.16Å; L280-I292 HydrophobicContact CD2-CG2 4.06Å; L280-I292 HydrophobicContact CG-CB 4Å; L280-I292 HydrophobicContact CG-CG2 3.78Å; I292-A294 PolarHBondContact O-N 2.83Å; I292-E298 WeakPolarHBondContact CA-O 3.17Å; I292-I299 HydrophobicContact CB-CG1 4.06Å; I292-I299 HydrophobicContact CD1-CD1 4.03Å; I292-I299 HydrophobicContact CD1-CG1 3.67Å; I292-I299 HydrophobicContact CG1-CG1 3.7Å; I292-V317 HydrophobicContact CD1-CG1 3.52Å |
| 293 | N | 95.1 | Very high | 83.8 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | trans | -78.7 | 112.1 | 170.4 | -172.2 | -55.3 | 0 | 0 | 0 | 110.1 | I295 T296 G297 E298 | N293-I295 PolarHBondContact O-N 2.9Å; N293-I295 PolarHBondContact OD1-N 2.87Å; N293-T296 WeakPolarHBondContact CB-OG1 3.5Å; N293-T296 VanDerWaalsContact CG-OG1 3.26Å; N293-T296 PolarHBondContact O-N 3.11Å; N293-T296 PolarHBondContact OD1-N 2.85Å; N293-G297 PolarHBondContact O-N 2.85Å; N293-E298 HydrophobicContact CB-CB 4.29Å; N293-E298 PolarHBondContact N-O 3.47Å | ||
| 294 | A | 94.2 | Very high | 85.6 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | S277 Y278 I292 | S277-A294 VanDerWaalsContact CA-O 3.26Å; S277-A294 WeakPolarHBondContact CA-O 3.48Å; Y278-A294 PolarHBondContact N-O 2.93Å; Y278-A294 VanDerWaalsContact N-O 3.08Å; Y278-A294 WeakPolarHBondContact O-CA 3.2Å; Y278-A294 WeakPolarHBondContact O-CB 3.2Å; I292-A294 PolarHBondContact O-N 2.83Å |
| 295 | I | 92.9 | Very high | 87.4 | Confident | 133 Ų | 133 | 67 Ų | 67 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -41.1 | 178.2 | -57.5 | 175.2 | 0 | 0 | 0 | 111.6 | N293 | N293-I295 PolarHBondContact O-N 2.9Å; N293-I295 PolarHBondContact OD1-N 2.87Å |
| 296 | T | 94.5 | Very high | 89.2 | Confident | 59 Ų | 59 | 63 Ų | 63 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -13 | -173.1 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | N293 E298 | N293-T296 WeakPolarHBondContact CB-OG1 3.5Å; N293-T296 VanDerWaalsContact CG-OG1 3.26Å; N293-T296 PolarHBondContact O-N 3.11Å; N293-T296 PolarHBondContact OD1-N 2.85Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 WeakPolarHBondContact OG1-CG 3.45Å; T296-E298 PolarHBondContact OG1-OE1 2.9Å; T296-E298 VanDerWaalsContact OG1-OE1 3.08Å |
| 297 | G | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | 70 | 8.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T262 V263 N293 I299 | T262-G297 WeakPolarHBondContact CA-O 3.48Å; V263-G297 WeakPolarHBondContact CG2-O 3.45Å; V263-G297 PolarHBondContact N-O 3.44Å; N293-G297 PolarHBondContact O-N 2.85Å; G297-I299 PolarHBondContact O-N 3.06Å | ||
| 298 | E | 96.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 122.7 | 173.4 | -72.9 | 173 | -126.8 | 0 | 0 | 110.8 | L259 T262 I292 N293 T296 R300 | L259-E298 HydrophobicContact CD1-CB 3.72Å; L259-E298 HydrophobicContact CD1-CG 3.8Å; T262-E298 HydrophobicContact CG2-CG 4.18Å; I292-E298 WeakPolarHBondContact CA-O 3.17Å; N293-E298 HydrophobicContact CB-CB 4.29Å; N293-E298 PolarHBondContact N-O 3.47Å; T296-E298 PolarHBondContact O-N 2.96Å; T296-E298 WeakPolarHBondContact OG1-CG 3.45Å; T296-E298 PolarHBondContact OG1-OE1 2.9Å; T296-E298 VanDerWaalsContact OG1-OE1 3.08Å; E298-R300 IonicContact OE2-CZ 2.93Å; E298-R300 VanDerWaalsContact OE2-CZ 3.27Å; E298-R300 IonicContact OE2-NE 4Å; E298-R300 PolarHBondContact OE2-NE 2.95Å; E298-R300 IonicContact OE2-NH2 3.95Å; E298-R300 PolarHBondContact OE2-NH2 3.18Å |
| 299 | I | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 124.2 | 172.9 | -62 | 170.6 | 0 | 0 | 0 | 108 | V260 I261 V263 L280 F290 E291 I292 G297 V317 L331 | V260-I299 HydrophobicContact CB-CG2 4.41Å; V260-I299 WeakPolarHBondContact CB-O 3.33Å; V260-I299 PolarHBondContact N-O 2.77Å; I261-I299 HydrophobicContact CG2-CB 4.23Å; I261-I299 HydrophobicContact CG2-CD1 4.12Å; I261-I299 PolarHBondContact O-N 3.09Å; V263-I299 HydrophobicContact CG1-CD1 4.15Å; V263-I299 HydrophobicContact CG2-CD1 4.32Å; L280-I299 HydrophobicContact CD2-CD1 4.24Å; L280-I299 HydrophobicContact CD2-CG1 4.46Å; F290-I299 HydrophobicContact CB-CG2 4.06Å; F290-I299 HydrophobicContact CG-CG2 4.46Å; E291-I299 CarbonylContact O-C 3.34Å; E291-I299 WeakPolarHBondContact O-CA 3.42Å; I292-I299 HydrophobicContact CB-CG1 4.06Å; I292-I299 HydrophobicContact CD1-CD1 4.03Å; I292-I299 HydrophobicContact CD1-CG1 3.67Å; I292-I299 HydrophobicContact CG1-CG1 3.7Å; G297-I299 PolarHBondContact O-N 3.06Å; I299-V317 HydrophobicContact CD1-CG2 4Å; I299-L331 HydrophobicContact CD1-CD2 3.49Å; I299-L331 VanDerWaalsContact CD1-CD2 3.49Å |
| 300 | R | 94.6 | Very high | 93.5 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.1 | -173.8 | -63.3 | -174.7 | 177.2 | -159.6 | 0.3 | 111.7 | S258 L259 F290 E291 E298 | S258-R300 CarbonylContact O-C 3.58Å; S258-R300 WeakPolarHBondContact O-CA 3.34Å; S258-R300 WeakPolarHBondContact O-CB 3.45Å; L259-R300 HydrophobicContact CD1-CG 4.27Å; F290-R300 WeakPolarHBondContact CA-O 3.37Å; E291-R300 HydrophobicContact CG-CB 4.17Å; E291-R300 PolarHBondContact N-O 2.81Å; E291-R300 PolarHBondContact O-N 2.9Å; E298-R300 IonicContact OE2-CZ 2.93Å; E298-R300 VanDerWaalsContact OE2-CZ 3.27Å; E298-R300 IonicContact OE2-NE 4Å; E298-R300 PolarHBondContact OE2-NE 2.95Å; E298-R300 IonicContact OE2-NH2 3.95Å; E298-R300 PolarHBondContact OE2-NH2 3.18Å |
| 301 | L | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.9 | 179.6 | -169.1 | 67 | 0 | 0 | 0 | 111.4 | I250 N254 G257 S258 P289 F290 K303 L305 | I250-L301 HydrophobicContact CD1-CD2 4.32Å; N254-L301 HydrophobicContact CB-CD2 4.19Å; N254-L301 WeakPolarHBondContact O-CD2 3.43Å; G257-L301 WeakPolarHBondContact CA-O 3.23Å; G257-L301 PolarHBondContact N-O 2.94Å; S258-L301 PolarHBondContact O-N 3.08Å; S258-L301 WeakPolarHBondContact OG-CB 3.36Å; P289-L301 HydrophobicContact CB-CD1 4.21Å; F290-L301 HydrophobicContact CD1-CD1 4.12Å; F290-L301 HydrophobicContact CE1-CD1 3.92Å; L301-K303 WeakPolarHBondContact CD1-O 3.42Å; L301-K303 WeakPolarHBondContact CG-O 3.36Å; L301-L305 HydrophobicContact CD1-CD1 3.97Å; L301-L305 HydrophobicContact CD1-CD2 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.7Å; L301-L305 HydrophobicContact CD2-CG 4.34Å |
| 302 | R | 91.8 | Very high | 93.6 | Very high | 154 Ų | 154 | 63.5 Ų | 63.5 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | trans | -112.6 | -26.5 | -176.8 | -175.9 | 178.6 | 173.7 | -150 | 0.5 | 113.6 | P289 E291 | P289-R302 WeakPolarHBondContact O-CA 3.42Å; P289-R302 WeakPolarHBondContact O-CB 3.29Å; P289-R302 PolarHBondContact O-N 2.71Å; E291-R302 HydrophobicContact CB-CB 4.34Å; E291-R302 HydrophobicContact CG-CB 4.15Å; E291-R302 WeakPolarHBondContact OE2-CD 2.86Å | ||
| 303 | K | 91.5 | Very high | 93.4 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -124.1 | 159.4 | 171.9 | -56.8 | -177.9 | -174 | 176.9 | 0 | 109.6 | I286 N287 P289 L301 | I286-K303 PolarHBondContact O-NZ 2.86Å; N287-K303 VanDerWaalsContact C-NZ 3.31Å; N287-K303 VanDerWaalsContact CA-NZ 3.32Å; N287-K303 PolarHBondContact O-NZ 2.88Å; P289-K303 HydrophobicContact CB-CB 3.93Å; P289-K303 PolarHBondContact O-N 2.8Å; L301-K303 WeakPolarHBondContact CD1-O 3.42Å; L301-K303 WeakPolarHBondContact CG-O 3.36Å |
| 304 | A | 92.4 | Very high | 93.3 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | trans | -61.9 | 151.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 305 | L | 93.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | trans | -100.7 | 160.5 | 169.7 | -56 | 177 | 0 | 0 | 0 | 108.3 | I250 E252 P289 F290 L301 Y313 V335 | I250-L305 HydrophobicContact CD1-CD1 4.39Å; I250-L305 HydrophobicContact CG1-CD1 4.26Å; I250-L305 HydrophobicContact CG2-CD1 3.55Å; E252-L305 HydrophobicContact CB-CB 4.07Å; P289-L305 HydrophobicContact CB-CD2 3.63Å; P289-L305 HydrophobicContact CG-CD2 3.53Å; F290-L305 HydrophobicContact CE1-CD2 4.49Å; F290-L305 HydrophobicContact CZ-CD2 4.42Å; L301-L305 HydrophobicContact CD1-CD1 3.97Å; L301-L305 HydrophobicContact CD1-CD2 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.7Å; L301-L305 HydrophobicContact CD2-CG 4.34Å; L305-Y313 HydrophobicContact CD2-CE2 3.86Å; L305-V335 HydrophobicContact CB-CG1 4.35Å; L305-V335 HydrophobicContact CD1-CG1 4.45Å; L305-V335 HydrophobicContact CD1-CG2 4.24Å | ||
| 306 | D | 93.6 | Very high | 93 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | trans | -147.8 | 111.7 | -178.8 | 178.3 | -39.6 | 0 | 0 | 0 | 104.6 | E308 E309 V310 | D306-E308 PolarHBondContact OD1-N 2.82Å; D306-E309 HydrophobicContact CB-CB 4.01Å; D306-E309 PolarHBondContact O-N 2.94Å; D306-E309 WeakPolarHBondContact OD1-CB 3.28Å; D306-E309 PolarHBondContact OD1-N 2.9Å; D306-V310 PolarHBondContact O-N 3Å | ||
| 307 | F | 94.6 | Very high | 93 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -35.6 | -175.2 | 178.6 | -89.4 | 0 | 0 | 0 | 110.9 | E252 E309 Q311 V335 D337 | E252-F307 WeakPolarHBondContact OE1-CB 3.43Å; E252-F307 WeakPolarHBondContact OE2-CB 3.32Å; E252-F307 PolarHBondContact OE2-N 2.92Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.41Å; F307-Q311 HydrophobicContact CD1-CG 4.22Å; F307-Q311 HydrophobicContact CD2-CB 4.37Å; F307-Q311 HydrophobicContact CD2-CG 4.08Å; F307-Q311 HydrophobicContact CE1-CG 3.93Å; F307-Q311 HydrophobicContact CE2-CB 4.02Å; F307-Q311 HydrophobicContact CE2-CG 3.78Å; F307-Q311 HydrophobicContact CG-CG 4.29Å; F307-Q311 HydrophobicContact CZ-CB 4.35Å; F307-Q311 HydrophobicContact CZ-CG 3.7Å; F307-Q311 WeakPolarHBondContact O-CG 3.5Å; F307-V335 HydrophobicContact CB-CG1 4.06Å; F307-V335 HydrophobicContact CD2-CB 4Å; F307-V335 HydrophobicContact CD2-CG1 4.04Å; F307-V335 WeakPolarHBondContact CE2-O 3.39Å; F307-D337 HydrophobicContact CD1-CB 3.85Å; F307-D337 HydrophobicContact CD2-CB 4.04Å; F307-D337 HydrophobicContact CE1-CB 3.9Å; F307-D337 HydrophobicContact CE2-CB 4.09Å; F307-D337 HydrophobicContact CG-CB 3.93Å; F307-D337 HydrophobicContact CZ-CB 4.02Å |
| 308 | E | 94.3 | Very high | 93 | Very high | 64 Ų | 64 | 58.3 Ų | 58.3 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.1 | 175.3 | -73.1 | 59 | -123.6 | 0 | 0 | 112 | D306 A371 | D306-E308 PolarHBondContact OD1-N 2.82Å; E308-A371 HydrophobicContact CG-CB 4.09Å |
| 309 | E | 91.7 | Very high | 93 | Very high | 154 Ų | 154 | 56.2 Ų | 56.2 | 72% | 0.72 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -53.3 | 172.7 | -161.2 | -173.6 | -170.9 | 0 | 0 | 112.3 | D306 F307 | D306-E309 HydrophobicContact CB-CB 4.01Å; D306-E309 PolarHBondContact O-N 2.94Å; D306-E309 WeakPolarHBondContact OD1-CB 3.28Å; D306-E309 PolarHBondContact OD1-N 2.9Å; F307-E309 VanDerWaalsContact C-N 3.31Å; F307-E309 PolarHBondContact O-N 3.41Å |
| 310 | V | 90.9 | Very high | 93 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -145.2 | 103.4 | -174.2 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | D306 S312 Y313 V335 | D306-V310 PolarHBondContact O-N 3Å; V310-S312 WeakPolarHBondContact CG1-O 3.3Å; V310-S312 PolarHBondContact O-N 3.02Å; V310-Y313 HydrophobicContact CB-CE1 4.16Å; V310-Y313 HydrophobicContact CB-CE2 4.26Å; V310-Y313 HydrophobicContact CG1-CD1 4.08Å; V310-Y313 HydrophobicContact CG1-CD2 4.34Å; V310-Y313 HydrophobicContact CG1-CE1 3.68Å; V310-Y313 HydrophobicContact CG1-CE2 3.96Å; V310-Y313 HydrophobicContact CG1-CG 4.4Å; V310-Y313 HydrophobicContact CG2-CE1 4.5Å; V310-V335 VanDerWaalsContact O-CG2 3.3Å; V310-V335 WeakPolarHBondContact O-CG2 3.5Å | ||
| 311 | Q | 92.7 | Very high | 93 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 51% | 0.514 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -73.6 | -21.7 | -178.6 | -60.1 | -179.6 | -4.1 | 0 | 0 | 115.2 | F307 V335 | F307-Q311 HydrophobicContact CD1-CG 4.22Å; F307-Q311 HydrophobicContact CD2-CB 4.37Å; F307-Q311 HydrophobicContact CD2-CG 4.08Å; F307-Q311 HydrophobicContact CE1-CG 3.93Å; F307-Q311 HydrophobicContact CE2-CB 4.02Å; F307-Q311 HydrophobicContact CE2-CG 3.78Å; F307-Q311 HydrophobicContact CG-CG 4.29Å; F307-Q311 HydrophobicContact CZ-CB 4.35Å; F307-Q311 HydrophobicContact CZ-CG 3.7Å; F307-Q311 WeakPolarHBondContact O-CG 3.5Å; Q311-V335 PolarHBondContact O-N 3.04Å |
| 312 | S | 93.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 141.4 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | V310 V333 | V310-S312 WeakPolarHBondContact CG1-O 3.3Å; V310-S312 PolarHBondContact O-N 3.02Å; S312-V333 CarbonylContact C-O 3.48Å; S312-V333 VanDerWaalsContact CA-O 3.31Å; S312-V333 WeakPolarHBondContact CA-O 3.47Å |
| 313 | Y | 91.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.9 | 175.3 | -60 | -91.8 | 0 | 0 | 0 | 110.9 | P289 F290 L305 V310 V333 V335 | P289-Y313 HydrophobicContact CG-CD1 4.38Å; P289-Y313 HydrophobicContact CG-CE1 3.92Å; P289-Y313 HydrophobicContact CG-CE2 4.15Å; F290-Y313 HydrophobicContact CE2-CD1 4.3Å; F290-Y313 AromaticContact CE2-CD2 3.89Å; F290-Y313 HydrophobicContact CE2-CD2 3.89Å; F290-Y313 AromaticContact CE2-CG 3.72Å; F290-Y313 HydrophobicContact CE2-CG 3.72Å; F290-Y313 AromaticContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CD2 3.85Å; F290-Y313 HydrophobicContact CZ-CE2 4.37Å; F290-Y313 HydrophobicContact CZ-CG 4.17Å; L305-Y313 HydrophobicContact CD2-CE2 3.86Å; V310-Y313 HydrophobicContact CB-CE1 4.16Å; V310-Y313 HydrophobicContact CB-CE2 4.26Å; V310-Y313 HydrophobicContact CG1-CD1 4.08Å; V310-Y313 HydrophobicContact CG1-CD2 4.34Å; V310-Y313 HydrophobicContact CG1-CE1 3.68Å; V310-Y313 HydrophobicContact CG1-CE2 3.96Å; V310-Y313 HydrophobicContact CG1-CG 4.4Å; V310-Y313 HydrophobicContact CG2-CE1 4.5Å; Y313-V333 PolarHBondContact N-O 3.22Å; Y313-V333 PolarHBondContact O-N 3.43Å; Y313-V335 HydrophobicContact CD2-CG2 4.17Å; Y313-V335 HydrophobicContact CE2-CG2 3.82Å |
| 314 | D | 91.4 | Very high | 92.5 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.7 | 170.9 | -57.9 | -40.9 | 0 | 0 | 0 | 108.7 | Q282 | Q282-D314 PolarHBondContact NE2-O 3.22Å; Q282-D314 PolarHBondContact OE1-O 3.37Å |
| 315 | V | 89.9 | Confident | 92.5 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.5 | -173.2 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | L280 F290 L331 | L280-V315 HydrophobicContact CB-CG1 4.48Å; L280-V315 HydrophobicContact CD1-CG1 4.38Å; L280-V315 HydrophobicContact CD2-CG1 3.92Å; L280-V315 HydrophobicContact CG-CG1 4.47Å; F290-V315 HydrophobicContact CD2-CG2 3.95Å; F290-V315 HydrophobicContact CE2-CG2 4.15Å; V315-L331 HydrophobicContact CB-CB 4.49Å; V315-L331 PolarHBondContact N-O 3.48Å; V315-L331 WeakPolarHBondContact O-CB 3.48Å; V315-L331 PolarHBondContact O-N 2.96Å |
| 316 | D | 91.5 | Very high | 92.5 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.1 | 170.8 | -61.9 | -55.9 | 0 | 0 | 0 | 110.4 | F281 Q282 S330 | F281-D316 HydrophobicContact CB-CB 4.4Å; F281-D316 HydrophobicContact CD1-CB 4.42Å; F281-D316 PolarHBondContact N-O 2.75Å; Q282-D316 VanDerWaalsContact NE2-N 3.2Å; Q282-D316 PolarHBondContact NE2-OD2 2.78Å; D316-S330 WeakPolarHBondContact OD1-CB 3.31Å; D316-S330 PolarHBondContact OD1-OG 3.12Å |
| 317 | V | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132 | 178.4 | -166.7 | 0 | 0 | 0 | 0 | 108.9 | F241 V263 A279 L280 I292 I299 K328 C329 L331 | F241-V317 HydrophobicContact CZ-CB 4.33Å; F241-V317 HydrophobicContact CZ-CG1 4.15Å; V263-V317 HydrophobicContact CG2-CG1 4.14Å; A279-V317 WeakPolarHBondContact O-CG1 3.44Å; L280-V317 HydrophobicContact CD2-CG1 4.4Å; L280-V317 HydrophobicContact CD2-CG2 4.01Å; I292-V317 HydrophobicContact CD1-CG1 3.52Å; I299-V317 HydrophobicContact CD1-CG2 4Å; V317-K328 VanDerWaalsContact O-CA 3.29Å; V317-K328 WeakPolarHBondContact O-CA 3.29Å; V317-C329 PolarHBondContact N-O 2.87Å; V317-C329 PolarHBondContact O-N 2.89Å; V317-L331 HydrophobicContact CG2-CB 4.38Å |
| 318 | E | 94.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 16% | 0.159 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.9 | 176.8 | -178.6 | 169.7 | -119.4 | 0 | 0 | 109.9 | Y278 A279 F281 S326 G327 K328 | Y278-E318 WeakPolarHBondContact CA-O 3.43Å; A279-E318 PolarHBondContact N-O 2.97Å; A279-E318 PolarHBondContact O-N 2.88Å; F281-E318 HydrophobicContact CB-CB 3.75Å; F281-E318 HydrophobicContact CD2-CB 4.24Å; F281-E318 VanDerWaalsContact CD2-OE2 3.28Å; F281-E318 WeakPolarHBondContact CD2-OE2 3.2Å; F281-E318 HydrophobicContact CG-CB 4.23Å; E318-S326 WeakPolarHBondContact OE1-CB 3.41Å; E318-S326 PolarHBondContact OE1-OG 2.74Å; E318-G327 WeakPolarHBondContact CA-O 3.45Å; E318-K328 HydrophobicContact CB-CG 4.38Å; E318-K328 HydrophobicContact CG-CG 4.42Å; E318-K328 WeakPolarHBondContact OE1-CE 3.36Å; E318-K328 IonicContact OE1-NZ 3.48Å; E318-K328 PolarHBondContact OE1-NZ 2.91Å |
| 319 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.6 | 172 | 0 | 0 | 0 | 0 | 0 | 107.8 | P239 F241 A265 V276 S277 Y278 S326 G327 | P239-A319 HydrophobicContact CB-CB 3.81Å; F241-A319 HydrophobicContact CD2-CB 4.39Å; F241-A319 HydrophobicContact CE1-CB 4.16Å; F241-A319 HydrophobicContact CE2-CB 3.52Å; F241-A319 HydrophobicContact CZ-CB 3.39Å; A265-A319 HydrophobicContact CB-CB 3.53Å; V276-A319 HydrophobicContact CG1-CB 3.66Å; S277-A319 CarbonylContact O-C 3.55Å; S277-A319 WeakPolarHBondContact O-CA 3.41Å; Y278-A319 HydrophobicContact CD1-CB 4.04Å; Y278-A319 HydrophobicContact CE1-CB 4.08Å; A319-S326 CarbonylContact O-C 3.48Å; A319-S326 WeakPolarHBondContact O-CA 3.44Å; A319-G327 PolarHBondContact N-O 2.86Å; A319-G327 PolarHBondContact O-N 3.07Å |
| 320 | T | 95 | Very high | 92.5 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.5 | -177.2 | -48.1 | 0 | 0 | 0 | 0 | 110 | V276 S277 L325 | V276-T320 CarbonylContact C-O 3.59Å; S277-T320 PolarHBondContact N-O 2.96Å; S277-T320 PolarHBondContact O-N 2.96Å; S277-T320 PolarHBondContact OG-O 3.41Å; T320-L325 WeakPolarHBondContact CA-O 3.44Å; T320-L325 WeakPolarHBondContact CG2-O 3.48Å |
| 321 | D | 94.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -74 | -174.3 | 175.1 | 65 | 32.7 | 0 | 0 | 0 | 113 | N235 P239 F273 G323 G324 L325 | N235-D321 PolarHBondContact ND2-OD2 2.84Å; N235-D321 PolarHBondContact OD1-OD2 3.07Å; P239-D321 HydrophobicContact CG-CB 3.87Å; F273-D321 VanDerWaalsContact O-CB 3.3Å; F273-D321 WeakPolarHBondContact O-CB 3.44Å; D321-G323 WeakPolarHBondContact OD1-CA 3.37Å; D321-G323 PolarHBondContact OD1-N 2.88Å; D321-G324 PolarHBondContact OD1-N 2.9Å; D321-L325 PolarHBondContact N-O 2.68Å; D321-L325 PolarHBondContact OD1-N 3.2Å; D321-L325 VanDerWaalsContact OD2-CB 3.23Å; D321-L325 WeakPolarHBondContact OD2-CB 3.39Å; D321-L325 PolarHBondContact OD2-N 2.87Å | ||
| 322 | G | 89.3 | Confident | 92.7 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 54% | 0.536 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -82 | -7.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S272 K275 | S272-G322 VanDerWaalsContact O-CA 3.26Å; S272-G322 WeakPolarHBondContact O-CA 3.46Å; S272-G322 PolarHBondContact O-N 2.67Å; K275-G322 PolarHBondContact O-N 2.93Å |
| 323 | G | 88.3 | Confident | 92.8 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -97.2 | -16.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N235 D321 | N235-G323 VanDerWaalsContact OD1-CA 3.24Å; N235-G323 WeakPolarHBondContact OD1-CA 3.35Å; N235-G323 PolarHBondContact OD1-N 3.02Å; D321-G323 WeakPolarHBondContact OD1-CA 3.37Å; D321-G323 PolarHBondContact OD1-N 2.88Å |
| 324 | G | 90.2 | Very high | 93 | Very high | 52 Ų | 52 | 38 Ų | 38 | 54% | 0.536 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 102.4 | 11.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D321 | D321-G324 PolarHBondContact OD1-N 2.9Š|
| 325 | L | 92.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | trans | -86 | 149.3 | 168.3 | -51 | 178.8 | 0 | 0 | 0 | 110.3 | N235 N237 I238 T320 D321 | N235-L325 WeakPolarHBondContact ND2-CD1 3.46Å; N235-L325 WeakPolarHBondContact ND2-CG 3.44Å; N235-L325 WeakPolarHBondContact O-CD1 3.4Å; N237-L325 WeakPolarHBondContact O-CD1 3.21Å; I238-L325 HydrophobicContact CB-CB 4.45Å; I238-L325 HydrophobicContact CG2-CB 3.8Å; I238-L325 HydrophobicContact CG2-CD1 3.86Å; I238-L325 HydrophobicContact CG2-CG 4.41Å; T320-L325 WeakPolarHBondContact CA-O 3.44Å; T320-L325 WeakPolarHBondContact CG2-O 3.48Å; D321-L325 PolarHBondContact N-O 2.68Å; D321-L325 PolarHBondContact OD1-N 3.2Å; D321-L325 VanDerWaalsContact OD2-CB 3.23Å; D321-L325 WeakPolarHBondContact OD2-CB 3.39Å; D321-L325 PolarHBondContact OD2-N 2.87Å | ||
| 326 | S | 93.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.2 | -173.6 | 69 | 0 | 0 | 0 | 0 | 114 | E318 A319 | E318-S326 WeakPolarHBondContact OE1-CB 3.41Å; E318-S326 PolarHBondContact OE1-OG 2.74Å; A319-S326 CarbonylContact O-C 3.48Å; A319-S326 WeakPolarHBondContact O-CA 3.44Å |
| 327 | G | 93.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 163 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P239 E318 A319 | P239-G327 WeakPolarHBondContact O-CA 3.38Å; E318-G327 WeakPolarHBondContact CA-O 3.45Å; A319-G327 PolarHBondContact N-O 2.86Å; A319-G327 PolarHBondContact O-N 3.07Å |
| 328 | K | 93.3 | Very high | 93.6 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.4 | -178.2 | -59.6 | -171.1 | -175.2 | -159.6 | 0 | 112.1 | F281 V317 E318 | F281-K328 HydrophobicContact CD1-CD 4.13Å; F281-K328 VanDerWaalsContact CD2-NZ 3.3Å; F281-K328 HydrophobicContact CE1-CD 4.4Å; F281-K328 HydrophobicContact CG-CD 4.43Å; V317-K328 VanDerWaalsContact O-CA 3.29Å; V317-K328 WeakPolarHBondContact O-CA 3.29Å; E318-K328 HydrophobicContact CB-CG 4.38Å; E318-K328 HydrophobicContact CG-CG 4.42Å; E318-K328 WeakPolarHBondContact OE1-CE 3.36Å; E318-K328 IonicContact OE1-NZ 3.48Å; E318-K328 PolarHBondContact OE1-NZ 2.91Å |
| 329 | C | 94.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.5 | 166.2 | 66 | 0 | 0 | 0 | 0 | 109.6 | F241 Q243 E244 Y246 V317 | F241-C329 HydrophobicContact CB-CB 4Å; F241-C329 HydrophobicContact CD1-CB 4.27Å; F241-C329 VanDerWaalsContact CD1-SG 3.51Å; F241-C329 HydrophobicContact CD2-CB 3.8Å; F241-C329 VanDerWaalsContact CE1-SG 3.56Å; F241-C329 HydrophobicContact CE2-CB 4.29Å; F241-C329 HydrophobicContact CG-CB 3.77Å; Q243-C329 WeakPolarHBondContact O-CB 3.33Å; E244-C329 WeakPolarHBondContact O-CA 3.19Å; E244-C329 WeakPolarHBondContact O-CB 3.3Å; Y246-C329 HydrophobicContact CD2-CB 4.23Å; Y246-C329 HydrophobicContact CE2-CB 4.07Å; V317-C329 PolarHBondContact N-O 2.87Å; V317-C329 PolarHBondContact O-N 2.89Å |
| 330 | S | 93.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.4 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | E244 L245 Y246 D316 | E244-S330 PolarHBondContact O-N 2.82Å; L245-S330 WeakPolarHBondContact CA-O 3.1Å; Y246-S330 PolarHBondContact N-O 3.06Å; D316-S330 WeakPolarHBondContact OD1-CB 3.31Å; D316-S330 PolarHBondContact OD1-OG 3.12Å |
| 331 | L | 93.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.1 | 176.6 | 166.7 | 64.4 | 0 | 0 | 0 | 109.1 | Y246 A248 I261 I299 V315 V317 V333 | Y246-L331 WeakPolarHBondContact O-CA 3.39Å; A248-L331 HydrophobicContact CB-CD1 4.19Å; I261-L331 HydrophobicContact CD1-CD1 4.38Å; I261-L331 HydrophobicContact CG2-CD1 3.94Å; I261-L331 HydrophobicContact CG2-CD2 3.85Å; I299-L331 HydrophobicContact CD1-CD2 3.49Å; I299-L331 VanDerWaalsContact CD1-CD2 3.49Å; V315-L331 HydrophobicContact CB-CB 4.49Å; V315-L331 PolarHBondContact N-O 3.48Å; V315-L331 WeakPolarHBondContact O-CB 3.48Å; V315-L331 PolarHBondContact O-N 2.96Å; V317-L331 HydrophobicContact CG2-CB 4.38Å; L331-V333 HydrophobicContact CD1-CG2 4.17Å; L331-V333 HydrophobicContact CD2-CG2 3.86Å; L331-V333 HydrophobicContact CG-CG2 3.78Å |
| 332 | V | 94.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.9 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | L245 Y246 E247 A248 R334 | L245-V332 HydrophobicContact CD1-CG2 3.77Å; Y246-V332 PolarHBondContact O-N 3.47Å; E247-V332 WeakPolarHBondContact CA-O 3.46Å; E247-V332 HydrophobicContact CG-CB 4.43Å; A248-V332 PolarHBondContact N-O 2.93Å; V332-R334 HydrophobicContact CG1-CG 4.24Å |
| 333 | V | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 112.8 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | A248 I250 V260 F290 S312 Y313 L331 | A248-V333 HydrophobicContact CB-CG2 4.49Å; I250-V333 HydrophobicContact CG2-CG1 3.54Å; V260-V333 HydrophobicContact CG1-CG1 3.9Å; V260-V333 HydrophobicContact CG1-CG2 4.12Å; F290-V333 HydrophobicContact CE1-CG1 4.16Å; F290-V333 HydrophobicContact CE1-CG2 4.47Å; F290-V333 HydrophobicContact CE2-CB 4.29Å; F290-V333 HydrophobicContact CE2-CG2 4.11Å; F290-V333 HydrophobicContact CZ-CB 3.88Å; F290-V333 HydrophobicContact CZ-CG1 3.74Å; F290-V333 HydrophobicContact CZ-CG2 3.94Å; S312-V333 CarbonylContact C-O 3.48Å; S312-V333 VanDerWaalsContact CA-O 3.31Å; S312-V333 WeakPolarHBondContact CA-O 3.47Å; Y313-V333 PolarHBondContact N-O 3.22Å; Y313-V333 PolarHBondContact O-N 3.43Å; L331-V333 HydrophobicContact CD1-CG2 4.17Å; L331-V333 HydrophobicContact CD2-CG2 3.86Å; L331-V333 HydrophobicContact CG-CG2 3.78Å |
| 334 | R | 95.4 | Very high | 94 | Very high | 106 Ų | 106 | 44.4 Ų | 44.4 | 40% | 0.4 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.6 | 173.6 | -58.2 | 177.5 | -173.3 | -82 | -4.5 | 108.8 | E247 A248 Q249 I250 V332 | E247-R334 IonicContact OE1-CZ 3.33Å; E247-R334 IonicContact OE1-NE 3.51Å; E247-R334 IonicContact OE1-NH2 3.36Å; E247-R334 PolarHBondContact OE1-NH2 2.72Å; E247-R334 IonicContact OE2-NE 3.78Å; A248-R334 PolarHBondContact O-N 2.72Å; Q249-R334 WeakPolarHBondContact CA-O 3.06Å; Q249-R334 HydrophobicContact CG-CB 4.32Å; I250-R334 PolarHBondContact N-O 2.86Å; I250-R334 VanDerWaalsContact N-O 3.07Å; V332-R334 HydrophobicContact CG1-CG 4.24Å |
| 335 | V | 95.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 140 | 171.9 | -170.9 | 0 | 0 | 0 | 0 | 108.1 | I250 E252 L305 F307 V310 Q311 Y313 | I250-V335 CarbonylContact O-C 3.57Å; I250-V335 WeakPolarHBondContact O-CA 3.26Å; E252-V335 HydrophobicContact CB-CG1 3.7Å; L305-V335 HydrophobicContact CB-CG1 4.35Å; L305-V335 HydrophobicContact CD1-CG1 4.45Å; L305-V335 HydrophobicContact CD1-CG2 4.24Å; F307-V335 HydrophobicContact CB-CG1 4.06Å; F307-V335 HydrophobicContact CD2-CB 4Å; F307-V335 HydrophobicContact CD2-CG1 4.04Å; F307-V335 WeakPolarHBondContact CE2-O 3.39Å; V310-V335 VanDerWaalsContact O-CG2 3.3Å; V310-V335 WeakPolarHBondContact O-CG2 3.5Å; Q311-V335 PolarHBondContact O-N 3.04Å; Y313-V335 HydrophobicContact CD2-CG2 4.17Å; Y313-V335 HydrophobicContact CE2-CG2 3.82Å |
| 336 | L | 94.3 | Very high | 94.2 | Very high | 68 Ų | 68 | 42.8 Ų | 42.8 | 36% | 0.356 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.6 | 172.3 | -58.3 | 179 | 0 | 0 | 0 | 108.9 | Q249 I250 P251 E252 | Q249-L336 HydrophobicContact CB-CD1 4.07Å; Q249-L336 HydrophobicContact CB-CD2 4.35Å; Q249-L336 HydrophobicContact CB-CG 4.2Å; Q249-L336 HydrophobicContact CG-CD2 4.45Å; I250-L336 PolarHBondContact O-N 2.83Å; P251-L336 WeakPolarHBondContact CA-O 3.14Å; E252-L336 PolarHBondContact N-O 3.22Å |
| 337 | D | 94.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | trans | -47.6 | 126.9 | 168.4 | 169.2 | -1.7 | 0 | 0 | 0 | 111.7 | E252 F307 S373 N376 | E252-D337 VanDerWaalsContact OE1-CA 3.29Å; E252-D337 WeakPolarHBondContact OE1-CA 3.23Å; F307-D337 HydrophobicContact CD1-CB 3.85Å; F307-D337 HydrophobicContact CD2-CB 4.04Å; F307-D337 HydrophobicContact CE1-CB 3.9Å; F307-D337 HydrophobicContact CE2-CB 4.09Å; F307-D337 HydrophobicContact CG-CB 3.93Å; F307-D337 HydrophobicContact CZ-CB 4.02Å; D337-S373 VanDerWaalsContact OD2-C 3.25Å; D337-S373 WeakPolarHBondContact OD2-CA 3.47Å; D337-S373 WeakPolarHBondContact OD2-CB 3.18Å; D337-S373 PolarHBondContact OD2-N 2.69Å; D337-S373 VanDerWaalsContact OD2-O 3.06Å; D337-N376 PolarHBondContact OD1-ND2 2.69Å | ||
| 338 | V | 94.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -126.1 | 125.1 | 171.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | P251 E252 N253 D340 | P251-V338 HydrophobicContact CB-CG2 3.82Å; E252-V338 HydrophobicContact CG-CB 4.3Å; E252-V338 HydrophobicContact CG-CG2 4.47Å; E252-V338 PolarHBondContact OE1-N 2.77Å; N253-V338 WeakPolarHBondContact ND2-CG1 3.29Å; V338-D340 PolarHBondContact O-N 2.81Å | ||
| 339 | N | 94.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -56.2 | 88 | -177.9 | -164.2 | 120.7 | 0 | 0 | 0 | 113.9 | D372 N376 D423 G425 L429 | N339-D372 WeakPolarHBondContact CA-OD2 3.38Å; N339-D372 PolarHBondContact OD1-OD2 3.13Å; N339-N376 HydrophobicContact CB-CB 3.85Å; N339-N376 PolarHBondContact N-ND2 3.22Å; N339-N376 VanDerWaalsContact OD1-CA 3.31Å; N339-N376 WeakPolarHBondContact OD1-CA 3.33Å; N339-N376 VanDerWaalsContact OD1-CB 3.28Å; N339-N376 WeakPolarHBondContact OD1-CB 3.46Å; N339-D423 PolarHBondContact ND2-OD2 2.83Å; N339-D423 PolarHBondContact OD1-OD2 2.91Å; N339-G425 WeakPolarHBondContact OD1-CA 3.33Å; N339-G425 PolarHBondContact OD1-N 3.48Å; N339-L429 WeakPolarHBondContact ND2-CD1 3.18Å; N339-L429 WeakPolarHBondContact ND2-CG 3.41Å |
| 340 | D | 93.8 | Very high | 94.2 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | trans | -124.3 | -15.4 | -178.1 | 88.2 | -15.9 | 0 | 0 | 0 | 113.5 | V338 | V338-D340 PolarHBondContact O-N 2.81Š| ||
| 341 | N | 93.7 | Very high | 94.2 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -82.3 | 141.3 | 164.1 | -57.9 | -83.4 | 0 | 0 | 0 | 110.4 | A371 D372 L429 | N341-A371 HydrophobicContact CB-CB 3.95Å; N341-D372 WeakPolarHBondContact CB-OD1 3.17Å; N341-D372 PolarHBondContact N-OD1 2.91Å; N341-D372 VanDerWaalsContact N-OD1 3.13Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å; N341-L429 WeakPolarHBondContact O-CD1 3.23Å |
| 342 | A | 94.3 | Very high | 94.2 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 143.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E344 L429 | A342-E344 PolarHBondContact O-N 2.75Å; A342-L429 HydrophobicContact CB-CB 3.98Å; A342-L429 HydrophobicContact CB-CD1 4.4Å |
| 343 | P | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -53 | 124.4 | -178.1 | -23 | 23 | 0 | 0 | 0 | 113.2 | V368 D370 V379 V421 D423 T431 | P343-V368 HydrophobicContact CB-CG1 4.17Å; P343-D370 WeakPolarHBondContact CA-OD2 3.44Å; P343-D370 WeakPolarHBondContact CD-OD2 3.18Å; P343-D370 WeakPolarHBondContact CG-OD2 3.49Å; P343-V379 HydrophobicContact CB-CG1 3.92Å; P343-V379 HydrophobicContact CG-CG1 3.94Å; P343-V421 HydrophobicContact CB-CB 4.24Å; P343-V421 HydrophobicContact CB-CG1 3.42Å; P343-V421 VanDerWaalsContact CB-CG1 3.42Å; P343-V421 HydrophobicContact CG-CG1 3.95Å; P343-D423 HydrophobicContact CG-CB 3.97Å; P343-T431 WeakPolarHBondContact O-CB 3.2Å; P343-T431 PolarHBondContact O-OG1 2.74Å |
| 344 | E | 93.9 | Very high | 94.2 | Very high | 124 Ų | 124 | 56.1 Ų | 56.1 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.5 | 174.4 | -172.3 | 172.3 | -158.3 | 0 | 0 | 110.9 | A342 V368 S369 | A342-E344 PolarHBondContact O-N 2.75Å; E344-V368 WeakPolarHBondContact O-CA 3.28Å; E344-S369 PolarHBondContact N-O 2.78Å; E344-S369 PolarHBondContact O-N 2.96Å |
| 345 | L | 94.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.7 | 175.8 | -175.7 | 156.4 | 0 | 0 | 0 | 109.9 | M347 F366 I419 V421 Q433 | L345-M347 HydrophobicContact CD2-CE 4.17Å; L345-F366 HydrophobicContact CD1-CD2 3.76Å; L345-F366 HydrophobicContact CD1-CE2 3.81Å; L345-F366 HydrophobicContact CD1-CG 4.48Å; L345-F366 HydrophobicContact CD2-CB 4.19Å; L345-F366 HydrophobicContact CD2-CD2 4.26Å; L345-F366 HydrophobicContact CD2-CG 4.38Å; L345-F366 HydrophobicContact CG-CD2 3.77Å; L345-F366 HydrophobicContact CG-CE2 4.32Å; L345-F366 HydrophobicContact CG-CG 4.37Å; L345-I419 HydrophobicContact CD1-CB 4.09Å; L345-I419 HydrophobicContact CD1-CD1 4.5Å; L345-I419 HydrophobicContact CD1-CG2 3.55Å; L345-V421 HydrophobicContact CD1-CG2 3.9Å; L345-Q433 HydrophobicContact CD1-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CG 4.33Å |
| 346 | T | 93.8 | Very high | 94 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.1 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 111 | S348 F366 S367 | T346-S348 PolarHBondContact O-N 3.23Å; T346-F366 VanDerWaalsContact O-CA 3.27Å; T346-F366 WeakPolarHBondContact O-CA 3.35Å; T346-F366 WeakPolarHBondContact O-CB 3.31Å; T346-S367 PolarHBondContact N-O 3.01Å; T346-S367 PolarHBondContact O-N 3.3Å |
| 347 | M | 93.9 | Very high | 93.6 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110.9 | 177.5 | -166.2 | 70.2 | 66.6 | 0 | 0 | 110.6 | L345 F350 A364 F366 I419 I435 | L345-M347 HydrophobicContact CD2-CE 4.17Å; M347-F350 HydrophobicContact CG-CB 4.3Å; M347-A364 HydrophobicContact SD-CB 3.94Å; M347-F366 HydrophobicContact SD-CB 3.96Å; M347-F366 HydrophobicContact SD-CD1 4.45Å; M347-I419 HydrophobicContact CE-CD1 4.11Å; M347-I435 HydrophobicContact CE-CG2 3.82Å |
| 348 | S | 92.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 55.8 Ų | 55.8 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -34.5 | -178.6 | -65.3 | 0 | 0 | 0 | 0 | 113 | T346 V365 | T346-S348 PolarHBondContact O-N 3.23Å; S348-V365 WeakPolarHBondContact CA-O 3.09Å; S348-V365 WeakPolarHBondContact CB-O 3.46Å; S348-V365 PolarHBondContact N-O 3.48Å |
| 349 | F | 93.4 | Very high | 92.8 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 142.4 | 178.5 | 176.9 | -98 | 0 | 0 | 0 | 110.2 | I351 A364 V365 | F349-I351 HydrophobicContact CE1-CB 4.01Å; F349-I351 HydrophobicContact CE1-CG2 3.85Å; F349-I351 HydrophobicContact CZ-CB 3.9Å; F349-I351 HydrophobicContact CZ-CG2 4.17Å; F349-A364 CarbonylContact O-C 3.54Å; F349-A364 VanDerWaalsContact O-CA 3.26Å; F349-A364 WeakPolarHBondContact O-CA 3.29Å; F349-V365 HydrophobicContact CB-CB 4.07Å; F349-V365 HydrophobicContact CB-CG2 4.23Å; F349-V365 HydrophobicContact CD1-CG2 4.28Å; F349-V365 PolarHBondContact N-O 2.91Å; F349-V365 PolarHBondContact O-N 2.77Å |
| 350 | F | 94.8 | Very high | 92.5 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 133.1 | 174.4 | 175.1 | -115 | 0 | 0 | 0 | 109.4 | M347 V363 A364 I435 V437 | M347-F350 HydrophobicContact CG-CB 4.3Å; F350-V363 WeakPolarHBondContact CA-O 3.2Å; F350-V363 HydrophobicContact CE2-CG1 4.35Å; F350-A364 HydrophobicContact CD2-CB 4.19Å; F350-I435 HydrophobicContact CD2-CD1 4.3Å; F350-I435 HydrophobicContact CE2-CB 4.23Å; F350-I435 HydrophobicContact CE2-CD1 3.98Å; F350-I435 HydrophobicContact CE2-CG1 4.49Å; F350-I435 HydrophobicContact CZ-CB 4.47Å; F350-V437 HydrophobicContact CE2-CG2 4.1Å; F350-V437 HydrophobicContact CZ-CG2 4.5Å |
| 351 | I | 92.7 | Very high | 92.4 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | trans | -122.6 | 128.5 | 175.3 | -173.5 | 167.8 | 0 | 0 | 0 | 110.8 | F349 I354 I362 V363 | F349-I351 HydrophobicContact CE1-CB 4.01Å; F349-I351 HydrophobicContact CE1-CG2 3.85Å; F349-I351 HydrophobicContact CZ-CB 3.9Å; F349-I351 HydrophobicContact CZ-CG2 4.17Å; I351-I354 HydrophobicContact CG1-CG2 4.41Å; I351-I354 HydrophobicContact CG2-CG2 3.93Å; I351-I362 WeakPolarHBondContact CG2-O 3.23Å; I351-V363 PolarHBondContact N-O 3.5Å | ||
| 352 | S | 93.3 | Very high | 92.3 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | trans | -157.9 | 132.2 | 175.1 | -175 | 0 | 0 | 0 | 0 | 107.7 | T436 L438 | S352-T436 PolarHBondContact OG-O 3.43Å; S352-L438 PolarHBondContact OG-N 3.11Å | ||
| 353 | P | 94 | Very high | 92.3 | Very high | 73 Ų | 73 | 59 Ų | 59 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -77 | 166.4 | 0.8 | 34.7 | -37.6 | 0 | 0 | 0 | 113.7 | L438 | P353-L438 CarbonylContact C-O 3.57Å; P353-L438 WeakPolarHBondContact CA-O 2.99Å; P353-L438 HydrophobicContact CB-CB 3.93Å; P353-L438 WeakPolarHBondContact CB-O 3.45Å |
| 354 | I | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.9 | 175.3 | 61 | 177.4 | 0 | 0 | 0 | 111.5 | I351 I361 V363 F389 T403 L407 V437 L438 V439 S440 | I351-I354 HydrophobicContact CG1-CG2 4.41Å; I351-I354 HydrophobicContact CG2-CG2 3.93Å; I354-I361 HydrophobicContact CB-CD1 4.17Å; I354-I361 HydrophobicContact CG2-CG2 4.29Å; I354-V363 HydrophobicContact CD1-CG2 3.75Å; I354-F389 HydrophobicContact CD1-CE1 4.33Å; I354-T403 HydrophobicContact CD1-CG2 4.02Å; I354-L407 HydrophobicContact CD1-CD1 3.77Å; I354-L407 HydrophobicContact CG1-CD1 4.29Å; I354-V437 HydrophobicContact CD1-CG1 3.55Å; I354-V437 HydrophobicContact CG1-CG1 3.85Å; I354-L438 PolarHBondContact N-O 3.08Å; I354-V439 CarbonylContact O-C 3.55Å; I354-V439 WeakPolarHBondContact O-CA 3.29Å; I354-S440 PolarHBondContact O-N 3.19Å; I354-S440 PolarHBondContact O-OG 2.79Å |
| 355 | P | 92.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 54.8 Ų | 54.8 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.1 | 178.5 | 28.3 | -35.9 | 0 | 0 | 0 | 111.8 | L358 I361 S440 V442 | P355-L358 HydrophobicContact CG-CD1 3.9Å; P355-L358 HydrophobicContact CG-CG 4.3Å; P355-I361 HydrophobicContact CG-CD1 3.97Å; P355-I361 VanDerWaalsContact O-CD1 3.29Å; P355-I361 WeakPolarHBondContact O-CD1 3.16Å; P355-S440 VanDerWaalsContact CA-OG 3.29Å; P355-S440 WeakPolarHBondContact CA-OG 3.33Å; P355-V442 HydrophobicContact CB-CG2 4.05Å |
| 356 | E | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -48.1 | -175.8 | 64.8 | -155.8 | 111.5 | 0 | 0 | 113.9 | L358 A406 L407 R409 V439 D441 V442 | E356-L358 PolarHBondContact O-N 2.98Å; E356-A406 CarbonylContact O-C 3.57Å; E356-L407 CarbonylContact C-O 3.49Å; E356-L407 HydrophobicContact CB-CB 4.4Å; E356-L407 PolarHBondContact O-N 2.9Å; E356-L407 VanDerWaalsContact O-O 3.13Å; E356-R409 WeakPolarHBondContact OE2-CB 3.36Å; E356-R409 PolarHBondContact OE2-N 2.89Å; E356-V439 HydrophobicContact CB-CG1 3.52Å; E356-D441 VanDerWaalsContact OE1-CA 3.32Å; E356-D441 WeakPolarHBondContact OE1-CA 3.47Å; E356-V442 HydrophobicContact CG-CB 4.18Å; E356-V442 HydrophobicContact CG-CG2 4.15Å; E356-V442 PolarHBondContact OE1-N 2.89Å |
| 357 | N | 87.2 | Confident | 92.3 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 0.2 | -166.6 | 70 | -12.9 | 0 | 0 | 0 | 115.8 | ||
| 358 | L | 86.8 | Confident | 92.4 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | trans | -103.9 | 122.9 | -177.8 | -59.8 | -176.7 | 0 | 0 | 0 | 111.9 | P355 E356 I361 | P355-L358 HydrophobicContact CG-CD1 3.9Å; P355-L358 HydrophobicContact CG-CG 4.3Å; E356-L358 PolarHBondContact O-N 2.98Å; L358-I361 HydrophobicContact CB-CD1 3.91Å; L358-I361 HydrophobicContact CB-CG1 3.89Å; L358-I361 WeakPolarHBondContact O-CD1 3.21Å; L358-I361 WeakPolarHBondContact O-CG1 3.42Å | ||
| 359 | P | 86.3 | Confident | 92.4 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -77.8 | 164.4 | 168.7 | 34.3 | -35.4 | 0 | 0 | 0 | 111.7 | I361 | P359-I361 VanDerWaalsContact C-N 3.27Å; P359-I361 PolarHBondContact O-N 3.19Å |
| 360 | E | 87.2 | Confident | 92.5 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 56.7 | 27.9 | 175.2 | -53.4 | -159.9 | 109.4 | 0 | 0 | 116 | I362 R392 T403 | E360-I362 PolarHBondContact O-N 3.32Å; E360-R392 IonicContact OE1-CZ 3.43Å; E360-R392 VanDerWaalsContact OE1-CZ 3.28Å; E360-R392 IonicContact OE1-NH1 3.12Å; E360-R392 PolarHBondContact OE1-NH1 3.32Å; E360-R392 IonicContact OE1-NH2 3.86Å; E360-R392 PolarHBondContact OE1-NH2 2.84Å; E360-T403 PolarHBondContact N-O 2.99Å; E360-T403 PolarHBondContact N-OG1 3.07Å; E360-T403 VanDerWaalsContact N-OG1 3.07Å |
| 361 | I | 91.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | trans | -67.8 | 130 | 174 | -52.5 | 171.7 | 0 | 0 | 0 | 109 | I354 P355 L358 P359 V363 V402 T403 | I354-I361 HydrophobicContact CB-CD1 4.17Å; I354-I361 HydrophobicContact CG2-CG2 4.29Å; P355-I361 HydrophobicContact CG-CD1 3.97Å; P355-I361 VanDerWaalsContact O-CD1 3.29Å; P355-I361 WeakPolarHBondContact O-CD1 3.16Å; L358-I361 HydrophobicContact CB-CD1 3.91Å; L358-I361 HydrophobicContact CB-CG1 3.89Å; L358-I361 WeakPolarHBondContact O-CD1 3.21Å; L358-I361 WeakPolarHBondContact O-CG1 3.42Å; P359-I361 VanDerWaalsContact C-N 3.27Å; P359-I361 PolarHBondContact O-N 3.19Å; I361-V363 PolarHBondContact O-N 3.37Å; I361-V402 VanDerWaalsContact O-CA 3.23Å; I361-V402 WeakPolarHBondContact O-CA 3.37Å; I361-T403 HydrophobicContact CB-CG2 4.37Å; I361-T403 PolarHBondContact N-OG1 3.4Å; I361-T403 PolarHBondContact O-N 2.93Å; I361-T403 VanDerWaalsContact O-N 3.11Å | ||
| 362 | I | 92.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 38.8 Ų | 38.8 | 45% | 0.451 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 108.9 | 169 | -57.4 | 171.2 | 0 | 0 | 0 | 108.6 | I351 E360 V365 V402 | I351-I362 WeakPolarHBondContact CG2-O 3.23Å; E360-I362 PolarHBondContact O-N 3.32Å; I362-V365 HydrophobicContact CG2-CG2 3.82Å; I362-V402 HydrophobicContact CG1-CG1 4.07Å |
| 363 | V | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -39.4 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | F350 I351 I354 I361 F389 L401 T403 V437 | F350-V363 WeakPolarHBondContact CA-O 3.2Å; F350-V363 HydrophobicContact CE2-CG1 4.35Å; I351-V363 PolarHBondContact N-O 3.5Å; I354-V363 HydrophobicContact CD1-CG2 3.75Å; I361-V363 PolarHBondContact O-N 3.37Å; V363-F389 HydrophobicContact CG2-CD1 4.19Å; V363-F389 HydrophobicContact CG2-CE1 4.06Å; V363-L401 HydrophobicContact CB-CD2 4.42Å; V363-L401 HydrophobicContact CB-CG 4.5Å; V363-L401 PolarHBondContact N-O 3.05Å; V363-T403 HydrophobicContact CG2-CG2 4.08Å; V363-V437 HydrophobicContact CG1-CB 4.5Å; V363-V437 HydrophobicContact CG1-CG1 3.98Å; V363-V437 HydrophobicContact CG1-CG2 3.64Å |
| 364 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 150.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M347 F349 F350 T400 L401 I435 | M347-A364 HydrophobicContact SD-CB 3.94Å; F349-A364 CarbonylContact O-C 3.54Å; F349-A364 VanDerWaalsContact O-CA 3.26Å; F349-A364 WeakPolarHBondContact O-CA 3.29Å; F350-A364 HydrophobicContact CD2-CB 4.19Å; A364-T400 WeakPolarHBondContact O-CA 3.38Å; A364-L401 HydrophobicContact CB-CB 3.97Å; A364-L401 HydrophobicContact CB-CD2 4.23Å; A364-L401 PolarHBondContact N-O 2.9Å; A364-L401 PolarHBondContact O-N 2.83Å; A364-I435 HydrophobicContact CB-CD1 4.45Å |
| 365 | V | 94.1 | Very high | 92 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.6 | 167.9 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | S348 F349 I362 Y399 T400 | S348-V365 WeakPolarHBondContact CA-O 3.09Å; S348-V365 WeakPolarHBondContact CB-O 3.46Å; S348-V365 PolarHBondContact N-O 3.48Å; F349-V365 HydrophobicContact CB-CB 4.07Å; F349-V365 HydrophobicContact CB-CG2 4.23Å; F349-V365 HydrophobicContact CD1-CG2 4.28Å; F349-V365 PolarHBondContact N-O 2.91Å; F349-V365 PolarHBondContact O-N 2.77Å; I362-V365 HydrophobicContact CG2-CG2 3.82Å; V365-Y399 WeakPolarHBondContact CA-O 3.46Å; V365-T400 HydrophobicContact CG1-CG2 4.2Å; V365-T400 HydrophobicContact CG2-CG2 4.15Å |
| 366 | F | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.2 | -179.4 | 61.3 | -86.8 | 0 | 0 | 0 | 110.6 | L345 T346 M347 V368 L391 Y399 I419 | L345-F366 HydrophobicContact CD1-CD2 3.76Å; L345-F366 HydrophobicContact CD1-CE2 3.81Å; L345-F366 HydrophobicContact CD1-CG 4.48Å; L345-F366 HydrophobicContact CD2-CB 4.19Å; L345-F366 HydrophobicContact CD2-CD2 4.26Å; L345-F366 HydrophobicContact CD2-CG 4.38Å; L345-F366 HydrophobicContact CG-CD2 3.77Å; L345-F366 HydrophobicContact CG-CE2 4.32Å; L345-F366 HydrophobicContact CG-CG 4.37Å; T346-F366 VanDerWaalsContact O-CA 3.27Å; T346-F366 WeakPolarHBondContact O-CA 3.35Å; T346-F366 WeakPolarHBondContact O-CB 3.31Å; M347-F366 HydrophobicContact SD-CB 3.96Å; M347-F366 HydrophobicContact SD-CD1 4.45Å; F366-V368 HydrophobicContact CD2-CG2 4.09Å; F366-V368 HydrophobicContact CE2-CG2 4.03Å; F366-L391 HydrophobicContact CE1-CD2 3.74Å; F366-L391 HydrophobicContact CZ-CD2 3.63Å; F366-Y399 HydrophobicContact CD2-CD2 4.48Å; F366-Y399 AromaticContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CG 4.01Å; F366-Y399 VanDerWaalsContact CZ-CB 3.46Å; F366-Y399 HydrophobicContact CZ-CG 4.1Å; F366-Y399 PolarHBondContact N-O 2.83Å; F366-Y399 VanDerWaalsContact N-O 3.07Å; F366-Y399 PolarHBondContact O-N 3.42Å; F366-I419 HydrophobicContact CD1-CD1 4.12Å; F366-I419 HydrophobicContact CE1-CD1 3.72Å; F366-I419 HydrophobicContact CE1-CG2 4.43Å; F366-I419 HydrophobicContact CE2-CG2 3.9Å; F366-I419 HydrophobicContact CZ-CD1 4.04Å; F366-I419 HydrophobicContact CZ-CG1 4.49Å; F366-I419 HydrophobicContact CZ-CG2 3.64Å |
| 367 | S | 94.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 151.2 | 170 | 54.6 | 0 | 0 | 0 | 0 | 109.8 | T346 | T346-S367 PolarHBondContact N-O 3.01Å; T346-S367 PolarHBondContact O-N 3.3Å |
| 368 | V | 94.8 | Very high | 92 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.7 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | P343 E344 F366 V379 N397 Y399 V421 | P343-V368 HydrophobicContact CB-CG1 4.17Å; E344-V368 WeakPolarHBondContact O-CA 3.28Å; F366-V368 HydrophobicContact CD2-CG2 4.09Å; F366-V368 HydrophobicContact CE2-CG2 4.03Å; V368-V379 HydrophobicContact CB-CG2 4.24Å; V368-V379 HydrophobicContact CG1-CB 3.99Å; V368-V379 HydrophobicContact CG1-CG1 3.85Å; V368-V379 HydrophobicContact CG1-CG2 3.73Å; V368-N397 HydrophobicContact CB-CB 4.45Å; V368-N397 PolarHBondContact N-O 3.41Å; V368-N397 WeakPolarHBondContact O-CB 3.33Å; V368-Y399 HydrophobicContact CB-CE2 4.33Å; V368-Y399 HydrophobicContact CG2-CD2 3.95Å; V368-Y399 HydrophobicContact CG2-CE2 3.94Å; V368-V421 HydrophobicContact CG1-CG1 3.5Å; V368-V421 HydrophobicContact CG1-CG2 4.41Å; V368-V421 HydrophobicContact CG2-CG1 4.3Å; V368-V421 HydrophobicContact CG2-CG2 3.82Å |
| 369 | S | 93.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.6 | 175.6 | 44.5 | 0 | 0 | 0 | 0 | 109.5 | E344 | E344-S369 PolarHBondContact N-O 2.78Å; E344-S369 PolarHBondContact O-N 2.96Å |
| 370 | D | 94.9 | Very high | 92.6 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | trans | -128.4 | 140.2 | 172 | -152.2 | -39.5 | 0 | 0 | 0 | 108 | P343 D372 Q377 V379 | P343-D370 WeakPolarHBondContact CA-OD2 3.44Å; P343-D370 WeakPolarHBondContact CD-OD2 3.18Å; P343-D370 WeakPolarHBondContact CG-OD2 3.49Å; D370-D372 PolarHBondContact OD1-N 2.91Å; D370-Q377 HydrophobicContact CB-CG 4.04Å; D370-Q377 PolarHBondContact O-NE2 3.39Å; D370-Q377 VanDerWaalsContact O-NE2 3.08Å; D370-V379 HydrophobicContact CB-CG1 4.18Å | ||
| 371 | A | 93.7 | Very high | 92.9 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -85.5 | -30.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E308 N341 | E308-A371 HydrophobicContact CG-CB 4.09Å; N341-A371 HydrophobicContact CB-CB 3.95Å |
| 372 | D | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -57.2 | 174.6 | 173.6 | -58.3 | -15.1 | 0 | 0 | 0 | 111.6 | N339 N341 D370 N376 Q377 | N339-D372 WeakPolarHBondContact CA-OD2 3.38Å; N339-D372 PolarHBondContact OD1-OD2 3.13Å; N341-D372 WeakPolarHBondContact CB-OD1 3.17Å; N341-D372 PolarHBondContact N-OD1 2.91Å; N341-D372 VanDerWaalsContact N-OD1 3.13Å; N341-D372 PolarHBondContact ND2-OD1 3.48Å; D370-D372 PolarHBondContact OD1-N 2.91Å; D372-N376 HydrophobicContact CB-CB 3.53Å; D372-Q377 WeakPolarHBondContact O-CB 3.46Å; D372-Q377 WeakPolarHBondContact O-CG 3.18Å; D372-Q377 PolarHBondContact O-NE2 2.65Å |
| 373 | S | 91.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | trans | -120.2 | 170.7 | -177.6 | -78 | 0 | 0 | 0 | 0 | 114.7 | D337 H375 N376 Q377 | D337-S373 VanDerWaalsContact OD2-C 3.25Å; D337-S373 WeakPolarHBondContact OD2-CA 3.47Å; D337-S373 WeakPolarHBondContact OD2-CB 3.18Å; D337-S373 PolarHBondContact OD2-N 2.69Å; D337-S373 VanDerWaalsContact OD2-O 3.06Å; S373-H375 PolarHBondContact O-N 3.21Å; S373-N376 WeakPolarHBondContact O-CB 3.03Å; S373-N376 PolarHBondContact O-N 3.22Å; S373-Q377 PolarHBondContact O-N 2.73Å | ||
| 374 | G | 89.3 | Confident | 93.1 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -101.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q378 | G374-Q378 WeakPolarHBondContact O-CG 3.16Å; G374-Q378 PolarHBondContact O-NE2 2.92Å |
| 375 | H | 89.7 | Confident | 92.6 | Very high | 102 Ų | 102 | 49 Ų | 49 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -27.6 | 177.9 | -166.3 | 47.8 | 0 | 0 | 0 | 112.7 | S373 Q378 L424 | S373-H375 PolarHBondContact O-N 3.21Å; H375-Q378 PolarHBondContact ND1-OE1 2.84Å; H375-Q378 WeakPolarHBondContact O-CB 3.21Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-L424 PolarHBondContact NE2-O 3.03Å |
| 376 | N | 90.7 | Very high | 92.3 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -47.1 | 177.8 | -61.7 | -11.2 | 0 | 0 | 0 | 108.6 | D337 N339 D372 S373 Q378 D423 G425 | D337-N376 PolarHBondContact OD1-ND2 2.69Å; N339-N376 HydrophobicContact CB-CB 3.85Å; N339-N376 PolarHBondContact N-ND2 3.22Å; N339-N376 VanDerWaalsContact OD1-CA 3.31Å; N339-N376 WeakPolarHBondContact OD1-CA 3.33Å; N339-N376 VanDerWaalsContact OD1-CB 3.28Å; N339-N376 WeakPolarHBondContact OD1-CB 3.46Å; D372-N376 HydrophobicContact CB-CB 3.53Å; S373-N376 WeakPolarHBondContact O-CB 3.03Å; S373-N376 PolarHBondContact O-N 3.22Å; N376-Q378 PolarHBondContact O-N 2.78Å; N376-D423 WeakPolarHBondContact O-CB 3.47Å; N376-G425 WeakPolarHBondContact OD1-CA 3.1Å |
| 377 | Q | 91.3 | Very high | 92.2 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -15.3 | 174.1 | -152.2 | 173.3 | 39.4 | 0 | 0 | 117 | D370 D372 S373 V379 | D370-Q377 HydrophobicContact CB-CG 4.04Å; D370-Q377 PolarHBondContact O-NE2 3.39Å; D370-Q377 VanDerWaalsContact O-NE2 3.08Å; D372-Q377 WeakPolarHBondContact O-CB 3.46Å; D372-Q377 WeakPolarHBondContact O-CG 3.18Å; D372-Q377 PolarHBondContact O-NE2 2.65Å; S373-Q377 PolarHBondContact O-N 2.73Å; Q377-V379 PolarHBondContact O-N 2.8Å |
| 378 | Q | 91.1 | Very high | 92.1 | Very high | 96 Ų | 96 | 55.2 Ų | 55.2 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | trans | -82.9 | 117.5 | -171.1 | -68.3 | 174.5 | 23.4 | 0 | 0 | 111.1 | G374 H375 N376 D423 L424 | G374-Q378 WeakPolarHBondContact O-CG 3.16Å; G374-Q378 PolarHBondContact O-NE2 2.92Å; H375-Q378 PolarHBondContact ND1-OE1 2.84Å; H375-Q378 WeakPolarHBondContact O-CB 3.21Å; H375-Q378 PolarHBondContact O-N 3.01Å; N376-Q378 PolarHBondContact O-N 2.78Å; Q378-D423 CarbonylContact O-C 3.51Å; Q378-D423 WeakPolarHBondContact O-CA 3.26Å; Q378-L424 HydrophobicContact CB-CB 4.19Å; Q378-L424 HydrophobicContact CB-CD1 3.8Å; Q378-L424 HydrophobicContact CB-CG 4.21Å; Q378-L424 WeakPolarHBondContact O-CB 3.35Å; Q378-L424 VanDerWaalsContact O-CG 3.31Å; Q378-L424 WeakPolarHBondContact O-CG 3.38Å; Q378-L424 PolarHBondContact O-N 3.07Å | ||
| 379 | V | 92.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | trans | -104.2 | 143.9 | -172.6 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | P343 V368 D370 Q377 N397 V421 | P343-V379 HydrophobicContact CB-CG1 3.92Å; P343-V379 HydrophobicContact CG-CG1 3.94Å; V368-V379 HydrophobicContact CB-CG2 4.24Å; V368-V379 HydrophobicContact CG1-CB 3.99Å; V368-V379 HydrophobicContact CG1-CG1 3.85Å; V368-V379 HydrophobicContact CG1-CG2 3.73Å; D370-V379 HydrophobicContact CB-CG1 4.18Å; Q377-V379 PolarHBondContact O-N 2.8Å; V379-N397 HydrophobicContact CG2-CB 4.41Å; V379-V421 HydrophobicContact CB-CG1 4.06Å; V379-V421 HydrophobicContact CG1-CG1 4.23Å | ||
| 380 | I | 92.8 | Very high | 92.1 | Very high | 88 Ų | 88 | 56 Ų | 56 | 45% | 0.451 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.9 | 166.4 | -62 | -176.2 | 0 | 0 | 0 | 108.4 | V421 T422 L424 | I380-V421 WeakPolarHBondContact O-CA 3.43Å; I380-T422 PolarHBondContact N-O 3.15Å; I380-T422 PolarHBondContact O-N 3.45Å; I380-L424 HydrophobicContact CD1-CD2 3.78Å; I380-L424 HydrophobicContact CG1-CD2 4.24Å |
| 381 | C | 94 | Very high | 92.1 | Very high | 19 Ų | 19 | 57 Ų | 57 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 141.8 | 174.8 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | L391 Y399 I419 | C381-L391 HydrophobicContact CB-CD1 4.34Å; C381-L391 VanDerWaalsContact SG-CD1 3.58Å; C381-Y399 HydrophobicContact CB-CD1 4Å; C381-Y399 HydrophobicContact CB-CD2 4.21Å; C381-Y399 HydrophobicContact CB-CE1 3.58Å; C381-Y399 HydrophobicContact CB-CE2 3.81Å; C381-Y399 HydrophobicContact CB-CG 4.3Å; C381-Y399 VanDerWaalsContact CB-CZ 3.49Å; C381-I419 VanDerWaalsContact SG-CG2 3.58Å |
| 382 | S | 93.9 | Very high | 92 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.9 | -176.2 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | T420 | S382-T420 PolarHBondContact N-O 3.39Å; S382-T420 PolarHBondContact O-N 3.39Å; S382-T420 PolarHBondContact OG-O 3.23Å |
| 383 | I | 95.2 | Very high | 91.8 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | trans | -134.9 | 170.6 | 174.7 | 48.6 | 169.1 | 0 | 0 | 0 | 109.5 | N385 F389 L391 L401 I417 I419 | I383-N385 PolarHBondContact O-N 2.92Å; I383-F389 HydrophobicContact CD1-CB 4.22Å; I383-F389 VanDerWaalsContact CD1-O 3.3Å; I383-F389 WeakPolarHBondContact CD1-O 3.48Å; I383-L391 HydrophobicContact CD1-CG 4.15Å; I383-L391 HydrophobicContact CG1-CD1 4.17Å; I383-L391 HydrophobicContact CG1-CG 4.09Å; I383-L391 HydrophobicContact CG2-CD1 3.92Å; I383-L391 HydrophobicContact CG2-CD2 4.43Å; I383-L391 HydrophobicContact CG2-CG 4.08Å; I383-L401 HydrophobicContact CD1-CD1 3.96Å; I383-I417 HydrophobicContact CB-CG2 4.31Å; I383-I417 HydrophobicContact CG2-CG2 3.78Å; I383-I419 HydrophobicContact CG2-CG1 4.06Å | ||
| 384 | E | 92.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | trans | -66.5 | 122 | 177.6 | -58.8 | 102.3 | 152.6 | 0 | 0 | 112.6 | N386 L387 T418 | E384-N386 WeakPolarHBondContact CB-OD1 3.31Å; E384-N386 PolarHBondContact O-N 2.88Å; E384-L387 HydrophobicContact CB-CD1 4.05Å; E384-L387 HydrophobicContact CB-CG 4.12Å; E384-L387 PolarHBondContact O-N 2.83Å; E384-L387 WeakPolarHBondContact OE2-CD1 3.18Å; E384-T418 WeakPolarHBondContact OE1-CB 3.08Å; E384-T418 PolarHBondContact OE1-N 3.48Å; E384-T418 PolarHBondContact OE1-OG1 2.91Å; E384-T418 PolarHBondContact OE2-N 3.33Å | ||
| 385 | N | 84.8 | Confident | 91.1 | Very high | 173 Ų | 173 | 68.4 Ų | 68.4 | 93% | 0.925 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -3 | -177.4 | -67.7 | -16.5 | 0 | 0 | 0 | 116 | I383 | I383-N385 PolarHBondContact O-N 2.92Š|
| 386 | N | 88.3 | Confident | 90.7 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 10.4 | -177.6 | 69.8 | -16.4 | 0 | 0 | 0 | 113.4 | E384 | E384-N386 WeakPolarHBondContact CB-OD1 3.31Å; E384-N386 PolarHBondContact O-N 2.88Å |
| 387 | L | 92.4 | Very high | 90.5 | Very high | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -109.1 | 146 | -179.4 | -51.8 | -178.7 | 0 | 0 | 0 | 110.5 | E384 F389 Y415 I417 | E384-L387 HydrophobicContact CB-CD1 4.05Å; E384-L387 HydrophobicContact CB-CG 4.12Å; E384-L387 PolarHBondContact O-N 2.83Å; E384-L387 WeakPolarHBondContact OE2-CD1 3.18Å; L387-F389 HydrophobicContact CB-CD2 3.93Å; L387-F389 PolarHBondContact O-N 3.08Å; L387-Y415 HydrophobicContact CD2-CD1 4.42Å; L387-I417 HydrophobicContact CD1-CB 4.26Å; L387-I417 HydrophobicContact CD1-CG1 3.99Å; L387-I417 HydrophobicContact CD1-CG2 4.26Å |
| 388 | P | 93.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 73 Ų | 73 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -79.5 | 44.6 | -177.3 | 35.3 | -38.5 | 0 | 0 | 0 | 112.8 | D404 L407 Y415 | P388-D404 PolarHBondContact O-N 2.88Å; P388-L407 HydrophobicContact CB-CD2 3.92Å; P388-L407 HydrophobicContact CG-CD2 3.47Å; P388-L407 VanDerWaalsContact CG-CD2 3.47Å; P388-Y415 VanDerWaalsContact CD-CE1 3.42Å; P388-Y415 HydrophobicContact CG-CD1 4.27Å; P388-Y415 HydrophobicContact CG-CE1 3.55Å |
| 389 | F | 94.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.5 | -179.8 | -55 | -93.5 | 0 | 0 | 0 | 110.2 | I354 V363 I383 L387 L401 V402 T403 L407 Y415 I417 V437 | I354-F389 HydrophobicContact CD1-CE1 4.33Å; V363-F389 HydrophobicContact CG2-CD1 4.19Å; V363-F389 HydrophobicContact CG2-CE1 4.06Å; I383-F389 HydrophobicContact CD1-CB 4.22Å; I383-F389 VanDerWaalsContact CD1-O 3.3Å; I383-F389 WeakPolarHBondContact CD1-O 3.48Å; L387-F389 HydrophobicContact CB-CD2 3.93Å; L387-F389 PolarHBondContact O-N 3.08Å; F389-L401 HydrophobicContact CB-CD1 3.88Å; F389-L401 HydrophobicContact CB-CG 4.49Å; F389-V402 CarbonylContact C-O 3.52Å; F389-V402 WeakPolarHBondContact CA-O 3.46Å; F389-V402 WeakPolarHBondContact CB-O 3.09Å; F389-T403 HydrophobicContact CD1-CG2 3.95Å; F389-T403 HydrophobicContact CE1-CG2 3.75Å; F389-L407 HydrophobicContact CE1-CD1 4.38Å; F389-L407 HydrophobicContact CZ-CD1 4.17Å; F389-Y415 AromaticContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD2 4.25Å; F389-Y415 HydrophobicContact CE2-CE1 4.31Å; F389-Y415 AromaticContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CZ-CD1 4.38Å; F389-Y415 HydrophobicContact CZ-CD2 4.12Å; F389-Y415 AromaticContact CZ-CG 3.92Å; F389-Y415 HydrophobicContact CZ-CG 3.92Å; F389-I417 HydrophobicContact CD1-CD1 4.05Å; F389-I417 HydrophobicContact CD2-CD1 3.65Å; F389-I417 HydrophobicContact CD2-CG1 4.29Å; F389-I417 HydrophobicContact CE1-CD1 4.07Å; F389-I417 HydrophobicContact CE2-CD1 3.69Å; F389-I417 HydrophobicContact CE2-CG1 4.27Å; F389-I417 HydrophobicContact CG-CD1 3.85Å; F389-I417 HydrophobicContact CZ-CD1 3.91Å; F389-V437 HydrophobicContact CE1-CG1 4.42Å; F389-V437 HydrophobicContact CZ-CG1 4.36Å |
| 390 | L | 93.2 | Very high | 90.8 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.2 | 171.4 | -79.2 | 87.7 | 0 | 0 | 0 | 110.9 | L401 V402 D404 | L390-L401 WeakPolarHBondContact O-CA 3.47Å; L390-V402 HydrophobicContact CB-CG2 4.13Å; L390-V402 PolarHBondContact N-O 2.92Å; L390-V402 PolarHBondContact O-N 2.66Å; L390-D404 HydrophobicContact CD1-CB 3.38Å; L390-D404 WeakPolarHBondContact CD1-OD1 3.19Å |
| 391 | L | 93.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.1 | 159.2 | -70.3 | 174.8 | 0 | 0 | 0 | 109.2 | F366 C381 I383 L401 | F366-L391 HydrophobicContact CE1-CD2 3.74Å; F366-L391 HydrophobicContact CZ-CD2 3.63Å; C381-L391 HydrophobicContact CB-CD1 4.34Å; C381-L391 VanDerWaalsContact SG-CD1 3.58Å; I383-L391 HydrophobicContact CD1-CG 4.15Å; I383-L391 HydrophobicContact CG1-CD1 4.17Å; I383-L391 HydrophobicContact CG1-CG 4.09Å; I383-L391 HydrophobicContact CG2-CD1 3.92Å; I383-L391 HydrophobicContact CG2-CD2 4.43Å; I383-L391 HydrophobicContact CG2-CG 4.08Å; L391-L401 HydrophobicContact CD2-CB 4.31Å; L391-L401 HydrophobicContact CD2-CD1 3.86Å; L391-L401 HydrophobicContact CG-CD1 4.37Å |
| 392 | R | 91.9 | Very high | 90.9 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 41% | 0.411 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 110.4 | 166.1 | -70.4 | -178.6 | -176.6 | 175.8 | 4.8 | 108.6 | E360 T400 V402 | E360-R392 IonicContact OE1-CZ 3.43Å; E360-R392 VanDerWaalsContact OE1-CZ 3.28Å; E360-R392 IonicContact OE1-NH1 3.12Å; E360-R392 PolarHBondContact OE1-NH1 3.32Å; E360-R392 IonicContact OE1-NH2 3.86Å; E360-R392 PolarHBondContact OE1-NH2 2.84Å; R392-T400 WeakPolarHBondContact CB-OG1 3.5Å; R392-T400 PolarHBondContact N-O 2.9Å; R392-T400 PolarHBondContact O-N 3.01Å; R392-T400 PolarHBondContact O-OG1 2.89Å; R392-V402 HydrophobicContact CG-CG2 4.03Å |
| 393 | P | 91.3 | Very high | 90.9 | Very high | 96 Ų | 96 | 62.9 Ų | 62.9 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 149.8 | 172.6 | 29 | -33.9 | 0 | 0 | 0 | 110.6 | Y399 | P393-Y399 HydrophobicContact CB-CD1 4.03Å; P393-Y399 HydrophobicContact CB-CE1 3.83Å |
| 394 | S | 83.3 | Confident | 90.7 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | trans | -120.8 | -153.1 | 178.5 | -166.1 | 0 | 0 | 0 | 0 | 109.5 | F398 | S394-F398 WeakPolarHBondContact CA-O 3.32Å; S394-F398 WeakPolarHBondContact CB-O 3.34Å; S394-F398 PolarHBondContact N-O 2.91Å | ||
| 395 | V | 83.2 | Confident | 90.5 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 62% | 0.624 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72 | 155.6 | 172.6 | -140.8 | 0 | 0 | 0 | 0 | 110.7 | N397 F398 | V395-N397 PolarHBondContact O-N 2.82Å; V395-N397 VanDerWaalsContact O-N 3.17Å; V395-F398 WeakPolarHBondContact O-CB 3.49Å; V395-F398 WeakPolarHBondContact O-CD2 3.36Å; V395-F398 PolarHBondContact O-N 2.83Å |
| 396 | E | 80.2 | Confident | 90.8 | Very high | 161 Ų | 161 | 59.7 Ų | 59.7 | 75% | 0.752 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 49.7 | 163.8 | -66.8 | 174 | -168.2 | 0 | 0 | 115.7 | F398 | E396-F398 HydrophobicContact CB-CD2 4.23Å; E396-F398 HydrophobicContact CB-CE2 4.42Å; E396-F398 VanDerWaalsContact O-CD2 3.28Å; E396-F398 WeakPolarHBondContact O-CD2 3.49Å; E396-F398 PolarHBondContact O-N 3.26Å |
| 397 | N | 88.1 | Confident | 91 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 20.6 | -179.1 | -60.4 | -19.4 | 0 | 0 | 0 | 115.3 | V368 V379 V395 Y399 | V368-N397 HydrophobicContact CB-CB 4.45Å; V368-N397 PolarHBondContact N-O 3.41Å; V368-N397 WeakPolarHBondContact O-CB 3.33Å; V379-N397 HydrophobicContact CG2-CB 4.41Å; V395-N397 PolarHBondContact O-N 2.82Å; V395-N397 VanDerWaalsContact O-N 3.17Å; N397-Y399 VanDerWaalsContact O-CD2 3.23Å; N397-Y399 WeakPolarHBondContact O-CD2 3.42Å; N397-Y399 WeakPolarHBondContact O-CE2 3.47Å |
| 398 | F | 92.6 | Very high | 91.1 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.4 | 165.4 | -73.6 | -99.3 | 0 | 0 | 0 | 110.4 | S394 V395 E396 | S394-F398 WeakPolarHBondContact CA-O 3.32Å; S394-F398 WeakPolarHBondContact CB-O 3.34Å; S394-F398 PolarHBondContact N-O 2.91Å; V395-F398 WeakPolarHBondContact O-CB 3.49Å; V395-F398 WeakPolarHBondContact O-CD2 3.36Å; V395-F398 PolarHBondContact O-N 2.83Å; E396-F398 HydrophobicContact CB-CD2 4.23Å; E396-F398 HydrophobicContact CB-CE2 4.42Å; E396-F398 VanDerWaalsContact O-CD2 3.28Å; E396-F398 WeakPolarHBondContact O-CD2 3.49Å; E396-F398 PolarHBondContact O-N 3.26Å |
| 399 | Y | 94.2 | Very high | 91.2 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.9 | 177.9 | -67.4 | -91.2 | 0 | 0 | 0 | 110.3 | V365 F366 V368 C381 P393 N397 | V365-Y399 WeakPolarHBondContact CA-O 3.46Å; F366-Y399 HydrophobicContact CD2-CD2 4.48Å; F366-Y399 AromaticContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CD2 3.95Å; F366-Y399 HydrophobicContact CE2-CG 4.01Å; F366-Y399 VanDerWaalsContact CZ-CB 3.46Å; F366-Y399 HydrophobicContact CZ-CG 4.1Å; F366-Y399 PolarHBondContact N-O 2.83Å; F366-Y399 VanDerWaalsContact N-O 3.07Å; F366-Y399 PolarHBondContact O-N 3.42Å; V368-Y399 HydrophobicContact CB-CE2 4.33Å; V368-Y399 HydrophobicContact CG2-CD2 3.95Å; V368-Y399 HydrophobicContact CG2-CE2 3.94Å; C381-Y399 HydrophobicContact CB-CD1 4Å; C381-Y399 HydrophobicContact CB-CD2 4.21Å; C381-Y399 HydrophobicContact CB-CE1 3.58Å; C381-Y399 HydrophobicContact CB-CE2 3.81Å; C381-Y399 HydrophobicContact CB-CG 4.3Å; C381-Y399 VanDerWaalsContact CB-CZ 3.49Å; P393-Y399 HydrophobicContact CB-CD1 4.03Å; P393-Y399 HydrophobicContact CB-CE1 3.83Å; N397-Y399 VanDerWaalsContact O-CD2 3.23Å; N397-Y399 WeakPolarHBondContact O-CD2 3.42Å; N397-Y399 WeakPolarHBondContact O-CE2 3.47Å |
| 400 | T | 94.1 | Very high | 91.2 | Very high | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.7 | 172.7 | 57.1 | 0 | 0 | 0 | 0 | 109 | A364 V365 R392 | A364-T400 WeakPolarHBondContact O-CA 3.38Å; V365-T400 HydrophobicContact CG1-CG2 4.2Å; V365-T400 HydrophobicContact CG2-CG2 4.15Å; R392-T400 WeakPolarHBondContact CB-OG1 3.5Å; R392-T400 PolarHBondContact N-O 2.9Å; R392-T400 PolarHBondContact O-N 3.01Å; R392-T400 PolarHBondContact O-OG1 2.89Å |
| 401 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.4 | 173.8 | -176.2 | 68.9 | 0 | 0 | 0 | 108.2 | V363 A364 I383 F389 L390 L391 I417 I435 | V363-L401 HydrophobicContact CB-CD2 4.42Å; V363-L401 HydrophobicContact CB-CG 4.5Å; V363-L401 PolarHBondContact N-O 3.05Å; A364-L401 HydrophobicContact CB-CB 3.97Å; A364-L401 HydrophobicContact CB-CD2 4.23Å; A364-L401 PolarHBondContact N-O 2.9Å; A364-L401 PolarHBondContact O-N 2.83Å; I383-L401 HydrophobicContact CD1-CD1 3.96Å; F389-L401 HydrophobicContact CB-CD1 3.88Å; F389-L401 HydrophobicContact CB-CG 4.49Å; L390-L401 WeakPolarHBondContact O-CA 3.47Å; L391-L401 HydrophobicContact CD2-CB 4.31Å; L391-L401 HydrophobicContact CD2-CD1 3.86Å; L391-L401 HydrophobicContact CG-CD1 4.37Å; L401-I417 HydrophobicContact CD2-CD1 3.89Å; L401-I435 HydrophobicContact CD2-CD1 3.74Å |
| 402 | V | 94 | Very high | 91.1 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 154.8 | -178.7 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | I361 I362 F389 L390 R392 | I361-V402 VanDerWaalsContact O-CA 3.23Å; I361-V402 WeakPolarHBondContact O-CA 3.37Å; I362-V402 HydrophobicContact CG1-CG1 4.07Å; F389-V402 CarbonylContact C-O 3.52Å; F389-V402 WeakPolarHBondContact CA-O 3.46Å; F389-V402 WeakPolarHBondContact CB-O 3.09Å; L390-V402 HydrophobicContact CB-CG2 4.13Å; L390-V402 PolarHBondContact N-O 2.92Å; L390-V402 PolarHBondContact O-N 2.66Å; R392-V402 HydrophobicContact CG-CG2 4.03Å |
| 403 | T | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 139.2 | 167.5 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | I354 E360 I361 V363 F389 G405 L407 | I354-T403 HydrophobicContact CD1-CG2 4.02Å; E360-T403 PolarHBondContact N-O 2.99Å; E360-T403 PolarHBondContact N-OG1 3.07Å; E360-T403 VanDerWaalsContact N-OG1 3.07Å; I361-T403 HydrophobicContact CB-CG2 4.37Å; I361-T403 PolarHBondContact N-OG1 3.4Å; I361-T403 PolarHBondContact O-N 2.93Å; I361-T403 VanDerWaalsContact O-N 3.11Å; V363-T403 HydrophobicContact CG2-CG2 4.08Å; F389-T403 HydrophobicContact CD1-CG2 3.95Å; F389-T403 HydrophobicContact CE1-CG2 3.75Å; T403-G405 WeakPolarHBondContact CB-O 3.23Å; T403-G405 PolarHBondContact OG1-O 3.31Å; T403-L407 HydrophobicContact CG2-CD1 4Å; T403-L407 HydrophobicContact CG2-CD2 4.38Å; T403-L407 HydrophobicContact CG2-CG 4.17Å |
| 404 | D | 90.7 | Very high | 91.3 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -70.9 | -39.8 | 176.3 | -168.6 | 22.6 | 0 | 0 | 0 | 111.4 | P388 L390 | P388-D404 PolarHBondContact O-N 2.88Å; L390-D404 HydrophobicContact CD1-CB 3.38Å; L390-D404 WeakPolarHBondContact CD1-OD1 3.19Å |
| 405 | G | 89 | Confident | 91.9 | Very high | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -148.9 | -167.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T403 | T403-G405 WeakPolarHBondContact CB-O 3.23Å; T403-G405 PolarHBondContact OG1-O 3.31Å |
| 406 | A | 89.8 | Confident | 92.4 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | trans | -63.1 | 141.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E356 | E356-A406 CarbonylContact O-C 3.57Š| ||
| 407 | L | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | trans | -88.9 | 174.3 | 169.1 | -53.1 | -179.8 | 0 | 0 | 0 | 109.3 | I354 E356 P388 F389 T403 Y415 V439 | I354-L407 HydrophobicContact CD1-CD1 3.77Å; I354-L407 HydrophobicContact CG1-CD1 4.29Å; E356-L407 CarbonylContact C-O 3.49Å; E356-L407 HydrophobicContact CB-CB 4.4Å; E356-L407 PolarHBondContact O-N 2.9Å; E356-L407 VanDerWaalsContact O-O 3.13Å; P388-L407 HydrophobicContact CB-CD2 3.92Å; P388-L407 HydrophobicContact CG-CD2 3.47Å; P388-L407 VanDerWaalsContact CG-CD2 3.47Å; F389-L407 HydrophobicContact CE1-CD1 4.38Å; F389-L407 HydrophobicContact CZ-CD1 4.17Å; T403-L407 HydrophobicContact CG2-CD1 4Å; T403-L407 HydrophobicContact CG2-CD2 4.38Å; T403-L407 HydrophobicContact CG2-CG 4.17Å; L407-Y415 HydrophobicContact CD1-CE2 4.37Å; L407-Y415 HydrophobicContact CD2-CE2 4.49Å; L407-V439 HydrophobicContact CB-CG1 4.5Å; L407-V439 HydrophobicContact CD1-CG2 3.99Å | ||
| 408 | D | 93.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -147.7 | 115 | -179.8 | 164.6 | -10.4 | 0 | 0 | 0 | 106.4 | E410 S411 R412 | D408-E410 WeakPolarHBondContact OD1-CB 3.28Å; D408-E410 PolarHBondContact OD1-N 3.31Å; D408-E410 VanDerWaalsContact OD1-N 3.15Å; D408-S411 WeakPolarHBondContact OD1-CB 3.45Å; D408-S411 PolarHBondContact OD1-N 2.91Å; D408-S411 PolarHBondContact OD1-OG 2.83Å; D408-S411 VanDerWaalsContact OD2-CB 3.29Å; D408-S411 WeakPolarHBondContact OD2-CB 3.3Å; D408-S411 PolarHBondContact OD2-OG 2.79Å; D408-R412 PolarHBondContact O-N 3.17Å | ||
| 409 | R | 95.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.6 | -35.4 | -173 | -173.6 | -140 | 66.3 | 92.3 | -11 | 111.2 | E356 S411 R412 A413 V439 D441 R476 | E356-R409 WeakPolarHBondContact OE2-CB 3.36Å; E356-R409 PolarHBondContact OE2-N 2.89Å; R409-S411 VanDerWaalsContact C-N 3.25Å; R409-S411 PolarHBondContact O-N 2.84Å; R409-R412 CarbonylContact O-C 3.49Å; R409-R412 PolarHBondContact O-N 3.16Å; R409-A413 HydrophobicContact CG-CB 3.81Å; R409-A413 PolarHBondContact O-N 2.87Å; R409-A413 VanDerWaalsContact O-N 3.16Å; R409-V439 HydrophobicContact CB-CB 4.27Å; R409-V439 HydrophobicContact CB-CG1 3.86Å; R409-V439 HydrophobicContact CG-CB 4.23Å; R409-V439 HydrophobicContact CG-CG1 4.27Å; R409-D441 VanDerWaalsContact CD-OD1 3.27Å; R409-D441 WeakPolarHBondContact CD-OD1 3.27Å; R409-D441 IonicContact CZ-OD1 3.5Å; R409-D441 IonicContact NE-OD1 2.68Å; R409-D441 PolarHBondContact NE-OD1 3.4Å; R409-D441 IonicContact NH2-OD1 2.74Å; R409-R476 PolarHBondContact NH2-O 2.55Å |
| 410 | E | 94.3 | Very high | 93.7 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 173.6 | -71.6 | 58.2 | -125.1 | 0 | 0 | 110.8 | D408 R476 | D408-E410 WeakPolarHBondContact OD1-CB 3.28Å; D408-E410 PolarHBondContact OD1-N 3.31Å; D408-E410 VanDerWaalsContact OD1-N 3.15Å; E410-R476 HydrophobicContact CG-CB 3.74Å |
| 411 | S | 92.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 65% | 0.65 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -75.2 | -49.4 | 170.6 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | D408 R409 | D408-S411 WeakPolarHBondContact OD1-CB 3.45Å; D408-S411 PolarHBondContact OD1-N 2.91Å; D408-S411 PolarHBondContact OD1-OG 2.83Å; D408-S411 VanDerWaalsContact OD2-CB 3.29Å; D408-S411 WeakPolarHBondContact OD2-CB 3.3Å; D408-S411 PolarHBondContact OD2-OG 2.79Å; R409-S411 VanDerWaalsContact C-N 3.25Å; R409-S411 PolarHBondContact O-N 2.84Å |
| 412 | R | 93.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -158.1 | 102.8 | -179.9 | -175.8 | 169.7 | 174.4 | -172 | 0.8 | 113.7 | D408 R409 E414 Y415 | D408-R412 PolarHBondContact O-N 3.17Å; R409-R412 CarbonylContact O-C 3.49Å; R409-R412 PolarHBondContact O-N 3.16Å; R412-E414 WeakPolarHBondContact CG-O 3.29Å; R412-E414 PolarHBondContact NE-O 3.4Å; R412-E414 PolarHBondContact NH2-O 3.07Å; R412-E414 PolarHBondContact O-N 2.92Å; R412-Y415 HydrophobicContact CB-CE2 4.32Å; R412-Y415 HydrophobicContact CG-CE1 4.15Å; R412-Y415 HydrophobicContact CG-CE2 4.04Å; R412-Y415 VanDerWaalsContact CZ-CD1 3.48Å; R412-Y415 VanDerWaalsContact O-CE2 3.29Å; R412-Y415 WeakPolarHBondContact O-CE2 3.2Å |
| 413 | A | 93 | Very high | 93.8 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 35% | 0.347 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -73.3 | -15.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R409 V439 | R409-A413 HydrophobicContact CG-CB 3.81Å; R409-A413 PolarHBondContact O-N 2.87Å; R409-A413 VanDerWaalsContact O-N 3.16Å; A413-V439 PolarHBondContact O-N 2.8Å |
| 414 | E | 95.6 | Very high | 93.8 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 133 | -173.9 | -175.4 | -173.8 | 145.8 | 0 | 0 | 113 | R412 N416 T436 L438 | R412-E414 WeakPolarHBondContact CG-O 3.29Å; R412-E414 PolarHBondContact NE-O 3.4Å; R412-E414 PolarHBondContact NH2-O 3.07Å; R412-E414 PolarHBondContact O-N 2.92Å; E414-N416 PolarHBondContact OE1-ND2 2.93Å; E414-T436 HydrophobicContact CG-CG2 3.75Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.48Å; E414-L438 HydrophobicContact CB-CD2 4.28Å; E414-L438 HydrophobicContact CG-CD2 4Å |
| 415 | Y | 94.4 | Very high | 93.8 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 114.5 | 175.7 | -64.6 | -94.6 | 0 | 0 | 0 | 110.9 | L387 P388 F389 L407 R412 V437 V439 | L387-Y415 HydrophobicContact CD2-CD1 4.42Å; P388-Y415 VanDerWaalsContact CD-CE1 3.42Å; P388-Y415 HydrophobicContact CG-CD1 4.27Å; P388-Y415 HydrophobicContact CG-CE1 3.55Å; F389-Y415 AromaticContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD1 3.69Å; F389-Y415 HydrophobicContact CE2-CD2 4.25Å; F389-Y415 HydrophobicContact CE2-CE1 4.31Å; F389-Y415 AromaticContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CE2-CG 3.64Å; F389-Y415 HydrophobicContact CZ-CD1 4.38Å; F389-Y415 HydrophobicContact CZ-CD2 4.12Å; F389-Y415 AromaticContact CZ-CG 3.92Å; F389-Y415 HydrophobicContact CZ-CG 3.92Å; L407-Y415 HydrophobicContact CD1-CE2 4.37Å; L407-Y415 HydrophobicContact CD2-CE2 4.49Å; R412-Y415 HydrophobicContact CB-CE2 4.32Å; R412-Y415 HydrophobicContact CG-CE1 4.15Å; R412-Y415 HydrophobicContact CG-CE2 4.04Å; R412-Y415 VanDerWaalsContact CZ-CD1 3.48Å; R412-Y415 VanDerWaalsContact O-CE2 3.29Å; R412-Y415 WeakPolarHBondContact O-CE2 3.2Å; Y415-V437 PolarHBondContact N-O 2.95Å; Y415-V437 PolarHBondContact O-N 3Å; Y415-V439 HydrophobicContact CD2-CG2 3.99Å; Y415-V439 HydrophobicContact CE2-CG2 3.81Å |
| 416 | N | 95.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.9 | 165.9 | -69.4 | -53.3 | 0 | 0 | 0 | 107.8 | E414 I435 T436 | E414-N416 PolarHBondContact OE1-ND2 2.93Å; N416-I435 WeakPolarHBondContact CA-O 3.5Å; N416-T436 WeakPolarHBondContact OD1-CB 3.5Å; N416-T436 VanDerWaalsContact OD1-CG2 3.32Å; N416-T436 WeakPolarHBondContact OD1-CG2 3.36Å; N416-T436 PolarHBondContact OD1-OG1 3.47Å |
| 417 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.9 | -175.1 | -52.1 | 174.6 | 0 | 0 | 0 | 107.6 | I383 L387 F389 L401 S434 I435 V437 | I383-I417 HydrophobicContact CB-CG2 4.31Å; I383-I417 HydrophobicContact CG2-CG2 3.78Å; L387-I417 HydrophobicContact CD1-CB 4.26Å; L387-I417 HydrophobicContact CD1-CG1 3.99Å; L387-I417 HydrophobicContact CD1-CG2 4.26Å; F389-I417 HydrophobicContact CD1-CD1 4.05Å; F389-I417 HydrophobicContact CD2-CD1 3.65Å; F389-I417 HydrophobicContact CD2-CG1 4.29Å; F389-I417 HydrophobicContact CE1-CD1 4.07Å; F389-I417 HydrophobicContact CE2-CD1 3.69Å; F389-I417 HydrophobicContact CE2-CG1 4.27Å; F389-I417 HydrophobicContact CG-CD1 3.85Å; F389-I417 HydrophobicContact CZ-CD1 3.91Å; L401-I417 HydrophobicContact CD2-CD1 3.89Å; I417-S434 CarbonylContact O-C 3.59Å; I417-S434 WeakPolarHBondContact O-CA 3.38Å; I417-I435 HydrophobicContact CB-CG1 3.97Å; I417-I435 PolarHBondContact N-O 3.06Å; I417-I435 PolarHBondContact O-N 2.92Å; I417-V437 HydrophobicContact CD1-CB 4.5Å; I417-V437 HydrophobicContact CD1-CG2 3.65Å; I417-V437 HydrophobicContact CG1-CG2 4.45Å |
| 418 | T | 95.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.5 | 176.5 | -45.7 | 0 | 0 | 0 | 0 | 110.1 | E384 T420 Q432 S434 | E384-T418 WeakPolarHBondContact OE1-CB 3.08Å; E384-T418 PolarHBondContact OE1-N 3.48Å; E384-T418 PolarHBondContact OE1-OG1 2.91Å; E384-T418 PolarHBondContact OE2-N 3.33Å; T418-T420 PolarHBondContact O-N 2.62Å; T418-Q432 HydrophobicContact CG2-CB 4.21Å; T418-S434 PolarHBondContact OG1-OG 2.83Å |
| 419 | I | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.1 | 172.3 | -55.1 | 165.4 | 0 | 0 | 0 | 107.5 | L345 M347 F366 C381 I383 V421 Q432 Q433 I435 | L345-I419 HydrophobicContact CD1-CB 4.09Å; L345-I419 HydrophobicContact CD1-CD1 4.5Å; L345-I419 HydrophobicContact CD1-CG2 3.55Å; M347-I419 HydrophobicContact CE-CD1 4.11Å; F366-I419 HydrophobicContact CD1-CD1 4.12Å; F366-I419 HydrophobicContact CE1-CD1 3.72Å; F366-I419 HydrophobicContact CE1-CG2 4.43Å; F366-I419 HydrophobicContact CE2-CG2 3.9Å; F366-I419 HydrophobicContact CZ-CD1 4.04Å; F366-I419 HydrophobicContact CZ-CG1 4.49Å; F366-I419 HydrophobicContact CZ-CG2 3.64Å; C381-I419 VanDerWaalsContact SG-CG2 3.58Å; I383-I419 HydrophobicContact CG2-CG1 4.06Å; I419-V421 HydrophobicContact CG2-CG2 4.49Å; I419-Q432 WeakPolarHBondContact O-CA 3.4Å; I419-Q433 PolarHBondContact N-O 2.87Å; I419-Q433 PolarHBondContact O-N 2.93Å; I419-I435 HydrophobicContact CD1-CD1 4.12Å |
| 420 | T | 95.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 53 Ų | 53 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115 | 178.2 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | S382 T418 Q432 | S382-T420 PolarHBondContact N-O 3.39Å; S382-T420 PolarHBondContact O-N 3.39Å; S382-T420 PolarHBondContact OG-O 3.23Å; T418-T420 PolarHBondContact O-N 2.62Å; T420-Q432 HydrophobicContact CG2-CG 4.01Å; T420-Q432 PolarHBondContact OG1-NE2 3.3Å |
| 421 | V | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.6 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | P343 L345 V368 V379 I380 I419 K430 T431 | P343-V421 HydrophobicContact CB-CB 4.24Å; P343-V421 HydrophobicContact CB-CG1 3.42Å; P343-V421 VanDerWaalsContact CB-CG1 3.42Å; P343-V421 HydrophobicContact CG-CG1 3.95Å; L345-V421 HydrophobicContact CD1-CG2 3.9Å; V368-V421 HydrophobicContact CG1-CG1 3.5Å; V368-V421 HydrophobicContact CG1-CG2 4.41Å; V368-V421 HydrophobicContact CG2-CG1 4.3Å; V368-V421 HydrophobicContact CG2-CG2 3.82Å; V379-V421 HydrophobicContact CB-CG1 4.06Å; V379-V421 HydrophobicContact CG1-CG1 4.23Å; I380-V421 WeakPolarHBondContact O-CA 3.43Å; I419-V421 HydrophobicContact CG2-CG2 4.49Å; V421-K430 CarbonylContact O-C 3.55Å; V421-K430 WeakPolarHBondContact O-CA 3.44Å; V421-K430 WeakPolarHBondContact O-CB 3.27Å; V421-T431 PolarHBondContact N-O 2.92Å; V421-T431 PolarHBondContact O-N 2.75Å |
| 422 | T | 94.7 | Very high | 94.2 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 130.9 | 175.4 | -53 | 0 | 0 | 0 | 0 | 108.7 | I380 R428 L429 K430 | I380-T422 PolarHBondContact N-O 3.15Å; I380-T422 PolarHBondContact O-N 3.45Å; T422-R428 HydrophobicContact CG2-CB 3.99Å; T422-R428 VanDerWaalsContact CG2-CZ 3.48Å; T422-R428 VanDerWaalsContact CG2-NH2 3.34Å; T422-L429 WeakPolarHBondContact CA-O 3.5Å; T422-L429 VanDerWaalsContact CG2-O 3.29Å; T422-L429 WeakPolarHBondContact CG2-O 3.5Å; T422-K430 HydrophobicContact CG2-CB 4.13Å; T422-K430 WeakPolarHBondContact OG1-CB 3.03Å |
| 423 | D | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -62.7 | -171.7 | 174.6 | 60.8 | 26.6 | 0 | 0 | 0 | 112.7 | N339 P343 N376 Q378 R428 L429 | N339-D423 PolarHBondContact ND2-OD2 2.83Å; N339-D423 PolarHBondContact OD1-OD2 2.91Å; P343-D423 HydrophobicContact CG-CB 3.97Å; N376-D423 WeakPolarHBondContact O-CB 3.47Å; Q378-D423 CarbonylContact O-C 3.51Å; Q378-D423 WeakPolarHBondContact O-CA 3.26Å; D423-R428 PolarHBondContact O-NE 3.49Å; D423-R428 PolarHBondContact O-NH2 3.11Å; D423-R428 WeakPolarHBondContact OD1-CA 3.45Å; D423-R428 VanDerWaalsContact OD1-CB 3.23Å; D423-R428 WeakPolarHBondContact OD1-CB 3.43Å; D423-L429 PolarHBondContact N-O 2.87Å; D423-L429 PolarHBondContact OD1-N 2.97Å; D423-L429 VanDerWaalsContact OD2-CA 3.23Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.37Å; D423-L429 PolarHBondContact OD2-N 2.92Å | ||
| 424 | L | 92.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -120.2 | 4.6 | 171.8 | -72.3 | -177.7 | 0 | 0 | 0 | 114 | H375 Q378 I380 | H375-L424 PolarHBondContact NE2-O 3.03Å; Q378-L424 HydrophobicContact CB-CB 4.19Å; Q378-L424 HydrophobicContact CB-CD1 3.8Å; Q378-L424 HydrophobicContact CB-CG 4.21Å; Q378-L424 WeakPolarHBondContact O-CB 3.35Å; Q378-L424 VanDerWaalsContact O-CG 3.31Å; Q378-L424 WeakPolarHBondContact O-CG 3.38Å; Q378-L424 PolarHBondContact O-N 3.07Å; I380-L424 HydrophobicContact CD1-CD2 3.78Å; I380-L424 HydrophobicContact CG1-CD2 4.24Å |
| 425 | G | 91.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.7 | -169.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N339 N376 R428 | N339-G425 WeakPolarHBondContact OD1-CA 3.33Å; N339-G425 PolarHBondContact OD1-N 3.48Å; N376-G425 WeakPolarHBondContact OD1-CA 3.1Å; G425-R428 WeakPolarHBondContact O-CG 3.12Å |
| 426 | T | 88.5 | Confident | 94.4 | Very high | 130 Ų | 130 | 52.8 Ų | 52.8 | 80% | 0.798 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -143.5 | 110.5 | -175 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 427 | P | 93.2 | Very high | 94.4 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | S | Bend | cis | -67 | 156.4 | 0.7 | 32.4 | -37.1 | 0 | 0 | 0 | 112.7 | ||
| 428 | R | 93.5 | Very high | 94.4 | Very high | 128 Ų | 128 | 53 Ų | 53 | 48% | 0.483 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -79 | 126.2 | 175.2 | -66.1 | -177.9 | 73.9 | -167.5 | 3 | 111.4 | T422 D423 G425 | T422-R428 HydrophobicContact CG2-CB 3.99Å; T422-R428 VanDerWaalsContact CG2-CZ 3.48Å; T422-R428 VanDerWaalsContact CG2-NH2 3.34Å; D423-R428 PolarHBondContact O-NE 3.49Å; D423-R428 PolarHBondContact O-NH2 3.11Å; D423-R428 WeakPolarHBondContact OD1-CA 3.45Å; D423-R428 VanDerWaalsContact OD1-CB 3.23Å; D423-R428 WeakPolarHBondContact OD1-CB 3.43Å; G425-R428 WeakPolarHBondContact O-CG 3.12Å |
| 429 | L | 94.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 27% | 0.272 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 156.8 | 171.8 | -51 | 177.5 | 0 | 0 | 0 | 110.2 | N339 N341 A342 T422 D423 | N339-L429 WeakPolarHBondContact ND2-CD1 3.18Å; N339-L429 WeakPolarHBondContact ND2-CG 3.41Å; N341-L429 WeakPolarHBondContact O-CD1 3.23Å; A342-L429 HydrophobicContact CB-CB 3.98Å; A342-L429 HydrophobicContact CB-CD1 4.4Å; T422-L429 WeakPolarHBondContact CA-O 3.5Å; T422-L429 VanDerWaalsContact CG2-O 3.29Å; T422-L429 WeakPolarHBondContact CG2-O 3.5Å; D423-L429 PolarHBondContact N-O 2.87Å; D423-L429 PolarHBondContact OD1-N 2.97Å; D423-L429 VanDerWaalsContact OD2-CA 3.23Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.37Å; D423-L429 PolarHBondContact OD2-N 2.92Å |
| 430 | K | 94.6 | Very high | 94.3 | Very high | 120 Ų | 120 | 54 Ų | 54 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 146.5 | -174.5 | 64.8 | 170 | -172.7 | 156.1 | 0 | 112.6 | V421 T422 Q432 | V421-K430 CarbonylContact O-C 3.55Å; V421-K430 WeakPolarHBondContact O-CA 3.44Å; V421-K430 WeakPolarHBondContact O-CB 3.27Å; T422-K430 HydrophobicContact CG2-CB 4.13Å; T422-K430 WeakPolarHBondContact OG1-CB 3.03Å; K430-Q432 VanDerWaalsContact NZ-OE1 3.16Å |
| 431 | T | 96.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.9 | 175.4 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | P343 V421 | P343-T431 WeakPolarHBondContact O-CB 3.2Å; P343-T431 PolarHBondContact O-OG1 2.74Å; V421-T431 PolarHBondContact N-O 2.92Å; V421-T431 PolarHBondContact O-N 2.75Å |
| 432 | Q | 95.4 | Very high | 94.2 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.5 | -177.9 | -58.8 | -167.1 | -91.9 | 0 | 0 | 110 | T418 I419 T420 K430 | T418-Q432 HydrophobicContact CG2-CB 4.21Å; I419-Q432 WeakPolarHBondContact O-CA 3.4Å; T420-Q432 HydrophobicContact CG2-CG 4.01Å; T420-Q432 PolarHBondContact OG1-NE2 3.3Å; K430-Q432 VanDerWaalsContact NZ-OE1 3.16Å |
| 433 | Q | 94.4 | Very high | 94.2 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.3 | 176.4 | -179.9 | 59.1 | 57.2 | 0 | 0 | 109.5 | L345 I419 | L345-Q433 HydrophobicContact CD1-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CB 4.32Å; L345-Q433 HydrophobicContact CD2-CG 4.33Å; I419-Q433 PolarHBondContact N-O 2.87Å; I419-Q433 PolarHBondContact O-N 2.93Å |
| 434 | S | 95.1 | Very high | 94 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.7 | 173.4 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | I417 T418 | I417-S434 CarbonylContact O-C 3.59Å; I417-S434 WeakPolarHBondContact O-CA 3.38Å; T418-S434 PolarHBondContact OG1-OG 2.83Å |
| 435 | I | 95.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.9 | 173.2 | 60.4 | 177 | 0 | 0 | 0 | 110.4 | M347 F350 A364 L401 N416 I417 I419 | M347-I435 HydrophobicContact CE-CG2 3.82Å; F350-I435 HydrophobicContact CD2-CD1 4.3Å; F350-I435 HydrophobicContact CE2-CB 4.23Å; F350-I435 HydrophobicContact CE2-CD1 3.98Å; F350-I435 HydrophobicContact CE2-CG1 4.49Å; F350-I435 HydrophobicContact CZ-CB 4.47Å; A364-I435 HydrophobicContact CB-CD1 4.45Å; L401-I435 HydrophobicContact CD2-CD1 3.74Å; N416-I435 WeakPolarHBondContact CA-O 3.5Å; I417-I435 HydrophobicContact CB-CG1 3.97Å; I417-I435 PolarHBondContact N-O 3.06Å; I417-I435 PolarHBondContact O-N 2.92Å; I419-I435 HydrophobicContact CD1-CD1 4.12Å |
| 436 | T | 95.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 107.6 | -179.4 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | S352 E414 N416 L438 | S352-T436 PolarHBondContact OG-O 3.43Å; E414-T436 HydrophobicContact CG-CG2 3.75Å; E414-T436 WeakPolarHBondContact OE1-CG2 3.48Å; N416-T436 WeakPolarHBondContact OD1-CB 3.5Å; N416-T436 VanDerWaalsContact OD1-CG2 3.32Å; N416-T436 WeakPolarHBondContact OD1-CG2 3.36Å; N416-T436 PolarHBondContact OD1-OG1 3.47Å; T436-L438 HydrophobicContact CG2-CD2 4.45Å |
| 437 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.5 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F350 I354 V363 F389 Y415 I417 | F350-V437 HydrophobicContact CE2-CG2 4.1Å; F350-V437 HydrophobicContact CZ-CG2 4.5Å; I354-V437 HydrophobicContact CD1-CG1 3.55Å; I354-V437 HydrophobicContact CG1-CG1 3.85Å; V363-V437 HydrophobicContact CG1-CB 4.5Å; V363-V437 HydrophobicContact CG1-CG1 3.98Å; V363-V437 HydrophobicContact CG1-CG2 3.64Å; F389-V437 HydrophobicContact CE1-CG1 4.42Å; F389-V437 HydrophobicContact CZ-CG1 4.36Å; Y415-V437 PolarHBondContact N-O 2.95Å; Y415-V437 PolarHBondContact O-N 3Å; I417-V437 HydrophobicContact CD1-CB 4.5Å; I417-V437 HydrophobicContact CD1-CG2 3.65Å; I417-V437 HydrophobicContact CG1-CG2 4.45Å |
| 438 | L | 95.5 | Very high | 94.7 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139 | 174.4 | -64.1 | 173.5 | 0 | 0 | 0 | 109.2 | S352 P353 I354 E414 T436 | S352-L438 PolarHBondContact OG-N 3.11Å; P353-L438 CarbonylContact C-O 3.57Å; P353-L438 WeakPolarHBondContact CA-O 2.99Å; P353-L438 HydrophobicContact CB-CB 3.93Å; P353-L438 WeakPolarHBondContact CB-O 3.45Å; I354-L438 PolarHBondContact N-O 3.08Å; E414-L438 HydrophobicContact CB-CD2 4.28Å; E414-L438 HydrophobicContact CG-CD2 4Å; T436-L438 HydrophobicContact CG2-CD2 4.45Å |
| 439 | V | 95 | Very high | 94.8 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.5 | 174.5 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | I354 E356 L407 R409 A413 Y415 | I354-V439 CarbonylContact O-C 3.55Å; I354-V439 WeakPolarHBondContact O-CA 3.29Å; E356-V439 HydrophobicContact CB-CG1 3.52Å; L407-V439 HydrophobicContact CB-CG1 4.5Å; L407-V439 HydrophobicContact CD1-CG2 3.99Å; R409-V439 HydrophobicContact CB-CB 4.27Å; R409-V439 HydrophobicContact CB-CG1 3.86Å; R409-V439 HydrophobicContact CG-CB 4.23Å; R409-V439 HydrophobicContact CG-CG1 4.27Å; A413-V439 PolarHBondContact O-N 2.8Å; Y415-V439 HydrophobicContact CD2-CG2 3.99Å; Y415-V439 HydrophobicContact CE2-CG2 3.81Å |
| 440 | S | 94.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.9 | 173.2 | 59.4 | 0 | 0 | 0 | 0 | 110.8 | I354 P355 | I354-S440 PolarHBondContact O-N 3.19Å; I354-S440 PolarHBondContact O-OG 2.79Å; P355-S440 VanDerWaalsContact CA-OG 3.29Å; P355-S440 WeakPolarHBondContact CA-OG 3.33Å |
| 441 | D | 94.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 132.6 | 176.6 | -159.9 | 90.5 | 0 | 0 | 0 | 113.9 | E356 R409 S478 N481 | E356-D441 VanDerWaalsContact OE1-CA 3.32Å; E356-D441 WeakPolarHBondContact OE1-CA 3.47Å; R409-D441 VanDerWaalsContact CD-OD1 3.27Å; R409-D441 WeakPolarHBondContact CD-OD1 3.27Å; R409-D441 IonicContact CZ-OD1 3.5Å; R409-D441 IonicContact NE-OD1 2.68Å; R409-D441 PolarHBondContact NE-OD1 3.4Å; R409-D441 IonicContact NH2-OD1 2.74Å; D441-S478 VanDerWaalsContact CG-CB 3.49Å; D441-S478 VanDerWaalsContact CG-N 3.26Å; D441-S478 WeakPolarHBondContact OD1-CA 3.25Å; D441-S478 WeakPolarHBondContact OD1-CB 3.42Å; D441-S478 PolarHBondContact OD1-N 3.27Å; D441-S478 PolarHBondContact OD2-N 2.81Å; D441-S478 VanDerWaalsContact OD2-N 3.08Å; D441-N481 WeakPolarHBondContact OD2-CB 3.42Å; D441-N481 PolarHBondContact OD2-ND2 3.47Å |
| 442 | V | 93.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | trans | -124.5 | 137.5 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | P355 E356 D444 | P355-V442 HydrophobicContact CB-CG2 4.05Å; E356-V442 HydrophobicContact CG-CB 4.18Å; E356-V442 HydrophobicContact CG-CG2 4.15Å; E356-V442 PolarHBondContact OE1-N 2.89Å; V442-D444 VanDerWaalsContact C-N 3.34Å; V442-D444 PolarHBondContact O-N 2.9Å | ||
| 443 | N | 94.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -72.9 | 82.2 | -175.4 | -160.4 | 102 | 0 | 0 | 0 | 112.3 | D477 N481 D533 G535 P537 L539 | N443-D477 VanDerWaalsContact CA-OD2 3.25Å; N443-D477 WeakPolarHBondContact CA-OD2 3.45Å; N443-N481 HydrophobicContact CB-CB 4.07Å; N443-N481 PolarHBondContact N-ND2 2.85Å; N443-N481 WeakPolarHBondContact OD1-CA 3.42Å; N443-N481 WeakPolarHBondContact OD1-CB 3.39Å; N443-N481 PolarHBondContact OD1-OD1 3.42Å; N443-D533 PolarHBondContact ND2-OD2 2.89Å; N443-D533 PolarHBondContact OD1-OD2 3.03Å; N443-G535 WeakPolarHBondContact OD1-CA 3.39Å; N443-P537 PolarHBondContact ND2-O 2.92Å; N443-L539 WeakPolarHBondContact ND2-CG 3.48Å |
| 444 | D | 92.4 | Very high | 94.3 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | trans | -119.4 | -14.8 | -176.1 | 91.8 | -14.2 | 0 | 0 | 0 | 114.6 | V442 D477 | V442-D444 VanDerWaalsContact C-N 3.34Å; V442-D444 PolarHBondContact O-N 2.9Å; D444-D477 PolarHBondContact N-OD2 2.78Å | ||
| 445 | N | 93.2 | Very high | 94.3 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -92.2 | 143.3 | 165.4 | -60 | -91.4 | 0 | 0 | 0 | 110.3 | R476 D477 L539 | N445-R476 HydrophobicContact CB-CB 4.16Å; N445-D477 WeakPolarHBondContact CB-OD1 3.42Å; N445-D477 PolarHBondContact N-OD1 3.41Å; N445-D477 PolarHBondContact N-OD2 2.68Å; N445-D477 PolarHBondContact ND2-OD1 2.84Å; N445-L539 WeakPolarHBondContact O-CD1 3.31Å |
| 446 | A | 94.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 149.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A448 L539 | A446-A448 PolarHBondContact O-N 2.94Å; A446-A448 VanDerWaalsContact O-N 3.15Å; A446-L539 HydrophobicContact CB-CB 3.8Å |
| 447 | P | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 122.7 | 178.5 | -25.6 | 30.5 | 0 | 0 | 0 | 111.3 | A473 D475 V484 A531 D533 S541 | P447-A473 HydrophobicContact CB-CB 4.34Å; P447-D475 VanDerWaalsContact CA-OD2 3.31Å; P447-D475 WeakPolarHBondContact CA-OD2 3.2Å; P447-D475 WeakPolarHBondContact CD-OD2 3.34Å; P447-D475 WeakPolarHBondContact CG-OD2 3.4Å; P447-V484 HydrophobicContact CB-CG1 4.08Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.44Å; P447-V484 HydrophobicContact CG-CG2 4.18Å; P447-A531 HydrophobicContact CB-CB 3.93Å; P447-D533 HydrophobicContact CG-CB 4.01Å; P447-S541 WeakPolarHBondContact O-CB 3.2Å; P447-S541 PolarHBondContact O-OG 2.94Å |
| 448 | A | 94.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A446 A473 T474 | A446-A448 PolarHBondContact O-N 2.94Å; A446-A448 VanDerWaalsContact O-N 3.15Å; A448-A473 CarbonylContact O-C 3.53Å; A448-A473 WeakPolarHBondContact O-CA 3.3Å; A448-T474 PolarHBondContact N-O 3.23Å; A448-T474 PolarHBondContact O-N 3.31Å |
| 449 | F | 95.6 | Very high | 94 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.6 | 173.5 | -77 | -82.1 | 0 | 0 | 0 | 112.5 | Q451 Y454 V471 S472 A473 Y486 V529 A531 S541 A543 | F449-Q451 WeakPolarHBondContact CB-O 3.44Å; F449-Q451 PolarHBondContact O-N 2.88Å; F449-Y454 HydrophobicContact CD1-CE2 4.18Å; F449-V471 HydrophobicContact CD1-CB 4.44Å; F449-V471 HydrophobicContact CE1-CB 4.16Å; F449-V471 HydrophobicContact CE1-CG2 4.03Å; F449-S472 WeakPolarHBondContact CA-O 3.47Å; F449-A473 HydrophobicContact CD1-CB 3.85Å; F449-A473 HydrophobicContact CD2-CB 4.39Å; F449-A473 HydrophobicContact CE1-CB 4.14Å; F449-A473 HydrophobicContact CG-CB 4Å; F449-Y486 HydrophobicContact CE1-CD1 4.21Å; F449-Y486 HydrophobicContact CE1-CE1 4.06Å; F449-Y486 HydrophobicContact CZ-CD1 4.5Å; F449-V529 HydrophobicContact CE1-CG1 4.38Å; F449-V529 HydrophobicContact CZ-CB 4.38Å; F449-V529 HydrophobicContact CZ-CG1 4.11Å; F449-V529 WeakPolarHBondContact CZ-O 3.32Å; F449-A531 HydrophobicContact CD2-CB 4.36Å; F449-A531 HydrophobicContact CE1-CB 4.18Å; F449-A531 HydrophobicContact CE2-CB 3.54Å; F449-A531 HydrophobicContact CZ-CB 3.44Å; F449-A531 VanDerWaalsContact CZ-CB 3.44Å; F449-S541 VanDerWaalsContact CD2-OG 3.25Å; F449-S541 WeakPolarHBondContact CD2-OG 3.47Å; F449-S541 WeakPolarHBondContact CE2-OG 3.45Å; F449-A543 HydrophobicContact CB-CB 4.07Å; F449-A543 HydrophobicContact CD1-CB 3.89Å; F449-A543 HydrophobicContact CD2-CB 3.66Å; F449-A543 HydrophobicContact CE1-CB 4.2Å; F449-A543 HydrophobicContact CE2-CB 3.99Å; F449-A543 HydrophobicContact CG-CB 3.6Å; F449-A543 HydrophobicContact CZ-CB 4.24Å |
| 450 | T | 93 | Very high | 93.9 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -63.5 | -23.9 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | Y454 S472 | T450-Y454 PolarHBondContact N-OH 3.06Å; T450-Y454 PolarHBondContact OG1-OH 2.88Å; T450-S472 PolarHBondContact N-O 2.9Å |
| 451 | Q | 92.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | trans | -141.3 | 145.2 | 176.5 | -54.5 | 179.5 | 19.4 | 0 | 0 | 109.3 | F449 S453 Y454 | F449-Q451 WeakPolarHBondContact CB-O 3.44Å; F449-Q451 PolarHBondContact O-N 2.88Å; Q451-S453 PolarHBondContact OE1-O 3.34Å; Q451-Y454 HydrophobicContact CB-CD1 4.25Å; Q451-Y454 HydrophobicContact CB-CD2 4.49Å; Q451-Y454 HydrophobicContact CB-CE1 3.85Å; Q451-Y454 HydrophobicContact CB-CE2 4.11Å; Q451-Y454 HydrophobicContact CG-CD1 4.43Å; Q451-Y454 HydrophobicContact CG-CE1 3.95Å; Q451-Y454 PolarHBondContact N-OH 2.74Å; Q451-Y454 VanDerWaalsContact O-CE2 3.3Å; Q451-Y454 WeakPolarHBondContact O-CE2 3.41Å | ||
| 452 | T | 91 | Very high | 93.5 | Very high | 125 Ų | 125 | 59.1 Ų | 59.1 | 77% | 0.767 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -75.1 | -26.3 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | L544 | T452-L544 PolarHBondContact O-N 3.4Å; T452-L544 VanDerWaalsContact O-N 3.09Å |
| 453 | S | 94.7 | Very high | 93.3 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.1 | 172.4 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | Q451 L544 | Q451-S453 PolarHBondContact OE1-O 3.34Å; S453-L544 CarbonylContact C-O 3.51Å; S453-L544 VanDerWaalsContact CA-O 3.22Å; S453-L544 WeakPolarHBondContact CA-O 3.29Å |
| 454 | Y | 94.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.6 | 175.3 | -58.6 | -97.5 | 0 | 0 | 0 | 109 | F449 T450 Q451 V471 S472 A543 L544 V545 R546 | F449-Y454 HydrophobicContact CD1-CE2 4.18Å; T450-Y454 PolarHBondContact N-OH 3.06Å; T450-Y454 PolarHBondContact OG1-OH 2.88Å; Q451-Y454 HydrophobicContact CB-CD1 4.25Å; Q451-Y454 HydrophobicContact CB-CD2 4.49Å; Q451-Y454 HydrophobicContact CB-CE1 3.85Å; Q451-Y454 HydrophobicContact CB-CE2 4.11Å; Q451-Y454 HydrophobicContact CG-CD1 4.43Å; Q451-Y454 HydrophobicContact CG-CE1 3.95Å; Q451-Y454 PolarHBondContact N-OH 2.74Å; Q451-Y454 VanDerWaalsContact O-CE2 3.3Å; Q451-Y454 WeakPolarHBondContact O-CE2 3.41Å; Y454-V471 HydrophobicContact CD1-CG1 4.22Å; Y454-V471 HydrophobicContact CD2-CB 4.45Å; Y454-V471 HydrophobicContact CD2-CG1 3.65Å; Y454-V471 HydrophobicContact CE1-CB 4.47Å; Y454-V471 HydrophobicContact CE1-CG1 4.31Å; Y454-V471 HydrophobicContact CE2-CB 4.06Å; Y454-V471 HydrophobicContact CE2-CG1 3.76Å; Y454-V471 HydrophobicContact CG-CG1 3.89Å; Y454-S472 PolarHBondContact OH-O 3.43Å; Y454-S472 VanDerWaalsContact OH-O 3.06Å; Y454-A543 HydrophobicContact CD2-CB 4.21Å; Y454-A543 HydrophobicContact CE2-CB 3.82Å; Y454-L544 PolarHBondContact N-O 2.78Å; Y454-V545 HydrophobicContact CD2-CG2 4.36Å; Y454-V545 WeakPolarHBondContact O-CA 3.48Å; Y454-R546 PolarHBondContact O-N 3.02Å |
| 455 | T | 95.2 | Very high | 92.7 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.2 | 171.2 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | F457 R546 L548 | T455-F457 HydrophobicContact CG2-CE2 4.04Å; T455-F457 HydrophobicContact CG2-CZ 3.96Å; T455-R546 WeakPolarHBondContact CA-O 3.07Å; T455-L548 HydrophobicContact CG2-CD1 3.69Å; T455-L548 HydrophobicContact CG2-CG 4.19Å |
| 456 | L | 94.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.7 | 179.9 | -57.7 | -179.4 | 0 | 0 | 0 | 109.7 | I468 L511 V545 R546 V547 L548 | L456-I468 HydrophobicContact CD1-CD1 4.29Å; L456-I468 HydrophobicContact CD1-CG1 4.25Å; L456-L511 HydrophobicContact CD1-CD1 3.78Å; L456-V545 HydrophobicContact CD1-CG1 3.86Å; L456-V545 HydrophobicContact CG-CG1 4.22Å; L456-R546 PolarHBondContact N-O 2.92Å; L456-V547 HydrophobicContact CB-CG2 4.4Å; L456-L548 PolarHBondContact O-N 2.92Å |
| 457 | F | 94.3 | Very high | 92.6 | Very high | 131 Ų | 131 | 66.3 Ų | 66.3 | 58% | 0.575 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121 | 178.9 | -63.2 | -86.9 | 0 | 0 | 0 | 109.4 | T455 L548 L550 | T455-F457 HydrophobicContact CG2-CE2 4.04Å; T455-F457 HydrophobicContact CG2-CZ 3.96Å; F457-L548 WeakPolarHBondContact CA-O 3.18Å; F457-L548 HydrophobicContact CD1-CB 3.89Å; F457-L548 HydrophobicContact CD1-CD1 4.13Å; F457-L548 HydrophobicContact CE1-CB 4.12Å; F457-L548 HydrophobicContact CE1-CD1 3.48Å; F457-L548 VanDerWaalsContact CE1-CD1 3.48Å; F457-L548 HydrophobicContact CE1-CG 4.41Å; F457-L548 HydrophobicContact CZ-CD1 4.02Å; F457-L550 HydrophobicContact CB-CD1 4.03Å; F457-L550 HydrophobicContact CB-CG 4.32Å; F457-L550 HydrophobicContact CD1-CD2 4.07Å |
| 458 | V | 94.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.1 | -174.8 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | L466 I468 L517 V547 L548 V549 L550 | V458-L466 HydrophobicContact CG1-CD2 4.33Å; V458-I468 HydrophobicContact CB-CG2 4.36Å; V458-I468 HydrophobicContact CG1-CG2 3.86Å; V458-I468 HydrophobicContact CG2-CB 3.66Å; V458-I468 HydrophobicContact CG2-CG2 3.49Å; V458-I468 VanDerWaalsContact CG2-CG2 3.49Å; V458-L517 HydrophobicContact CB-CD1 4.19Å; V458-L517 HydrophobicContact CG1-CD1 3.87Å; V458-V547 HydrophobicContact CB-CG1 4.33Å; V458-V547 HydrophobicContact CG2-CG1 3.76Å; V458-L548 PolarHBondContact N-O 2.78Å; V458-V549 CarbonylContact O-C 3.56Å; V458-V549 VanDerWaalsContact O-CA 3.28Å; V458-V549 WeakPolarHBondContact O-CA 3.19Å; V458-L550 PolarHBondContact O-N 2.88Å |
| 459 | R | 91.8 | Very high | 92.3 | Very high | 191 Ų | 191 | 65.2 Ų | 65.2 | 72% | 0.721 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.2 | 170.2 | -68.7 | -179.6 | -178.3 | 173.1 | -1.3 | 109.2 | L550 | R459-L550 HydrophobicContact CG-CB 4.14Å; R459-L550 HydrophobicContact CG-CD1 4.33Å |
| 460 | E | 92 | Very high | 92.2 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -62.3 | 175.7 | 169.1 | 57.2 | 144.1 | -132.7 | 0 | 0 | 112.2 | N462 L517 Y519 V549 L550 A552 D554 | E460-N462 PolarHBondContact O-N 3.23Å; E460-L517 WeakPolarHBondContact CA-O 3.14Å; E460-L517 WeakPolarHBondContact CB-O 3.05Å; E460-Y519 WeakPolarHBondContact OE2-CB 3.12Å; E460-Y519 PolarHBondContact OE2-N 3.2Å; E460-V549 HydrophobicContact CB-CG1 3.77Å; E460-L550 WeakPolarHBondContact CG-O 3.34Å; E460-L550 PolarHBondContact N-O 3.39Å; E460-L550 VanDerWaalsContact N-O 3.17Å; E460-A552 HydrophobicContact CG-CB 4.03Å; E460-A552 WeakPolarHBondContact OE1-CB 3.35Å; E460-D554 VanDerWaalsContact OE1-CB 3.31Å; E460-D554 WeakPolarHBondContact OE1-CB 3.36Å |
| 461 | N | 89.8 | Confident | 92.3 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 55.6 | 22.9 | -175.2 | -80.2 | -64.8 | 0 | 0 | 0 | 113.3 | L517 D554 | N461-L517 PolarHBondContact N-O 3.03Å; N461-D554 VanDerWaalsContact ND2-CG 3.29Å; N461-D554 PolarHBondContact ND2-OD2 3.09Å |
| 462 | N | 89.8 | Confident | 92.4 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 152.6 | 179 | 62.9 | -81.6 | 0 | 0 | 0 | 112.4 | E460 L466 R515 S516 L517 | E460-N462 PolarHBondContact O-N 3.23Å; N462-L466 HydrophobicContact CB-CB 4.37Å; N462-L466 HydrophobicContact CB-CD2 3.59Å; N462-R515 PolarHBondContact ND2-O 3.12Å; N462-S516 WeakPolarHBondContact O-CA 3.38Å; N462-S516 VanDerWaalsContact O-CB 3.31Å; N462-S516 WeakPolarHBondContact O-CB 3.45Å; N462-L517 PolarHBondContact OD1-N 3.02Å |
| 463 | S | 89.9 | Confident | 92.6 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 141.4 | 167.1 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | L466 | S463-L466 VanDerWaalsContact O-CB 3.31Å; S463-L466 WeakPolarHBondContact O-CB 3.14Å; S463-L466 PolarHBondContact O-N 3.18Å |
| 464 | P | 87 | Confident | 92.6 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 58% | 0.578 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 147.4 | 162.8 | -25.6 | 35.4 | 0 | 0 | 0 | 111.4 | L466 | P464-L466 VanDerWaalsContact C-N 3.26Å; P464-L466 PolarHBondContact O-N 3.46Å |
| 465 | A | 88.1 | Confident | 92.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 26.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H467 A513 | A465-H467 PolarHBondContact O-N 2.77Å; A465-A513 WeakPolarHBondContact CA-O 3.32Å; A465-A513 PolarHBondContact N-O 2.84Å |
| 466 | L | 92.3 | Very high | 92.6 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.1 | 169.7 | 176.3 | 65.4 | 0 | 0 | 0 | 110.3 | V458 N462 S463 P464 I468 F512 A513 | V458-L466 HydrophobicContact CG1-CD2 4.33Å; N462-L466 HydrophobicContact CB-CB 4.37Å; N462-L466 HydrophobicContact CB-CD2 3.59Å; S463-L466 VanDerWaalsContact O-CB 3.31Å; S463-L466 WeakPolarHBondContact O-CB 3.14Å; S463-L466 PolarHBondContact O-N 3.18Å; P464-L466 VanDerWaalsContact C-N 3.26Å; P464-L466 PolarHBondContact O-N 3.46Å; L466-I468 HydrophobicContact CD2-CG2 4.49Å; L466-I468 HydrophobicContact CG-CG2 4.44Å; L466-I468 PolarHBondContact O-N 3.25Å; L466-F512 CarbonylContact O-C 3.54Å; L466-F512 VanDerWaalsContact O-CA 3.24Å; L466-F512 WeakPolarHBondContact O-CA 3.25Å; L466-A513 PolarHBondContact N-O 2.72Å; L466-A513 PolarHBondContact O-N 3.23Å |
| 467 | H | 93.6 | Very high | 92.7 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 40% | 0.398 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 115.7 | 167.7 | 176.3 | -96 | 0 | 0 | 0 | 110.4 | A465 G469 H510 F512 | A465-H467 PolarHBondContact O-N 2.77Å; H467-G469 PolarHBondContact NE2-O 3.04Å; H467-H510 AromaticContact NE2-CD2 3.94Å; H467-H510 AromaticContact NE2-CG 3.79Å; H467-F512 HydrophobicContact CB-CD1 3.98Å; H467-F512 HydrophobicContact CB-CE1 3.84Å |
| 468 | I | 92.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -17.2 | -174.8 | 58.6 | 168.6 | 0 | 0 | 0 | 113.7 | L456 V458 L466 V502 L511 A513 V547 | L456-I468 HydrophobicContact CD1-CD1 4.29Å; L456-I468 HydrophobicContact CD1-CG1 4.25Å; V458-I468 HydrophobicContact CB-CG2 4.36Å; V458-I468 HydrophobicContact CG1-CG2 3.86Å; V458-I468 HydrophobicContact CG2-CB 3.66Å; V458-I468 HydrophobicContact CG2-CG2 3.49Å; V458-I468 VanDerWaalsContact CG2-CG2 3.49Å; L466-I468 HydrophobicContact CD2-CG2 4.49Å; L466-I468 HydrophobicContact CG-CG2 4.44Å; L466-I468 PolarHBondContact O-N 3.25Å; I468-V502 HydrophobicContact CD1-CG1 4.25Å; I468-V502 HydrophobicContact CD1-CG2 4.14Å; I468-L511 HydrophobicContact CD1-CB 4.13Å; I468-L511 HydrophobicContact CG1-CB 3.72Å; I468-L511 WeakPolarHBondContact CG1-O 3.37Å; I468-L511 PolarHBondContact N-O 3.45Å; I468-A513 HydrophobicContact CG2-CB 3.75Å; I468-V547 HydrophobicContact CD1-CG2 4.22Å |
| 469 | G | 91.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H467 L511 | H467-G469 PolarHBondContact NE2-O 3.04Å; G469-L511 WeakPolarHBondContact O-CB 3.04Å; G469-L511 PolarHBondContact O-N 3.1Å |
| 470 | S | 93.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 55 Ų | 55 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.5 | 179.8 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | G509 | S470-G509 WeakPolarHBondContact CA-O 3.41Å |
| 471 | V | 94.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | trans | -99.3 | 154.6 | 164.6 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | F449 Y454 Y486 I504 G509 L511 V529 V545 | F449-V471 HydrophobicContact CD1-CB 4.44Å; F449-V471 HydrophobicContact CE1-CB 4.16Å; F449-V471 HydrophobicContact CE1-CG2 4.03Å; Y454-V471 HydrophobicContact CD1-CG1 4.22Å; Y454-V471 HydrophobicContact CD2-CB 4.45Å; Y454-V471 HydrophobicContact CD2-CG1 3.65Å; Y454-V471 HydrophobicContact CE1-CB 4.47Å; Y454-V471 HydrophobicContact CE1-CG1 4.31Å; Y454-V471 HydrophobicContact CE2-CB 4.06Å; Y454-V471 HydrophobicContact CE2-CG1 3.76Å; Y454-V471 HydrophobicContact CG-CG1 3.89Å; V471-Y486 HydrophobicContact CG2-CD1 4.12Å; V471-Y486 HydrophobicContact CG2-CE1 4.33Å; V471-I504 HydrophobicContact CG2-CD1 3.96Å; V471-G509 PolarHBondContact N-O 3.09Å; V471-L511 HydrophobicContact CG1-CD1 4.13Å; V471-V529 HydrophobicContact CG2-CG1 4.02Å; V471-V545 HydrophobicContact CG1-CG2 3.89Å | ||
| 472 | S | 94.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -139.3 | 134.7 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110 | F449 T450 Y454 | F449-S472 WeakPolarHBondContact CA-O 3.47Å; T450-S472 PolarHBondContact N-O 2.9Å; Y454-S472 PolarHBondContact OH-O 3.43Å; Y454-S472 VanDerWaalsContact OH-O 3.06Å | ||
| 473 | A | 95 | Very high | 92.9 | Very high | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P447 A448 F449 V484 Y486 A531 | P447-A473 HydrophobicContact CB-CB 4.34Å; A448-A473 CarbonylContact O-C 3.53Å; A448-A473 WeakPolarHBondContact O-CA 3.3Å; F449-A473 HydrophobicContact CD1-CB 3.85Å; F449-A473 HydrophobicContact CD2-CB 4.39Å; F449-A473 HydrophobicContact CE1-CB 4.14Å; F449-A473 HydrophobicContact CG-CB 4Å; A473-V484 HydrophobicContact CB-CG1 4.3Å; A473-Y486 HydrophobicContact CB-CE1 4.01Å; A473-Y486 PolarHBondContact N-OH 3.39Å; A473-Y486 PolarHBondContact O-OH 3.24Å; A473-Y486 VanDerWaalsContact O-OH 3.12Å; A473-A531 HydrophobicContact CB-CB 3.73Å |
| 474 | T | 94.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.2 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | A448 | A448-T474 PolarHBondContact N-O 3.23Å; A448-T474 PolarHBondContact O-N 3.31Å |
| 475 | D | 96 | Very high | 93.5 | Very high | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | trans | -92 | 162.1 | 167.9 | -142.8 | -56.6 | 0 | 0 | 0 | 110.9 | P447 D477 A482 V484 | P447-D475 VanDerWaalsContact CA-OD2 3.31Å; P447-D475 WeakPolarHBondContact CA-OD2 3.2Å; P447-D475 WeakPolarHBondContact CD-OD2 3.34Å; P447-D475 WeakPolarHBondContact CG-OD2 3.4Å; D475-D477 PolarHBondContact OD1-N 3.15Å; D475-A482 HydrophobicContact CB-CB 3.86Å; D475-V484 HydrophobicContact CB-CG2 4.07Å | ||
| 476 | R | 94.6 | Very high | 93.9 | Very high | 176 Ų | 176 | 48.8 Ų | 48.8 | 66% | 0.664 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -104.2 | -22 | 179 | -69.3 | -174 | 170.2 | -175.7 | -2.7 | 113.9 | R409 E410 N445 | R409-R476 PolarHBondContact NH2-O 2.55Å; E410-R476 HydrophobicContact CG-CB 3.74Å; N445-R476 HydrophobicContact CB-CB 4.16Å |
| 477 | D | 95.6 | Very high | 94 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -66.4 | -161.8 | -178.6 | -61.9 | -0.9 | 0 | 0 | 0 | 111.2 | N443 D444 N445 D475 N481 A482 | N443-D477 VanDerWaalsContact CA-OD2 3.25Å; N443-D477 WeakPolarHBondContact CA-OD2 3.45Å; D444-D477 PolarHBondContact N-OD2 2.78Å; N445-D477 WeakPolarHBondContact CB-OD1 3.42Å; N445-D477 PolarHBondContact N-OD1 3.41Å; N445-D477 PolarHBondContact N-OD2 2.68Å; N445-D477 PolarHBondContact ND2-OD1 2.84Å; D475-D477 PolarHBondContact OD1-N 3.15Å; D477-N481 HydrophobicContact CB-CB 3.59Å; D477-A482 VanDerWaalsContact C-CB 3.49Å; D477-A482 HydrophobicContact CB-CB 4.45Å; D477-A482 WeakPolarHBondContact O-CB 3.42Å |
| 478 | S | 93.3 | Very high | 94 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | trans | -135.8 | 159.4 | -174.5 | -164.4 | 0 | 0 | 0 | 0 | 113.5 | D441 T480 N481 A482 | D441-S478 VanDerWaalsContact CG-CB 3.49Å; D441-S478 VanDerWaalsContact CG-N 3.26Å; D441-S478 WeakPolarHBondContact OD1-CA 3.25Å; D441-S478 WeakPolarHBondContact OD1-CB 3.42Å; D441-S478 PolarHBondContact OD1-N 3.27Å; D441-S478 PolarHBondContact OD2-N 2.81Å; D441-S478 VanDerWaalsContact OD2-N 3.08Å; S478-T480 PolarHBondContact O-N 2.92Å; S478-T480 VanDerWaalsContact O-N 3.11Å; S478-N481 WeakPolarHBondContact O-CB 3.17Å; S478-N481 PolarHBondContact O-N 3.33Å; S478-A482 PolarHBondContact O-N 2.96Å | ||
| 479 | G | 91.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 47.6 Ų | 47.6 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -115.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 480 | T | 92.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -29.1 | 178.3 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | S478 Q483 R534 | S478-T480 PolarHBondContact O-N 2.92Å; S478-T480 VanDerWaalsContact O-N 3.11Å; T480-Q483 WeakPolarHBondContact O-CB 3.42Å; T480-Q483 PolarHBondContact O-N 3.12Å; T480-Q483 VanDerWaalsContact O-N 3.1Å; T480-R534 CarbonylContact O-C 3.55Å; T480-R534 WeakPolarHBondContact O-CB 3.31Å; T480-R534 PolarHBondContact O-N 2.91Å |
| 481 | N | 92.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -42.8 | -178.3 | -62.8 | -8.6 | 0 | 0 | 0 | 109.2 | D441 N443 D477 S478 Q483 D533 | D441-N481 WeakPolarHBondContact OD2-CB 3.42Å; D441-N481 PolarHBondContact OD2-ND2 3.47Å; N443-N481 HydrophobicContact CB-CB 4.07Å; N443-N481 PolarHBondContact N-ND2 2.85Å; N443-N481 WeakPolarHBondContact OD1-CA 3.42Å; N443-N481 WeakPolarHBondContact OD1-CB 3.39Å; N443-N481 PolarHBondContact OD1-OD1 3.42Å; D477-N481 HydrophobicContact CB-CB 3.59Å; S478-N481 WeakPolarHBondContact O-CB 3.17Å; S478-N481 PolarHBondContact O-N 3.33Å; N481-Q483 PolarHBondContact O-N 3.09Å; N481-D533 WeakPolarHBondContact O-CB 3.46Å |
| 482 | A | 93 | Very high | 92.3 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 4.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | D475 D477 S478 V484 | D475-A482 HydrophobicContact CB-CB 3.86Å; D477-A482 VanDerWaalsContact C-CB 3.49Å; D477-A482 HydrophobicContact CB-CB 4.45Å; D477-A482 WeakPolarHBondContact O-CB 3.42Å; S478-A482 PolarHBondContact O-N 2.96Å; A482-V484 PolarHBondContact O-N 2.75Å |
| 483 | Q | 94.3 | Very high | 91.5 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | trans | -82.3 | 84.8 | -178.9 | -168.6 | 174 | 22.1 | 0 | 0 | 112 | T480 N481 D533 R534 | T480-Q483 WeakPolarHBondContact O-CB 3.42Å; T480-Q483 PolarHBondContact O-N 3.12Å; T480-Q483 VanDerWaalsContact O-N 3.1Å; N481-Q483 PolarHBondContact O-N 3.09Å; Q483-D533 CarbonylContact O-C 3.57Å; Q483-R534 HydrophobicContact CB-CB 4.46Å; Q483-R534 HydrophobicContact CB-CG 4.45Å; Q483-R534 PolarHBondContact O-N 2.82Å; Q483-R534 VanDerWaalsContact OE1-NH1 3.09Å | ||
| 484 | V | 94.6 | Very high | 90.5 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | trans | -63.4 | 136.5 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | P447 A473 D475 A482 Y486 A531 | P447-V484 HydrophobicContact CB-CG1 4.08Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.44Å; P447-V484 HydrophobicContact CG-CG2 4.18Å; A473-V484 HydrophobicContact CB-CG1 4.3Å; D475-V484 HydrophobicContact CB-CG2 4.07Å; A482-V484 PolarHBondContact O-N 2.75Å; V484-Y486 HydrophobicContact CG1-CE1 4.25Å; V484-Y486 HydrophobicContact CG1-CE2 4.15Å; V484-A531 HydrophobicContact CG1-CB 3.83Å | ||
| 485 | T | 95.3 | Very high | 89.7 | Confident | 33 Ų | 33 | 69 Ų | 69 | 20% | 0.202 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.7 | 167.8 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | A506 A531 T532 R534 | T485-A506 WeakPolarHBondContact CA-O 3.31Å; T485-A531 WeakPolarHBondContact O-CA 3.39Å; T485-T532 PolarHBondContact N-O 3.48Å; T485-T532 PolarHBondContact O-N 3.15Å; T485-T532 PolarHBondContact OG1-O 3.34Å; T485-R534 HydrophobicContact CG2-CG 4.37Å; T485-R534 VanDerWaalsContact CG2-NE 3.27Å |
| 486 | Y | 95.8 | Very high | 89 | Confident | 22 Ų | 22 | 69 Ų | 69 | 9% | 0.086 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 141.1 | -177 | -58.5 | -89.4 | 0 | 0 | 0 | 112.2 | F449 V471 A473 V484 I504 A506 G509 G530 A531 | F449-Y486 HydrophobicContact CE1-CD1 4.21Å; F449-Y486 HydrophobicContact CE1-CE1 4.06Å; F449-Y486 HydrophobicContact CZ-CD1 4.5Å; V471-Y486 HydrophobicContact CG2-CD1 4.12Å; V471-Y486 HydrophobicContact CG2-CE1 4.33Å; A473-Y486 HydrophobicContact CB-CE1 4.01Å; A473-Y486 PolarHBondContact N-OH 3.39Å; A473-Y486 PolarHBondContact O-OH 3.24Å; A473-Y486 VanDerWaalsContact O-OH 3.12Å; V484-Y486 HydrophobicContact CG1-CE1 4.25Å; V484-Y486 HydrophobicContact CG1-CE2 4.15Å; Y486-I504 HydrophobicContact CG-CD1 4.47Å; Y486-A506 WeakPolarHBondContact CD2-O 3.18Å; Y486-A506 PolarHBondContact N-O 3.23Å; Y486-A506 WeakPolarHBondContact O-CA 3.14Å; Y486-G509 VanDerWaalsContact CD2-N 3.35Å; Y486-G530 WeakPolarHBondContact CA-O 3.4Å; Y486-A531 HydrophobicContact CD1-CB 4.31Å; Y486-A531 HydrophobicContact CE1-CB 4.35Å |
| 487 | S | 94.8 | Very high | 88.5 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.5 | 177.7 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | V529 G530 | S487-V529 WeakPolarHBondContact O-CA 3.16Å; S487-V529 WeakPolarHBondContact O-CG1 3.32Å; S487-G530 PolarHBondContact N-O 3.02Å; S487-G530 PolarHBondContact O-N 2.93Å |
| 488 | L | 93.3 | Very high | 88 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.3 | 169.1 | -64.7 | 179.1 | 0 | 0 | 0 | 108.8 | V502 I504 L511 F527 V529 | L488-V502 VanDerWaalsContact CD1-O 3.3Å; L488-V502 WeakPolarHBondContact CD1-O 3.48Å; L488-I504 HydrophobicContact CD2-CB 4.09Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; L488-I504 HydrophobicContact CG-CB 4.18Å; L488-I504 HydrophobicContact CG-CG2 3.83Å; L488-L511 HydrophobicContact CD2-CD2 4.17Å; L488-F527 HydrophobicContact CD2-CD2 3.83Å; L488-F527 HydrophobicContact CD2-CE2 3.68Å; L488-V529 HydrophobicContact CD2-CG2 4.19Å |
| 489 | L | 91.4 | Very high | 87.7 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 157.6 | 174.9 | -62.1 | 177.8 | 0 | 0 | 0 | 110.4 | R528 E542 | L489-R528 HydrophobicContact CB-CB 4.11Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; L489-R528 HydrophobicContact CG-CB 4.49Å; L489-R528 PolarHBondContact N-O 2.97Å; L489-E542 HydrophobicContact CD1-CB 3.75Å |
| 490 | P | 86.8 | Confident | 87.5 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 133.3 | 176.6 | -25.9 | 35.2 | 0 | 0 | 0 | 111.5 | ||
| 491 | P | 83.3 | Confident | 87.3 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 28% | 0.279 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.9 | 179.1 | 28 | -34.6 | 0 | 0 | 0 | 110.7 | D493 L496 L498 | P491-D493 VanDerWaalsContact C-N 3.31Å; P491-L496 HydrophobicContact CB-CD2 4.41Å; P491-L498 HydrophobicContact CB-CB 4.29Å; P491-L498 HydrophobicContact CB-CD2 4.25Å; P491-L498 HydrophobicContact CG-CB 4.18Å |
| 492 | Q | 75.8 | Confident | 87.3 | Confident | 155 Ų | 155 | 59.8 Ų | 59.8 | 72% | 0.724 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -69.9 | -30.7 | 176.3 | -68.4 | -169 | -24.9 | 0 | 0 | 112.2 | P494 | Q492-P494 WeakPolarHBondContact O-CD 3.23Š|
| 493 | D | 77.7 | Confident | 87.3 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -90.4 | 113.1 | 167.8 | -178.9 | 7 | 0 | 0 | 0 | 110.1 | P491 H495 L496 | P491-D493 VanDerWaalsContact C-N 3.31Å; D493-H495 PolarHBondContact O-N 3.42Å; D493-H495 WeakPolarHBondContact OD1-CB 3.28Å; D493-H495 IonicContact OD1-CD2 3.83Å; D493-H495 IonicContact OD1-CG 2.82Å; D493-H495 PolarHBondContact OD1-N 2.84Å; D493-L496 HydrophobicContact CB-CB 4.27Å; D493-L496 PolarHBondContact O-N 3.43Å |
| 494 | P | 74.1 | Confident | 87.4 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 74% | 0.74 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -11.9 | 177.1 | 30.6 | -36.6 | 0 | 0 | 0 | 113.6 | Q492 | Q492-P494 WeakPolarHBondContact O-CD 3.23Š|
| 495 | H | 76.9 | Confident | 87.4 | Confident | 166 Ų | 166 | 57.8 Ų | 57.8 | 77% | 0.769 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.6 | 174.5 | -63.9 | -72 | 0 | 0 | 0 | 113.2 | D493 P497 | D493-H495 PolarHBondContact O-N 3.42Å; D493-H495 WeakPolarHBondContact OD1-CB 3.28Å; D493-H495 IonicContact OD1-CD2 3.83Å; D493-H495 IonicContact OD1-CG 2.82Å; D493-H495 PolarHBondContact OD1-N 2.84Å; H495-P497 VanDerWaalsContact O-CD 3.3Å; H495-P497 WeakPolarHBondContact O-CD 3.07Å |
| 496 | L | 81.1 | Confident | 87.3 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -78.2 | 115.5 | 176.4 | -174.8 | 72.7 | 0 | 0 | 0 | 110.5 | P491 D493 L498 L501 L522 F525 | P491-L496 HydrophobicContact CB-CD2 4.41Å; D493-L496 HydrophobicContact CB-CB 4.27Å; D493-L496 PolarHBondContact O-N 3.43Å; L496-L498 HydrophobicContact CD2-CB 4.46Å; L496-L498 PolarHBondContact O-N 2.88Å; L496-L501 HydrophobicContact CD1-CD1 3.69Å; L496-L501 HydrophobicContact CG-CD1 4.2Å; L496-L522 HydrophobicContact CD1-CD2 4.41Å; L496-F525 HydrophobicContact CD1-CB 3.97Å; L496-F525 HydrophobicContact CD2-CB 4.08Å; L496-F525 HydrophobicContact CD2-CD2 4.32Å |
| 497 | P | 84.4 | Confident | 87.2 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | trans | -82.2 | 55.2 | -177.2 | 36.9 | -38.5 | 0 | 0 | 0 | 111.5 | H495 A499 S500 L501 | H495-P497 VanDerWaalsContact O-CD 3.3Å; H495-P497 WeakPolarHBondContact O-CD 3.07Å; P497-A499 VanDerWaalsContact C-N 3.32Å; P497-A499 PolarHBondContact O-N 2.91Å; P497-A499 VanDerWaalsContact O-N 3.16Å; P497-S500 PolarHBondContact O-N 3.4Å; P497-S500 PolarHBondContact O-OG 2.92Å; P497-L501 HydrophobicContact CG-CD1 4.31Å; P497-L501 PolarHBondContact O-N 2.75Å | ||
| 498 | L | 86.4 | Confident | 87 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -48.5 | -46.3 | -168.9 | 178.6 | 64.2 | 0 | 0 | 0 | 113.8 | P491 L496 S500 L501 V502 F525 F527 | P491-L498 HydrophobicContact CB-CB 4.29Å; P491-L498 HydrophobicContact CB-CD2 4.25Å; P491-L498 HydrophobicContact CG-CB 4.18Å; L496-L498 HydrophobicContact CD2-CB 4.46Å; L496-L498 PolarHBondContact O-N 2.88Å; L498-S500 PolarHBondContact O-N 2.92Å; L498-L501 PolarHBondContact O-N 2.85Å; L498-V502 HydrophobicContact CD1-CB 4.37Å; L498-V502 PolarHBondContact O-N 3.45Å; L498-F525 HydrophobicContact CD1-CE2 4.44Å; L498-F527 HydrophobicContact CD1-CB 3.74Å; L498-F527 HydrophobicContact CD1-CD1 3.66Å; L498-F527 HydrophobicContact CD1-CD2 4.34Å; L498-F527 HydrophobicContact CD1-CE1 4.31Å; L498-F527 HydrophobicContact CD1-CG 3.67Å; L498-F527 HydrophobicContact CD2-CB 3.5Å; L498-F527 VanDerWaalsContact CD2-CB 3.5Å; L498-F527 HydrophobicContact CD2-CD2 4.46Å; L498-F527 HydrophobicContact CD2-CG 4.08Å; L498-F527 HydrophobicContact CG-CB 4.27Å |
| 499 | A | 85.4 | Confident | 87 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 72% | 0.719 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -63.1 | -8.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P497 L514 | P497-A499 VanDerWaalsContact C-N 3.32Å; P497-A499 PolarHBondContact O-N 2.91Å; P497-A499 VanDerWaalsContact O-N 3.16Å; A499-L514 WeakPolarHBondContact O-CD1 3.49Å |
| 500 | S | 87.6 | Confident | 87.2 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -114 | -1.4 | 173.4 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | P497 L498 R515 | P497-S500 PolarHBondContact O-N 3.4Å; P497-S500 PolarHBondContact O-OG 2.92Å; L498-S500 PolarHBondContact O-N 2.92Å; S500-R515 PolarHBondContact O-NE 2.79Å; S500-R515 PolarHBondContact OG-NH2 3.17Å |
| 501 | L | 88.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -47.4 | 174.3 | -72 | 166.6 | 0 | 0 | 0 | 110.3 | L496 P497 L498 A513 L514 R515 L517 L522 | L496-L501 HydrophobicContact CD1-CD1 3.69Å; L496-L501 HydrophobicContact CG-CD1 4.2Å; P497-L501 HydrophobicContact CG-CD1 4.31Å; P497-L501 PolarHBondContact O-N 2.75Å; L498-L501 PolarHBondContact O-N 2.85Å; L501-A513 CarbonylContact O-C 3.54Å; L501-A513 WeakPolarHBondContact O-CA 3.4Å; L501-L514 PolarHBondContact O-N 3.3Å; L501-R515 HydrophobicContact CD2-CG 4.44Å; L501-L517 HydrophobicContact CD2-CD2 3.86Å; L501-L522 HydrophobicContact CD1-CD2 4.03Å; L501-L522 HydrophobicContact CD2-CD2 4.31Å |
| 502 | V | 92.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.3 | -172.9 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I468 L488 L498 L511 F512 F525 F527 | I468-V502 HydrophobicContact CD1-CG1 4.25Å; I468-V502 HydrophobicContact CD1-CG2 4.14Å; L488-V502 VanDerWaalsContact CD1-O 3.3Å; L488-V502 WeakPolarHBondContact CD1-O 3.48Å; L498-V502 HydrophobicContact CD1-CB 4.37Å; L498-V502 PolarHBondContact O-N 3.45Å; V502-L511 HydrophobicContact CG1-CB 4.45Å; V502-L511 HydrophobicContact CG1-CD2 3.8Å; V502-F512 CarbonylContact C-O 3.59Å; V502-F512 VanDerWaalsContact CA-O 3.27Å; V502-F512 WeakPolarHBondContact CA-O 3.44Å; V502-F525 HydrophobicContact CG2-CE2 3.69Å; V502-F525 HydrophobicContact CG2-CZ 3.8Å; V502-F527 HydrophobicContact CB-CZ 4.47Å; V502-F527 HydrophobicContact CG1-CE2 4.46Å; V502-F527 HydrophobicContact CG1-CZ 3.94Å; V502-F527 HydrophobicContact CG2-CE1 4.21Å; V502-F527 HydrophobicContact CG2-CZ 4.43Å |
| 503 | S | 93.8 | Very high | 88.9 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.9 | 162.2 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | L511 F512 | S503-L511 WeakPolarHBondContact O-CA 3.41Å; S503-F512 PolarHBondContact N-O 3.45Å; S503-F512 PolarHBondContact O-N 2.81Å |
| 504 | I | 95.4 | Very high | 89.5 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.8 | 170.7 | -162.7 | 167.3 | 0 | 0 | 0 | 110.1 | V471 Y486 L488 H510 L511 V529 | V471-I504 HydrophobicContact CG2-CD1 3.96Å; Y486-I504 HydrophobicContact CG-CD1 4.47Å; L488-I504 HydrophobicContact CD2-CB 4.09Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; L488-I504 HydrophobicContact CG-CB 4.18Å; L488-I504 HydrophobicContact CG-CG2 3.83Å; I504-H510 CarbonylContact C-O 3.55Å; I504-H510 WeakPolarHBondContact CA-O 3.39Å; I504-L511 HydrophobicContact CB-CD2 3.82Å; I504-L511 HydrophobicContact CD1-CD2 3.89Å; I504-L511 HydrophobicContact CD1-CG 4.41Å; I504-L511 HydrophobicContact CG1-CD2 3.82Å; I504-L511 HydrophobicContact CG1-CG 4.34Å; I504-V529 HydrophobicContact CD1-CB 4.45Å; I504-V529 HydrophobicContact CD1-CG1 3.36Å; I504-V529 HydrophobicContact CD1-CG2 4.2Å |
| 505 | S | 94.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | trans | -81.6 | 120.6 | 168.5 | 170.2 | 0 | 0 | 0 | 0 | 110 | D507 N508 G509 H510 | S505-D507 PolarHBondContact O-N 3.25Å; S505-N508 WeakPolarHBondContact CB-OD1 3.24Å; S505-N508 PolarHBondContact OG-OD1 2.89Å; S505-G509 PolarHBondContact O-N 2.84Å; S505-H510 PolarHBondContact N-O 2.9Å | ||
| 506 | A | 93.8 | Very high | 91 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T485 Y486 | T485-A506 WeakPolarHBondContact CA-O 3.31Å; Y486-A506 WeakPolarHBondContact CD2-O 3.18Å; Y486-A506 PolarHBondContact N-O 3.23Å; Y486-A506 WeakPolarHBondContact O-CA 3.14Å |
| 507 | D | 92.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -20.9 | -173.7 | -55.6 | -43.8 | 0 | 0 | 0 | 113.7 | S505 | S505-D507 PolarHBondContact O-N 3.25Š|
| 508 | N | 91.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 6.4 | -171.9 | 69.8 | 9.6 | 0 | 0 | 0 | 115.4 | S505 H510 | S505-N508 WeakPolarHBondContact CB-OD1 3.24Å; S505-N508 PolarHBondContact OG-OD1 2.89Å; N508-H510 PolarHBondContact O-N 3.34Å; N508-H510 VanDerWaalsContact O-N 3.09Å; N508-H510 PolarHBondContact O-ND1 3.47Å; N508-H510 WeakPolarHBondContact OD1-CB 3.41Å; N508-H510 VanDerWaalsContact OD1-CG 3.32Å; N508-H510 PolarHBondContact OD1-N 2.92Å |
| 509 | G | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 66.2 | 12.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S470 V471 Y486 S505 | S470-G509 WeakPolarHBondContact CA-O 3.41Å; V471-G509 PolarHBondContact N-O 3.09Å; Y486-G509 VanDerWaalsContact CD2-N 3.35Å; S505-G509 PolarHBondContact O-N 2.84Å | ||
| 510 | H | 95.1 | Very high | 92.5 | Very high | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.31 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.3 | 177 | -68.6 | 13.2 | 0 | 0 | 0 | 111 | H467 I504 S505 N508 F512 | H467-H510 AromaticContact NE2-CD2 3.94Å; H467-H510 AromaticContact NE2-CG 3.79Å; I504-H510 CarbonylContact C-O 3.55Å; I504-H510 WeakPolarHBondContact CA-O 3.39Å; S505-H510 PolarHBondContact N-O 2.9Å; N508-H510 PolarHBondContact O-N 3.34Å; N508-H510 VanDerWaalsContact O-N 3.09Å; N508-H510 PolarHBondContact O-ND1 3.47Å; N508-H510 WeakPolarHBondContact OD1-CB 3.41Å; N508-H510 VanDerWaalsContact OD1-CG 3.32Å; N508-H510 PolarHBondContact OD1-N 2.92Å; H510-F512 HydrophobicContact CB-CE2 3.67Å; H510-F512 HydrophobicContact CB-CZ 3.95Å |
| 511 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.6 | -179.7 | -69.5 | 163.1 | 0 | 0 | 0 | 110.5 | L456 I468 G469 V471 L488 V502 S503 I504 F527 V545 | L456-L511 HydrophobicContact CD1-CD1 3.78Å; I468-L511 HydrophobicContact CD1-CB 4.13Å; I468-L511 HydrophobicContact CG1-CB 3.72Å; I468-L511 WeakPolarHBondContact CG1-O 3.37Å; I468-L511 PolarHBondContact N-O 3.45Å; G469-L511 WeakPolarHBondContact O-CB 3.04Å; G469-L511 PolarHBondContact O-N 3.1Å; V471-L511 HydrophobicContact CG1-CD1 4.13Å; L488-L511 HydrophobicContact CD2-CD2 4.17Å; V502-L511 HydrophobicContact CG1-CB 4.45Å; V502-L511 HydrophobicContact CG1-CD2 3.8Å; S503-L511 WeakPolarHBondContact O-CA 3.41Å; I504-L511 HydrophobicContact CB-CD2 3.82Å; I504-L511 HydrophobicContact CD1-CD2 3.89Å; I504-L511 HydrophobicContact CD1-CG 4.41Å; I504-L511 HydrophobicContact CG1-CD2 3.82Å; I504-L511 HydrophobicContact CG1-CG 4.34Å; L511-F527 HydrophobicContact CD1-CZ 4.3Å; L511-F527 HydrophobicContact CD2-CE2 3.97Å; L511-F527 HydrophobicContact CD2-CZ 4.12Å; L511-V545 HydrophobicContact CD1-CG1 4.09Å; L511-V545 HydrophobicContact CD1-CG2 4.39Å |
| 512 | F | 93.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 49 Ų | 49 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.6 | -179.1 | -58.7 | -93.4 | 0 | 0 | 0 | 111.3 | L466 H467 V502 S503 H510 | L466-F512 CarbonylContact O-C 3.54Å; L466-F512 VanDerWaalsContact O-CA 3.24Å; L466-F512 WeakPolarHBondContact O-CA 3.25Å; H467-F512 HydrophobicContact CB-CD1 3.98Å; H467-F512 HydrophobicContact CB-CE1 3.84Å; V502-F512 CarbonylContact C-O 3.59Å; V502-F512 VanDerWaalsContact CA-O 3.27Å; V502-F512 WeakPolarHBondContact CA-O 3.44Å; S503-F512 PolarHBondContact N-O 3.45Å; S503-F512 PolarHBondContact O-N 2.81Å; H510-F512 HydrophobicContact CB-CE2 3.67Å; H510-F512 HydrophobicContact CB-CZ 3.95Å |
| 513 | A | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A465 L466 I468 L501 R515 | A465-A513 WeakPolarHBondContact CA-O 3.32Å; A465-A513 PolarHBondContact N-O 2.84Å; L466-A513 PolarHBondContact N-O 2.72Å; L466-A513 PolarHBondContact O-N 3.23Å; I468-A513 HydrophobicContact CG2-CB 3.75Å; L501-A513 CarbonylContact O-C 3.54Å; L501-A513 WeakPolarHBondContact O-CA 3.4Å; A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.29Å |
| 514 | L | 91.3 | Very high | 92.5 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -77.4 | -17.3 | -175.9 | -69.1 | 176 | 0 | 0 | 0 | 113.7 | A499 L501 | A499-L514 WeakPolarHBondContact O-CD1 3.49Å; L501-L514 PolarHBondContact O-N 3.3Å |
| 515 | R | 89.9 | Confident | 92.3 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -141.9 | 169.1 | 177.6 | 52.9 | 172.3 | 139.4 | 153 | -3.9 | 110.8 | N462 S500 L501 A513 L517 | N462-R515 PolarHBondContact ND2-O 3.12Å; S500-R515 PolarHBondContact O-NE 2.79Å; S500-R515 PolarHBondContact OG-NH2 3.17Å; L501-R515 HydrophobicContact CD2-CG 4.44Å; A513-R515 VanDerWaalsContact C-N 3.32Å; A513-R515 PolarHBondContact O-N 3.29Å; R515-L517 PolarHBondContact O-N 2.71Å |
| 516 | S | 91.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | trans | -60.5 | 130.2 | 163.1 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | N462 | N462-S516 WeakPolarHBondContact O-CA 3.38Å; N462-S516 VanDerWaalsContact O-CB 3.31Å; N462-S516 WeakPolarHBondContact O-CB 3.45Å | ||
| 517 | L | 91.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | trans | -84.8 | 156.3 | 165.5 | -57.3 | 178.2 | 0 | 0 | 0 | 109 | V458 E460 N461 N462 L501 R515 F525 V549 | V458-L517 HydrophobicContact CB-CD1 4.19Å; V458-L517 HydrophobicContact CG1-CD1 3.87Å; E460-L517 WeakPolarHBondContact CA-O 3.14Å; E460-L517 WeakPolarHBondContact CB-O 3.05Å; N461-L517 PolarHBondContact N-O 3.03Å; N462-L517 PolarHBondContact OD1-N 3.02Å; L501-L517 HydrophobicContact CD2-CD2 3.86Å; R515-L517 PolarHBondContact O-N 2.71Å; L517-F525 HydrophobicContact CD1-CE1 4.15Å; L517-F525 HydrophobicContact CD2-CE1 4.34Å; L517-V549 HydrophobicContact CB-CG1 4.29Å; L517-V549 HydrophobicContact CB-CG2 4.24Å; L517-V549 HydrophobicContact CD1-CG2 3.85Å | ||
| 518 | D | 91.8 | Very high | 92.2 | Very high | 81 Ų | 81 | 53.9 Ų | 53.9 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | trans | -137.5 | 117.6 | -171.6 | 161.6 | -22.7 | 0 | 0 | 0 | 104.2 | E520 A521 L522 | D518-E520 PolarHBondContact OD1-N 2.9Å; D518-A521 HydrophobicContact CB-CB 4.12Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 VanDerWaalsContact OD1-CB 3.28Å; D518-A521 WeakPolarHBondContact OD1-CB 3.22Å; D518-A521 PolarHBondContact OD1-N 2.89Å; D518-L522 PolarHBondContact O-N 2.78Å | ||
| 519 | Y | 93.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -39 | -171.9 | 178.6 | -93 | 0 | 0 | 0 | 111.5 | E460 A521 L522 Q523 V549 D551 | E460-Y519 WeakPolarHBondContact OE2-CB 3.12Å; E460-Y519 PolarHBondContact OE2-N 3.2Å; Y519-A521 PolarHBondContact O-N 2.96Å; Y519-L522 PolarHBondContact O-N 2.86Å; Y519-Q523 HydrophobicContact CD1-CG 4.22Å; Y519-Q523 HydrophobicContact CD2-CB 4.37Å; Y519-Q523 HydrophobicContact CD2-CG 4.1Å; Y519-Q523 HydrophobicContact CE1-CG 3.92Å; Y519-Q523 HydrophobicContact CE2-CB 4.01Å; Y519-Q523 HydrophobicContact CE2-CG 3.81Å; Y519-Q523 HydrophobicContact CG-CG 4.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.2Å; Y519-Q523 PolarHBondContact O-N 2.81Å; Y519-V549 HydrophobicContact CD2-CB 4.14Å; Y519-V549 HydrophobicContact CD2-CG1 4.13Å; Y519-V549 WeakPolarHBondContact CD2-O 3.27Å; Y519-V549 WeakPolarHBondContact CE2-O 3.3Å; Y519-D551 HydrophobicContact CD1-CB 3.84Å; Y519-D551 HydrophobicContact CD2-CB 3.94Å; Y519-D551 HydrophobicContact CE1-CB 3.98Å; Y519-D551 HydrophobicContact CE2-CB 4.05Å; Y519-D551 HydrophobicContact CG-CB 3.83Å |
| 520 | E | 92.2 | Very high | 92.5 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.1 | 178.5 | -70.9 | 62.2 | -120.3 | 0 | 0 | 111.8 | D518 N555 G592 | D518-E520 PolarHBondContact OD1-N 2.9Å; E520-N555 PolarHBondContact OE2-ND2 2.87Å; E520-G592 WeakPolarHBondContact CG-O 3.12Å |
| 521 | A | 89.7 | Confident | 92.5 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 63% | 0.628 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D518 Y519 | D518-A521 HydrophobicContact CB-CB 4.12Å; D518-A521 VanDerWaalsContact CG-CB 3.45Å; D518-A521 VanDerWaalsContact OD1-CB 3.28Å; D518-A521 WeakPolarHBondContact OD1-CB 3.22Å; D518-A521 PolarHBondContact OD1-N 2.89Å; Y519-A521 PolarHBondContact O-N 2.96Å |
| 522 | L | 89.6 | Confident | 92.5 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | trans | -151.4 | 87 | -174.2 | -171.9 | 65.1 | 0 | 0 | 0 | 112.9 | L496 L501 D518 Y519 E524 F525 V549 | L496-L522 HydrophobicContact CD1-CD2 4.41Å; L501-L522 HydrophobicContact CD1-CD2 4.03Å; L501-L522 HydrophobicContact CD2-CD2 4.31Å; D518-L522 PolarHBondContact O-N 2.78Å; Y519-L522 PolarHBondContact O-N 2.86Å; L522-E524 WeakPolarHBondContact CD1-O 3.17Å; L522-F525 HydrophobicContact CD1-CB 4.43Å; L522-F525 HydrophobicContact CD2-CB 4.35Å; L522-F525 HydrophobicContact CD2-CD1 3.58Å; L522-F525 HydrophobicContact CD2-CE1 4.15Å; L522-F525 HydrophobicContact CD2-CG 4.16Å; L522-F525 HydrophobicContact CG-CD1 4.03Å; L522-V549 WeakPolarHBondContact O-CG2 3.26Å | ||
| 523 | Q | 91.6 | Very high | 92.6 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -66.8 | -35.8 | 180 | -60.7 | -177.9 | -10.6 | 0 | 0 | 113.8 | Y519 V549 | Y519-Q523 HydrophobicContact CD1-CG 4.22Å; Y519-Q523 HydrophobicContact CD2-CB 4.37Å; Y519-Q523 HydrophobicContact CD2-CG 4.1Å; Y519-Q523 HydrophobicContact CE1-CG 3.92Å; Y519-Q523 HydrophobicContact CE2-CB 4.01Å; Y519-Q523 HydrophobicContact CE2-CG 3.81Å; Y519-Q523 HydrophobicContact CG-CG 4.31Å; Y519-Q523 WeakPolarHBondContact O-CG 3.2Å; Y519-Q523 PolarHBondContact O-N 2.81Å; Q523-V549 WeakPolarHBondContact O-CB 3.4Å; Q523-V549 PolarHBondContact O-N 2.88Å |
| 524 | E | 91.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.7 | 177 | 68.9 | 175.3 | 158.8 | 0 | 0 | 112.7 | L522 R546 V547 L548 | L522-E524 WeakPolarHBondContact CD1-O 3.17Å; E524-R546 IonicContact OE1-NH2 2.8Å; E524-R546 IonicContact OE2-CZ 3Å; E524-R546 IonicContact OE2-NE 3.55Å; E524-R546 PolarHBondContact OE2-NE 2.93Å; E524-R546 IonicContact OE2-NH2 2.77Å; E524-R546 PolarHBondContact OE2-NH2 3.34Å; E524-V547 WeakPolarHBondContact CA-O 3.34Å; E524-L548 HydrophobicContact CB-CD2 3.74Å |
| 525 | F | 91.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 151.5 | 167.1 | 60.8 | -81.2 | 0 | 0 | 0 | 111.5 | L496 L498 V502 L517 L522 F527 V547 | L496-F525 HydrophobicContact CD1-CB 3.97Å; L496-F525 HydrophobicContact CD2-CB 4.08Å; L496-F525 HydrophobicContact CD2-CD2 4.32Å; L498-F525 HydrophobicContact CD1-CE2 4.44Å; V502-F525 HydrophobicContact CG2-CE2 3.69Å; V502-F525 HydrophobicContact CG2-CZ 3.8Å; L517-F525 HydrophobicContact CD1-CE1 4.15Å; L517-F525 HydrophobicContact CD2-CE1 4.34Å; L522-F525 HydrophobicContact CD1-CB 4.43Å; L522-F525 HydrophobicContact CD2-CB 4.35Å; L522-F525 HydrophobicContact CD2-CD1 3.58Å; L522-F525 HydrophobicContact CD2-CE1 4.15Å; L522-F525 HydrophobicContact CD2-CG 4.16Å; L522-F525 HydrophobicContact CG-CD1 4.03Å; F525-F527 AromaticContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CE1 4.24Å; F525-F527 AromaticContact CE2-CD1 3.91Å; F525-F527 HydrophobicContact CE2-CD1 3.91Å; F525-F527 AromaticContact CE2-CE1 3.77Å; F525-F527 HydrophobicContact CE2-CE1 3.77Å; F525-V547 HydrophobicContact CD1-CB 4.19Å; F525-V547 HydrophobicContact CD1-CG1 4.43Å; F525-V547 HydrophobicContact CD2-CB 4.45Å; F525-V547 HydrophobicContact CE1-CB 3.76Å; F525-V547 HydrophobicContact CE1-CG1 3.66Å; F525-V547 HydrophobicContact CE2-CB 4.05Å; F525-V547 HydrophobicContact CE2-CG2 4.05Å; F525-V547 HydrophobicContact CZ-CB 3.68Å; F525-V547 HydrophobicContact CZ-CG1 3.76Å; F525-V547 HydrophobicContact CZ-CG2 3.95Å; F525-V547 PolarHBondContact N-O 3.25Å; F525-V547 VanDerWaalsContact N-O 3.1Å; F525-V547 PolarHBondContact O-N 2.92Å |
| 526 | E | 92.4 | Very high | 92.5 | Very high | 94 Ų | 94 | 50 Ų | 50 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.2 | -180 | -64.6 | -169.2 | 168 | 0 | 0 | 111.2 | L544 V545 R546 | E526-L544 HydrophobicContact CB-CD1 4.27Å; E526-V545 WeakPolarHBondContact CA-O 3.46Å; E526-R546 HydrophobicContact CG-CB 3.95Å; E526-R546 HydrophobicContact CG-CG 3.83Å; E526-R546 VanDerWaalsContact OE1-CD 3.29Å; E526-R546 WeakPolarHBondContact OE1-CD 3.31Å; E526-R546 IonicContact OE1-NE 3.54Å |
| 527 | F | 92.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 162.9 | 173.6 | 58.7 | -87 | 0 | 0 | 0 | 111.1 | L488 L498 V502 L511 F525 V529 V545 V547 | L488-F527 HydrophobicContact CD2-CD2 3.83Å; L488-F527 HydrophobicContact CD2-CE2 3.68Å; L498-F527 HydrophobicContact CD1-CB 3.74Å; L498-F527 HydrophobicContact CD1-CD1 3.66Å; L498-F527 HydrophobicContact CD1-CD2 4.34Å; L498-F527 HydrophobicContact CD1-CE1 4.31Å; L498-F527 HydrophobicContact CD1-CG 3.67Å; L498-F527 HydrophobicContact CD2-CB 3.5Å; L498-F527 VanDerWaalsContact CD2-CB 3.5Å; L498-F527 HydrophobicContact CD2-CD2 4.46Å; L498-F527 HydrophobicContact CD2-CG 4.08Å; L498-F527 HydrophobicContact CG-CB 4.27Å; V502-F527 HydrophobicContact CB-CZ 4.47Å; V502-F527 HydrophobicContact CG1-CE2 4.46Å; V502-F527 HydrophobicContact CG1-CZ 3.94Å; V502-F527 HydrophobicContact CG2-CE1 4.21Å; V502-F527 HydrophobicContact CG2-CZ 4.43Å; L511-F527 HydrophobicContact CD1-CZ 4.3Å; L511-F527 HydrophobicContact CD2-CE2 3.97Å; L511-F527 HydrophobicContact CD2-CZ 4.12Å; F525-F527 AromaticContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CD1 3.95Å; F525-F527 HydrophobicContact CD2-CE1 4.24Å; F525-F527 AromaticContact CE2-CD1 3.91Å; F525-F527 HydrophobicContact CE2-CD1 3.91Å; F525-F527 AromaticContact CE2-CE1 3.77Å; F525-F527 HydrophobicContact CE2-CE1 3.77Å; F527-V529 HydrophobicContact CD2-CG2 4.02Å; F527-V529 HydrophobicContact CE2-CG2 3.73Å; F527-V545 HydrophobicContact CD2-CB 4.19Å; F527-V545 HydrophobicContact CE1-CB 4.2Å; F527-V545 HydrophobicContact CE1-CG1 4Å; F527-V545 HydrophobicContact CE2-CB 3.78Å; F527-V545 HydrophobicContact CE2-CG1 4.08Å; F527-V545 HydrophobicContact CE2-CG2 4.17Å; F527-V545 HydrophobicContact CZ-CB 3.78Å; F527-V545 HydrophobicContact CZ-CG1 3.59Å; F527-V545 PolarHBondContact N-O 2.76Å; F527-V545 PolarHBondContact O-N 3.48Å; F527-V547 HydrophobicContact CE1-CG2 3.73Å; F527-V547 HydrophobicContact CZ-CG2 4.38Å |
| 528 | R | 93.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 54 Ų | 54 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.7 | 175.4 | -61.4 | -177.3 | -174.1 | -101.5 | -17 | 110.2 | L489 E542 A543 L544 | L489-R528 HydrophobicContact CB-CB 4.11Å; L489-R528 HydrophobicContact CD1-CB 3.94Å; L489-R528 HydrophobicContact CG-CB 4.49Å; L489-R528 PolarHBondContact N-O 2.97Å; R528-E542 VanDerWaalsContact CD-OE2 3.32Å; R528-E542 WeakPolarHBondContact CD-OE2 3.18Å; R528-E542 IonicContact CZ-OE1 2.67Å; R528-E542 IonicContact NE-OE1 3.05Å; R528-E542 IonicContact NH1-OE1 3.27Å; R528-E542 PolarHBondContact NH1-OE1 2.94Å; R528-A543 WeakPolarHBondContact CA-O 3.14Å; R528-L544 HydrophobicContact CG-CD1 4.24Å |
| 529 | V | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.5 | 170.2 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | F449 V471 S487 L488 I504 F527 E542 A543 V545 | F449-V529 HydrophobicContact CE1-CG1 4.38Å; F449-V529 HydrophobicContact CZ-CB 4.38Å; F449-V529 HydrophobicContact CZ-CG1 4.11Å; F449-V529 WeakPolarHBondContact CZ-O 3.32Å; V471-V529 HydrophobicContact CG2-CG1 4.02Å; S487-V529 WeakPolarHBondContact O-CA 3.16Å; S487-V529 WeakPolarHBondContact O-CG1 3.32Å; L488-V529 HydrophobicContact CD2-CG2 4.19Å; I504-V529 HydrophobicContact CD1-CB 4.45Å; I504-V529 HydrophobicContact CD1-CG1 3.36Å; I504-V529 HydrophobicContact CD1-CG2 4.2Å; F527-V529 HydrophobicContact CD2-CG2 4.02Å; F527-V529 HydrophobicContact CE2-CG2 3.73Å; V529-E542 VanDerWaalsContact O-CA 3.27Å; V529-E542 WeakPolarHBondContact O-CA 3.3Å; V529-A543 PolarHBondContact N-O 2.83Å; V529-A543 PolarHBondContact O-N 3.48Å; V529-V545 HydrophobicContact CG2-CG2 3.65Å |
| 530 | G | 94.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y486 S487 S541 | Y486-G530 WeakPolarHBondContact CA-O 3.4Å; S487-G530 PolarHBondContact N-O 3.02Å; S487-G530 PolarHBondContact O-N 2.93Å; G530-S541 WeakPolarHBondContact CA-O 3.41Å |
| 531 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | P447 F449 A473 V484 T485 Y486 S540 S541 | P447-A531 HydrophobicContact CB-CB 3.93Å; F449-A531 HydrophobicContact CD2-CB 4.36Å; F449-A531 HydrophobicContact CE1-CB 4.18Å; F449-A531 HydrophobicContact CE2-CB 3.54Å; F449-A531 HydrophobicContact CZ-CB 3.44Å; F449-A531 VanDerWaalsContact CZ-CB 3.44Å; A473-A531 HydrophobicContact CB-CB 3.73Å; V484-A531 HydrophobicContact CG1-CB 3.83Å; T485-A531 WeakPolarHBondContact O-CA 3.39Å; Y486-A531 HydrophobicContact CD1-CB 4.31Å; Y486-A531 HydrophobicContact CE1-CB 4.35Å; A531-S540 CarbonylContact O-C 3.6Å; A531-S540 WeakPolarHBondContact O-CA 3.4Å; A531-S540 VanDerWaalsContact O-CB 3.3Å; A531-S540 WeakPolarHBondContact O-CB 3.46Å; A531-S541 PolarHBondContact N-O 2.83Å; A531-S541 PolarHBondContact O-N 2.88Å |
| 532 | T | 95.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 54 Ų | 54 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.8 | -178.1 | -50.9 | 0 | 0 | 0 | 0 | 108.7 | T485 A538 L539 | T485-T532 PolarHBondContact N-O 3.48Å; T485-T532 PolarHBondContact O-N 3.15Å; T485-T532 PolarHBondContact OG1-O 3.34Å; T532-A538 HydrophobicContact CG2-CB 4.2Å; T532-L539 WeakPolarHBondContact CA-O 3.34Å; T532-L539 WeakPolarHBondContact CG2-O 2.77Å |
| 533 | D | 95.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | trans | -69.5 | -170.7 | 173 | 62.2 | 42.4 | 0 | 0 | 0 | 112.5 | N443 P447 N481 Q483 G535 A538 L539 | N443-D533 PolarHBondContact ND2-OD2 2.89Å; N443-D533 PolarHBondContact OD1-OD2 3.03Å; P447-D533 HydrophobicContact CG-CB 4.01Å; N481-D533 WeakPolarHBondContact O-CB 3.46Å; Q483-D533 CarbonylContact O-C 3.57Å; D533-G535 WeakPolarHBondContact OD1-CA 3.33Å; D533-G535 PolarHBondContact OD1-N 2.79Å; D533-A538 WeakPolarHBondContact OD1-CA 3.28Å; D533-A538 VanDerWaalsContact OD1-CB 3.28Å; D533-A538 WeakPolarHBondContact OD1-CB 3.39Å; D533-L539 VanDerWaalsContact CG-N 3.26Å; D533-L539 PolarHBondContact N-O 3.4Å; D533-L539 VanDerWaalsContact N-O 3.09Å; D533-L539 PolarHBondContact OD1-N 2.74Å; D533-L539 VanDerWaalsContact OD1-N 3.12Å; D533-L539 VanDerWaalsContact OD2-CA 3.23Å; D533-L539 WeakPolarHBondContact OD2-CA 3.27Å; D533-L539 WeakPolarHBondContact OD2-CB 3.34Å; D533-L539 PolarHBondContact OD2-N 2.86Å | ||
| 534 | R | 93.1 | Very high | 93.7 | Very high | 118 Ų | 118 | 49 Ų | 49 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -119.4 | 30.4 | 167 | -64.7 | -179.5 | -179.3 | -175.9 | -1.4 | 112.1 | T480 Q483 T485 | T480-R534 CarbonylContact O-C 3.55Å; T480-R534 WeakPolarHBondContact O-CB 3.31Å; T480-R534 PolarHBondContact O-N 2.91Å; Q483-R534 HydrophobicContact CB-CB 4.46Å; Q483-R534 HydrophobicContact CB-CG 4.45Å; Q483-R534 PolarHBondContact O-N 2.82Å; Q483-R534 VanDerWaalsContact OE1-NH1 3.09Å; T485-R534 HydrophobicContact CG2-CG 4.37Å; T485-R534 VanDerWaalsContact CG2-NE 3.27Å |
| 535 | G | 90.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | -69 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | N443 D533 P537 | N443-G535 WeakPolarHBondContact OD1-CA 3.39Å; D533-G535 WeakPolarHBondContact OD1-CA 3.33Å; D533-G535 PolarHBondContact OD1-N 2.79Å; G535-P537 CarbonylContact C-O 3.54Å | ||
| 536 | S | 87.7 | Confident | 93.9 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 82% | 0.818 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -149.2 | 98 | 174 | -76.1 | 0 | 0 | 0 | 0 | 110 | ||
| 537 | P | 92.6 | Very high | 94 | Very high | 100 Ų | 100 | 43.7 Ų | 43.7 | 65% | 0.649 | 24% | 0.244 | S | C | * | . | S | Bend | cis | -66.7 | 149.5 | 3.5 | 31.2 | -36.6 | 0 | 0 | 0 | 112.3 | N443 G535 | N443-P537 PolarHBondContact ND2-O 2.92Å; G535-P537 CarbonylContact C-O 3.54Å |
| 538 | A | 94.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 129.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T532 D533 | T532-A538 HydrophobicContact CG2-CB 4.2Å; D533-A538 WeakPolarHBondContact OD1-CA 3.28Å; D533-A538 VanDerWaalsContact OD1-CB 3.28Å; D533-A538 WeakPolarHBondContact OD1-CB 3.39Å |
| 539 | L | 94.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 42 Ų | 42 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -99.8 | 158.2 | 175.1 | -54.3 | 175.1 | 0 | 0 | 0 | 110.2 | N443 N445 A446 T532 D533 | N443-L539 WeakPolarHBondContact ND2-CG 3.48Å; N445-L539 WeakPolarHBondContact O-CD1 3.31Å; A446-L539 HydrophobicContact CB-CB 3.8Å; T532-L539 WeakPolarHBondContact CA-O 3.34Å; T532-L539 WeakPolarHBondContact CG2-O 2.77Å; D533-L539 VanDerWaalsContact CG-N 3.26Å; D533-L539 PolarHBondContact N-O 3.4Å; D533-L539 VanDerWaalsContact N-O 3.09Å; D533-L539 PolarHBondContact OD1-N 2.74Å; D533-L539 VanDerWaalsContact OD1-N 3.12Å; D533-L539 VanDerWaalsContact OD2-CA 3.23Å; D533-L539 WeakPolarHBondContact OD2-CA 3.27Å; D533-L539 WeakPolarHBondContact OD2-CB 3.34Å; D533-L539 PolarHBondContact OD2-N 2.86Å |
| 540 | S | 94.9 | Very high | 94 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155 | -176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | A531 | A531-S540 CarbonylContact O-C 3.6Å; A531-S540 WeakPolarHBondContact O-CA 3.4Å; A531-S540 VanDerWaalsContact O-CB 3.3Å; A531-S540 WeakPolarHBondContact O-CB 3.46Å |
| 541 | S | 95.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 170.9 | 168.8 | 76.9 | 0 | 0 | 0 | 0 | 110.8 | P447 F449 G530 A531 | P447-S541 WeakPolarHBondContact O-CB 3.2Å; P447-S541 PolarHBondContact O-OG 2.94Å; F449-S541 VanDerWaalsContact CD2-OG 3.25Å; F449-S541 WeakPolarHBondContact CD2-OG 3.47Å; F449-S541 WeakPolarHBondContact CE2-OG 3.45Å; G530-S541 WeakPolarHBondContact CA-O 3.41Å; A531-S541 PolarHBondContact N-O 2.83Å; A531-S541 PolarHBondContact O-N 2.88Å |
| 542 | E | 95.1 | Very high | 93.7 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.8 | 176.5 | 54.2 | 165.1 | -137.7 | 0 | 0 | 112.2 | L489 R528 V529 | L489-E542 HydrophobicContact CD1-CB 3.75Å; R528-E542 VanDerWaalsContact CD-OE2 3.32Å; R528-E542 WeakPolarHBondContact CD-OE2 3.18Å; R528-E542 IonicContact CZ-OE1 2.67Å; R528-E542 IonicContact NE-OE1 3.05Å; R528-E542 IonicContact NH1-OE1 3.27Å; R528-E542 PolarHBondContact NH1-OE1 2.94Å; V529-E542 VanDerWaalsContact O-CA 3.27Å; V529-E542 WeakPolarHBondContact O-CA 3.3Å |
| 543 | A | 94.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F449 Y454 R528 V529 | F449-A543 HydrophobicContact CB-CB 4.07Å; F449-A543 HydrophobicContact CD1-CB 3.89Å; F449-A543 HydrophobicContact CD2-CB 3.66Å; F449-A543 HydrophobicContact CE1-CB 4.2Å; F449-A543 HydrophobicContact CE2-CB 3.99Å; F449-A543 HydrophobicContact CG-CB 3.6Å; F449-A543 HydrophobicContact CZ-CB 4.24Å; Y454-A543 HydrophobicContact CD2-CB 4.21Å; Y454-A543 HydrophobicContact CE2-CB 3.82Å; R528-A543 WeakPolarHBondContact CA-O 3.14Å; V529-A543 PolarHBondContact N-O 2.83Å; V529-A543 PolarHBondContact O-N 3.48Å |
| 544 | L | 94.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 134 | 176 | -172.9 | 67.9 | 0 | 0 | 0 | 110.1 | T452 S453 Y454 E526 R528 | T452-L544 PolarHBondContact O-N 3.4Å; T452-L544 VanDerWaalsContact O-N 3.09Å; S453-L544 CarbonylContact C-O 3.51Å; S453-L544 VanDerWaalsContact CA-O 3.22Å; S453-L544 WeakPolarHBondContact CA-O 3.29Å; Y454-L544 PolarHBondContact N-O 2.78Å; E526-L544 HydrophobicContact CB-CD1 4.27Å; R528-L544 HydrophobicContact CG-CD1 4.24Å |
| 545 | V | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.8 | 171.1 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | Y454 L456 V471 L511 E526 F527 V529 V547 | Y454-V545 HydrophobicContact CD2-CG2 4.36Å; Y454-V545 WeakPolarHBondContact O-CA 3.48Å; L456-V545 HydrophobicContact CD1-CG1 3.86Å; L456-V545 HydrophobicContact CG-CG1 4.22Å; V471-V545 HydrophobicContact CG1-CG2 3.89Å; L511-V545 HydrophobicContact CD1-CG1 4.09Å; L511-V545 HydrophobicContact CD1-CG2 4.39Å; E526-V545 WeakPolarHBondContact CA-O 3.46Å; F527-V545 HydrophobicContact CD2-CB 4.19Å; F527-V545 HydrophobicContact CE1-CB 4.2Å; F527-V545 HydrophobicContact CE1-CG1 4Å; F527-V545 HydrophobicContact CE2-CB 3.78Å; F527-V545 HydrophobicContact CE2-CG1 4.08Å; F527-V545 HydrophobicContact CE2-CG2 4.17Å; F527-V545 HydrophobicContact CZ-CB 3.78Å; F527-V545 HydrophobicContact CZ-CG1 3.59Å; F527-V545 PolarHBondContact N-O 2.76Å; F527-V545 PolarHBondContact O-N 3.48Å; V529-V545 HydrophobicContact CG2-CG2 3.65Å; V545-V547 HydrophobicContact CG1-CG2 4.34Å |
| 546 | R | 94.1 | Very high | 93.3 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.5 | 172.5 | -176.8 | 176.8 | -176.3 | -151.2 | 7.4 | 108.8 | Y454 T455 L456 E524 E526 L548 | Y454-R546 PolarHBondContact O-N 3.02Å; T455-R546 WeakPolarHBondContact CA-O 3.07Å; L456-R546 PolarHBondContact N-O 2.92Å; E524-R546 IonicContact OE1-NH2 2.8Å; E524-R546 IonicContact OE2-CZ 3Å; E524-R546 IonicContact OE2-NE 3.55Å; E524-R546 PolarHBondContact OE2-NE 2.93Å; E524-R546 IonicContact OE2-NH2 2.77Å; E524-R546 PolarHBondContact OE2-NH2 3.34Å; E526-R546 HydrophobicContact CG-CB 3.95Å; E526-R546 HydrophobicContact CG-CG 3.83Å; E526-R546 VanDerWaalsContact OE1-CD 3.29Å; E526-R546 WeakPolarHBondContact OE1-CD 3.31Å; E526-R546 IonicContact OE1-NE 3.54Å; R546-L548 HydrophobicContact CG-CD2 4.36Å; R546-L548 HydrophobicContact CG-CG 4.41Å |
| 547 | V | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.7 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | L456 V458 I468 E524 F525 F527 V545 | L456-V547 HydrophobicContact CB-CG2 4.4Å; V458-V547 HydrophobicContact CB-CG1 4.33Å; V458-V547 HydrophobicContact CG2-CG1 3.76Å; I468-V547 HydrophobicContact CD1-CG2 4.22Å; E524-V547 WeakPolarHBondContact CA-O 3.34Å; F525-V547 HydrophobicContact CD1-CB 4.19Å; F525-V547 HydrophobicContact CD1-CG1 4.43Å; F525-V547 HydrophobicContact CD2-CB 4.45Å; F525-V547 HydrophobicContact CE1-CB 3.76Å; F525-V547 HydrophobicContact CE1-CG1 3.66Å; F525-V547 HydrophobicContact CE2-CB 4.05Å; F525-V547 HydrophobicContact CE2-CG2 4.05Å; F525-V547 HydrophobicContact CZ-CB 3.68Å; F525-V547 HydrophobicContact CZ-CG1 3.76Å; F525-V547 HydrophobicContact CZ-CG2 3.95Å; F525-V547 PolarHBondContact N-O 3.25Å; F525-V547 VanDerWaalsContact N-O 3.1Å; F525-V547 PolarHBondContact O-N 2.92Å; F527-V547 HydrophobicContact CE1-CG2 3.73Å; F527-V547 HydrophobicContact CZ-CG2 4.38Å; V545-V547 HydrophobicContact CG1-CG2 4.34Å |
| 548 | L | 94.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 18% | 0.183 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.3 | 174.1 | -66.8 | 177.2 | 0 | 0 | 0 | 108.4 | T455 L456 F457 V458 E524 R546 | T455-L548 HydrophobicContact CG2-CD1 3.69Å; T455-L548 HydrophobicContact CG2-CG 4.19Å; L456-L548 PolarHBondContact O-N 2.92Å; F457-L548 WeakPolarHBondContact CA-O 3.18Å; F457-L548 HydrophobicContact CD1-CB 3.89Å; F457-L548 HydrophobicContact CD1-CD1 4.13Å; F457-L548 HydrophobicContact CE1-CB 4.12Å; F457-L548 HydrophobicContact CE1-CD1 3.48Å; F457-L548 VanDerWaalsContact CE1-CD1 3.48Å; F457-L548 HydrophobicContact CE1-CG 4.41Å; F457-L548 HydrophobicContact CZ-CD1 4.02Å; V458-L548 PolarHBondContact N-O 2.78Å; E524-L548 HydrophobicContact CB-CD2 3.74Å; R546-L548 HydrophobicContact CG-CD2 4.36Å; R546-L548 HydrophobicContact CG-CG 4.41Å |
| 549 | V | 94 | Very high | 93.3 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.2 | 174.8 | -174 | 0 | 0 | 0 | 0 | 108.5 | V458 E460 L517 Y519 L522 Q523 | V458-V549 CarbonylContact O-C 3.56Å; V458-V549 VanDerWaalsContact O-CA 3.28Å; V458-V549 WeakPolarHBondContact O-CA 3.19Å; E460-V549 HydrophobicContact CB-CG1 3.77Å; L517-V549 HydrophobicContact CB-CG1 4.29Å; L517-V549 HydrophobicContact CB-CG2 4.24Å; L517-V549 HydrophobicContact CD1-CG2 3.85Å; Y519-V549 HydrophobicContact CD2-CB 4.14Å; Y519-V549 HydrophobicContact CD2-CG1 4.13Å; Y519-V549 WeakPolarHBondContact CD2-O 3.27Å; Y519-V549 WeakPolarHBondContact CE2-O 3.3Å; L522-V549 WeakPolarHBondContact O-CG2 3.26Å; Q523-V549 WeakPolarHBondContact O-CB 3.4Å; Q523-V549 PolarHBondContact O-N 2.88Å |
| 550 | L | 93.1 | Very high | 92.9 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 109.7 | 176.3 | -63 | -179.3 | 0 | 0 | 0 | 109.2 | F457 V458 R459 E460 | F457-L550 HydrophobicContact CB-CD1 4.03Å; F457-L550 HydrophobicContact CB-CG 4.32Å; F457-L550 HydrophobicContact CD1-CD2 4.07Å; V458-L550 PolarHBondContact O-N 2.88Å; R459-L550 HydrophobicContact CG-CB 4.14Å; R459-L550 HydrophobicContact CG-CD1 4.33Å; E460-L550 WeakPolarHBondContact CG-O 3.34Å; E460-L550 PolarHBondContact N-O 3.39Å; E460-L550 VanDerWaalsContact N-O 3.17Å |
| 551 | D | 93.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | trans | -36.4 | 133.9 | 163.7 | 174.8 | 3.1 | 0 | 0 | 0 | 113.3 | Y519 S594 N597 | Y519-D551 HydrophobicContact CD1-CB 3.84Å; Y519-D551 HydrophobicContact CD2-CB 3.94Å; Y519-D551 HydrophobicContact CE1-CB 3.98Å; Y519-D551 HydrophobicContact CE2-CB 4.05Å; Y519-D551 HydrophobicContact CG-CB 3.83Å; D551-S594 WeakPolarHBondContact OD2-CA 3.5Å; D551-S594 WeakPolarHBondContact OD2-CB 3.15Å; D551-S594 PolarHBondContact OD2-N 2.73Å; D551-N597 VanDerWaalsContact CG-ND2 3.3Å; D551-N597 PolarHBondContact OD1-ND2 2.9Å | ||
| 552 | A | 91.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | trans | -127 | 156.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E460 D554 | E460-A552 HydrophobicContact CG-CB 4.03Å; E460-A552 WeakPolarHBondContact OE1-CB 3.35Å; A552-D554 VanDerWaalsContact C-N 3.26Å; A552-D554 WeakPolarHBondContact O-CB 3.29Å; A552-D554 PolarHBondContact O-N 2.78Å | ||
| 553 | N | 92.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -75.6 | 81 | -176.1 | -154.7 | 57.9 | 0 | 0 | 0 | 110.3 | D593 N597 D644 P648 R650 | N553-D593 VanDerWaalsContact CA-OD2 3.32Å; N553-D593 WeakPolarHBondContact CA-OD2 3.39Å; N553-D593 PolarHBondContact OD1-OD2 2.79Å; N553-N597 HydrophobicContact CB-CB 4.26Å; N553-N597 PolarHBondContact N-ND2 2.9Å; N553-N597 WeakPolarHBondContact OD1-CA 3.4Å; N553-N597 WeakPolarHBondContact OD1-CB 3.39Å; N553-N597 PolarHBondContact OD1-O 2.9Å; N553-D644 PolarHBondContact ND2-OD1 3.31Å; N553-D644 PolarHBondContact OD1-OD1 2.96Å; N553-P648 PolarHBondContact ND2-O 3.31Å; N553-R650 PolarHBondContact ND2-N 2.92Å; N553-R650 VanDerWaalsContact O-CZ 3.26Å; N553-R650 PolarHBondContact O-NE 2.82Å; N553-R650 PolarHBondContact O-NH2 3.05Å; N553-R650 VanDerWaalsContact O-NH2 3.15Å |
| 554 | D | 90.9 | Very high | 90.3 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -115 | -36.2 | -160.2 | 158.1 | -79.3 | 0 | 0 | 0 | 112.2 | E460 N461 A552 D593 R650 | E460-D554 VanDerWaalsContact OE1-CB 3.31Å; E460-D554 WeakPolarHBondContact OE1-CB 3.36Å; N461-D554 VanDerWaalsContact ND2-CG 3.29Å; N461-D554 PolarHBondContact ND2-OD2 3.09Å; A552-D554 VanDerWaalsContact C-N 3.26Å; A552-D554 WeakPolarHBondContact O-CB 3.29Å; A552-D554 PolarHBondContact O-N 2.78Å; D554-D593 PolarHBondContact N-OD2 3.16Å; D554-D593 VanDerWaalsContact N-OD2 3.12Å; D554-R650 VanDerWaalsContact C-CZ 3.48Å; D554-R650 VanDerWaalsContact CA-NH2 3.33Å; D554-R650 PolarHBondContact O-NH1 2.92Å; D554-R650 PolarHBondContact O-NH2 2.88Å | ||
| 555 | N | 91.2 | Very high | 89 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -83 | -171.5 | 169.2 | -65.7 | -84.1 | 0 | 0 | 0 | 109.9 | E520 D593 R650 | E520-N555 PolarHBondContact OE2-ND2 2.87Å; N555-D593 WeakPolarHBondContact CB-OD1 3.2Å; N555-D593 PolarHBondContact N-OD1 3.44Å; N555-D593 PolarHBondContact N-OD2 3.08Å; N555-D593 PolarHBondContact ND2-OD1 2.98Å; N555-R650 WeakPolarHBondContact O-CD 3.17Å; N555-R650 PolarHBondContact O-NE 2.87Å; N555-R650 PolarHBondContact O-NH1 2.58Å |
| 556 | S | 91.4 | Very high | 87.5 | Confident | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | trans | -152.1 | 148.1 | 176.6 | 63.8 | 0 | 0 | 0 | 0 | 110 | F558 D591 | S556-F558 PolarHBondContact O-N 3.05Å; S556-F558 VanDerWaalsContact O-N 3.07Å; S556-D591 PolarHBondContact N-OD1 2.89Å | ||
| 557 | P | 93.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -55.5 | 116.2 | -169.9 | -26.8 | 30 | 0 | 0 | 0 | 112.8 | V590 D591 L600 V642 D644 A652 | P557-V590 CarbonylContact C-O 3.59Å; P557-D591 WeakPolarHBondContact CA-OD2 3.22Å; P557-D591 WeakPolarHBondContact CD-OD2 3.44Å; P557-D591 WeakPolarHBondContact CG-OD2 3.43Å; P557-L600 HydrophobicContact CB-CD2 3.72Å; P557-L600 HydrophobicContact CG-CD2 3.64Å; P557-V642 HydrophobicContact CB-CB 4.16Å; P557-V642 HydrophobicContact CB-CG1 3.74Å; P557-V642 HydrophobicContact CG-CG1 4.42Å; P557-D644 WeakPolarHBondContact CD-OD2 3.02Å; P557-D644 HydrophobicContact CG-CB 4.27Å; P557-A652 WeakPolarHBondContact O-CB 3.42Å | ||
| 558 | F | 91 | Very high | 84.4 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 59% | 0.592 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.6 | 178.1 | -173.5 | -101.9 | 0 | 0 | 0 | 111.6 | S556 L560 A589 V590 | S556-F558 PolarHBondContact O-N 3.05Å; S556-F558 VanDerWaalsContact O-N 3.07Å; F558-L560 HydrophobicContact CD1-CD2 3.82Å; F558-L560 HydrophobicContact CD1-CG 4.46Å; F558-L560 HydrophobicContact CE1-CD2 3.89Å; F558-L560 PolarHBondContact O-N 3.5Å; F558-A589 CarbonylContact O-C 3.52Å; F558-A589 WeakPolarHBondContact O-CA 3.14Å; F558-A589 WeakPolarHBondContact O-CB 3.2Å; F558-V590 HydrophobicContact CB-CG2 4.37Å; F558-V590 PolarHBondContact N-O 3.06Å; F558-V590 PolarHBondContact O-N 3.42Å |
| 559 | V | 90.4 | Very high | 83 | Confident | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 108 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | Q564 V587 A589 V642 A652 A654 | V559-Q564 HydrophobicContact CB-CG 4.47Å; V559-Q564 HydrophobicContact CG1-CG 4.42Å; V559-V587 HydrophobicContact CG1-CG1 4.21Å; V559-A589 HydrophobicContact CG2-CB 4.37Å; V559-V642 HydrophobicContact CG2-CG2 4.04Å; V559-A652 HydrophobicContact CG2-CB 4.34Å; V559-A654 HydrophobicContact CG1-CB 3.89Å; V559-A654 HydrophobicContact CG2-CB 4.12Å |
| 560 | L | 87.5 | Confident | 81.8 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -38 | 173.9 | -65 | 177.2 | 0 | 0 | 0 | 112.3 | F558 V588 V590 | F558-L560 HydrophobicContact CD1-CD2 3.82Å; F558-L560 HydrophobicContact CD1-CG 4.46Å; F558-L560 HydrophobicContact CE1-CD2 3.89Å; F558-L560 PolarHBondContact O-N 3.5Å; L560-V588 HydrophobicContact CB-CG1 4.48Å; L560-V588 HydrophobicContact CD1-CG1 4.46Å; L560-V588 PolarHBondContact N-O 2.88Å; L560-V590 HydrophobicContact CD1-CG1 3.64Å; L560-V590 HydrophobicContact CD1-CG2 4.07Å; L560-V590 HydrophobicContact CD2-CG2 4.34Å; L560-V590 HydrophobicContact CG-CG1 4.42Å; L560-V590 HydrophobicContact CG-CG2 4.07Å |
| 561 | Y | 85.5 | Confident | 81.2 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 136.8 | -178.1 | -170.5 | -91.7 | 0 | 0 | 0 | 112 | E572 K586 V587 V588 | Y561-E572 PolarHBondContact OH-OE1 2.66Å; Y561-E572 VanDerWaalsContact OH-OE1 3.05Å; Y561-K586 WeakPolarHBondContact CD1-O 3.37Å; Y561-V587 CarbonylContact O-C 3.53Å; Y561-V587 WeakPolarHBondContact O-CA 3.07Å; Y561-V588 PolarHBondContact N-O 2.97Å; Y561-V588 PolarHBondContact O-N 2.97Å |
| 562 | P | 83.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | S | Bend | cis | -71.2 | 152.7 | -5.3 | 33.3 | -38.9 | 0 | 0 | 0 | 112 | Q564 C570 L656 | P562-Q564 PolarHBondContact O-N 3.14Å; P562-Q564 VanDerWaalsContact O-N 3.15Å; P562-Q564 PolarHBondContact O-NE2 2.9Å; P562-C570 HydrophobicContact CB-CB 4Å; P562-L656 HydrophobicContact CB-CD2 4.4Å; P562-L656 HydrophobicContact CG-CD2 3.64Å; P562-L656 HydrophobicContact CG-CG 4Å |
| 563 | L | 80.4 | Confident | 80.5 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 56% | 0.56 | 39% | 0.386 | S | S | * | . | trans | -64.1 | 113.2 | -177 | -171.1 | 74.7 | 0 | 0 | 0 | 111.2 | ||||
| 564 | Q | 74.9 | Confident | 80.2 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -32.7 | -174.4 | -63.2 | -57 | -64.1 | 0 | 0 | 113.9 | V559 P562 T655 | V559-Q564 HydrophobicContact CB-CG 4.47Å; V559-Q564 HydrophobicContact CG1-CG 4.42Å; P562-Q564 PolarHBondContact O-N 3.14Å; P562-Q564 VanDerWaalsContact O-N 3.15Å; P562-Q564 PolarHBondContact O-NE2 2.9Å; Q564-T655 PolarHBondContact NE2-O 3.15Å |
| 565 | N | 67.2 | Low | 79.9 | Confident | 162 Ų | 162 | 65.1 Ų | 65.1 | 87% | 0.866 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 23.9 | -173.5 | -67.6 | -13.8 | 0 | 0 | 0 | 113.6 | ||
| 566 | G | 63.1 | Low | 79.5 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | trans | -70.4 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A568 | G566-A568 PolarHBondContact O-N 3.02Å; G566-A568 VanDerWaalsContact O-N 3.17Å | ||
| 567 | S | 61.6 | Low | 79 | Confident | 143 Ų | 143 | 67 Ų | 67 | 100% | 1 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -65.9 | -12.6 | 176 | 50 | 0 | 0 | 0 | 0 | 114.2 | ||
| 568 | A | 62.5 | Low | 78.5 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -130.5 | 140.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G566 C570 | G566-A568 PolarHBondContact O-N 3.02Å; G566-A568 VanDerWaalsContact O-N 3.17Å; A568-C570 PolarHBondContact O-N 2.92Å |
| 569 | P | 65.1 | Low | 78.3 | Confident | 82 Ų | 82 | 68 Ų | 68 | 53% | 0.532 | 40% | 0.396 | S | S | . | . | trans | -67.2 | 122.3 | 177 | 26.8 | -33.1 | 0 | 0 | 0 | 110.5 | T571 | P569-T571 PolarHBondContact O-N 2.64Å; P569-T571 PolarHBondContact O-OG1 2.85Å | ||
| 570 | C | 68.6 | Low | 78.1 | Confident | 50 Ų | 50 | 71 Ų | 71 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | trans | -54.5 | 107.6 | 170.7 | -69.3 | 0 | 0 | 0 | 0 | 109.3 | P562 A568 | P562-C570 HydrophobicContact CB-CB 4Å; A568-C570 PolarHBondContact O-N 2.92Å | ||
| 571 | T | 79.9 | Confident | 78 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 42% | 0.423 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.2 | -176.7 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | P569 H657 L659 | P569-T571 PolarHBondContact O-N 2.64Å; P569-T571 PolarHBondContact O-OG1 2.85Å; T571-H657 CarbonylContact C-O 3.49Å; T571-H657 VanDerWaalsContact CA-O 3.28Å; T571-H657 WeakPolarHBondContact CA-O 3.28Å; T571-H657 HydrophobicContact CG2-CB 4.44Å; T571-L659 HydrophobicContact CG2-CB 3.85Å |
| 572 | E | 84.7 | Confident | 78.2 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.5 | 179 | -59.1 | -77.5 | -149 | 0 | 0 | 110.1 | Y561 V584 T585 L656 H657 L658 L659 | Y561-E572 PolarHBondContact OH-OE1 2.66Å; Y561-E572 VanDerWaalsContact OH-OE1 3.05Å; E572-V584 HydrophobicContact CB-CG1 4.39Å; E572-T585 HydrophobicContact CG-CG2 4.21Å; E572-T585 WeakPolarHBondContact OE1-CB 3.12Å; E572-T585 PolarHBondContact OE1-OG1 2.91Å; E572-L656 HydrophobicContact CG-CD2 4.26Å; E572-H657 PolarHBondContact N-O 3.36Å; E572-L658 HydrophobicContact CB-CD2 3.71Å; E572-L658 HydrophobicContact CG-CD2 4.25Å; E572-L658 WeakPolarHBondContact O-CA 3.31Å; E572-L659 PolarHBondContact O-N 2.9Å |
| 573 | L | 85.3 | Confident | 78.6 | Confident | 85 Ų | 85 | 71.3 Ų | 71.3 | 45% | 0.445 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.7 | -178.5 | -60.6 | -178.1 | 0 | 0 | 0 | 110 | L659 V661 F664 | L573-L659 HydrophobicContact CD2-CB 4.02Å; L573-L659 HydrophobicContact CD2-CD2 3.9Å; L573-L659 HydrophobicContact CD2-CG 4.42Å; L573-V661 HydrophobicContact CB-CG2 4.45Å; L573-V661 HydrophobicContact CD2-CG1 4.14Å; L573-F664 HydrophobicContact CB-CD1 4.34Å; L573-F664 HydrophobicContact CB-CE1 3.82Å |
| 574 | V | 86.1 | Confident | 79 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.2 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | A578 Y582 V584 T624 L628 L658 L659 L660 V661 | V574-A578 HydrophobicContact CG1-CB 4.36Å; V574-Y582 HydrophobicContact CG1-CD1 4.43Å; V574-Y582 HydrophobicContact CG1-CE1 4.36Å; V574-V584 HydrophobicContact CG1-CG2 4.29Å; V574-V584 HydrophobicContact CG2-CB 4.24Å; V574-V584 HydrophobicContact CG2-CG1 3.52Å; V574-V584 HydrophobicContact CG2-CG2 3.83Å; V574-T624 HydrophobicContact CG1-CG2 4.48Å; V574-L628 HydrophobicContact CG1-CD1 4.07Å; V574-L658 HydrophobicContact CG2-CB 4.42Å; V574-L659 PolarHBondContact N-O 2.94Å; V574-L660 HydrophobicContact CB-CD2 4.03Å; V574-L660 HydrophobicContact CG1-CD2 4.23Å; V574-L660 WeakPolarHBondContact O-CA 3.49Å; V574-V661 PolarHBondContact O-N 3.29Å |
| 575 | P | 84.6 | Confident | 79.7 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 10% | 0.104 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.2 | 179.9 | 30.7 | -30 | 0 | 0 | 0 | 109.7 | A577 A578 Y582 L628 V661 F664 | P575-A577 PolarHBondContact O-N 2.76Å; P575-A577 VanDerWaalsContact O-N 3.15Å; P575-A578 HydrophobicContact CG-CB 4.15Å; P575-A578 WeakPolarHBondContact O-CB 3.17Å; P575-A578 PolarHBondContact O-N 2.89Å; P575-Y582 HydrophobicContact CG-CE1 4.29Å; P575-Y582 HydrophobicContact CG-CE2 4.44Å; P575-L628 WeakPolarHBondContact O-CD1 3.48Å; P575-V661 CarbonylContact C-O 3.54Å; P575-V661 VanDerWaalsContact CA-O 3.31Å; P575-V661 WeakPolarHBondContact CA-O 3.35Å; P575-F664 HydrophobicContact CB-CD2 4.48Å; P575-F664 HydrophobicContact CB-CE2 3.81Å; P575-F664 HydrophobicContact CB-CZ 4.12Å; P575-F664 HydrophobicContact CG-CE2 3.74Å; P575-F664 HydrophobicContact CG-CZ 3.87Å |
| 576 | R | 81.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.3 | 175.9 | -71.5 | -156.9 | -164 | -103.6 | -2.6 | 113.8 | A578 S629 D632 L660 V661 D662 | R576-A578 PolarHBondContact O-N 2.9Å; R576-S629 PolarHBondContact NH1-O 2.77Å; R576-D632 PolarHBondContact NH1-O 3.12Å; R576-L660 HydrophobicContact CG-CB 4.22Å; R576-V661 PolarHBondContact N-O 2.98Å; R576-D662 WeakPolarHBondContact CD-OD1 3.38Å; R576-D662 WeakPolarHBondContact CG-OD1 3.21Å; R576-D662 IonicContact CZ-OD1 3.98Å; R576-D662 IonicContact NE-OD1 2.68Å; R576-D662 PolarHBondContact NE-OD1 3.44Å |
| 577 | A | 81.2 | Confident | 82.1 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 78% | 0.777 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 5.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | P575 E579 | P575-A577 PolarHBondContact O-N 2.76Å; P575-A577 VanDerWaalsContact O-N 3.15Å; A577-E579 PolarHBondContact O-N 3.1Å |
| 578 | A | 83.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63 | 122.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V574 P575 R576 Y582 T624 L628 | V574-A578 HydrophobicContact CG1-CB 4.36Å; P575-A578 HydrophobicContact CG-CB 4.15Å; P575-A578 WeakPolarHBondContact O-CB 3.17Å; P575-A578 PolarHBondContact O-N 2.89Å; R576-A578 PolarHBondContact O-N 2.9Å; A578-Y582 HydrophobicContact CB-CD1 3.76Å; A578-Y582 HydrophobicContact CB-CD2 4.29Å; A578-Y582 HydrophobicContact CB-CE1 4.4Å; A578-Y582 HydrophobicContact CB-CG 3.69Å; A578-T624 HydrophobicContact CB-CG2 4.26Å; A578-L628 HydrophobicContact CB-CD1 4.04Å |
| 579 | E | 86.6 | Confident | 84.9 | Confident | 152 Ų | 152 | 53.1 Ų | 53.1 | 71% | 0.71 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 160.7 | 171.5 | -63.6 | -173.4 | 165.8 | 0 | 0 | 111.4 | A577 G581 Y582 T624 | A577-E579 PolarHBondContact O-N 3.1Å; E579-G581 PolarHBondContact O-N 3Å; E579-Y582 VanDerWaalsContact O-CB 3.29Å; E579-Y582 WeakPolarHBondContact O-CB 3.2Å; E579-Y582 PolarHBondContact O-N 2.98Å; E579-T624 PolarHBondContact O-OG1 3.4Å |
| 580 | P | 86 | Confident | 86.3 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 131.8 | 169.8 | -21.4 | 33.5 | 0 | 0 | 0 | 111.2 | L627 | P580-L627 HydrophobicContact CG-CD2 4.46Å; P580-L627 HydrophobicContact CG-CG 4.02Å |
| 581 | G | 86.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 1.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E579 L583 R623 T624 | E579-G581 PolarHBondContact O-N 3Å; G581-L583 PolarHBondContact O-N 2.63Å; G581-R623 WeakPolarHBondContact O-CD 3.29Å; G581-T624 WeakPolarHBondContact CA-O 3.45Å; G581-T624 PolarHBondContact N-O 3.42Å; G581-T624 PolarHBondContact N-OG1 2.66Å; G581-T624 VanDerWaalsContact N-OG1 3.13Å |
| 582 | Y | 89.2 | Confident | 88 | Confident | 82 Ų | 82 | 50 Ų | 50 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | trans | -58.3 | 128.7 | 172 | 177.1 | -98.7 | 0 | 0 | 0 | 111.1 | V574 P575 A578 E579 V584 R623 T624 | V574-Y582 HydrophobicContact CG1-CD1 4.43Å; V574-Y582 HydrophobicContact CG1-CE1 4.36Å; P575-Y582 HydrophobicContact CG-CE1 4.29Å; P575-Y582 HydrophobicContact CG-CE2 4.44Å; A578-Y582 HydrophobicContact CB-CD1 3.76Å; A578-Y582 HydrophobicContact CB-CD2 4.29Å; A578-Y582 HydrophobicContact CB-CE1 4.4Å; A578-Y582 HydrophobicContact CB-CG 3.69Å; E579-Y582 VanDerWaalsContact O-CB 3.29Å; E579-Y582 WeakPolarHBondContact O-CB 3.2Å; E579-Y582 PolarHBondContact O-N 2.98Å; Y582-V584 HydrophobicContact CD1-CG2 4.2Å; Y582-V584 PolarHBondContact O-N 3.39Å; Y582-R623 CarbonylContact O-C 3.55Å; Y582-R623 WeakPolarHBondContact O-CA 3.17Å; Y582-R623 WeakPolarHBondContact O-CB 3.42Å; Y582-T624 WeakPolarHBondContact CB-OG1 3.47Å; Y582-T624 HydrophobicContact CD1-CG2 4.47Å; Y582-T624 PolarHBondContact N-OG1 3Å; Y582-T624 PolarHBondContact O-N 3.03Å | ||
| 583 | L | 90.4 | Very high | 88.4 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 113.8 | 176.6 | -179.5 | 65.7 | 0 | 0 | 0 | 109.7 | G581 T585 E621 R623 | G581-L583 PolarHBondContact O-N 2.63Å; L583-T585 WeakPolarHBondContact CD1-O 3.43Å; L583-E621 HydrophobicContact CD1-CB 3.84Å; L583-E621 HydrophobicContact CD1-CG 3.89Å; L583-R623 HydrophobicContact CD1-CG 4.15Å |
| 584 | V | 89.2 | Confident | 88.7 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -52.4 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.1 | E572 V574 Y582 F613 V622 T624 L658 | E572-V584 HydrophobicContact CB-CG1 4.39Å; V574-V584 HydrophobicContact CG1-CG2 4.29Å; V574-V584 HydrophobicContact CG2-CB 4.24Å; V574-V584 HydrophobicContact CG2-CG1 3.52Å; V574-V584 HydrophobicContact CG2-CG2 3.83Å; Y582-V584 HydrophobicContact CD1-CG2 4.2Å; Y582-V584 PolarHBondContact O-N 3.39Å; V584-F613 HydrophobicContact CG2-CD1 4.14Å; V584-F613 HydrophobicContact CG2-CE1 3.97Å; V584-V622 WeakPolarHBondContact CB-O 3.49Å; V584-V622 PolarHBondContact N-O 2.73Å; V584-T624 HydrophobicContact CG2-CG2 4.23Å; V584-L658 HydrophobicContact CG1-CD1 4.06Å; V584-L658 HydrophobicContact CG1-CD2 3.56Å; V584-L658 HydrophobicContact CG1-CG 4.44Å |
| 585 | T | 89.5 | Confident | 88.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.08 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 178.4 | -177.1 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | E572 L583 V622 L656 | E572-T585 HydrophobicContact CG-CG2 4.21Å; E572-T585 WeakPolarHBondContact OE1-CB 3.12Å; E572-T585 PolarHBondContact OE1-OG1 2.91Å; L583-T585 WeakPolarHBondContact CD1-O 3.43Å; T585-V622 HydrophobicContact CG2-CB 3.99Å; T585-V622 HydrophobicContact CG2-CG2 3.95Å; T585-V622 PolarHBondContact N-O 3.05Å; T585-V622 PolarHBondContact O-N 2.9Å; T585-L656 HydrophobicContact CG2-CD1 3.88Å; T585-L656 HydrophobicContact CG2-CD2 3.64Å; T585-L656 HydrophobicContact CG2-CG 4.44Å |
| 586 | K | 90.7 | Very high | 89.2 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.8 | 177.9 | -174.4 | -178.3 | -175 | -176.8 | 0 | 109.8 | Y561 V588 N619 E621 | Y561-K586 WeakPolarHBondContact CD1-O 3.37Å; K586-V588 HydrophobicContact CD-CG2 4.4Å; K586-V588 HydrophobicContact CG-CG2 4.31Å; K586-V588 PolarHBondContact O-N 3.01Å; K586-N619 WeakPolarHBondContact CE-O 3.28Å; K586-N619 WeakPolarHBondContact CG-O 3.35Å; K586-E621 HydrophobicContact CB-CG 4.38Å; K586-E621 HydrophobicContact CD-CG 4.15Å; K586-E621 HydrophobicContact CG-CG 3.98Å |
| 587 | V | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -72 | 122.3 | 169.9 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | V559 Y561 Y602 G620 V622 V640 V642 A654 L656 | V559-V587 HydrophobicContact CG1-CG1 4.21Å; Y561-V587 CarbonylContact O-C 3.53Å; Y561-V587 WeakPolarHBondContact O-CA 3.07Å; V587-Y602 HydrophobicContact CB-CD1 4.23Å; V587-Y602 HydrophobicContact CB-CE1 4.21Å; V587-Y602 HydrophobicContact CG1-CD1 4.25Å; V587-Y602 HydrophobicContact CG1-CE1 4.05Å; V587-G620 PolarHBondContact N-O 2.8Å; V587-V622 HydrophobicContact CG2-CG2 4.11Å; V587-V640 HydrophobicContact CG2-CB 4.18Å; V587-V640 HydrophobicContact CG2-CG1 4.2Å; V587-V640 HydrophobicContact CG2-CG2 4.08Å; V587-V642 HydrophobicContact CG1-CG2 3.98Å; V587-A654 HydrophobicContact CG1-CB 3.81Å; V587-A654 HydrophobicContact CG2-CB 4.39Å; V587-L656 HydrophobicContact CG2-CD1 3.86Å | ||
| 588 | V | 91.6 | Very high | 90.2 | Very high | 57 Ų | 57 | 48.6 Ų | 48.6 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.5 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 108 | L560 Y561 K586 | L560-V588 HydrophobicContact CB-CG1 4.48Å; L560-V588 HydrophobicContact CD1-CG1 4.46Å; L560-V588 PolarHBondContact N-O 2.88Å; Y561-V588 PolarHBondContact N-O 2.97Å; Y561-V588 PolarHBondContact O-N 2.97Å; K586-V588 HydrophobicContact CD-CG2 4.4Å; K586-V588 HydrophobicContact CG-CG2 4.31Å; K586-V588 PolarHBondContact O-N 3.01Å |
| 589 | A | 92 | Very high | 90.6 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | F558 V559 L600 V642 | F558-A589 CarbonylContact O-C 3.52Å; F558-A589 WeakPolarHBondContact O-CA 3.14Å; F558-A589 WeakPolarHBondContact O-CB 3.2Å; V559-A589 HydrophobicContact CG2-CB 4.37Å; A589-L600 VanDerWaalsContact C-CD1 3.48Å; A589-L600 HydrophobicContact CB-CD1 3.8Å; A589-L600 WeakPolarHBondContact O-CD1 3.37Å; A589-V642 HydrophobicContact CB-CB 4.35Å; A589-V642 HydrophobicContact CB-CG1 3.75Å; A589-V642 HydrophobicContact CB-CG2 4.04Å |
| 590 | V | 92.9 | Very high | 90.9 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 42% | 0.418 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.6 | 175.3 | -67.9 | 0 | 0 | 0 | 0 | 108.6 | P557 F558 L560 | P557-V590 CarbonylContact C-O 3.59Å; F558-V590 HydrophobicContact CB-CG2 4.37Å; F558-V590 PolarHBondContact N-O 3.06Å; F558-V590 PolarHBondContact O-N 3.42Å; L560-V590 HydrophobicContact CD1-CG1 3.64Å; L560-V590 HydrophobicContact CD1-CG2 4.07Å; L560-V590 HydrophobicContact CD2-CG2 4.34Å; L560-V590 HydrophobicContact CG-CG1 4.42Å; L560-V590 HydrophobicContact CG-CG2 4.07Å |
| 591 | D | 94 | Very high | 91.3 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | trans | -114.2 | 160.7 | 165.7 | -134.3 | -55.7 | 0 | 0 | 0 | 110.7 | S556 P557 A598 L600 | S556-D591 PolarHBondContact N-OD1 2.89Å; P557-D591 WeakPolarHBondContact CA-OD2 3.22Å; P557-D591 WeakPolarHBondContact CD-OD2 3.44Å; P557-D591 WeakPolarHBondContact CG-OD2 3.43Å; D591-A598 HydrophobicContact CB-CB 3.84Å; D591-L600 HydrophobicContact CB-CD2 4.19Å | ||
| 592 | G | 90.4 | Very high | 91.7 | Very high | 38 Ų | 38 | 48 Ų | 48 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -80.6 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E520 | E520-G592 WeakPolarHBondContact CG-O 3.12Š|
| 593 | D | 94.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -67.1 | -166.6 | -173.5 | -54.5 | -15.4 | 0 | 0 | 0 | 112.7 | N553 D554 N555 N597 A598 | N553-D593 VanDerWaalsContact CA-OD2 3.32Å; N553-D593 WeakPolarHBondContact CA-OD2 3.39Å; N553-D593 PolarHBondContact OD1-OD2 2.79Å; D554-D593 PolarHBondContact N-OD2 3.16Å; D554-D593 VanDerWaalsContact N-OD2 3.12Å; N555-D593 WeakPolarHBondContact CB-OD1 3.2Å; N555-D593 PolarHBondContact N-OD1 3.44Å; N555-D593 PolarHBondContact N-OD2 3.08Å; N555-D593 PolarHBondContact ND2-OD1 2.98Å; D593-N597 HydrophobicContact CB-CB 3.41Å; D593-N597 VanDerWaalsContact CB-CB 3.41Å; D593-A598 VanDerWaalsContact O-CB 3.27Å; D593-A598 WeakPolarHBondContact O-CB 3.03Å |
| 594 | S | 91.6 | Very high | 91.9 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -134 | 175 | 178.8 | -83.8 | 0 | 0 | 0 | 0 | 114.4 | D551 Q596 N597 A598 | D551-S594 WeakPolarHBondContact OD2-CA 3.5Å; D551-S594 WeakPolarHBondContact OD2-CB 3.15Å; D551-S594 PolarHBondContact OD2-N 2.73Å; S594-Q596 PolarHBondContact O-N 2.76Å; S594-N597 WeakPolarHBondContact O-CA 3.32Å; S594-N597 WeakPolarHBondContact O-CB 3.33Å; S594-N597 PolarHBondContact O-N 3.42Å; S594-A598 PolarHBondContact O-N 3.04Å; S594-A598 VanDerWaalsContact O-N 3.14Å | ||
| 595 | G | 90.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -110.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 596 | Q | 90.7 | Very high | 91.9 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -28.9 | 177.6 | -65.3 | -59.7 | -56.5 | 0 | 0 | 112.9 | S594 A598 W599 N645 G646 | S594-Q596 PolarHBondContact O-N 2.76Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.42Å; Q596-W599 WeakPolarHBondContact O-CB 3.18Å; Q596-W599 PolarHBondContact O-N 3.09Å; Q596-N645 CarbonylContact O-C 3.51Å; Q596-N645 WeakPolarHBondContact O-CB 3.29Å; Q596-N645 PolarHBondContact O-N 3.22Å; Q596-N645 PolarHBondContact OE1-ND2 3.25Å; Q596-G646 PolarHBondContact O-N 3.31Å |
| 597 | N | 91.3 | Very high | 91.9 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.8 | 178.6 | -61.8 | -11.5 | 0 | 0 | 0 | 110.2 | D551 N553 D593 S594 D644 G646 | D551-N597 VanDerWaalsContact CG-ND2 3.3Å; D551-N597 PolarHBondContact OD1-ND2 2.9Å; N553-N597 HydrophobicContact CB-CB 4.26Å; N553-N597 PolarHBondContact N-ND2 2.9Å; N553-N597 WeakPolarHBondContact OD1-CA 3.4Å; N553-N597 WeakPolarHBondContact OD1-CB 3.39Å; N553-N597 PolarHBondContact OD1-O 2.9Å; D593-N597 HydrophobicContact CB-CB 3.41Å; D593-N597 VanDerWaalsContact CB-CB 3.41Å; S594-N597 WeakPolarHBondContact O-CA 3.32Å; S594-N597 WeakPolarHBondContact O-CB 3.33Å; S594-N597 PolarHBondContact O-N 3.42Å; N597-D644 WeakPolarHBondContact O-CB 3.42Å; N597-G646 VanDerWaalsContact OD1-CA 3.32Å; N597-G646 WeakPolarHBondContact OD1-CA 3.15Å |
| 598 | A | 92 | Very high | 91.8 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 6.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D591 D593 S594 Q596 L600 | D591-A598 HydrophobicContact CB-CB 3.84Å; D593-A598 VanDerWaalsContact O-CB 3.27Å; D593-A598 WeakPolarHBondContact O-CB 3.03Å; S594-A598 PolarHBondContact O-N 3.04Å; S594-A598 VanDerWaalsContact O-N 3.14Å; Q596-A598 VanDerWaalsContact C-N 3.31Å; Q596-A598 PolarHBondContact O-N 3.42Å; A598-L600 PolarHBondContact O-N 3.41Å |
| 599 | W | 93.1 | Very high | 91.5 | Very high | 164 Ų | 164 | 57.2 Ų | 57.2 | 62% | 0.621 | 32% | 0.319 | S | S | * | . | trans | -81.3 | 92.1 | -177.5 | -172.1 | -83.3 | 0 | 0 | 0 | 111.8 | Q596 D644 N645 | Q596-W599 WeakPolarHBondContact O-CB 3.18Å; Q596-W599 PolarHBondContact O-N 3.09Å; W599-D644 CarbonylContact O-C 3.6Å; W599-D644 WeakPolarHBondContact O-CA 3.47Å; W599-N645 HydrophobicContact CB-CB 4.03Å; W599-N645 HydrophobicContact CG-CB 4.46Å; W599-N645 PolarHBondContact O-N 2.87Å | ||
| 600 | L | 93.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | trans | -75.8 | 130.8 | -174.4 | -58.3 | -173.6 | 0 | 0 | 0 | 114.1 | P557 A589 D591 A598 Y602 V642 D644 | P557-L600 HydrophobicContact CB-CD2 3.72Å; P557-L600 HydrophobicContact CG-CD2 3.64Å; A589-L600 VanDerWaalsContact C-CD1 3.48Å; A589-L600 HydrophobicContact CB-CD1 3.8Å; A589-L600 WeakPolarHBondContact O-CD1 3.37Å; D591-L600 HydrophobicContact CB-CD2 4.19Å; A598-L600 PolarHBondContact O-N 3.41Å; L600-Y602 HydrophobicContact CB-CE2 4.23Å; L600-V642 HydrophobicContact CB-CG1 4.21Å; L600-V642 HydrophobicContact CD1-CG1 4.12Å; L600-V642 HydrophobicContact CD2-CG1 4.1Å; L600-V642 HydrophobicContact CG-CG1 4.38Å; L600-D644 HydrophobicContact CD2-CB 4.41Å | ||
| 601 | S | 93.8 | Very high | 90.7 | Very high | 43 Ų | 43 | 61 Ų | 61 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.6 | 170.6 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | A617 V642 K643 | S601-A617 WeakPolarHBondContact CA-O 3.11Å; S601-V642 WeakPolarHBondContact O-CA 3.39Å; S601-K643 PolarHBondContact N-O 2.9Å; S601-K643 PolarHBondContact O-N 3.47Å; S601-K643 PolarHBondContact OG-O 2.86Å |
| 602 | Y | 93.6 | Very high | 90.5 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.3 | -173.2 | -59.6 | -97.8 | 0 | 0 | 0 | 111.3 | V587 L600 A617 G620 L641 V642 | V587-Y602 HydrophobicContact CB-CD1 4.23Å; V587-Y602 HydrophobicContact CB-CE1 4.21Å; V587-Y602 HydrophobicContact CG1-CD1 4.25Å; V587-Y602 HydrophobicContact CG1-CE1 4.05Å; L600-Y602 HydrophobicContact CB-CE2 4.23Å; Y602-A617 PolarHBondContact N-O 3.42Å; Y602-A617 VanDerWaalsContact O-CA 3.29Å; Y602-A617 WeakPolarHBondContact O-CA 3.37Å; Y602-G620 VanDerWaalsContact CD1-CA 3.49Å; Y602-G620 VanDerWaalsContact CG-CA 3.45Å; Y602-L641 CarbonylContact C-O 3.16Å; Y602-L641 WeakPolarHBondContact CA-O 3.34Å; Y602-V642 HydrophobicContact CD1-CG1 4.36Å; Y602-V642 HydrophobicContact CD1-CG2 3.82Å; Y602-V642 HydrophobicContact CE1-CB 4.48Å; Y602-V642 HydrophobicContact CE1-CG1 4Å; Y602-V642 HydrophobicContact CE1-CG2 3.75Å |
| 603 | Q | 93.1 | Very high | 90.5 | Very high | 116 Ų | 116 | 58 Ų | 58 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.9 | -180 | -173 | 179.1 | 7.1 | 0 | 0 | 111.8 | L605 V640 L641 | Q603-L605 PolarHBondContact O-N 2.85Å; Q603-V640 CarbonylContact O-C 3.59Å; Q603-V640 WeakPolarHBondContact O-CA 3.44Å; Q603-L641 HydrophobicContact CB-CB 4.48Å; Q603-L641 PolarHBondContact N-O 3.29Å; Q603-L641 PolarHBondContact O-N 3.09Å |
| 604 | L | 91.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 105.9 | 171 | -174.1 | 60.9 | 0 | 0 | 0 | 110 | A607 F613 V615 L638 V640 | L604-A607 HydrophobicContact CD2-CB 4.31Å; L604-F613 WeakPolarHBondContact CD2-O 3.45Å; L604-V615 HydrophobicContact CB-CB 4.39Å; L604-V615 HydrophobicContact CB-CG2 3.88Å; L604-V615 HydrophobicContact CD1-CG2 4.16Å; L604-V615 HydrophobicContact CG-CG2 4.45Å; L604-L638 HydrophobicContact CD1-CB 3.98Å; L604-L638 HydrophobicContact CD1-CD2 4.41Å; L604-V640 HydrophobicContact CD1-CG2 4.33Å |
| 605 | L | 89.9 | Confident | 90.4 | Very high | 94 Ų | 94 | 58.3 Ų | 58.3 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -41.9 | 177.5 | -76.9 | 179.4 | 0 | 0 | 0 | 112.8 | Q603 V639 L641 T653 | Q603-L605 PolarHBondContact O-N 2.85Å; L605-V639 PolarHBondContact N-O 2.79Å; L605-L641 HydrophobicContact CD1-CB 3.71Å; L605-L641 HydrophobicContact CD1-CD1 3.98Å; L605-L641 HydrophobicContact CD1-CD2 4.32Å; L605-L641 HydrophobicContact CD1-CG 4.24Å; L605-L641 HydrophobicContact CD2-CB 4.42Å; L605-L641 HydrophobicContact CD2-CD2 4.32Å; L605-L641 HydrophobicContact CG-CB 3.73Å; L605-L641 HydrophobicContact CG-CD2 4.45Å; L605-T653 HydrophobicContact CD1-CG2 4.22Å |
| 606 | K | 89.8 | Confident | 90.4 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137 | -174.1 | -166.8 | 166.2 | -175.4 | 165.2 | 0 | 110.6 | L638 V639 | K606-L638 CarbonylContact O-C 3.58Å; K606-L638 WeakPolarHBondContact O-CA 3.46Å; K606-V639 HydrophobicContact CB-CB 4.14Å; K606-V639 HydrophobicContact CB-CG2 4.29Å; K606-V639 PolarHBondContact N-O 2.84Å; K606-V639 PolarHBondContact O-N 2.9Å |
| 607 | A | 89.7 | Confident | 90.4 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L604 E609 L638 | L604-A607 HydrophobicContact CD2-CB 4.31Å; A607-E609 VanDerWaalsContact C-N 3.3Å; A607-E609 WeakPolarHBondContact CB-O 3.49Å; A607-L638 HydrophobicContact CB-CD2 3.49Å; A607-L638 VanDerWaalsContact CB-CD2 3.49Å |
| 608 | T | 87.8 | Confident | 90.3 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -59.5 | -43.6 | 167.3 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | A633 R637 | T608-A633 HydrophobicContact CG2-CB 4.42Å; T608-R637 PolarHBondContact N-O 3.39Å; T608-R637 VanDerWaalsContact N-O 3.09Å; T608-R637 PolarHBondContact OG1-N 2.88Å; T608-R637 PolarHBondContact OG1-O 2.88Å |
| 609 | E | 86.5 | Confident | 90.1 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -118.3 | 107.9 | 175.3 | -67.2 | -58.6 | 156.5 | 0 | 0 | 109.3 | A607 L612 | A607-E609 VanDerWaalsContact C-N 3.3Å; A607-E609 WeakPolarHBondContact CB-O 3.49Å; E609-L612 HydrophobicContact CB-CB 3.86Å; E609-L612 HydrophobicContact CB-CD2 3.95Å; E609-L612 HydrophobicContact CG-CD2 4.3Å; E609-L612 PolarHBondContact O-N 2.85Å |
| 610 | P | 83.8 | Confident | 90 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 136.4 | 179.8 | 27.2 | -33.2 | 0 | 0 | 0 | 110.9 | L612 | P610-L612 VanDerWaalsContact C-N 3.26Å; P610-L612 PolarHBondContact O-N 2.79Å |
| 611 | G | 84.6 | Confident | 90 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 53% | 0.526 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S625 | G611-S625 WeakPolarHBondContact O-CB 3.41Š|
| 612 | L | 88.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -36 | 170.2 | -179.9 | 57.2 | 0 | 0 | 0 | 112.4 | E609 P610 S625 R626 L628 D632 H636 | E609-L612 HydrophobicContact CB-CB 3.86Å; E609-L612 HydrophobicContact CB-CD2 3.95Å; E609-L612 HydrophobicContact CG-CD2 4.3Å; E609-L612 PolarHBondContact O-N 2.85Å; P610-L612 VanDerWaalsContact C-N 3.26Å; P610-L612 PolarHBondContact O-N 2.79Å; L612-S625 PolarHBondContact O-N 3.24Å; L612-R626 HydrophobicContact CD1-CG 3.79Å; L612-L628 HydrophobicContact CD1-CD2 3.77Å; L612-L628 HydrophobicContact CD1-CG 4.36Å; L612-L628 HydrophobicContact CD2-CD2 3.88Å; L612-L628 HydrophobicContact CG-CD2 4.23Å; L612-D632 HydrophobicContact CD2-CB 4.28Å; L612-H636 VanDerWaalsContact CD2-CE1 3.43Å; L612-H636 WeakPolarHBondContact CD2-CE1 3.37Å; L612-H636 WeakPolarHBondContact CD2-NE2 3.27Å |
| 613 | F | 90.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.5 | 177.2 | -58.5 | -83.3 | 0 | 0 | 0 | 110.4 | V584 L604 R623 T624 S625 H636 L638 L658 | V584-F613 HydrophobicContact CG2-CD1 4.14Å; V584-F613 HydrophobicContact CG2-CE1 3.97Å; L604-F613 WeakPolarHBondContact CD2-O 3.45Å; F613-R623 WeakPolarHBondContact CA-O 3.49Å; F613-T624 HydrophobicContact CD1-CG2 4.47Å; F613-T624 HydrophobicContact CE1-CG2 4.18Å; F613-S625 VanDerWaalsContact C-OG 3.3Å; F613-H636 HydrophobicContact CE2-CB 4.1Å; F613-H636 AromaticContact CE2-CD2 3.5Å; F613-H636 VanDerWaalsContact CE2-CD2 3.5Å; F613-H636 WeakPolarHBondContact CE2-CD2 3.44Å; F613-H636 AromaticContact CE2-CG 3.72Å; F613-H636 AromaticContact CE2-NE2 3.89Å; F613-H636 AromaticContact CZ-CD2 3.71Å; F613-L638 HydrophobicContact CB-CD1 3.74Å; F613-L638 HydrophobicContact CB-CD2 4.27Å; F613-L638 HydrophobicContact CD1-CD1 4.43Å; F613-L638 HydrophobicContact CD2-CD1 4.13Å; F613-L638 HydrophobicContact CD2-CD2 3.81Å; F613-L638 HydrophobicContact CD2-CG 4.48Å; F613-L638 HydrophobicContact CG-CD1 3.84Å; F613-L638 HydrophobicContact CG-CD2 4.29Å; F613-L658 HydrophobicContact CD1-CD1 3.89Å; F613-L658 HydrophobicContact CD2-CD1 4.22Å; F613-L658 HydrophobicContact CE1-CD1 3.53Å; F613-L658 HydrophobicContact CE2-CD1 3.88Å; F613-L658 HydrophobicContact CG-CD1 4.21Å; F613-L658 HydrophobicContact CZ-CD1 3.53Å |
| 614 | G | 90.1 | Very high | 89.7 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | V622 R623 S625 | G614-V622 WeakPolarHBondContact O-CA 3.37Å; G614-R623 PolarHBondContact N-O 3.07Å; G614-R623 PolarHBondContact O-N 2.75Å; G614-S625 PolarHBondContact N-OG 3.04Å; G614-S625 VanDerWaalsContact N-OG 3.08Å |
| 615 | V | 92.9 | Very high | 89.5 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.9 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | L604 E621 V622 V640 | L604-V615 HydrophobicContact CB-CB 4.39Å; L604-V615 HydrophobicContact CB-CG2 3.88Å; L604-V615 HydrophobicContact CD1-CG2 4.16Å; L604-V615 HydrophobicContact CG-CG2 4.45Å; V615-E621 WeakPolarHBondContact CA-O 3.33Å; V615-V622 HydrophobicContact CG2-CG1 4.36Å; V615-V622 HydrophobicContact CG2-CG2 4.14Å; V615-V640 HydrophobicContact CG1-CG1 3.96Å; V615-V640 HydrophobicContact CG2-CG1 4.34Å; V615-V640 HydrophobicContact CG2-CG2 3.87Å |
| 616 | W | 92.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 52.9 Ų | 52.9 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | trans | -78.3 | 121.4 | 177.1 | -84.9 | 92.6 | 0 | 0 | 0 | 111.5 | H618 N619 G620 E621 | W616-H618 AromaticContact CE3-CE1 3.42Å; W616-H618 VanDerWaalsContact CE3-CE1 3.42Å; W616-H618 AromaticContact CE3-ND1 3.97Å; W616-H618 AromaticContact CZ3-CE1 3.85Å; W616-H618 PolarHBondContact O-N 3.33Å; W616-H618 VanDerWaalsContact O-N 3.09Å; W616-N619 WeakPolarHBondContact CB-OD1 2.93Å; W616-N619 PolarHBondContact O-N 3.42Å; W616-G620 PolarHBondContact O-N 2.82Å; W616-E621 HydrophobicContact CB-CB 4.29Å; W616-E621 PolarHBondContact N-O 3.42Å | ||
| 617 | A | 90 | Very high | 89.2 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | S601 Y602 | S601-A617 WeakPolarHBondContact CA-O 3.11Å; Y602-A617 PolarHBondContact N-O 3.42Å; Y602-A617 VanDerWaalsContact O-CA 3.29Å; Y602-A617 WeakPolarHBondContact O-CA 3.37Å |
| 618 | H | 88.3 | Confident | 88.9 | Confident | 129 Ų | 129 | 52.2 Ų | 52.2 | 60% | 0.597 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -8.7 | -174.5 | 63.2 | -97.9 | 0 | 0 | 0 | 114.3 | W616 | W616-H618 AromaticContact CE3-CE1 3.42Å; W616-H618 VanDerWaalsContact CE3-CE1 3.42Å; W616-H618 AromaticContact CE3-ND1 3.97Å; W616-H618 AromaticContact CZ3-CE1 3.85Å; W616-H618 PolarHBondContact O-N 3.33Å; W616-H618 VanDerWaalsContact O-N 3.09Å |
| 619 | N | 89.1 | Confident | 88.6 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | -1.7 | -177 | 70.9 | 5 | 0 | 0 | 0 | 114.3 | K586 W616 E621 | K586-N619 WeakPolarHBondContact CE-O 3.28Å; K586-N619 WeakPolarHBondContact CG-O 3.35Å; W616-N619 WeakPolarHBondContact CB-OD1 2.93Å; W616-N619 PolarHBondContact O-N 3.42Å; N619-E621 VanDerWaalsContact ND2-CD 3.3Å; N619-E621 PolarHBondContact ND2-OE1 2.69Å; N619-E621 PolarHBondContact O-N 2.84Å; N619-E621 WeakPolarHBondContact OD1-CB 3.3Å; N619-E621 PolarHBondContact OD1-N 3.2Å |
| 620 | G | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | 71.6 | 8.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V587 Y602 W616 V622 | V587-G620 PolarHBondContact N-O 2.8Å; Y602-G620 VanDerWaalsContact CD1-CA 3.49Å; Y602-G620 VanDerWaalsContact CG-CA 3.45Å; W616-G620 PolarHBondContact O-N 2.82Å; G620-V622 PolarHBondContact O-N 2.82Å | ||
| 621 | E | 93.2 | Very high | 87.9 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.4 | 178.9 | -73.4 | -179.5 | -164 | 0 | 0 | 111.9 | L583 K586 V615 W616 N619 R623 | L583-E621 HydrophobicContact CD1-CB 3.84Å; L583-E621 HydrophobicContact CD1-CG 3.89Å; K586-E621 HydrophobicContact CB-CG 4.38Å; K586-E621 HydrophobicContact CD-CG 4.15Å; K586-E621 HydrophobicContact CG-CG 3.98Å; V615-E621 WeakPolarHBondContact CA-O 3.33Å; W616-E621 HydrophobicContact CB-CB 4.29Å; W616-E621 PolarHBondContact N-O 3.42Å; N619-E621 VanDerWaalsContact ND2-CD 3.3Å; N619-E621 PolarHBondContact ND2-OE1 2.69Å; N619-E621 PolarHBondContact O-N 2.84Å; N619-E621 WeakPolarHBondContact OD1-CB 3.3Å; N619-E621 PolarHBondContact OD1-N 3.2Å; E621-R623 IonicContact OE2-CZ 3.47Å; E621-R623 VanDerWaalsContact OE2-CZ 3.24Å; E621-R623 IonicContact OE2-NE 3.28Å; E621-R623 PolarHBondContact OE2-NE 3.13Å; E621-R623 IonicContact OE2-NH2 2.92Å; E621-R623 PolarHBondContact OE2-NH2 2.82Å |
| 622 | V | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.2 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | V584 T585 V587 G614 V615 G620 L638 L656 | V584-V622 WeakPolarHBondContact CB-O 3.49Å; V584-V622 PolarHBondContact N-O 2.73Å; T585-V622 HydrophobicContact CG2-CB 3.99Å; T585-V622 HydrophobicContact CG2-CG2 3.95Å; T585-V622 PolarHBondContact N-O 3.05Å; T585-V622 PolarHBondContact O-N 2.9Å; V587-V622 HydrophobicContact CG2-CG2 4.11Å; G614-V622 WeakPolarHBondContact O-CA 3.37Å; V615-V622 HydrophobicContact CG2-CG1 4.36Å; V615-V622 HydrophobicContact CG2-CG2 4.14Å; G620-V622 PolarHBondContact O-N 2.82Å; V622-L638 HydrophobicContact CG1-CD1 3.7Å; V622-L656 HydrophobicContact CG2-CD1 3.72Å |
| 623 | R | 92.1 | Very high | 87.6 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.9 | -176 | -56 | -168.4 | 178.3 | -159 | 5.4 | 111.8 | G581 Y582 L583 F613 G614 E621 | G581-R623 WeakPolarHBondContact O-CD 3.29Å; Y582-R623 CarbonylContact O-C 3.55Å; Y582-R623 WeakPolarHBondContact O-CA 3.17Å; Y582-R623 WeakPolarHBondContact O-CB 3.42Å; L583-R623 HydrophobicContact CD1-CG 4.15Å; F613-R623 WeakPolarHBondContact CA-O 3.49Å; G614-R623 PolarHBondContact N-O 3.07Å; G614-R623 PolarHBondContact O-N 2.75Å; E621-R623 IonicContact OE2-CZ 3.47Å; E621-R623 VanDerWaalsContact OE2-CZ 3.24Å; E621-R623 IonicContact OE2-NE 3.28Å; E621-R623 PolarHBondContact OE2-NE 3.13Å; E621-R623 IonicContact OE2-NH2 2.92Å; E621-R623 PolarHBondContact OE2-NH2 2.82Å |
| 624 | T | 90.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 136 | 168.2 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | V574 A578 E579 G581 Y582 V584 F613 | V574-T624 HydrophobicContact CG1-CG2 4.48Å; A578-T624 HydrophobicContact CB-CG2 4.26Å; E579-T624 PolarHBondContact O-OG1 3.4Å; G581-T624 WeakPolarHBondContact CA-O 3.45Å; G581-T624 PolarHBondContact N-O 3.42Å; G581-T624 PolarHBondContact N-OG1 2.66Å; G581-T624 VanDerWaalsContact N-OG1 3.13Å; Y582-T624 WeakPolarHBondContact CB-OG1 3.47Å; Y582-T624 HydrophobicContact CD1-CG2 4.47Å; Y582-T624 PolarHBondContact N-OG1 3Å; Y582-T624 PolarHBondContact O-N 3.03Å; V584-T624 HydrophobicContact CG2-CG2 4.23Å; F613-T624 HydrophobicContact CD1-CG2 4.47Å; F613-T624 HydrophobicContact CE1-CG2 4.18Å |
| 625 | S | 88.2 | Confident | 87 | Confident | 65 Ų | 65 | 72.2 Ų | 72.2 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | trans | -100.3 | -22.2 | 178.2 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | G611 L612 F613 G614 | G611-S625 WeakPolarHBondContact O-CB 3.41Å; L612-S625 PolarHBondContact O-N 3.24Å; F613-S625 VanDerWaalsContact C-OG 3.3Å; G614-S625 PolarHBondContact N-OG 3.04Å; G614-S625 VanDerWaalsContact N-OG 3.08Å | ||
| 626 | R | 87.9 | Confident | 86.8 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -145 | 170.1 | 174.8 | 62.8 | 168.8 | 178.5 | 84.1 | -7.5 | 110.7 | L612 D632 | L612-R626 HydrophobicContact CD1-CG 3.79Å; R626-D632 IonicContact CZ-OD1 3.69Å; R626-D632 IonicContact CZ-OD2 2.82Å; R626-D632 IonicContact NH1-OD1 3.76Å; R626-D632 PolarHBondContact NH1-OD1 3.07Å; R626-D632 IonicContact NH1-OD2 2.83Å; R626-D632 PolarHBondContact NH1-OD2 3.41Å; R626-D632 IonicContact NH2-OD1 3.68Å; R626-D632 PolarHBondContact NH2-OD1 3.18Å; R626-D632 IonicContact NH2-OD2 3.93Å |
| 627 | L | 85.4 | Confident | 86.6 | Confident | 118 Ų | 118 | 71.3 Ų | 71.3 | 62% | 0.618 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 142.3 | 170.2 | -74.3 | 161 | 0 | 0 | 0 | 111.2 | P580 | P580-L627 HydrophobicContact CG-CD2 4.46Å; P580-L627 HydrophobicContact CG-CG 4.02Å |
| 628 | L | 84.3 | Confident | 86.6 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 130.1 | 176.4 | -71.4 | 155.7 | 0 | 0 | 0 | 110.1 | V574 P575 A578 L612 L660 | V574-L628 HydrophobicContact CG1-CD1 4.07Å; P575-L628 WeakPolarHBondContact O-CD1 3.48Å; A578-L628 HydrophobicContact CB-CD1 4.04Å; L612-L628 HydrophobicContact CD1-CD2 3.77Å; L612-L628 HydrophobicContact CD1-CG 4.36Å; L612-L628 HydrophobicContact CD2-CD2 3.88Å; L612-L628 HydrophobicContact CG-CD2 4.23Å; L628-L660 HydrophobicContact CD1-CD2 4.21Å; L628-L660 HydrophobicContact CD2-CD1 3.8Å; L628-L660 HydrophobicContact CD2-CD2 3.65Å; L628-L660 HydrophobicContact CD2-CG 4.39Å |
| 629 | S | 80.6 | Confident | 86.8 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -101 | 155.3 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | R576 R631 D632 | R576-S629 PolarHBondContact NH1-O 2.77Å; S629-R631 PolarHBondContact O-N 3.46Å; S629-R631 PolarHBondContact OG-N 2.89Å; S629-D632 WeakPolarHBondContact CB-OD2 3.44Å; S629-D632 PolarHBondContact N-OD2 3.33Å; S629-D632 WeakPolarHBondContact O-CB 3.47Å; S629-D632 PolarHBondContact O-N 2.84Å; S629-D632 VanDerWaalsContact O-N 3.07Å |
| 630 | E | 76.1 | Confident | 86.9 | Confident | 187 Ų | 187 | 61.8 Ų | 61.8 | 87% | 0.874 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.1 | 167.1 | -64.9 | -177.9 | 169 | 0 | 0 | 112.7 | ||
| 631 | R | 79 | Confident | 87.1 | Confident | 232 Ų | 232 | 62.9 Ų | 62.9 | 88% | 0.875 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -16.4 | 176.1 | -60.5 | -174.7 | -177.1 | -169.3 | 1.2 | 113.8 | S629 | S629-R631 PolarHBondContact O-N 3.46Å; S629-R631 PolarHBondContact OG-N 2.89Å |
| 632 | D | 83.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -75.1 | 134.8 | -180 | -64.6 | -41.1 | 0 | 0 | 0 | 110.1 | R576 L612 R626 S629 A634 L660 | R576-D632 PolarHBondContact NH1-O 3.12Å; L612-D632 HydrophobicContact CD2-CB 4.28Å; R626-D632 IonicContact CZ-OD1 3.69Å; R626-D632 IonicContact CZ-OD2 2.82Å; R626-D632 IonicContact NH1-OD1 3.76Å; R626-D632 PolarHBondContact NH1-OD1 3.07Å; R626-D632 IonicContact NH1-OD2 2.83Å; R626-D632 PolarHBondContact NH1-OD2 3.41Å; R626-D632 IonicContact NH2-OD1 3.68Å; R626-D632 PolarHBondContact NH2-OD1 3.18Å; R626-D632 IonicContact NH2-OD2 3.93Å; S629-D632 WeakPolarHBondContact CB-OD2 3.44Å; S629-D632 PolarHBondContact N-OD2 3.33Å; S629-D632 WeakPolarHBondContact O-CB 3.47Å; S629-D632 PolarHBondContact O-N 2.84Å; S629-D632 VanDerWaalsContact O-N 3.07Å; D632-A634 PolarHBondContact O-N 3.37Å; D632-L660 HydrophobicContact CB-CD1 4.45Å |
| 633 | A | 83.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | trans | -57.1 | 130.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T608 K635 H636 | T608-A633 HydrophobicContact CG2-CB 4.42Å; A633-K635 PolarHBondContact O-N 3.25Å; A633-H636 PolarHBondContact O-CE1 3.03Å; A633-H636 PolarHBondContact O-NE2 3.05Å; A633-H636 VanDerWaalsContact O-NE2 3.09Å | ||
| 634 | A | 82.6 | Confident | 87.3 | Confident | 45 Ų | 45 | 61 Ų | 61 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -62.5 | -20.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D632 L660 | D632-A634 PolarHBondContact O-N 3.37Å; A634-L660 PolarHBondContact O-N 2.85Å |
| 635 | K | 86 | Confident | 87.3 | Confident | 160 Ų | 160 | 65.1 Ų | 65.1 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122 | 175.8 | -70 | -179 | -179.8 | -176.7 | 0 | 109.5 | A633 L658 L659 | A633-K635 PolarHBondContact O-N 3.25Å; K635-L658 WeakPolarHBondContact CA-O 3.43Å; K635-L659 HydrophobicContact CD-CD1 4.42Å; K635-L659 HydrophobicContact CG-CD1 3.61Å |
| 636 | H | 87.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.1 | 172.5 | -52.2 | -75.6 | 0 | 0 | 0 | 111 | L612 F613 A633 L658 L660 | L612-H636 VanDerWaalsContact CD2-CE1 3.43Å; L612-H636 WeakPolarHBondContact CD2-CE1 3.37Å; L612-H636 WeakPolarHBondContact CD2-NE2 3.27Å; F613-H636 HydrophobicContact CE2-CB 4.1Å; F613-H636 AromaticContact CE2-CD2 3.5Å; F613-H636 VanDerWaalsContact CE2-CD2 3.5Å; F613-H636 WeakPolarHBondContact CE2-CD2 3.44Å; F613-H636 AromaticContact CE2-CG 3.72Å; F613-H636 AromaticContact CE2-NE2 3.89Å; F613-H636 AromaticContact CZ-CD2 3.71Å; A633-H636 PolarHBondContact O-CE1 3.03Å; A633-H636 PolarHBondContact O-NE2 3.05Å; A633-H636 VanDerWaalsContact O-NE2 3.09Å; H636-L658 HydrophobicContact CB-CB 4.26Å; H636-L658 PolarHBondContact N-O 3.39Å; H636-L658 PolarHBondContact O-N 3.09Å; H636-L660 WeakPolarHBondContact NE2-CD1 3.5Å |
| 637 | R | 89.4 | Confident | 87.3 | Confident | 128 Ų | 128 | 66.6 Ų | 66.6 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.1 | 167 | -165.8 | 175.4 | 81.8 | -135.6 | 13.5 | 108.3 | T608 T655 L656 | T608-R637 PolarHBondContact N-O 3.39Å; T608-R637 VanDerWaalsContact N-O 3.09Å; T608-R637 PolarHBondContact OG1-N 2.88Å; T608-R637 PolarHBondContact OG1-O 2.88Å; R637-T655 HydrophobicContact CG-CG2 3.68Å; R637-L656 CarbonylContact C-O 3.45Å; R637-L656 WeakPolarHBondContact CA-O 2.85Å |
| 638 | L | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 144.2 | 171.6 | -50 | -176.4 | 0 | 0 | 0 | 108.7 | L604 K606 A607 F613 V622 T655 L656 L658 | L604-L638 HydrophobicContact CD1-CB 3.98Å; L604-L638 HydrophobicContact CD1-CD2 4.41Å; K606-L638 CarbonylContact O-C 3.58Å; K606-L638 WeakPolarHBondContact O-CA 3.46Å; A607-L638 HydrophobicContact CB-CD2 3.49Å; A607-L638 VanDerWaalsContact CB-CD2 3.49Å; F613-L638 HydrophobicContact CB-CD1 3.74Å; F613-L638 HydrophobicContact CB-CD2 4.27Å; F613-L638 HydrophobicContact CD1-CD1 4.43Å; F613-L638 HydrophobicContact CD2-CD1 4.13Å; F613-L638 HydrophobicContact CD2-CD2 3.81Å; F613-L638 HydrophobicContact CD2-CG 4.48Å; F613-L638 HydrophobicContact CG-CD1 3.84Å; F613-L638 HydrophobicContact CG-CD2 4.29Å; V622-L638 HydrophobicContact CG1-CD1 3.7Å; L638-T655 WeakPolarHBondContact O-CA 3.5Å; L638-L656 HydrophobicContact CB-CB 4.04Å; L638-L656 PolarHBondContact N-O 2.87Å; L638-L656 PolarHBondContact O-N 2.89Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L638-L658 HydrophobicContact CD1-CG 4.43Å; L638-L658 HydrophobicContact CG-CD1 4.03Å; L638-L658 HydrophobicContact CG-CG 4.5Å |
| 639 | V | 91.2 | Very high | 87.9 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 111.5 | 170.6 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | L605 K606 T653 A654 | L605-V639 PolarHBondContact N-O 2.79Å; K606-V639 HydrophobicContact CB-CB 4.14Å; K606-V639 HydrophobicContact CB-CG2 4.29Å; K606-V639 PolarHBondContact N-O 2.84Å; K606-V639 PolarHBondContact O-N 2.9Å; V639-T653 HydrophobicContact CG1-CG2 4.25Å; V639-A654 WeakPolarHBondContact CA-O 3.38Å |
| 640 | V | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.2 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | V587 Q603 L604 V615 T653 A654 L656 | V587-V640 HydrophobicContact CG2-CB 4.18Å; V587-V640 HydrophobicContact CG2-CG1 4.2Å; V587-V640 HydrophobicContact CG2-CG2 4.08Å; Q603-V640 CarbonylContact O-C 3.59Å; Q603-V640 WeakPolarHBondContact O-CA 3.44Å; L604-V640 HydrophobicContact CD1-CG2 4.33Å; V615-V640 HydrophobicContact CG1-CG1 3.96Å; V615-V640 HydrophobicContact CG2-CG1 4.34Å; V615-V640 HydrophobicContact CG2-CG2 3.87Å; V640-T653 CarbonylContact O-C 3.49Å; V640-T653 WeakPolarHBondContact O-CA 3.14Å; V640-A654 HydrophobicContact CB-CB 4.44Å; V640-A654 PolarHBondContact N-O 3.17Å; V640-A654 PolarHBondContact O-N 2.87Å; V640-L656 HydrophobicContact CG2-CD1 4.12Å |
| 641 | L | 93.4 | Very high | 89.3 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 129.6 | 166.4 | -170.9 | 69.5 | 0 | 0 | 0 | 108.2 | Y602 Q603 L605 K643 T653 | Y602-L641 CarbonylContact C-O 3.16Å; Y602-L641 WeakPolarHBondContact CA-O 3.34Å; Q603-L641 HydrophobicContact CB-CB 4.48Å; Q603-L641 PolarHBondContact N-O 3.29Å; Q603-L641 PolarHBondContact O-N 3.09Å; L605-L641 HydrophobicContact CD1-CB 3.71Å; L605-L641 HydrophobicContact CD1-CD1 3.98Å; L605-L641 HydrophobicContact CD1-CD2 4.32Å; L605-L641 HydrophobicContact CD1-CG 4.24Å; L605-L641 HydrophobicContact CD2-CB 4.42Å; L605-L641 HydrophobicContact CD2-CD2 4.32Å; L605-L641 HydrophobicContact CG-CB 3.73Å; L605-L641 HydrophobicContact CG-CD2 4.45Å; L641-K643 HydrophobicContact CD2-CB 4.24Å; L641-K643 HydrophobicContact CG-CB 4.27Å; L641-T653 HydrophobicContact CD1-CG2 3.79Å |
| 642 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.7 | 159.1 | -170.8 | 0 | 0 | 0 | 0 | 106.1 | P557 V559 V587 A589 L600 S601 Y602 S651 A652 | P557-V642 HydrophobicContact CB-CB 4.16Å; P557-V642 HydrophobicContact CB-CG1 3.74Å; P557-V642 HydrophobicContact CG-CG1 4.42Å; V559-V642 HydrophobicContact CG2-CG2 4.04Å; V587-V642 HydrophobicContact CG1-CG2 3.98Å; A589-V642 HydrophobicContact CB-CB 4.35Å; A589-V642 HydrophobicContact CB-CG1 3.75Å; A589-V642 HydrophobicContact CB-CG2 4.04Å; L600-V642 HydrophobicContact CB-CG1 4.21Å; L600-V642 HydrophobicContact CD1-CG1 4.12Å; L600-V642 HydrophobicContact CD2-CG1 4.1Å; L600-V642 HydrophobicContact CG-CG1 4.38Å; S601-V642 WeakPolarHBondContact O-CA 3.39Å; Y602-V642 HydrophobicContact CD1-CG1 4.36Å; Y602-V642 HydrophobicContact CD1-CG2 3.82Å; Y602-V642 HydrophobicContact CE1-CB 4.48Å; Y602-V642 HydrophobicContact CE1-CG1 4Å; Y602-V642 HydrophobicContact CE1-CG2 3.75Å; V642-S651 CarbonylContact O-C 3.59Å; V642-S651 WeakPolarHBondContact O-CA 3.4Å; V642-S651 WeakPolarHBondContact O-CB 3.44Å; V642-A652 PolarHBondContact N-O 3.3Å; V642-A652 PolarHBondContact O-N 3.15Å |
| 643 | K | 93.3 | Very high | 90.3 | Very high | 75 Ų | 75 | 57 Ų | 57 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 128.6 | -176.1 | -172.5 | -154.2 | 164.9 | -169.4 | 0 | 109 | S601 L641 P649 R650 | S601-K643 PolarHBondContact N-O 2.9Å; S601-K643 PolarHBondContact O-N 3.47Å; S601-K643 PolarHBondContact OG-O 2.86Å; L641-K643 HydrophobicContact CD2-CB 4.24Å; L641-K643 HydrophobicContact CG-CB 4.27Å; K643-P649 HydrophobicContact CD-CB 4.49Å; K643-P649 VanDerWaalsContact CE-CG 3.4Å; K643-P649 HydrophobicContact CG-CB 4.45Å; K643-R650 WeakPolarHBondContact CA-O 3.39Å; K643-R650 WeakPolarHBondContact CG-O 3.37Å |
| 644 | D | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -70.1 | 177.9 | 170.5 | 53.6 | 77 | 0 | 0 | 0 | 113 | N553 P557 N597 W599 L600 G646 P649 R650 | N553-D644 PolarHBondContact ND2-OD1 3.31Å; N553-D644 PolarHBondContact OD1-OD1 2.96Å; P557-D644 WeakPolarHBondContact CD-OD2 3.02Å; P557-D644 HydrophobicContact CG-CB 4.27Å; N597-D644 WeakPolarHBondContact O-CB 3.42Å; W599-D644 CarbonylContact O-C 3.6Å; W599-D644 WeakPolarHBondContact O-CA 3.47Å; L600-D644 HydrophobicContact CD2-CB 4.41Å; D644-G646 PolarHBondContact OD1-N 3.2Å; D644-P649 WeakPolarHBondContact OD1-CA 3.18Å; D644-R650 VanDerWaalsContact CG-N 3.29Å; D644-R650 PolarHBondContact N-O 3.04Å; D644-R650 PolarHBondContact OD1-N 3.35Å; D644-R650 WeakPolarHBondContact OD2-CA 3.44Å; D644-R650 WeakPolarHBondContact OD2-CB 3.37Å; D644-R650 PolarHBondContact OD2-N 3.48Å | ||
| 645 | N | 91.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -112.5 | 19.2 | 177 | -157.4 | 49.7 | 0 | 0 | 0 | 112.7 | Q596 W599 | Q596-N645 CarbonylContact O-C 3.51Å; Q596-N645 WeakPolarHBondContact O-CB 3.29Å; Q596-N645 PolarHBondContact O-N 3.22Å; Q596-N645 PolarHBondContact OE1-ND2 3.25Å; W599-N645 HydrophobicContact CB-CB 4.03Å; W599-N645 HydrophobicContact CG-CB 4.46Å; W599-N645 PolarHBondContact O-N 2.87Å |
| 646 | G | 89.4 | Confident | 91 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -78 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q596 N597 D644 P648 P649 | Q596-G646 PolarHBondContact O-N 3.31Å; N597-G646 VanDerWaalsContact OD1-CA 3.32Å; N597-G646 WeakPolarHBondContact OD1-CA 3.15Å; D644-G646 PolarHBondContact OD1-N 3.2Å; G646-P648 CarbonylContact O-C 3.54Å; G646-P649 WeakPolarHBondContact O-CA 3.06Å; G646-P649 VanDerWaalsContact O-CB 3.26Å; G646-P649 WeakPolarHBondContact O-CB 3.43Å; G646-P649 WeakPolarHBondContact O-CD 3.46Å; G646-P649 VanDerWaalsContact O-N 3.09Å |
| 647 | E | 86.1 | Confident | 90.9 | Very high | 182 Ų | 182 | 50.3 Ų | 50.3 | 85% | 0.85 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -126.8 | 118.6 | 175.8 | -70.3 | -165.3 | 163 | 0 | 0 | 111.3 | ||
| 648 | P | 90.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 44.4 Ų | 44.4 | 66% | 0.662 | 24% | 0.243 | S | C | * | . | S | Bend | cis | -70.1 | 141.3 | -7.3 | 31.7 | -34.5 | 0 | 0 | 0 | 110.7 | N553 G646 | N553-P648 PolarHBondContact ND2-O 3.31Å; G646-P648 CarbonylContact O-C 3.54Å |
| 649 | P | 91.3 | Very high | 90.7 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | trans | -74.4 | 140.6 | -175.7 | 28.5 | -34.3 | 0 | 0 | 0 | 111.3 | K643 D644 G646 | K643-P649 HydrophobicContact CD-CB 4.49Å; K643-P649 VanDerWaalsContact CE-CG 3.4Å; K643-P649 HydrophobicContact CG-CB 4.45Å; D644-P649 WeakPolarHBondContact OD1-CA 3.18Å; G646-P649 WeakPolarHBondContact O-CA 3.06Å; G646-P649 VanDerWaalsContact O-CB 3.26Å; G646-P649 WeakPolarHBondContact O-CB 3.43Å; G646-P649 WeakPolarHBondContact O-CD 3.46Å; G646-P649 VanDerWaalsContact O-N 3.09Å | ||
| 650 | R | 93.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 46.3 Ų | 46.3 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | trans | -105.2 | 174.9 | 178.9 | -62.4 | 171 | 170.4 | -137.4 | 11.1 | 109.5 | N553 D554 N555 K643 D644 | N553-R650 PolarHBondContact ND2-N 2.92Å; N553-R650 VanDerWaalsContact O-CZ 3.26Å; N553-R650 PolarHBondContact O-NE 2.82Å; N553-R650 PolarHBondContact O-NH2 3.05Å; N553-R650 VanDerWaalsContact O-NH2 3.15Å; D554-R650 VanDerWaalsContact C-CZ 3.48Å; D554-R650 VanDerWaalsContact CA-NH2 3.33Å; D554-R650 PolarHBondContact O-NH1 2.92Å; D554-R650 PolarHBondContact O-NH2 2.88Å; N555-R650 WeakPolarHBondContact O-CD 3.17Å; N555-R650 PolarHBondContact O-NE 2.87Å; N555-R650 PolarHBondContact O-NH1 2.58Å; K643-R650 WeakPolarHBondContact CA-O 3.39Å; K643-R650 WeakPolarHBondContact CG-O 3.37Å; D644-R650 VanDerWaalsContact CG-N 3.29Å; D644-R650 PolarHBondContact N-O 3.04Å; D644-R650 PolarHBondContact OD1-N 3.35Å; D644-R650 WeakPolarHBondContact OD2-CA 3.44Å; D644-R650 WeakPolarHBondContact OD2-CB 3.37Å; D644-R650 PolarHBondContact OD2-N 3.48Å | ||
| 651 | S | 93.3 | Very high | 89.9 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 153.5 | -175.5 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | V642 | V642-S651 CarbonylContact O-C 3.59Å; V642-S651 WeakPolarHBondContact O-CA 3.4Å; V642-S651 WeakPolarHBondContact O-CB 3.44Å |
| 652 | A | 92.3 | Very high | 89 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 22% | 0.223 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 161.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P557 V559 V642 | P557-A652 WeakPolarHBondContact O-CB 3.42Å; V559-A652 HydrophobicContact CG2-CB 4.34Å; V642-A652 PolarHBondContact N-O 3.3Å; V642-A652 PolarHBondContact O-N 3.15Å |
| 653 | T | 91.3 | Very high | 87.6 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.9 | 177.9 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | L605 V639 V640 L641 | L605-T653 HydrophobicContact CD1-CG2 4.22Å; V639-T653 HydrophobicContact CG1-CG2 4.25Å; V640-T653 CarbonylContact O-C 3.49Å; V640-T653 WeakPolarHBondContact O-CA 3.14Å; L641-T653 HydrophobicContact CD1-CG2 3.79Å |
| 654 | A | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V559 V587 V639 V640 | V559-A654 HydrophobicContact CG1-CB 3.89Å; V559-A654 HydrophobicContact CG2-CB 4.12Å; V587-A654 HydrophobicContact CG1-CB 3.81Å; V587-A654 HydrophobicContact CG2-CB 4.39Å; V639-A654 WeakPolarHBondContact CA-O 3.38Å; V640-A654 HydrophobicContact CB-CB 4.44Å; V640-A654 PolarHBondContact N-O 3.17Å; V640-A654 PolarHBondContact O-N 2.87Å |
| 655 | T | 88.6 | Confident | 84 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.5 | 168.4 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | Q564 R637 L638 | Q564-T655 PolarHBondContact NE2-O 3.15Å; R637-T655 HydrophobicContact CG-CG2 3.68Å; L638-T655 WeakPolarHBondContact O-CA 3.5Å |
| 656 | L | 87.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | 179.5 | -92.2 | 166.7 | 0 | 0 | 0 | 109.2 | P562 E572 T585 V587 V622 R637 L638 V640 | P562-L656 HydrophobicContact CB-CD2 4.4Å; P562-L656 HydrophobicContact CG-CD2 3.64Å; P562-L656 HydrophobicContact CG-CG 4Å; E572-L656 HydrophobicContact CG-CD2 4.26Å; T585-L656 HydrophobicContact CG2-CD1 3.88Å; T585-L656 HydrophobicContact CG2-CD2 3.64Å; T585-L656 HydrophobicContact CG2-CG 4.44Å; V587-L656 HydrophobicContact CG2-CD1 3.86Å; V622-L656 HydrophobicContact CG2-CD1 3.72Å; R637-L656 CarbonylContact C-O 3.45Å; R637-L656 WeakPolarHBondContact CA-O 2.85Å; L638-L656 HydrophobicContact CB-CB 4.04Å; L638-L656 PolarHBondContact N-O 2.87Å; L638-L656 PolarHBondContact O-N 2.89Å; V640-L656 HydrophobicContact CG2-CD1 4.12Å |
| 657 | H | 87.4 | Confident | 79.5 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.2 | 172.4 | -68.9 | -86 | 0 | 0 | 0 | 108.5 | T571 E572 | T571-H657 CarbonylContact C-O 3.49Å; T571-H657 VanDerWaalsContact CA-O 3.28Å; T571-H657 WeakPolarHBondContact CA-O 3.28Å; T571-H657 HydrophobicContact CG2-CB 4.44Å; E572-H657 PolarHBondContact N-O 3.36Å |
| 658 | L | 88.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.8 | 178.7 | -48.3 | -177.6 | 0 | 0 | 0 | 109.5 | E572 V574 V584 F613 K635 H636 L638 | E572-L658 HydrophobicContact CB-CD2 3.71Å; E572-L658 HydrophobicContact CG-CD2 4.25Å; E572-L658 WeakPolarHBondContact O-CA 3.31Å; V574-L658 HydrophobicContact CG2-CB 4.42Å; V584-L658 HydrophobicContact CG1-CD1 4.06Å; V584-L658 HydrophobicContact CG1-CD2 3.56Å; V584-L658 HydrophobicContact CG1-CG 4.44Å; F613-L658 HydrophobicContact CD1-CD1 3.89Å; F613-L658 HydrophobicContact CD2-CD1 4.22Å; F613-L658 HydrophobicContact CE1-CD1 3.53Å; F613-L658 HydrophobicContact CE2-CD1 3.88Å; F613-L658 HydrophobicContact CG-CD1 4.21Å; F613-L658 HydrophobicContact CZ-CD1 3.53Å; K635-L658 WeakPolarHBondContact CA-O 3.43Å; H636-L658 HydrophobicContact CB-CB 4.26Å; H636-L658 PolarHBondContact N-O 3.39Å; H636-L658 PolarHBondContact O-N 3.09Å; L638-L658 HydrophobicContact CD1-CD1 3.62Å; L638-L658 HydrophobicContact CD1-CG 4.43Å; L638-L658 HydrophobicContact CG-CD1 4.03Å; L638-L658 HydrophobicContact CG-CG 4.5Å |
| 659 | L | 86.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 72 Ų | 72 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.3 | 173.2 | -176.4 | 72.5 | 0 | 0 | 0 | 109.4 | T571 E572 L573 V574 K635 V661 | T571-L659 HydrophobicContact CG2-CB 3.85Å; E572-L659 PolarHBondContact O-N 2.9Å; L573-L659 HydrophobicContact CD2-CB 4.02Å; L573-L659 HydrophobicContact CD2-CD2 3.9Å; L573-L659 HydrophobicContact CD2-CG 4.42Å; V574-L659 PolarHBondContact N-O 2.94Å; K635-L659 HydrophobicContact CD-CD1 4.42Å; K635-L659 HydrophobicContact CG-CD1 3.61Å; L659-V661 HydrophobicContact CD2-CG1 4.23Å; L659-V661 HydrophobicContact CG-CG1 4.29Å |
| 660 | L | 85.3 | Confident | 72.6 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.6 | 172.4 | -58.1 | -172.7 | 0 | 0 | 0 | 109.7 | V574 R576 L628 D632 A634 H636 | V574-L660 HydrophobicContact CB-CD2 4.03Å; V574-L660 HydrophobicContact CG1-CD2 4.23Å; V574-L660 WeakPolarHBondContact O-CA 3.49Å; R576-L660 HydrophobicContact CG-CB 4.22Å; L628-L660 HydrophobicContact CD1-CD2 4.21Å; L628-L660 HydrophobicContact CD2-CD1 3.8Å; L628-L660 HydrophobicContact CD2-CD2 3.65Å; L628-L660 HydrophobicContact CD2-CG 4.39Å; D632-L660 HydrophobicContact CB-CD1 4.45Å; A634-L660 PolarHBondContact O-N 2.85Å; H636-L660 WeakPolarHBondContact NE2-CD1 3.5Å |
| 661 | V | 81.9 | Confident | 69.9 | Low | 28 Ų | 28 | 78 Ų | 78 | 17% | 0.17 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.1 | 177.7 | -64.5 | 0 | 0 | 0 | 0 | 111 | L573 V574 P575 R576 L659 G663 F664 | L573-V661 HydrophobicContact CB-CG2 4.45Å; L573-V661 HydrophobicContact CD2-CG1 4.14Å; V574-V661 PolarHBondContact O-N 3.29Å; P575-V661 CarbonylContact C-O 3.54Å; P575-V661 VanDerWaalsContact CA-O 3.31Å; P575-V661 WeakPolarHBondContact CA-O 3.35Å; R576-V661 PolarHBondContact N-O 2.98Å; L659-V661 HydrophobicContact CD2-CG1 4.23Å; L659-V661 HydrophobicContact CG-CG1 4.29Å; V661-G663 PolarHBondContact O-N 2.92Å; V661-F664 HydrophobicContact CG2-CD1 4.24Å; V661-F664 HydrophobicContact CG2-CE1 4.32Å |
| 662 | D | 73.5 | Confident | 67.5 | Low | 121 Ų | 121 | 80.2 Ų | 80.2 | 65% | 0.647 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -79.2 | -8.6 | -178.4 | -55.2 | -28.9 | 0 | 0 | 0 | 112.1 | R576 | R576-D662 WeakPolarHBondContact CD-OD1 3.38Å; R576-D662 WeakPolarHBondContact CG-OD1 3.21Å; R576-D662 IonicContact CZ-OD1 3.98Å; R576-D662 IonicContact NE-OD1 2.68Å; R576-D662 PolarHBondContact NE-OD1 3.44Å |
| 663 | G | 64.1 | Low | 65.2 | Low | 24 Ų | 24 | 88.8 Ų | 88.8 | 25% | 0.247 | 48% | 0.48 | C | S | . | . | trans | 176.2 | 147.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V661 S665 | V661-G663 PolarHBondContact O-N 2.92Å; G663-S665 PolarHBondContact O-N 3.04Å | ||
| 664 | F | 60.8 | Low | 62.8 | Low | 128 Ų | 128 | 89.6 Ų | 89.6 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 2.3 | -179.8 | -62.7 | -74.2 | 0 | 0 | 0 | 114.6 | L573 P575 V661 | L573-F664 HydrophobicContact CB-CD1 4.34Å; L573-F664 HydrophobicContact CB-CE1 3.82Å; P575-F664 HydrophobicContact CB-CD2 4.48Å; P575-F664 HydrophobicContact CB-CE2 3.81Å; P575-F664 HydrophobicContact CB-CZ 4.12Å; P575-F664 HydrophobicContact CG-CE2 3.74Å; P575-F664 HydrophobicContact CG-CZ 3.87Å; V661-F664 HydrophobicContact CG2-CD1 4.24Å; V661-F664 HydrophobicContact CG2-CE1 4.32Å |
| 665 | S | 52.3 | Low | 60.4 | Low | 112 Ų | 112 | 94 Ų | 94 | 78% | 0.783 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 9.8 | -172.2 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | G663 | G663-S665 PolarHBondContact O-N 3.04Š|
| 666 | Q | 43.6 | Very low | 57.9 | Low | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | trans | -103.3 | 121.1 | 176.9 | -73.2 | -173.9 | -11.8 | 0 | 0 | 112.5 | Y668 | Q666-Y668 HydrophobicContact CB-CD2 4.12Å; Q666-Y668 PolarHBondContact O-N 2.76Å | ||
| 667 | P | 43.1 | Very low | 55.7 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -82.3 | 80.5 | 177.4 | 33.9 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 668 | Y | 45.6 | Very low | 53.5 | Low | 196 Ų | 196 | 106.7 Ų | 106.7 | 77% | 0.769 | 62% | 0.62 | S | S | * | * | trans | -116.6 | 83.4 | 170.9 | -80.2 | -70.3 | 0 | 0 | 0 | 111.9 | Q666 | Q666-Y668 HydrophobicContact CB-CD2 4.12Å; Q666-Y668 PolarHBondContact O-N 2.76Å | ||
| 669 | L | 39.4 | Very low | 51.3 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -164.2 | 118 | 147.7 | -105.9 | 168.7 | 0 | 0 | 0 | 108.7 | L671 | L669-L671 PolarHBondContact O-N 2.99Š| ||
| 670 | P | 38.9 | Very low | 49.7 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 126.5 | 163.9 | 28.7 | -30.1 | 0 | 0 | 0 | 108.6 | ||
| 671 | L | 34.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 131.9 | 168.6 | -77.5 | 160.3 | 0 | 0 | 0 | 109 | L669 | L669-L671 PolarHBondContact O-N 2.99Š|
| 672 | P | 44.2 | Very low | 46.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.9 | 159.8 | -15.1 | 29.4 | 0 | 0 | 0 | 108.6 | A674 | P672-A674 PolarHBondContact O-N 2.9Š|
| 673 | E | 43.1 | Very low | 46.2 | Very low | 206 Ų | 206 | 121.6 Ų | 121.6 | 96% | 0.963 | 73% | 0.725 | S | S | * | * | trans | -68.1 | 79.2 | 168.3 | -73.9 | -178.5 | 126.7 | 0 | 0 | 109.9 | A675 | E673-A675 PolarHBondContact O-N 3.36Š| ||
| 674 | A | 40.7 | Very low | 46.2 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -71 | 115 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | P672 | P672-A674 PolarHBondContact O-N 2.9Š| ||
| 675 | A | 38.5 | Very low | 46.7 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -51.8 | 143.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E673 A677 | E673-A675 PolarHBondContact O-N 3.36Å; A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 3.48Å | ||
| 676 | A | 37 | Very low | 47.4 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -63.3 | 92 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q678 | A676-Q678 PolarHBondContact O-N 3.5Š| ||
| 677 | A | 41.5 | Very low | 48.9 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -61.4 | 123 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | A675 A679 | A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 3.48Å; A677-A679 PolarHBondContact O-N 3.04Å; A677-A679 VanDerWaalsContact O-N 3.08Å | ||
| 678 | Q | 42.1 | Very low | 50.6 | Low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -58.1 | 119 | 176.4 | -80.7 | 158.6 | -72.3 | 0 | 0 | 108.8 | A676 Q680 | A676-Q678 PolarHBondContact O-N 3.5Å; Q678-Q680 VanDerWaalsContact C-N 3.25Å; Q678-Q680 PolarHBondContact O-N 3.27Å | ||
| 679 | A | 40.4 | Very low | 52.1 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -66.7 | 90.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | A677 A681 | A677-A679 PolarHBondContact O-N 3.04Å; A677-A679 VanDerWaalsContact O-N 3.08Å; A679-A681 PolarHBondContact O-N 2.89Å | ||
| 680 | Q | 53.2 | Low | 53.9 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -60.9 | 103.9 | 163.6 | -149.6 | 94.4 | -4.6 | 0 | 0 | 105.7 | Q678 D682 | Q678-Q680 VanDerWaalsContact C-N 3.25Å; Q678-Q680 PolarHBondContact O-N 3.27Å; Q680-D682 PolarHBondContact O-N 3.1Å | ||
| 681 | A | 46.8 | Very low | 55.8 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | trans | -63.3 | 108.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A679 S683 | A679-A681 PolarHBondContact O-N 2.89Å; A681-S683 PolarHBondContact O-N 3.42Å | ||
| 682 | D | 57.5 | Low | 58.1 | Low | 98 Ų | 98 | 110 Ų | 110 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | trans | -65.9 | 122.3 | -177.3 | -171.1 | 7.2 | 0 | 0 | 0 | 109.4 | Q680 L684 T685 | Q680-D682 PolarHBondContact O-N 3.1Å; D682-L684 PolarHBondContact O-N 2.86Å; D682-L684 VanDerWaalsContact O-N 3.12Å; D682-T685 HydrophobicContact CB-CG2 4.38Å; D682-T685 PolarHBondContact O-N 3.36Å; D682-T685 PolarHBondContact O-OG1 3.33Å | ||
| 683 | S | 63 | Low | 59.8 | Low | 71 Ų | 71 | 107.5 Ų | 107.5 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -61.2 | -29.7 | -168.3 | 62.2 | 0 | 0 | 0 | 0 | 112 | A681 T685 V686 Y687 | A681-S683 PolarHBondContact O-N 3.42Å; S683-T685 VanDerWaalsContact C-N 3.32Å; S683-T685 PolarHBondContact O-N 3.03Å; S683-V686 PolarHBondContact O-N 2.82Å; S683-Y687 WeakPolarHBondContact O-CD2 3.41Å; S683-Y687 PolarHBondContact O-N 3.45Å |
| 684 | L | 64.1 | Low | 61.6 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.6 | -38.2 | 173.6 | -113.1 | 121 | 0 | 0 | 0 | 113.3 | D682 V686 Y687 L688 | D682-L684 PolarHBondContact O-N 2.86Å; D682-L684 VanDerWaalsContact O-N 3.12Å; L684-V686 VanDerWaalsContact C-N 3.33Å; L684-V686 PolarHBondContact O-N 3.4Å; L684-Y687 PolarHBondContact O-N 2.71Å; L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.46Å |
| 685 | T | 70.4 | Confident | 63.8 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.4 | -35.1 | 178.2 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | D682 S683 V689 | D682-T685 HydrophobicContact CB-CG2 4.38Å; D682-T685 PolarHBondContact O-N 3.36Å; D682-T685 PolarHBondContact O-OG1 3.33Å; S683-T685 VanDerWaalsContact C-N 3.32Å; S683-T685 PolarHBondContact O-N 3.03Å; T685-V689 WeakPolarHBondContact O-CB 3.34Å; T685-V689 VanDerWaalsContact O-CG2 3.29Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 3.49Å |
| 686 | V | 68.4 | Low | 65.9 | Low | 81 Ų | 81 | 99.4 Ų | 99.4 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.7 | -46.4 | 173.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | S683 L684 L688 V689 V690 | S683-V686 PolarHBondContact O-N 2.82Å; L684-V686 VanDerWaalsContact C-N 3.33Å; L684-V686 PolarHBondContact O-N 3.4Å; V686-L688 PolarHBondContact O-N 3.36Å; V686-V689 PolarHBondContact O-N 3.21Å; V686-V690 HydrophobicContact CG1-CG2 4.4Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.26Å; V686-V690 WeakPolarHBondContact O-CG2 3.48Å; V686-V690 PolarHBondContact O-N 3.4Å |
| 687 | Y | 75 | Confident | 68.1 | Low | 168 Ų | 168 | 97.9 Ų | 97.9 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 176.5 | -74.1 | -65 | 0 | 0 | 0 | 112.9 | S683 L684 V690 A691 | S683-Y687 WeakPolarHBondContact O-CD2 3.41Å; S683-Y687 PolarHBondContact O-N 3.45Å; L684-Y687 PolarHBondContact O-N 2.71Å; Y687-V690 PolarHBondContact O-N 2.88Å; Y687-A691 VanDerWaalsContact O-CB 3.3Å; Y687-A691 WeakPolarHBondContact O-CB 3.42Å; Y687-A691 PolarHBondContact O-N 2.77Å |
| 688 | L | 77.8 | Confident | 70.2 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 60% | 0.597 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.6 | -44.1 | 176 | -164.8 | 87.7 | 0 | 0 | 0 | 111.8 | L684 V686 A691 L692 | L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.46Å; V686-L688 PolarHBondContact O-N 3.36Å; L688-A691 PolarHBondContact O-N 3.03Å; L688-L692 WeakPolarHBondContact O-CB 3.31Å; L688-L692 PolarHBondContact O-N 2.77Å |
| 689 | V | 77.8 | Confident | 72.2 | Confident | 99 Ų | 99 | 97.5 Ų | 97.5 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | T685 V686 L692 A693 | T685-V689 WeakPolarHBondContact O-CB 3.34Å; T685-V689 VanDerWaalsContact O-CG2 3.29Å; T685-V689 WeakPolarHBondContact O-CG2 3.29Å; T685-V689 PolarHBondContact O-N 3.49Å; V686-V689 PolarHBondContact O-N 3.21Å; V689-L692 PolarHBondContact O-N 2.88Å; V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.46Å |
| 690 | V | 77.7 | Confident | 74.4 | Confident | 84 Ų | 84 | 98 Ų | 98 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -40.2 | 174.1 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | V686 Y687 S694 | V686-V690 HydrophobicContact CG1-CG2 4.4Å; V686-V690 WeakPolarHBondContact O-CB 3.4Å; V686-V690 VanDerWaalsContact O-CG2 3.26Å; V686-V690 WeakPolarHBondContact O-CG2 3.48Å; V686-V690 PolarHBondContact O-N 3.4Å; Y687-V690 PolarHBondContact O-N 2.88Å; V690-S694 VanDerWaalsContact O-CB 3.28Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.33Å; V690-S694 PolarHBondContact O-OG 2.94Å |
| 691 | A | 77.9 | Confident | 75.9 | Confident | 47 Ų | 47 | 94.3 Ų | 94.3 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y687 L688 A693 S694 V695 | Y687-A691 VanDerWaalsContact O-CB 3.3Å; Y687-A691 WeakPolarHBondContact O-CB 3.42Å; Y687-A691 PolarHBondContact O-N 2.77Å; L688-A691 PolarHBondContact O-N 3.03Å; A691-A693 VanDerWaalsContact C-N 3.35Å; A691-A693 PolarHBondContact O-N 2.99Å; A691-S694 WeakPolarHBondContact CA-OG 3.3Å; A691-S694 PolarHBondContact O-N 3.26Å; A691-S694 PolarHBondContact O-OG 3.12Å; A691-S694 VanDerWaalsContact O-OG 3.1Å; A691-V695 WeakPolarHBondContact O-CB 3.34Å; A691-V695 WeakPolarHBondContact O-CG2 3.12Å; A691-V695 PolarHBondContact O-N 3.35Å |
| 692 | L | 84.1 | Confident | 77.5 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 57% | 0.571 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 176.2 | -95.2 | 160.3 | 0 | 0 | 0 | 112.5 | L688 V689 S696 | L688-L692 WeakPolarHBondContact O-CB 3.31Å; L688-L692 PolarHBondContact O-N 2.77Å; V689-L692 PolarHBondContact O-N 2.88Å; L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 3.46Å; L692-S696 PolarHBondContact O-OG 3.32Å |
| 693 | A | 79.4 | Confident | 78.7 | Confident | 59 Ų | 59 | 92 Ų | 92 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V689 A691 S697 | V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.46Å; A691-A693 VanDerWaalsContact C-N 3.35Å; A691-A693 PolarHBondContact O-N 2.99Å; A693-S697 WeakPolarHBondContact O-CB 3.32Å; A693-S697 PolarHBondContact O-N 2.93Å |
| 694 | S | 80 | Confident | 79.8 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 38% | 0.378 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.1 | -37.5 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 113 | V690 A691 S697 L698 | V690-S694 VanDerWaalsContact O-CB 3.28Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.33Å; V690-S694 PolarHBondContact O-OG 2.94Å; A691-S694 WeakPolarHBondContact CA-OG 3.3Å; A691-S694 PolarHBondContact O-N 3.26Å; A691-S694 PolarHBondContact O-OG 3.12Å; A691-S694 VanDerWaalsContact O-OG 3.1Å; S694-S697 PolarHBondContact O-N 3.42Å; S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 WeakPolarHBondContact O-CG 3.17Å; S694-L698 PolarHBondContact O-N 3.28Å |
| 695 | V | 86.5 | Confident | 80.8 | Confident | 97 Ų | 97 | 92.7 Ų | 92.7 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 171.1 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | A691 S697 L698 F699 | A691-V695 WeakPolarHBondContact O-CB 3.34Å; A691-V695 WeakPolarHBondContact O-CG2 3.12Å; A691-V695 PolarHBondContact O-N 3.35Å; V695-S697 VanDerWaalsContact C-N 3.35Å; V695-S697 PolarHBondContact O-N 2.86Å; V695-L698 PolarHBondContact O-N 2.96Å; V695-F699 WeakPolarHBondContact O-CB 3.14Å; V695-F699 PolarHBondContact O-N 2.92Å |
| 696 | S | 83.7 | Confident | 81.2 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | L692 L700 | L692-S696 WeakPolarHBondContact O-CB 3.38Å; L692-S696 PolarHBondContact O-N 3.46Å; L692-S696 PolarHBondContact O-OG 3.32Å; S696-L700 VanDerWaalsContact O-CB 3.27Å; S696-L700 WeakPolarHBondContact O-CB 3.18Å; S696-L700 PolarHBondContact O-N 2.83Å |
| 697 | S | 82 | Confident | 81.8 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | A693 S694 V695 L700 L701 | A693-S697 WeakPolarHBondContact O-CB 3.32Å; A693-S697 PolarHBondContact O-N 2.93Å; S694-S697 PolarHBondContact O-N 3.42Å; V695-S697 VanDerWaalsContact C-N 3.35Å; V695-S697 PolarHBondContact O-N 2.86Å; S697-L700 PolarHBondContact O-N 3.39Å; S697-L701 WeakPolarHBondContact O-CB 3.15Å; S697-L701 PolarHBondContact O-N 2.78Å |
| 698 | L | 85.4 | Confident | 82 | Confident | 120 Ų | 120 | 88.5 Ų | 88.5 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 175.2 | -82.4 | 164.6 | 0 | 0 | 0 | 112.1 | S694 V695 S702 | S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 WeakPolarHBondContact O-CG 3.17Å; S694-L698 PolarHBondContact O-N 3.28Å; V695-L698 PolarHBondContact O-N 2.96Å; L698-S702 WeakPolarHBondContact O-CB 3.4Å; L698-S702 PolarHBondContact O-N 2.83Å; L698-S702 PolarHBondContact O-OG 2.88Å |
| 699 | F | 84.9 | Confident | 81.9 | Confident | 144 Ų | 144 | 86.5 Ų | 86.5 | 63% | 0.632 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -47.8 | 173.4 | -178.5 | -101.4 | 0 | 0 | 0 | 111.4 | V695 L701 S702 V703 | V695-F699 WeakPolarHBondContact O-CB 3.14Å; V695-F699 PolarHBondContact O-N 2.92Å; F699-L701 VanDerWaalsContact C-N 3.32Å; F699-L701 PolarHBondContact O-N 3.42Å; F699-S702 PolarHBondContact O-N 2.88Å; F699-S702 PolarHBondContact O-OG 2.69Å; F699-V703 HydrophobicContact CD1-CG2 4.44Å; F699-V703 HydrophobicContact CE1-CG2 4.08Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 4.08Å; F699-V703 WeakPolarHBondContact O-CG2 3.41Å; F699-V703 PolarHBondContact O-N 2.89Å |
| 700 | L | 85.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -35.1 | 179.7 | -164.5 | 138.4 | 0 | 0 | 0 | 112 | S696 S697 L704 | S696-L700 VanDerWaalsContact O-CB 3.27Å; S696-L700 WeakPolarHBondContact O-CB 3.18Å; S696-L700 PolarHBondContact O-N 2.83Å; S697-L700 PolarHBondContact O-N 3.39Å; L700-L704 HydrophobicContact CD2-CD1 3.65Å; L700-L704 HydrophobicContact CD2-CG 4.21Å; L700-L704 WeakPolarHBondContact O-CB 3.26Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.83Å |
| 701 | L | 85.5 | Confident | 81.3 | Confident | 102 Ų | 102 | 91.3 Ų | 91.3 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 174.9 | -166.7 | 138 | 0 | 0 | 0 | 111.9 | S697 F699 L704 L705 | S697-L701 WeakPolarHBondContact O-CB 3.15Å; S697-L701 PolarHBondContact O-N 2.78Å; F699-L701 VanDerWaalsContact C-N 3.32Å; F699-L701 PolarHBondContact O-N 3.42Å; L701-L704 PolarHBondContact O-N 2.84Å; L701-L705 WeakPolarHBondContact O-CB 3.49Å; L701-L705 PolarHBondContact O-N 3.25Å |
| 702 | S | 80.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 93 Ų | 93 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 173.6 | 77.6 | 0 | 0 | 0 | 0 | 111.9 | L698 F699 L705 F706 | L698-S702 WeakPolarHBondContact O-CB 3.4Å; L698-S702 PolarHBondContact O-N 2.83Å; L698-S702 PolarHBondContact O-OG 2.88Å; F699-S702 PolarHBondContact O-N 2.88Å; F699-S702 PolarHBondContact O-OG 2.69Å; S702-L705 PolarHBondContact O-N 2.86Å; S702-F706 VanDerWaalsContact O-CB 3.32Å; S702-F706 WeakPolarHBondContact O-CB 3.37Å; S702-F706 PolarHBondContact O-N 3.22Å |
| 703 | V | 83 | Confident | 79.7 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 40% | 0.4 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 172.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | F699 L705 F706 V707 | F699-V703 HydrophobicContact CD1-CG2 4.44Å; F699-V703 HydrophobicContact CE1-CG2 4.08Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 4.08Å; F699-V703 WeakPolarHBondContact O-CG2 3.41Å; F699-V703 PolarHBondContact O-N 2.89Å; V703-L705 VanDerWaalsContact C-N 3.34Å; V703-L705 PolarHBondContact O-N 3Å; V703-F706 PolarHBondContact O-N 3.28Å; V703-V707 WeakPolarHBondContact O-CB 3.28Å; V703-V707 VanDerWaalsContact O-CG2 3.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.49Å; V703-V707 PolarHBondContact O-N 3.08Å |
| 704 | L | 85.7 | Confident | 78.5 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 175.4 | -76.7 | 175.6 | 0 | 0 | 0 | 112.1 | L700 L701 V707 A708 | L700-L704 HydrophobicContact CD2-CD1 3.65Å; L700-L704 HydrophobicContact CD2-CG 4.21Å; L700-L704 WeakPolarHBondContact O-CB 3.26Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.47Å; L700-L704 PolarHBondContact O-N 2.83Å; L701-L704 PolarHBondContact O-N 2.84Å; L704-V707 PolarHBondContact O-N 3.47Å; L704-A708 VanDerWaalsContact O-CB 3.25Å; L704-A708 WeakPolarHBondContact O-CB 3.31Å; L704-A708 PolarHBondContact O-N 2.94Å |
| 705 | L | 84 | Confident | 77.2 | Confident | 105 Ų | 105 | 107.1 Ų | 107.1 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.5 | -39 | 177.4 | -162.9 | 152.7 | 0 | 0 | 0 | 110.9 | L701 S702 V703 A708 V709 | L701-L705 WeakPolarHBondContact O-CB 3.49Å; L701-L705 PolarHBondContact O-N 3.25Å; S702-L705 PolarHBondContact O-N 2.86Å; V703-L705 VanDerWaalsContact C-N 3.34Å; V703-L705 PolarHBondContact O-N 3Å; L705-A708 PolarHBondContact O-N 2.95Å; L705-V709 HydrophobicContact CD2-CG2 4Å; L705-V709 WeakPolarHBondContact O-CB 3.32Å; L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.26Å; L705-V709 PolarHBondContact O-N 2.83Å |
| 706 | F | 79.9 | Confident | 75.4 | Confident | 125 Ų | 125 | 113.6 Ų | 113.6 | 55% | 0.548 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 171.5 | -177.7 | -98.3 | 0 | 0 | 0 | 112.3 | S702 V703 R710 | S702-F706 VanDerWaalsContact O-CB 3.32Å; S702-F706 WeakPolarHBondContact O-CB 3.37Å; S702-F706 PolarHBondContact O-N 3.22Å; V703-F706 PolarHBondContact O-N 3.28Å; F706-R710 PolarHBondContact O-N 3.39Å |
| 707 | V | 80.9 | Confident | 73.5 | Confident | 67 Ų | 67 | 114.5 Ų | 114.5 | 41% | 0.406 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -43.7 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 111 | V703 L704 R710 L711 | V703-V707 WeakPolarHBondContact O-CB 3.28Å; V703-V707 VanDerWaalsContact O-CG2 3.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.49Å; V703-V707 PolarHBondContact O-N 3.08Å; L704-V707 PolarHBondContact O-N 3.47Å; V707-R710 PolarHBondContact O-N 2.79Å; V707-L711 HydrophobicContact CG1-CD1 3.77Å; V707-L711 HydrophobicContact CG1-CG 4.33Å; V707-L711 WeakPolarHBondContact O-CB 3.25Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.28Å; V707-L711 PolarHBondContact O-N 2.87Å |
| 708 | A | 78.6 | Confident | 71.5 | Confident | 47 Ų | 47 | 115.8 Ų | 115.8 | 39% | 0.388 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.9 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L704 L705 R710 L711 C712 | L704-A708 VanDerWaalsContact O-CB 3.25Å; L704-A708 WeakPolarHBondContact O-CB 3.31Å; L704-A708 PolarHBondContact O-N 2.94Å; L705-A708 PolarHBondContact O-N 2.95Å; A708-R710 VanDerWaalsContact C-N 3.34Å; A708-R710 PolarHBondContact O-N 3.39Å; A708-L711 PolarHBondContact O-N 3.45Å; A708-C712 VanDerWaalsContact O-CB 3.29Å; A708-C712 WeakPolarHBondContact O-CB 3.37Å; A708-C712 PolarHBondContact O-N 2.84Å; A708-C712 PolarHBondContact O-SG 3.47Å; A708-C712 VanDerWaalsContact O-SG 3.36Å |
| 709 | V | 77.4 | Confident | 69.3 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 44% | 0.442 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.5 | -40.1 | 173.8 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | L705 R713 | L705-V709 HydrophobicContact CD2-CG2 4Å; L705-V709 WeakPolarHBondContact O-CB 3.32Å; L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.26Å; L705-V709 PolarHBondContact O-N 2.83Å; V709-R713 VanDerWaalsContact O-CB 3.32Å; V709-R713 WeakPolarHBondContact O-CB 3.19Å; V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.12Å |
| 710 | R | 71.1 | Confident | 67 | Low | 176 Ų | 176 | 115.5 Ų | 115.5 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.2 | -40 | 173.1 | -92.9 | -166.5 | 167.5 | -159.4 | -1.9 | 112.9 | F706 V707 A708 R714 | F706-R710 PolarHBondContact O-N 3.39Å; V707-R710 PolarHBondContact O-N 2.79Å; A708-R710 VanDerWaalsContact C-N 3.34Å; A708-R710 PolarHBondContact O-N 3.39Å; R710-R714 WeakPolarHBondContact O-CB 3.29Å; R710-R714 PolarHBondContact O-N 3.15Å; R710-R714 VanDerWaalsContact O-N 3.15Å |
| 711 | L | 71.5 | Confident | 64.3 | Low | 108 Ų | 108 | 113.4 Ų | 113.4 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.5 | -42.2 | 179.4 | -70.6 | 170.3 | 0 | 0 | 0 | 112 | V707 A708 R713 R714 S715 | V707-L711 HydrophobicContact CG1-CD1 3.77Å; V707-L711 HydrophobicContact CG1-CG 4.33Å; V707-L711 WeakPolarHBondContact O-CB 3.25Å; V707-L711 VanDerWaalsContact O-CG 3.31Å; V707-L711 WeakPolarHBondContact O-CG 3.28Å; V707-L711 PolarHBondContact O-N 2.87Å; A708-L711 PolarHBondContact O-N 3.45Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3Å; L711-R714 WeakPolarHBondContact O-CA 3.49Å; L711-R714 PolarHBondContact O-N 3.4Å; L711-S715 PolarHBondContact O-N 3.48Å; L711-S715 VanDerWaalsContact O-N 3.12Å; L711-S715 PolarHBondContact O-OG 2.81Å |
| 712 | C | 67.8 | Low | 61.9 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.9 | -32.2 | 173.3 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | A708 R714 S715 | A708-C712 VanDerWaalsContact O-CB 3.29Å; A708-C712 WeakPolarHBondContact O-CB 3.37Å; A708-C712 PolarHBondContact O-N 2.84Å; A708-C712 PolarHBondContact O-SG 3.47Å; A708-C712 VanDerWaalsContact O-SG 3.36Å; C712-R714 VanDerWaalsContact C-N 3.28Å; C712-S715 PolarHBondContact O-OG 3.36Å |
| 713 | R | 60.3 | Low | 59.4 | Low | 202 Ų | 202 | 122.2 Ų | 122.2 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.5 | -23.9 | 168.5 | -86.3 | -177.7 | 133.4 | 172.1 | -4.7 | 113 | V709 L711 | V709-R713 VanDerWaalsContact O-CB 3.32Å; V709-R713 WeakPolarHBondContact O-CB 3.19Å; V709-R713 WeakPolarHBondContact O-CG 3.49Å; V709-R713 PolarHBondContact O-N 3.12Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3Å |
| 714 | R | 55 | Low | 57 | Low | 219 Ų | 219 | 123.6 Ų | 123.6 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.6 | -19.1 | -179.5 | -140.6 | 173.4 | -172.9 | -179.5 | 1 | 113.9 | R710 L711 C712 | R710-R714 WeakPolarHBondContact O-CB 3.29Å; R710-R714 PolarHBondContact O-N 3.15Å; R710-R714 VanDerWaalsContact O-N 3.15Å; L711-R714 WeakPolarHBondContact O-CA 3.49Å; L711-R714 PolarHBondContact O-N 3.4Å; C712-R714 VanDerWaalsContact C-N 3.28Å |
| 715 | S | 51.4 | Low | 54.4 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -95.8 | -9.2 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | L711 C712 | L711-S715 PolarHBondContact O-N 3.48Å; L711-S715 VanDerWaalsContact O-N 3.12Å; L711-S715 PolarHBondContact O-OG 2.81Å; C712-S715 PolarHBondContact O-OG 3.36Å |
| 716 | R | 48.8 | Very low | 52.5 | Low | 233 Ų | 233 | 124.6 Ų | 124.6 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -101.5 | 7.8 | -177.4 | -106.3 | -178.4 | 175.8 | -174.5 | -1.2 | 115.9 | ||
| 717 | A | 44.6 | Very low | 50.3 | Low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -105.4 | 53 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 718 | A | 40.3 | Very low | 47.9 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -153.8 | 55 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 719 | S | 37.6 | Very low | 46.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -163.8 | 126.1 | 157 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 720 | V | 36.6 | Very low | 44 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -17.1 | 144 | 158.4 | -169 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 721 | G | 29.8 | Very low | 42.5 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 154.7 | 147.8 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 722 | R | 34.4 | Very low | 40.5 | Very low | 245 Ų | 245 | 133.9 Ų | 133.9 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | 63.4 | 137.5 | 173.3 | -77.9 | -176.2 | 163.9 | 163.6 | -4.3 | 117.3 | ||||
| 723 | C | 29.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | cis | -160 | 174.7 | 8.2 | -102 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 724 | S | 32.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | cis | -171.8 | 126.6 | -18.9 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 725 | V | 31.3 | Very low | 36.2 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | 34.2 | 138.1 | 118.3 | -174.3 | 0 | 0 | 0 | 0 | 118.9 | E727 | V725-E727 HydrophobicContact CG1-CG 4.37Š| |||
| 726 | P | 44 | Very low | 35.1 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | cis | -129.2 | 147.5 | 42.3 | 13.4 | 13.6 | 0 | 0 | 0 | 118 | ||||
| 727 | E | 33.6 | Very low | 34.2 | Very low | 190 Ų | 190 | 129.7 Ų | 129.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | 68.8 | 134.8 | 88.5 | -61 | -176.2 | 134.5 | 0 | 0 | 115.5 | V725 | V725-E727 HydrophobicContact CG1-CG 4.37Š| |||
| 728 | G | 31 | Very low | 33.4 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | cis | -174.6 | -159.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 729 | P | 45.4 | Very low | 33 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | cis | -129.8 | -169.8 | -8.8 | 42.7 | -24.5 | 0 | 0 | 0 | 115 | ||||
| 730 | F | 28.9 | Very low | 32.7 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -87.4 | 174.7 | -175 | -75.5 | -98 | 0 | 0 | 0 | 115.4 | ||||
| 731 | P | 38.5 | Very low | 32.4 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | -135.6 | 163.9 | 100.8 | 39.9 | -31.8 | 0 | 0 | 0 | 114.8 | |||||
| 732 | G | 28.9 | Very low | 32.4 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -177 | 147.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 733 | H | 31.4 | Very low | 32.3 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -166.4 | 141.8 | 130.7 | -141.1 | -72.2 | 0 | 0 | 0 | 109.6 | ||||
| 734 | L | 30.3 | Very low | 32.2 | Very low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -122.2 | 146.7 | 169.3 | -139 | 147.8 | 0 | 0 | 0 | 107.2 | ||||
| 735 | V | 31.9 | Very low | 32 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -97.3 | 142.6 | -172.4 | 176 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 736 | D | 27.8 | Very low | 31.7 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 143.2 | 179.4 | -179.3 | 26.9 | 0 | 0 | 0 | 112.1 | ||||
| 737 | V | 29.3 | Very low | 31 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -142.8 | 127.4 | 165.8 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 738 | S | 29.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -127.1 | 160.8 | 172.9 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 739 | G | 32.4 | Very low | 30.6 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 102.2 | 103 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 740 | T | 31.2 | Very low | 29.7 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | -66 | 148 | 165.6 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 741 | G | 30.1 | Very low | 30 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 169.1 | 89.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 742 | T | 29.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 95% | 0.945 | 82% | 0.82 | S | S | * | * | trans | 71.1 | 157.2 | 146.8 | 58.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 743 | L | 31 | Very low | 29.8 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -85.1 | 148.8 | -166.7 | -67.1 | 143.4 | 0 | 0 | 0 | 114.7 | ||||
| 744 | S | 28.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | -166.1 | 143.3 | 126.7 | 50.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 745 | Q | 28 | Very low | 29.6 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -82.3 | 145.7 | 167 | -66.5 | 175.5 | -30.3 | 0 | 0 | 109.4 | ||||
| 746 | S | 25.5 | Very low | 29.5 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | 175.5 | 148 | 109.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 747 | Y | 28.8 | Very low | 29.7 | Very low | 210 Ų | 210 | 140.6 Ų | 140.6 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | trans | -34.1 | 143.2 | 170.7 | -53 | -96 | 0 | 0 | 0 | 117.3 | ||||
| 748 | Q | 23.3 | Very low | 29.8 | Very low | 195 Ų | 195 | 137 Ų | 137 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | -163.3 | 156.9 | 106.4 | -109.9 | 173.8 | -33 | 0 | 0 | 113.1 | |||||
| 749 | Y | 32.5 | Very low | 30.2 | Very low | 208 Ų | 208 | 138.9 Ų | 138.9 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | trans | -75.5 | 151.4 | 175.7 | -81.6 | -110.8 | 0 | 0 | 0 | 111 | ||||
| 750 | E | 27 | Very low | 30.1 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -145.7 | 131.6 | 136.1 | -140 | 167.7 | -151.8 | 0 | 0 | 111.7 | ||||
| 751 | V | 34.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 65% | 0.648 | 83% | 0.83 | S | S | * | * | trans | -102.4 | 131.9 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 752 | C | 29.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 90% | 0.899 | 84% | 0.838 | S | S | * | * | trans | -139.6 | 141.7 | 156.7 | -101.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 753 | L | 34.1 | Very low | 30.3 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | -113 | 166.3 | -165.8 | -100 | 164.4 | 0 | 0 | 0 | 112 | ||||
| 754 | M | 28.3 | Very low | 30.4 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | trans | 85.5 | 137.9 | 153.3 | -78 | -172.6 | -171.2 | 0 | 0 | 121.9 | ||||
| 755 | G | 29.9 | Very low | 30.5 | Very low | 84 Ų | 84 | 155.9 Ų | 155.9 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | trans | 103.9 | 111.3 | 156 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 756 | G | 30 | Very low | 30.6 | Very low | 71 Ų | 71 | 156.4 Ų | 156.4 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | cis | 145.7 | 133.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 757 | S | 32.3 | Very low | 31 | Very low | 138 Ų | 138 | 157 Ų | 157 | 97% | 0.965 | 84% | 0.837 | S | S | * | * | trans | 69.1 | 133.9 | 167.5 | -163.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 758 | G | 31.3 | Very low | 31.2 | Very low | 60 Ų | 60 | 154.8 Ų | 154.8 | 62% | 0.619 | 84% | 0.838 | S | S | * | * | trans | 149.4 | 87 | 154 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 759 | T | 36.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | 50.7 | 107.4 | 149.7 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 760 | N | 31.1 | Very low | 32.2 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -96 | 122.1 | 155.3 | -92 | -16.6 | 0 | 0 | 0 | 109.8 | ||||
| 761 | E | 32.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -125.3 | 122.7 | 159.6 | -77.2 | -167.7 | 163.5 | 0 | 0 | 109.8 | ||||
| 762 | F | 31.1 | Very low | 32.4 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | -79.5 | 125.8 | 178.6 | -79.9 | -100.3 | 0 | 0 | 0 | 110.7 | ||||
| 763 | K | 31.4 | Very low | 32.9 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -100.6 | 115.9 | 167.1 | -80.5 | -176.3 | 174.8 | 176.7 | 0 | 111 | ||||
| 764 | F | 33.6 | Very low | 33.7 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 89% | 0.886 | 83% | 0.828 | S | S | * | * | trans | -70.1 | 141.8 | 164.4 | -89.3 | -95.5 | 0 | 0 | 0 | 110.9 | ||||
| 765 | L | 28.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | trans | -82.2 | 137 | 168.4 | -70 | 161.3 | 0 | 0 | 0 | 109.7 | ||||
| 766 | K | 31.9 | Very low | 33.8 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -115.5 | 146.5 | 160.2 | -100.5 | -171.3 | 174.6 | -176.5 | 0 | 109.1 | ||||
| 767 | P | 33.4 | Very low | 33.8 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 154.9 | -174.6 | 31.5 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 768 | I | 32.9 | Very low | 33.7 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 128 | -179.8 | -64.3 | 169.7 | 0 | 0 | 0 | 109.3 | ||
| 769 | I | 38.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 160.5 Ų | 160.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 133.7 | 164.7 | -61.4 | 173.6 | 0 | 0 | 0 | 107.3 | ||
| 770 | P | 38.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 162.4 Ų | 162.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75 | 140.8 | -179.6 | 30.6 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 771 | N | 31.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 162.8 Ų | 162.8 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -130.9 | 135.4 | -179.7 | -146.7 | 10.4 | 0 | 0 | 0 | 108.9 | ||||
| 772 | F | 32.9 | Very low | 33.1 | Very low | 198 Ų | 198 | 162 Ų | 162 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -148.6 | 156.2 | 172.7 | -92.4 | -54.3 | 0 | 0 | 0 | 109.4 | ||||
| 773 | P | 41.3 | Very low | 33 | Very low | 111 Ų | 111 | 162 Ų | 162 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | -118.8 | 173.2 | -115.3 | 40.4 | -30.3 | 0 | 0 | 0 | 114.8 | |||||
| 774 | P | 49.2 | Very low | 33.2 | Very low | 125 Ų | 125 | 158.7 Ų | 158.7 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -97.9 | 139.9 | -174.6 | 36.4 | -33.2 | 0 | 0 | 0 | 115.2 | ||||
| 775 | Q | 30.6 | Very low | 33.9 | Very low | 205 Ų | 205 | 155 Ų | 155 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -168.5 | 141.7 | 156.8 | -102.9 | 175.6 | -7.6 | 0 | 0 | 105.6 | ||||
| 776 | G | 29.7 | Very low | 33.9 | Very low | 63 Ų | 63 | 151.7 Ų | 151.7 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | cis | 152.1 | 152.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 777 | T | 31.2 | Very low | 34.1 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 79.8 | 114 | 163.5 | 8.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 778 | E | 30.2 | Very low | 34.8 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 56.1 | 116.4 | 130.7 | -70.1 | 175.9 | 176.9 | 0 | 0 | 124.5 | ||||
| 779 | R | 29.6 | Very low | 34.7 | Very low | 224 Ų | 224 | 148.5 Ų | 148.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | 168.8 | 126.9 | 105.4 | -89.2 | -178.9 | 177.8 | 171.5 | -1 | 109.6 | |||||
| 780 | E | 29.7 | Very low | 34.5 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | 69.6 | 100.4 | 68.4 | -100 | -170.2 | 172.7 | 0 | 0 | 116.6 | |||||
| 781 | M | 28.8 | Very low | 34.5 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | 168.4 | 119.5 | 133.7 | -90.9 | -176.9 | 73.8 | 0 | 0 | 107.1 | ||||
| 782 | E | 30.1 | Very low | 35.4 | Very low | 169 Ų | 169 | 148.8 Ų | 148.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | 56.5 | 128.4 | 92.2 | -70.4 | -173.2 | 140.9 | 0 | 0 | 113 | |||||
| 783 | E | 29.4 | Very low | 35.7 | Very low | 189 Ų | 189 | 148.7 Ų | 148.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | cis | -137.9 | 167.3 | 42.1 | -69.1 | 179.3 | 136.9 | 0 | 0 | 117.1 | ||||
| 784 | T | 35 | Very low | 35.6 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -58.4 | 171.6 | -171.1 | 32.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 785 | P | 48.6 | Very low | 34.9 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | trans | -103.2 | 169.5 | -176.6 | 41.2 | -35.9 | 0 | 0 | 0 | 115.5 | ||||
| 786 | A | 29.2 | Very low | 35.1 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -155.9 | 136.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 787 | L | 35.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -107.6 | 172.6 | 155.3 | -90.1 | 158.6 | 0 | 0 | 0 | 107.1 | ||||
| 788 | P | 47.8 | Very low | 35.6 | Very low | 96 Ų | 96 | 157.9 Ų | 157.9 | 62% | 0.623 | 85% | 0.845 | S | S | * | * | cis | -136.3 | -166.9 | 1 | 40.4 | -20.8 | 0 | 0 | 0 | 115.3 | ||||
| 789 | N | 32.5 | Very low | 36 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 81% | 0.813 | 85% | 0.848 | S | S | * | * | trans | 70.3 | 131.4 | 162.5 | -60.6 | -13.3 | 0 | 0 | 0 | 117.5 | ||||
| 790 | S | 32.3 | Very low | 36.4 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 78% | 0.776 | 85% | 0.849 | S | S | * | * | 179.4 | 159.9 | 52.7 | 44.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 791 | F | 40.3 | Very low | 36.9 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | trans | -56.8 | 150.6 | 161.3 | -78.2 | -94.7 | 0 | 0 | 0 | 111.8 | ||||
| 792 | P | 50.5 | Low | 37.5 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | -149.2 | 173.1 | 88.4 | 39.5 | -21.5 | 0 | 0 | 0 | 117.2 | |||||
| 793 | F | 38.2 | Very low | 38.1 | Very low | 197 Ų | 197 | 148.4 Ų | 148.4 | 86% | 0.864 | 86% | 0.858 | S | S | * | * | trans | -47.5 | 140.7 | 174 | -69.9 | -101.7 | 0 | 0 | 0 | 116.5 | ||||
| 794 | S | 38.8 | Very low | 38.9 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 100% | 1.357 | 86% | 0.856 | S | S | * | * | -156.9 | 0 | 116.2 | -73.3 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 794 of 794 residues in 142.4 ms
(Link to these results)