| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.5 | Very low | 59.5 | Low | 223 Ų | 223 | 118.4 Ų | 118.4 | 100% | 1.099 | 63% | 0.625 | S | S | * | * | 0 | 112.4 | 0 | -66.3 | -165.5 | -136.9 | 0 | 0 | 108 | |||||
| 2 | A | 53.2 | Low | 59.8 | Low | 49 Ų | 49 | 114 Ų | 114 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | trans | -71.3 | 131.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 3 | T | 54.8 | Low | 60.1 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 121.5 | 179.6 | -46.9 | 0 | 0 | 0 | 0 | 108.1 | I14 | T3-I14 PolarHBondContact N-O 3.02Å |
| 4 | T | 57.2 | Low | 60.8 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 39% | 0.393 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.4 | 179 | -46.7 | 0 | 0 | 0 | 0 | 109.3 | Q11 Y13 | T4-Q11 HydrophobicContact CG2-CB 4.33Å; T4-Q11 HydrophobicContact CG2-CG 4.14Å; T4-Y13 HydrophobicContact CG2-CE1 4.1Å; T4-Y13 HydrophobicContact CG2-CE2 4.5Å; T4-Y13 VanDerWaalsContact OG1-CE1 3.26Å; T4-Y13 WeakPolarHBondContact OG1-CE1 3.26Å |
| 5 | I | 63 | Low | 61.4 | Low | 86 Ų | 86 | 110.6 Ų | 110.6 | 44% | 0.441 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 128 | 176.8 | -53.6 | -177.8 | 0 | 0 | 0 | 108.4 | V12 I14 | I5-V12 PolarHBondContact N-O 3.2Å; I5-V12 PolarHBondContact O-N 3.01Å; I5-I14 HydrophobicContact CD1-CD1 4.21Å |
| 6 | S | 54.4 | Low | 61.8 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.3 | 175 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 7 | T | 68.3 | Low | 61.8 | Low | 61 Ų | 61 | 114.5 Ų | 114.5 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 165.9 | 174.7 | 84.5 | 0 | 0 | 0 | 0 | 110.6 | R9 G10 V12 | T7-R9 PolarHBondContact O-N 3.37Å; T7-R9 PolarHBondContact OG1-N 2.97Å; T7-R9 VanDerWaalsContact OG1-N 3.12Å; T7-G10 PolarHBondContact N-O 3.3Å; T7-G10 PolarHBondContact O-N 3.12Å; T7-G10 PolarHBondContact OG1-O 3.02Å; T7-V12 HydrophobicContact CG2-CB 4.4Å; T7-V12 HydrophobicContact CG2-CG2 3.76Å |
| 8 | Q | 62.7 | Low | 62.3 | Low | 211 Ų | 211 | 111.5 Ų | 111.5 | 99% | 0.986 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -14.7 | 173.3 | -78.6 | -173 | 12.3 | 0 | 0 | 114.1 | ||
| 9 | R | 62.5 | Low | 62.7 | Low | 247 Ų | 247 | 114.5 Ų | 114.5 | 93% | 0.932 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 8 | 177.2 | -65.1 | -168.4 | 178 | -158.5 | 0.5 | 114 | T7 | T7-R9 PolarHBondContact O-N 3.37Å; T7-R9 PolarHBondContact OG1-N 2.97Å; T7-R9 VanDerWaalsContact OG1-N 3.12Å |
| 10 | G | 66.4 | Low | 62.7 | Low | 35 Ų | 35 | 114.2 Ų | 114.2 | 36% | 0.361 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 119.3 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T7 | T7-G10 PolarHBondContact N-O 3.3Å; T7-G10 PolarHBondContact O-N 3.12Å; T7-G10 PolarHBondContact OG1-O 3.02Å |
| 11 | Q | 63.1 | Low | 62.8 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.6 | 175.4 | -81.9 | -177 | -23.6 | 0 | 0 | 110.7 | T4 | T4-Q11 HydrophobicContact CG2-CB 4.33Å; T4-Q11 HydrophobicContact CG2-CG 4.14Å |
| 12 | V | 62.2 | Low | 63.7 | Low | 66 Ų | 66 | 110.6 Ų | 110.6 | 40% | 0.4 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 127 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 108 | I5 T7 I14 | I5-V12 PolarHBondContact N-O 3.2Å; I5-V12 PolarHBondContact O-N 3.01Å; T7-V12 HydrophobicContact CG2-CB 4.4Å; T7-V12 HydrophobicContact CG2-CG2 3.76Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å |
| 13 | Y | 64.5 | Low | 64.5 | Low | 130 Ų | 130 | 116.2 Ų | 116.2 | 51% | 0.51 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.5 | 174.5 | -75.3 | -89.9 | 0 | 0 | 0 | 109 | T4 | T4-Y13 HydrophobicContact CG2-CE1 4.1Å; T4-Y13 HydrophobicContact CG2-CE2 4.5Å; T4-Y13 VanDerWaalsContact OG1-CE1 3.26Å; T4-Y13 WeakPolarHBondContact OG1-CE1 3.26Å |
| 14 | I | 69.1 | Low | 65.2 | Low | 104 Ų | 104 | 119.3 Ų | 119.3 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.1 | 176.8 | -53.3 | -177.9 | 0 | 0 | 0 | 107.4 | T3 I5 V12 | T3-I14 PolarHBondContact N-O 3.02Å; I5-I14 HydrophobicContact CD1-CD1 4.21Å; V12-I14 HydrophobicContact CG1-CG1 4.17Å |
| 15 | G | 69.9 | Low | 65.8 | Low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 144.3 | -171.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 | G15-L17 PolarHBondContact O-N 3Š|
| 16 | E | 68.1 | Low | 66 | Low | 176 Ų | 176 | 118.2 Ų | 118.2 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -59.7 | 129.7 | 171.6 | -70.1 | -173.6 | 156.8 | 0 | 0 | 110.4 | ||
| 17 | L | 62.3 | Low | 67.2 | Low | 112 Ų | 112 | 117 Ų | 117 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 129 | -179.9 | -162.1 | 71 | 0 | 0 | 0 | 109.4 | G15 Q19 F21 | G15-L17 PolarHBondContact O-N 3Å; L17-Q19 PolarHBondContact O-N 2.95Å; L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.49Å; L17-F21 VanDerWaalsContact CD1-CD1 3.49Å; L17-F21 HydrophobicContact CD1-CD2 3.57Å; L17-F21 HydrophobicContact CD1-CE1 3.76Å; L17-F21 HydrophobicContact CD1-CE2 3.84Å; L17-F21 HydrophobicContact CD1-CG 3.38Å; L17-F21 HydrophobicContact CD1-CZ 3.92Å; L17-F21 HydrophobicContact CD2-CB 3.78Å; L17-F21 HydrophobicContact CD2-CD1 3.66Å; L17-F21 HydrophobicContact CD2-CE1 4.45Å; L17-F21 HydrophobicContact CD2-CG 3.89Å; L17-F21 HydrophobicContact CG-CB 3.49Å; L17-F21 VanDerWaalsContact CG-CB 3.49Å; L17-F21 HydrophobicContact CG-CD1 3.8Å; L17-F21 HydrophobicContact CG-CD2 4.13Å; L17-F21 HydrophobicContact CG-CG 3.56Å |
| 18 | P | 70.5 | Confident | 67.5 | Low | 60 Ų | 60 | 122.5 Ų | 122.5 | 39% | 0.39 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 140.9 | 174.8 | -26.3 | 34.3 | 0 | 0 | 0 | 110.7 | D20 F21 | P18-D20 PolarHBondContact O-N 3.43Å; P18-F21 VanDerWaalsContact O-CB 3.3Å; P18-F21 WeakPolarHBondContact O-CB 3.3Å; P18-F21 PolarHBondContact O-N 2.94Å |
| 19 | Q | 69.1 | Low | 68.2 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -18.2 | -179.3 | -66.2 | -176.4 | 8 | 0 | 0 | 112.8 | L17 R23 | L17-Q19 PolarHBondContact O-N 2.95Å; Q19-R23 PolarHBondContact O-NE 3.26Å; Q19-R23 PolarHBondContact O-NH1 3.26Å |
| 20 | D | 64.1 | Low | 69 | Low | 108 Ų | 108 | 112.7 Ų | 112.7 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 13.5 | -179.9 | -53.5 | -45.7 | 0 | 0 | 0 | 113.9 | P18 L22 R23 | P18-D20 PolarHBondContact O-N 3.43Å; D20-L22 PolarHBondContact O-N 3.25Å; D20-R23 HydrophobicContact CB-CB 4.41Å; D20-R23 PolarHBondContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 2.67Å; D20-R23 PolarHBondContact OD1-NH1 3.31Å; D20-R23 VanDerWaalsContact OD1-NH1 3.08Å |
| 21 | F | 63.9 | Low | 69.8 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 46% | 0.456 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.5 | 124 | 175.1 | -162.5 | -95.5 | 0 | 0 | 0 | 110.1 | L17 P18 R23 | L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.49Å; L17-F21 VanDerWaalsContact CD1-CD1 3.49Å; L17-F21 HydrophobicContact CD1-CD2 3.57Å; L17-F21 HydrophobicContact CD1-CE1 3.76Å; L17-F21 HydrophobicContact CD1-CE2 3.84Å; L17-F21 HydrophobicContact CD1-CG 3.38Å; L17-F21 HydrophobicContact CD1-CZ 3.92Å; L17-F21 HydrophobicContact CD2-CB 3.78Å; L17-F21 HydrophobicContact CD2-CD1 3.66Å; L17-F21 HydrophobicContact CD2-CE1 4.45Å; L17-F21 HydrophobicContact CD2-CG 3.89Å; L17-F21 HydrophobicContact CG-CB 3.49Å; L17-F21 VanDerWaalsContact CG-CB 3.49Å; L17-F21 HydrophobicContact CG-CD1 3.8Å; L17-F21 HydrophobicContact CG-CD2 4.13Å; L17-F21 HydrophobicContact CG-CG 3.56Å; P18-F21 VanDerWaalsContact O-CB 3.3Å; P18-F21 WeakPolarHBondContact O-CB 3.3Å; P18-F21 PolarHBondContact O-N 2.94Å; F21-R23 PolarHBondContact O-N 3.05Å |
| 22 | L | 67.9 | Low | 70.6 | Confident | 159 Ų | 159 | 112.3 Ų | 112.3 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 6 | -171.5 | -54.9 | 174.2 | 0 | 0 | 0 | 116.3 | D20 I24 | D20-L22 PolarHBondContact O-N 3.25Å; L22-I24 PolarHBondContact O-N 3.24Å |
| 23 | R | 70.1 | Confident | 71.7 | Confident | 166 Ų | 166 | 113.4 Ų | 113.4 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | -78.6 | 116.9 | 170.5 | -66.6 | -169.3 | -179.3 | 161.5 | -5.5 | 109.3 | Q19 D20 F21 A25 | Q19-R23 PolarHBondContact O-NE 3.26Å; Q19-R23 PolarHBondContact O-NH1 3.26Å; D20-R23 HydrophobicContact CB-CB 4.41Å; D20-R23 PolarHBondContact O-N 3.08Å; D20-R23 IonicContact OD1-CZ 3.03Å; D20-R23 IonicContact OD1-NH1 2.67Å; D20-R23 PolarHBondContact OD1-NH1 3.31Å; D20-R23 VanDerWaalsContact OD1-NH1 3.08Å; F21-R23 PolarHBondContact O-N 3.05Å; R23-A25 PolarHBondContact O-N 2.91Å | ||
| 24 | I | 69.4 | Low | 72.6 | Confident | 156 Ų | 156 | 113.3 Ų | 113.3 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | trans | -73.1 | 99 | 168.8 | -56 | 174 | 0 | 0 | 0 | 106 | L22 | L22-I24 PolarHBondContact O-N 3.24Š| ||
| 25 | A | 70.6 | Confident | 73.2 | Confident | 78 Ų | 78 | 113.1 Ų | 113.1 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 127.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | R23 T27 | R23-A25 PolarHBondContact O-N 2.91Å; A25-T27 PolarHBondContact O-N 3.21Å |
| 26 | P | 67.1 | Low | 73.8 | Confident | 49 Ų | 49 | 112.6 Ų | 112.6 | 32% | 0.318 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 137 | 178.6 | 21.9 | -30.5 | 0 | 0 | 0 | 108.8 | Q30 Q31 | P26-Q30 HydrophobicContact CB-CB 3.94Å; P26-Q31 HydrophobicContact CB-CG 3.93Å; P26-Q31 HydrophobicContact CG-CG 3.66Å |
| 27 | T | 79.4 | Confident | 74.6 | Confident | 74 Ų | 74 | 106.7 Ų | 106.7 | 45% | 0.454 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 156.9 | 176 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | A25 Q29 Q30 Q31 | A25-T27 PolarHBondContact O-N 3.21Å; T27-Q29 PolarHBondContact O-N 3.4Å; T27-Q29 VanDerWaalsContact O-N 3.09Å; T27-Q30 WeakPolarHBondContact O-CA 3.19Å; T27-Q30 PolarHBondContact O-N 3.01Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.29Å; T27-Q30 PolarHBondContact OG1-N 3.31Å; T27-Q31 PolarHBondContact O-N 3.47Å |
| 28 | Q | 74.9 | Confident | 75.6 | Confident | 177 Ų | 177 | 105.4 Ų | 105.4 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -51.5 | -37.2 | 174.9 | -72 | -170.2 | 10.6 | 0 | 0 | 111.6 | Q31 Q32 | Q28-Q31 PolarHBondContact O-N 3.45Å; Q28-Q32 WeakPolarHBondContact O-CB 3.34Å; Q28-Q32 PolarHBondContact O-N 2.85Å |
| 29 | Q | 77.1 | Confident | 76.1 | Confident | 153 Ų | 153 | 103 Ų | 103 | 72% | 0.715 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 175.9 | -165.6 | 174.1 | 6.7 | 0 | 0 | 112.6 | T27 Q32 V33 | T27-Q29 PolarHBondContact O-N 3.4Å; T27-Q29 VanDerWaalsContact O-N 3.09Å; Q29-Q32 PolarHBondContact O-N 3.05Å; Q29-V33 VanDerWaalsContact O-CG2 3.25Å; Q29-V33 WeakPolarHBondContact O-CG2 3.36Å; Q29-V33 PolarHBondContact O-N 3.05Å |
| 30 | Q | 79.9 | Confident | 76.7 | Confident | 100 Ų | 100 | 97.2 Ų | 97.2 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 176.4 | -76.2 | 172.3 | -14.3 | 0 | 0 | 112.6 | P26 T27 Q32 V33 Q34 | P26-Q30 HydrophobicContact CB-CB 3.94Å; T27-Q30 WeakPolarHBondContact O-CA 3.19Å; T27-Q30 PolarHBondContact O-N 3.01Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.29Å; T27-Q30 PolarHBondContact OG1-N 3.31Å; Q30-Q32 VanDerWaalsContact C-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.88Å; Q30-V33 PolarHBondContact O-N 3.04Å; Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.35Å |
| 31 | Q | 82.7 | Confident | 77.6 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.3 | -74 | -177.8 | -14.4 | 0 | 0 | 111.2 | P26 T27 Q28 V33 Q34 L35 | P26-Q31 HydrophobicContact CB-CG 3.93Å; P26-Q31 HydrophobicContact CG-CG 3.66Å; T27-Q31 PolarHBondContact O-N 3.47Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q31-V33 PolarHBondContact O-N 3.23Å; Q31-Q34 PolarHBondContact O-N 3.33Å; Q31-L35 PolarHBondContact O-N 3.36Å |
| 32 | Q | 81 | Confident | 78.4 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 29% | 0.294 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176.2 | -171.5 | 72.2 | 54 | 0 | 0 | 111.4 | Q28 Q29 Q30 Q34 L35 D36 G82 | Q28-Q32 WeakPolarHBondContact O-CB 3.34Å; Q28-Q32 PolarHBondContact O-N 2.85Å; Q29-Q32 PolarHBondContact O-N 3.05Å; Q30-Q32 VanDerWaalsContact C-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.88Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.39Å; Q32-L35 CarbonylContact O-C 3.49Å; Q32-L35 WeakPolarHBondContact O-CA 3.05Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 PolarHBondContact O-N 3.34Å; Q32-D36 PolarHBondContact NE2-OD1 3.48Å; Q32-D36 PolarHBondContact O-N 3.26Å; Q32-G82 PolarHBondContact NE2-O 2.82Å |
| 33 | V | 83.8 | Confident | 79 | Confident | 90 Ų | 90 | 97.2 Ų | 97.2 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | Q29 Q30 Q31 D36 A37 | Q29-V33 VanDerWaalsContact O-CG2 3.25Å; Q29-V33 WeakPolarHBondContact O-CG2 3.36Å; Q29-V33 PolarHBondContact O-N 3.05Å; Q30-V33 PolarHBondContact O-N 3.04Å; Q31-V33 PolarHBondContact O-N 3.23Å; V33-D36 PolarHBondContact O-N 2.86Å; V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.48Å; V33-A37 PolarHBondContact O-N 2.91Å |
| 34 | Q | 83.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 96.5 Ų | 96.5 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67 | -37.8 | 174.3 | -69.7 | 175.2 | 7.6 | 0 | 0 | 111.9 | Q30 Q31 Q32 H38 | Q30-Q34 WeakPolarHBondContact O-CG 3.4Å; Q30-Q34 PolarHBondContact O-N 3.35Å; Q31-Q34 PolarHBondContact O-N 3.33Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.39Å; Q34-H38 PolarHBondContact O-N 2.87Å; Q34-H38 VanDerWaalsContact O-N 3.17Å; Q34-H38 PolarHBondContact O-ND1 3.46Å |
| 35 | L | 81.5 | Confident | 79.6 | Confident | 101 Ų | 101 | 98.8 Ų | 98.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.8 | -106.6 | 101.8 | 0 | 0 | 0 | 111.8 | Q31 Q32 A37 H38 T39 | Q31-L35 PolarHBondContact O-N 3.36Å; Q32-L35 CarbonylContact O-C 3.49Å; Q32-L35 WeakPolarHBondContact O-CA 3.05Å; Q32-L35 WeakPolarHBondContact O-CB 3.2Å; Q32-L35 PolarHBondContact O-N 3.34Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.94Å; L35-H38 VanDerWaalsContact C-CE1 3.5Å; L35-H38 VanDerWaalsContact C-ND1 3.27Å; L35-H38 VanDerWaalsContact CA-CE1 3.43Å; L35-H38 WeakPolarHBondContact CA-CE1 3.47Å; L35-H38 WeakPolarHBondContact CA-ND1 3.16Å; L35-H38 PolarHBondContact O-CE1 3.19Å; L35-H38 PolarHBondContact O-ND1 2.95Å; L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.95Å |
| 36 | D | 83.3 | Confident | 79.2 | Confident | 45 Ų | 45 | 98.4 Ų | 98.4 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 180 | -60.2 | -11.8 | 0 | 0 | 0 | 110.2 | Q32 V33 H38 T39 A40 Y83 | Q32-D36 PolarHBondContact NE2-OD1 3.48Å; Q32-D36 PolarHBondContact O-N 3.26Å; V33-D36 PolarHBondContact O-N 2.86Å; D36-H38 PolarHBondContact O-N 2.74Å; D36-T39 PolarHBondContact O-N 2.82Å; D36-A40 WeakPolarHBondContact O-CB 3.18Å; D36-A40 PolarHBondContact O-N 3.44Å; D36-Y83 WeakPolarHBondContact OD1-CA 3.21Å |
| 37 | A | 83.5 | Confident | 78.9 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V33 L35 R41 | V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.48Å; V33-A37 PolarHBondContact O-N 2.91Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.94Å; A37-R41 PolarHBondContact O-N 3.5Å |
| 38 | H | 84.2 | Confident | 78 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 40% | 0.398 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 177.1 | 82.6 | -89.2 | 0 | 0 | 0 | 111.6 | Q34 L35 D36 R41 Q42 | Q34-H38 PolarHBondContact O-N 2.87Å; Q34-H38 VanDerWaalsContact O-N 3.17Å; Q34-H38 PolarHBondContact O-ND1 3.46Å; L35-H38 VanDerWaalsContact C-CE1 3.5Å; L35-H38 VanDerWaalsContact C-ND1 3.27Å; L35-H38 VanDerWaalsContact CA-CE1 3.43Å; L35-H38 WeakPolarHBondContact CA-CE1 3.47Å; L35-H38 WeakPolarHBondContact CA-ND1 3.16Å; L35-H38 PolarHBondContact O-CE1 3.19Å; L35-H38 PolarHBondContact O-ND1 2.95Å; D36-H38 PolarHBondContact O-N 2.74Å; H38-R41 PolarHBondContact O-N 2.96Å; H38-Q42 PolarHBondContact O-N 2.92Å |
| 39 | T | 80.6 | Confident | 77.6 | Confident | 10 Ų | 10 | 91.9 Ų | 91.9 | 6% | 0.061 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 179.6 | -60 | 0 | 0 | 0 | 0 | 111.1 | L35 D36 R41 Q42 L43 V49 Y83 | L35-T39 PolarHBondContact O-N 2.97Å; L35-T39 PolarHBondContact O-OG1 2.95Å; D36-T39 PolarHBondContact O-N 2.82Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.86Å; T39-Q42 PolarHBondContact O-N 3.24Å; T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 PolarHBondContact O-N 3.36Å; T39-V49 HydrophobicContact CG2-CG2 4.43Å; T39-Y83 HydrophobicContact CG2-CD1 3.68Å; T39-Y83 HydrophobicContact CG2-CD2 3.52Å; T39-Y83 HydrophobicContact CG2-CE1 3.81Å; T39-Y83 HydrophobicContact CG2-CE2 3.68Å; T39-Y83 HydrophobicContact CG2-CG 3.55Å |
| 40 | A | 81.7 | Confident | 77.5 | Confident | 45 Ų | 45 | 89 Ų | 89 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.5 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D36 Q42 L43 Q44 | D36-A40 WeakPolarHBondContact O-CB 3.18Å; D36-A40 PolarHBondContact O-N 3.44Å; A40-Q42 PolarHBondContact O-N 3.07Å; A40-L43 PolarHBondContact O-N 2.98Å; A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 2.99Å |
| 41 | R | 83.8 | Confident | 77.7 | Confident | 178 Ų | 178 | 86.4 Ų | 86.4 | 67% | 0.672 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 174.5 | -75.9 | -174.9 | 177.9 | -178.9 | 0 | 112.4 | A37 H38 T39 Q44 Y45 | A37-R41 PolarHBondContact O-N 3.5Å; H38-R41 PolarHBondContact O-N 2.96Å; T39-R41 VanDerWaalsContact C-N 3.29Å; T39-R41 PolarHBondContact O-N 2.86Å; R41-Q44 PolarHBondContact O-N 2.93Å; R41-Y45 WeakPolarHBondContact O-CD2 3.46Å; R41-Y45 PolarHBondContact O-N 3.34Å |
| 42 | Q | 81.2 | Confident | 78 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 48% | 0.477 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 178.6 | -69.6 | -177.5 | 27.1 | 0 | 0 | 112.2 | H38 T39 A40 Q44 Y45 G47 | H38-Q42 PolarHBondContact O-N 2.92Å; T39-Q42 PolarHBondContact O-N 3.24Å; A40-Q42 PolarHBondContact O-N 3.07Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.28Å; Q42-Y45 PolarHBondContact O-N 3.48Å; Q42-G47 WeakPolarHBondContact O-CA 3.3Å; Q42-G47 PolarHBondContact O-N 3.49Å |
| 43 | L | 78.6 | Confident | 78.4 | Confident | 92 Ų | 92 | 80.8 Ų | 80.8 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 176.7 | -77 | 167.7 | 0 | 0 | 0 | 112.5 | T39 A40 Y45 G46 V49 Y83 | T39-L43 HydrophobicContact CG2-CD1 4.18Å; T39-L43 PolarHBondContact O-N 3.36Å; A40-L43 PolarHBondContact O-N 2.98Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.89Å; L43-G46 PolarHBondContact O-N 3.09Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å; L43-V49 HydrophobicContact CD2-CG2 3.32Å; L43-V49 HydrophobicContact CG-CG2 3.61Å; L43-Y83 HydrophobicContact CD1-CE2 4.15Å |
| 44 | Q | 78.4 | Confident | 78.9 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.4 | -33.5 | 178.4 | -76.1 | 176.8 | -34 | 0 | 0 | 113.2 | A40 R41 Q42 G46 | A40-Q44 WeakPolarHBondContact O-CG 3.45Å; A40-Q44 PolarHBondContact O-N 2.99Å; R41-Q44 PolarHBondContact O-N 2.93Å; Q42-Q44 VanDerWaalsContact C-N 3.33Å; Q42-Q44 PolarHBondContact O-N 3.28Å; Q44-G46 VanDerWaalsContact C-N 3.34Å |
| 45 | Y | 73.9 | Confident | 79.5 | Confident | 204 Ų | 204 | 75.4 Ų | 75.4 | 80% | 0.8 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 21.3 | 179.5 | -65.2 | -69 | 0 | 0 | 0 | 113.7 | R41 Q42 L43 G47 | R41-Y45 WeakPolarHBondContact O-CD2 3.46Å; R41-Y45 PolarHBondContact O-N 3.34Å; Q42-Y45 PolarHBondContact O-N 3.48Å; L43-Y45 VanDerWaalsContact C-N 3.34Å; L43-Y45 PolarHBondContact O-N 2.89Å; Y45-G47 PolarHBondContact O-N 3.3Å |
| 46 | G | 62.3 | Low | 80.3 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L43 Q44 S48 | L43-G46 PolarHBondContact O-N 3.09Å; Q44-G46 VanDerWaalsContact C-N 3.34Å; G46-S48 PolarHBondContact O-N 2.95Å |
| 47 | G | 61.4 | Low | 81 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 130.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q42 Y45 V49 | Q42-G47 WeakPolarHBondContact O-CA 3.3Å; Q42-G47 PolarHBondContact O-N 3.49Å; Y45-G47 PolarHBondContact O-N 3.3Å; G47-V49 PolarHBondContact O-N 2.82Å |
| 48 | S | 60.7 | Low | 81.7 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 118.6 | 170.9 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | G46 N50 | G46-S48 PolarHBondContact O-N 2.95Å; S48-N50 PolarHBondContact O-N 2.68Å |
| 49 | V | 66.1 | Low | 82.4 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 121.7 | 170.9 | -171 | 0 | 0 | 0 | 0 | 108.4 | T39 L43 G47 T51 Y83 | T39-V49 HydrophobicContact CG2-CG2 4.43Å; L43-V49 HydrophobicContact CD1-CG2 4.23Å; L43-V49 HydrophobicContact CD2-CG2 3.32Å; L43-V49 HydrophobicContact CG-CG2 3.61Å; G47-V49 PolarHBondContact O-N 2.82Å; V49-T51 PolarHBondContact O-N 3.35Å; V49-Y83 HydrophobicContact CG1-CE1 3.78Å; V49-Y83 WeakPolarHBondContact CG1-OH 3.43Å |
| 50 | N | 75.9 | Confident | 83.3 | Confident | 93 Ų | 93 | 65 Ų | 65 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 126.9 | 172.9 | -67.8 | -45.8 | 0 | 0 | 0 | 108.3 | S48 P110 M180 | S48-N50 PolarHBondContact O-N 2.68Å; N50-P110 HydrophobicContact CB-CG 4.04Å; N50-P110 WeakPolarHBondContact O-CD 3.25Å; N50-M180 WeakPolarHBondContact OD1-CE 3.31Å |
| 51 | T | 83.7 | Confident | 84.1 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | trans | -133.8 | 142.8 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | V49 G53 T107 V108 L175 | V49-T51 PolarHBondContact O-N 3.35Å; T51-G53 PolarHBondContact OG1-N 3.34Å; T51-G53 PolarHBondContact OG1-O 3.16Å; T51-T107 HydrophobicContact CG2-CG2 3.77Å; T51-T107 WeakPolarHBondContact OG1-CG2 3.43Å; T51-V108 CarbonylContact C-O 3.56Å; T51-V108 WeakPolarHBondContact CA-O 3.38Å; T51-V108 PolarHBondContact OG1-N 3.03Å; T51-V108 PolarHBondContact OG1-O 3.47Å; T51-L175 HydrophobicContact CG2-CD1 3.8Å | ||
| 52 | V | 88.1 | Confident | 84.8 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.3 | -12.2 | 176.1 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | V108 P110 F172 | V52-V108 HydrophobicContact CG2-CB 3.94Å; V52-V108 HydrophobicContact CG2-CG1 3.86Å; V52-V108 WeakPolarHBondContact CG2-O 3.23Å; V52-V108 PolarHBondContact N-O 2.98Å; V52-P110 HydrophobicContact CG1-CB 4.16Å; V52-P110 HydrophobicContact CG1-CG 4.09Å; V52-F172 HydrophobicContact CG2-CZ 4.33Å |
| 53 | G | 91.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -169.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T51 V108 A173 | T51-G53 PolarHBondContact OG1-N 3.34Å; T51-G53 PolarHBondContact OG1-O 3.16Å; G53-V108 PolarHBondContact O-N 3.5Å; G53-A173 CarbonylContact C-O 3.57Å; G53-A173 VanDerWaalsContact CA-O 3.31Å; G53-A173 WeakPolarHBondContact CA-O 3.34Å |
| 54 | R | 93.6 | Very high | 86.5 | Confident | 103 Ų | 103 | 52.7 Ų | 52.7 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.9 | 178.6 | -172.2 | 176.9 | -63.6 | 179.9 | 10 | 110 | Q105 C106 F172 A173 | R54-Q105 HydrophobicContact CG-CB 4.38Å; R54-C106 CarbonylContact C-O 3.44Å; R54-C106 VanDerWaalsContact CA-O 3.32Å; R54-C106 WeakPolarHBondContact CA-O 3.49Å; R54-F172 WeakPolarHBondContact O-CA 3.27Å; R54-A173 PolarHBondContact N-O 2.82Å; R54-A173 PolarHBondContact O-N 2.99Å |
| 55 | L | 96.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.7 | 170.9 | 179.5 | 68.2 | 0 | 0 | 0 | 108.3 | I57 C106 V108 F115 I138 L142 M170 F172 | L55-I57 HydrophobicContact CD2-CD1 3.74Å; L55-I57 HydrophobicContact CD2-CG1 3.81Å; L55-I57 HydrophobicContact CG-CD1 4.26Å; L55-I57 HydrophobicContact CG-CG1 3.78Å; L55-C106 HydrophobicContact CB-CB 4.39Å; L55-C106 PolarHBondContact N-O 2.77Å; L55-C106 PolarHBondContact O-N 2.85Å; L55-V108 HydrophobicContact CB-CG2 3.52Å; L55-F115 HydrophobicContact CD2-CD1 4.37Å; L55-F115 HydrophobicContact CD2-CE1 4.45Å; L55-I138 HydrophobicContact CD1-CG2 4.36Å; L55-I138 HydrophobicContact CD2-CD1 3.84Å; L55-I138 HydrophobicContact CD2-CG1 4.06Å; L55-L142 HydrophobicContact CD1-CD1 3.96Å; L55-M170 HydrophobicContact CD1-CB 4.49Å; L55-F172 HydrophobicContact CB-CD2 4.19Å; L55-F172 HydrophobicContact CD1-CB 4.42Å; L55-F172 HydrophobicContact CD1-CD2 4.43Å |
| 56 | S | 97.6 | Very high | 88.4 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.9 | 170.2 | -57.5 | 0 | 0 | 0 | 0 | 108.4 | I104 M170 S171 | S56-I104 WeakPolarHBondContact CA-O 3.41Å; S56-M170 VanDerWaalsContact O-CA 3.32Å; S56-M170 WeakPolarHBondContact O-CA 3.42Å; S56-S171 PolarHBondContact N-O 3.21Å; S56-S171 PolarHBondContact O-N 2.73Å |
| 57 | I | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.8 | 177.3 | -51.9 | 175.1 | 0 | 0 | 0 | 107.7 | L55 V59 I79 I104 F115 L168 M170 | L55-I57 HydrophobicContact CD2-CD1 3.74Å; L55-I57 HydrophobicContact CD2-CG1 3.81Å; L55-I57 HydrophobicContact CG-CD1 4.26Å; L55-I57 HydrophobicContact CG-CG1 3.78Å; I57-V59 HydrophobicContact CG2-CG2 4.38Å; I57-I79 HydrophobicContact CB-CD1 4.39Å; I57-I79 HydrophobicContact CD1-CD1 4.13Å; I57-I79 HydrophobicContact CD1-CG2 4.13Å; I57-I79 HydrophobicContact CG2-CD1 3.98Å; I57-I104 PolarHBondContact N-O 3.33Å; I57-I104 PolarHBondContact O-N 3.34Å; I57-F115 HydrophobicContact CD1-CD1 4.15Å; I57-F115 HydrophobicContact CD1-CD2 4.37Å; I57-F115 HydrophobicContact CD1-CE1 3.94Å; I57-F115 HydrophobicContact CD1-CE2 4.16Å; I57-F115 HydrophobicContact CD1-CG 4.35Å; I57-F115 HydrophobicContact CD1-CZ 3.93Å; I57-L168 HydrophobicContact CG2-CD2 4.39Å; I57-M170 HydrophobicContact CG1-CG 4.47Å; I57-M170 HydrophobicContact CG2-CG 4.33Å |
| 58 | T | 98.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.7 | 170.4 | -47.5 | 0 | 0 | 0 | 0 | 108.6 | V60 K102 V103 L168 V169 | T58-V60 HydrophobicContact CG2-CG2 4.06Å; T58-V60 PolarHBondContact O-N 2.8Å; T58-K102 CarbonylContact C-O 3.57Å; T58-K102 WeakPolarHBondContact CA-O 3.36Å; T58-V103 HydrophobicContact CG2-CG2 4.04Å; T58-L168 WeakPolarHBondContact O-CA 3.28Å; T58-V169 WeakPolarHBondContact CB-O 3.02Å; T58-V169 PolarHBondContact N-O 2.86Å; T58-V169 PolarHBondContact O-N 3.18Å; T58-V169 PolarHBondContact OG1-O 2.96Å |
| 59 | V | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 101.6 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | I57 C77 I79 T88 W100 N101 K102 I104 I166 L168 | I57-V59 HydrophobicContact CG2-CG2 4.38Å; V59-C77 HydrophobicContact CG1-CB 4.25Å; V59-I79 HydrophobicContact CG2-CD1 3.9Å; V59-T88 HydrophobicContact CB-CG2 3.95Å; V59-T88 HydrophobicContact CG1-CG2 4.22Å; V59-T88 HydrophobicContact CG2-CG2 3.94Å; V59-W100 HydrophobicContact CG1-CD2 4.2Å; V59-W100 HydrophobicContact CG1-CE3 3.69Å; V59-W100 HydrophobicContact CG1-CZ3 4.19Å; V59-N101 WeakPolarHBondContact O-CA 3.08Å; V59-N101 PolarHBondContact O-N 3.2Å; V59-K102 PolarHBondContact N-O 3.03Å; V59-K102 PolarHBondContact O-N 3.04Å; V59-I104 HydrophobicContact CG2-CD1 4.32Å; V59-I166 HydrophobicContact CG1-CD1 4.01Å; V59-L168 HydrophobicContact CB-CD2 4.42Å; V59-L168 HydrophobicContact CG1-CD2 4.31Å; V59-L168 HydrophobicContact CG2-CD2 4.18Å |
| 60 | V | 98.7 | Very high | 93 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 13% | 0.127 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -67.1 | -172.3 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | T58 W100 N101 N167 V169 | T58-V60 HydrophobicContact CG2-CG2 4.06Å; T58-V60 PolarHBondContact O-N 2.8Å; V60-W100 PolarHBondContact O-N 3.49Å; V60-N101 PolarHBondContact O-N 2.74Å; V60-N101 VanDerWaalsContact O-N 3.14Å; V60-N167 HydrophobicContact CB-CB 4.33Å; V60-N167 VanDerWaalsContact CB-OD1 3.3Å; V60-N167 WeakPolarHBondContact CB-OD1 3.26Å; V60-N167 WeakPolarHBondContact CG1-OD1 3.13Å; V60-N167 WeakPolarHBondContact CG2-OD1 3.4Å; V60-N167 PolarHBondContact N-O 3.45Å; V60-N167 VanDerWaalsContact N-O 3.13Å; V60-V169 HydrophobicContact CG2-CG2 3.83Å |
| 61 | Q | 98.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 163.1 | -172.9 | 62.7 | -174.8 | -31.2 | 0 | 0 | 111.1 | P98 R99 W151 N167 | Q61-P98 VanDerWaalsContact CA-O 3.28Å; Q61-P98 WeakPolarHBondContact CA-O 3.1Å; Q61-P98 WeakPolarHBondContact CB-O 3.37Å; Q61-R99 HydrophobicContact CB-CB 4.47Å; Q61-R99 HydrophobicContact CB-CG 3.9Å; Q61-W151 HydrophobicContact CG-CH2 3.72Å; Q61-W151 HydrophobicContact CG-CZ2 4.25Å; Q61-W151 HydrophobicContact CG-CZ3 4.5Å; Q61-N167 HydrophobicContact CG-CB 4.13Å; Q61-N167 PolarHBondContact O-N 2.94Å |
| 62 | A | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L64 N97 P98 W100 I119 M165 I166 | A62-L64 HydrophobicContact CB-CD2 4.21Å; A62-L64 HydrophobicContact CB-CG 4.5Å; A62-N97 WeakPolarHBondContact O-CA 3.49Å; A62-P98 HydrophobicContact CB-CG 4.02Å; A62-P98 PolarHBondContact N-O 2.8Å; A62-W100 HydrophobicContact CB-CH2 3.9Å; A62-W100 HydrophobicContact CB-CZ3 3.78Å; A62-I119 HydrophobicContact CB-CD1 4.21Å; A62-M165 CarbonylContact C-O 3.56Å; A62-M165 WeakPolarHBondContact CA-O 3.12Å; A62-I166 HydrophobicContact CB-CB 4.29Å; A62-I166 HydrophobicContact CB-CG1 4.2Å |
| 63 | K | 98.4 | Very high | 94.2 | Very high | 103 Ų | 103 | 50 Ų | 50 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 98.9 | 168.4 | -70.2 | 178.3 | 179.3 | 171.3 | 0 | 107.4 | K96 W151 G164 M165 | K63-K96 CarbonylContact C-O 3.59Å; K63-K96 WeakPolarHBondContact CA-O 3.43Å; K63-W151 HydrophobicContact CB-CZ3 4.4Å; K63-W151 HydrophobicContact CD-CH2 3.96Å; K63-W151 HydrophobicContact CD-CZ3 4.22Å; K63-W151 HydrophobicContact CG-CH2 3.97Å; K63-W151 HydrophobicContact CG-CZ3 4.06Å; K63-G164 CarbonylContact O-C 3.55Å; K63-G164 WeakPolarHBondContact O-CA 3.32Å; K63-M165 PolarHBondContact N-O 2.97Å; K63-M165 PolarHBondContact O-N 3.21Å |
| 64 | L | 98 | Very high | 94.4 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.3 | -176.8 | -55 | 175.7 | 0 | 0 | 0 | 110.9 | A62 M73 K96 P98 I119 I131 A132 L154 E163 | A62-L64 HydrophobicContact CB-CD2 4.21Å; A62-L64 HydrophobicContact CB-CG 4.5Å; L64-M73 HydrophobicContact CD1-CE 3.74Å; L64-K96 PolarHBondContact N-O 3.05Å; L64-P98 HydrophobicContact CD1-CG 4.49Å; L64-I119 HydrophobicContact CD2-CD1 4Å; L64-I131 HydrophobicContact CD1-CD1 3.62Å; L64-A132 HydrophobicContact CD2-CB 4.34Å; L64-L154 HydrophobicContact CD2-CD1 3.71Å; L64-E163 WeakPolarHBondContact CA-O 3.43Å |
| 65 | A | 96.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -67.4 | -37.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K162 E163 | A65-K162 VanDerWaalsContact CB-O 3.24Å; A65-K162 WeakPolarHBondContact CB-O 3.22Å; A65-E163 PolarHBondContact N-O 3.18Å |
| 66 | K | 94.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | trans | -134.8 | 151.7 | -170.8 | -169.8 | 165.5 | 176.5 | -178.3 | 0 | 112.3 | Y68 M73 | K66-Y68 HydrophobicContact CB-CE1 4.43Å; K66-Y68 HydrophobicContact CB-CE2 4.02Å; K66-Y68 HydrophobicContact CD-CD1 4.31Å; K66-Y68 HydrophobicContact CD-CE1 3.66Å; K66-Y68 HydrophobicContact CG-CD1 4.44Å; K66-Y68 HydrophobicContact CG-CE1 4.1Å; K66-Y68 HydrophobicContact CG-CE2 4.45Å; K66-M73 WeakPolarHBondContact O-CE 3.36Å | ||
| 67 | N | 92.9 | Very high | 94.8 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | trans | -97.6 | 117.9 | 167.1 | -175.2 | 15.5 | 0 | 0 | 0 | 108.3 | G69 T71 M73 K96 | N67-G69 PolarHBondContact OD1-N 3.46Å; N67-T71 PolarHBondContact ND2-O 2.99Å; N67-M73 HydrophobicContact CB-CE 4.49Å; N67-M73 WeakPolarHBondContact OD1-CG 3.18Å; N67-K96 HydrophobicContact CB-CG 4.16Å | ||
| 68 | Y | 89.6 | Confident | 94.8 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 15% | 0.153 | 25% | 0.254 | C | S | . | . | trans | -98.7 | -14.1 | 178.7 | -65.2 | -74.8 | 0 | 0 | 0 | 113.4 | K66 M73 I131 R157 Q158 E163 | K66-Y68 HydrophobicContact CB-CE1 4.43Å; K66-Y68 HydrophobicContact CB-CE2 4.02Å; K66-Y68 HydrophobicContact CD-CD1 4.31Å; K66-Y68 HydrophobicContact CD-CE1 3.66Å; K66-Y68 HydrophobicContact CG-CD1 4.44Å; K66-Y68 HydrophobicContact CG-CE1 4.1Å; K66-Y68 HydrophobicContact CG-CE2 4.45Å; Y68-M73 HydrophobicContact CD2-SD 4.17Å; Y68-M73 PolarHBondContact N-SD 3.24Å; Y68-I131 HydrophobicContact CD2-CB 3.9Å; Y68-I131 HydrophobicContact CD2-CG2 3.76Å; Y68-I131 HydrophobicContact CE2-CB 4.3Å; Y68-I131 HydrophobicContact CG-CG2 4.31Å; Y68-R157 HydrophobicContact CE1-CB 4.44Å; Y68-Q158 WeakPolarHBondContact OH-CG 3.41Å; Y68-E163 WeakPolarHBondContact CE2-OE1 3.42Å; Y68-E163 VanDerWaalsContact CZ-OE1 3.25Å; Y68-E163 PolarHBondContact OH-OE1 2.9Å; Y68-E163 PolarHBondContact OH-OE2 2.79Å; Y68-E163 VanDerWaalsContact OH-OE2 3.06Å | ||
| 69 | G | 83.6 | Confident | 94.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68.8 | 151.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N67 T71 | N67-G69 PolarHBondContact OD1-N 3.46Å; G69-T71 PolarHBondContact O-N 2.98Å |
| 70 | M | 80.3 | Confident | 94.7 | Very high | 202 Ų | 202 | 53.2 Ų | 53.2 | 100% | 0.995 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65 | -33.4 | 171.2 | -168.6 | 169.7 | -173.3 | 0 | 0 | 111.1 | ||
| 71 | T | 86.5 | Confident | 94.5 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 69% | 0.693 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -109.9 | -128 | 170 | 56 | 0 | 0 | 0 | 0 | 109.4 | N67 G69 | N67-T71 PolarHBondContact ND2-O 2.99Å; G69-T71 PolarHBondContact O-N 2.98Å |
| 72 | R | 91.7 | Very high | 94.1 | Very high | 139 Ų | 139 | 51.4 Ų | 51.4 | 53% | 0.525 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -94.3 | 136 | 170.7 | -75 | -179.7 | 167.4 | -160.3 | 11 | 107.6 | N93 A95 | R72-N93 WeakPolarHBondContact CB-OD1 3.41Å; R72-N93 WeakPolarHBondContact CD-OD1 3.44Å; R72-N93 PolarHBondContact NH1-ND2 3.32Å; R72-A95 HydrophobicContact CB-CB 3.95Å; R72-A95 HydrophobicContact CG-CB 3.88Å |
| 73 | M | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | trans | -65.1 | 151.8 | 173.7 | -70.3 | 171.3 | -42.3 | 0 | 0 | 111.4 | L64 K66 N67 Y68 P75 G94 A95 D121 I131 | L64-M73 HydrophobicContact CD1-CE 3.74Å; K66-M73 WeakPolarHBondContact O-CE 3.36Å; N67-M73 HydrophobicContact CB-CE 4.49Å; N67-M73 WeakPolarHBondContact OD1-CG 3.18Å; Y68-M73 HydrophobicContact CD2-SD 4.17Å; Y68-M73 PolarHBondContact N-SD 3.24Å; M73-P75 WeakPolarHBondContact O-CD 3.4Å; M73-G94 PolarHBondContact O-N 3.05Å; M73-A95 WeakPolarHBondContact CE-O 3.35Å; M73-A95 PolarHBondContact O-N 3.49Å; M73-D121 WeakPolarHBondContact CA-OD1 3.19Å; M73-D121 HydrophobicContact CB-CB 4.47Å; M73-D121 WeakPolarHBondContact CB-OD1 3.49Å; M73-D121 HydrophobicContact CG-CB 4.26Å; M73-D121 WeakPolarHBondContact CG-OD1 3.19Å; M73-I131 HydrophobicContact CE-CD1 4.1Å; M73-I131 HydrophobicContact SD-CD1 3.87Å; M73-I131 HydrophobicContact SD-CG2 4.19Å | ||
| 74 | D | 96.8 | Very high | 93 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | trans | -114.5 | 75.9 | 174.1 | -69.5 | -38.7 | 0 | 0 | 0 | 108.6 | T90 H92 N93 D121 E122 | D74-T90 HydrophobicContact CB-CG2 3.67Å; D74-T90 VanDerWaalsContact O-CG2 3.28Å; D74-T90 WeakPolarHBondContact O-CG2 3.46Å; D74-H92 VanDerWaalsContact OD1-CA 3.32Å; D74-H92 WeakPolarHBondContact OD1-CA 3.36Å; D74-N93 PolarHBondContact OD1-N 2.92Å; D74-D121 PolarHBondContact N-OD1 2.86Å; D74-E122 HydrophobicContact CB-CB 4.38Å; D74-E122 PolarHBondContact O-N 3.47Å | ||
| 75 | P | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 145.5 | -168.4 | 33.2 | -38.9 | 0 | 0 | 0 | 114 | M73 A91 P98 W100 I119 F120 I131 | M73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-A91 WeakPolarHBondContact CD-O 3.34Å; P75-A91 HydrophobicContact CG-CB 4.42Å; P75-A91 WeakPolarHBondContact O-CB 3.4Å; P75-A91 PolarHBondContact O-N 2.95Å; P75-P98 HydrophobicContact CB-CB 4.45Å; P75-P98 HydrophobicContact CB-CG 4.41Å; P75-P98 HydrophobicContact CG-CB 3.29Å; P75-P98 HydrophobicContact CG-CG 3.57Å; P75-W100 HydrophobicContact CB-CZ2 4.08Å; P75-W100 HydrophobicContact CG-CZ2 4.11Å; P75-W100 PolarHBondContact O-NE1 3.28Å; P75-I119 HydrophobicContact CB-CG2 3.91Å; P75-F120 CarbonylContact C-O 3.51Å; P75-F120 WeakPolarHBondContact CA-O 3.48Å; P75-F120 WeakPolarHBondContact CB-O 3.32Å; P75-I131 HydrophobicContact CB-CD1 4.19Å |
| 76 | Y | 98.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.6 | 167.8 | 70.3 | -86.4 | 0 | 0 | 0 | 110.8 | E87 I119 F120 E122 D128 | Y76-E87 HydrophobicContact CE2-CG 4.46Å; Y76-I119 WeakPolarHBondContact O-CA 3.3Å; Y76-F120 HydrophobicContact CD1-CB 3.98Å; Y76-F120 HydrophobicContact CD2-CB 4.49Å; Y76-F120 HydrophobicContact CE1-CB 3.44Å; Y76-F120 VanDerWaalsContact CE1-CB 3.44Å; Y76-F120 HydrophobicContact CE1-CG 4.41Å; Y76-F120 HydrophobicContact CE2-CB 4Å; Y76-F120 HydrophobicContact CE2-CD2 4.17Å; Y76-F120 HydrophobicContact CE2-CG 4.33Å; Y76-F120 HydrophobicContact CG-CB 4.48Å; Y76-F120 VanDerWaalsContact CZ-CB 3.45Å; Y76-F120 AromaticContact CZ-CG 3.95Å; Y76-F120 PolarHBondContact N-O 3.17Å; Y76-F120 PolarHBondContact O-N 3.27Å; Y76-E122 HydrophobicContact CD1-CB 4.09Å; Y76-E122 HydrophobicContact CE1-CB 4.13Å; Y76-D128 HydrophobicContact CE1-CB 4.43Å; Y76-D128 VanDerWaalsContact CE1-OD2 3.25Å; Y76-D128 WeakPolarHBondContact CE1-OD2 3.33Å; Y76-D128 PolarHBondContact OH-OD2 3.34Å |
| 77 | C | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.7 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | V59 E87 T88 W100 E118 | V59-C77 HydrophobicContact CG1-CB 4.25Å; C77-E87 CarbonylContact O-C 3.34Å; C77-E87 VanDerWaalsContact O-CA 3.27Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; C77-T88 HydrophobicContact CB-CG2 3.89Å; C77-T88 PolarHBondContact N-OG1 2.83Å; C77-T88 PolarHBondContact O-N 2.91Å; C77-W100 VanDerWaalsContact SG-CH2 3.54Å; C77-E118 CarbonylContact C-O 3.59Å; C77-E118 VanDerWaalsContact CA-O 3.27Å; C77-E118 WeakPolarHBondContact CA-O 3.49Å |
| 78 | R | 98.6 | Very high | 93.4 | Very high | 69 Ų | 69 | 51 Ų | 51 | 26% | 0.26 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.4 | 169.8 | -174.9 | 175 | 78.6 | -174.4 | 3.9 | 109.5 | V85 Y86 E87 L117 E118 F120 | R78-V85 HydrophobicContact CG-CG1 3.52Å; R78-Y86 CarbonylContact C-O 3.5Å; R78-Y86 WeakPolarHBondContact CA-O 3.32Å; R78-E87 HydrophobicContact CB-CG 4.03Å; R78-E87 VanDerWaalsContact CD-OE1 3.31Å; R78-E87 WeakPolarHBondContact CD-OE1 3.49Å; R78-E87 HydrophobicContact CG-CG 3.86Å; R78-L117 WeakPolarHBondContact O-CA 3.4Å; R78-E118 IonicContact CZ-OE2 2.88Å; R78-E118 VanDerWaalsContact CZ-OE2 3.24Å; R78-E118 PolarHBondContact N-O 3.03Å; R78-E118 IonicContact NE-OE2 3.52Å; R78-E118 PolarHBondContact NE-OE2 3.06Å; R78-E118 IonicContact NH2-OE1 3.66Å; R78-E118 IonicContact NH2-OE2 3.27Å; R78-E118 PolarHBondContact NH2-OE2 3.47Å; R78-E118 PolarHBondContact O-N 3.35Å; R78-F120 HydrophobicContact CB-CD2 4.23Å; R78-F120 HydrophobicContact CB-CE2 4.09Å |
| 79 | I | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.1 | 179.5 | -62.4 | 177.6 | 0 | 0 | 0 | 108.5 | I57 V59 V85 Y86 I104 F115 Y116 L117 | I57-I79 HydrophobicContact CB-CD1 4.39Å; I57-I79 HydrophobicContact CD1-CD1 4.13Å; I57-I79 HydrophobicContact CD1-CG2 4.13Å; I57-I79 HydrophobicContact CG2-CD1 3.98Å; V59-I79 HydrophobicContact CG2-CD1 3.9Å; I79-V85 CarbonylContact O-C 3.53Å; I79-V85 WeakPolarHBondContact O-CA 3.13Å; I79-Y86 PolarHBondContact N-O 2.84Å; I79-Y86 PolarHBondContact O-N 2.78Å; I79-I104 HydrophobicContact CD1-CD1 3.92Å; I79-F115 HydrophobicContact CG2-CB 4.26Å; I79-F115 HydrophobicContact CG2-CD2 3.77Å; I79-F115 HydrophobicContact CG2-CE2 4.46Å; I79-F115 HydrophobicContact CG2-CG 4.24Å; I79-Y116 WeakPolarHBondContact CA-O 3.39Å; I79-L117 HydrophobicContact CD1-CD1 4.24Å; I79-L117 HydrophobicContact CG1-CD1 4.03Å; I79-L117 HydrophobicContact CG1-CG 4.19Å |
| 80 | R | 96.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 32% | 0.317 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.8 | 170.6 | -173.4 | 175 | 67.2 | -134 | -1.8 | 109.7 | A84 V85 F115 Y116 | R80-A84 WeakPolarHBondContact CA-O 3.31Å; R80-V85 HydrophobicContact CB-CG2 4.46Å; R80-V85 HydrophobicContact CG-CG2 4.22Å; R80-F115 WeakPolarHBondContact O-CA 3.3Å; R80-F115 WeakPolarHBondContact O-CB 3.34Å; R80-Y116 PolarHBondContact N-O 3.29Å; R80-Y116 PolarHBondContact O-N 3.46Å |
| 81 | L | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109 | 176.8 | 179 | 75.5 | 0 | 0 | 0 | 108.8 | Y83 A84 C106 V108 V112 S114 F115 I138 | L81-Y83 PolarHBondContact O-N 3.2Å; L81-A84 PolarHBondContact N-O 2.83Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-C106 HydrophobicContact CD2-CB 3.47Å; L81-C106 VanDerWaalsContact CD2-CB 3.47Å; L81-V108 HydrophobicContact CD2-CG2 4.08Å; L81-V112 HydrophobicContact CD1-CG1 3.49Å; L81-V112 VanDerWaalsContact CD1-CG1 3.49Å; L81-V112 HydrophobicContact CG-CG1 4.13Å; L81-S114 WeakPolarHBondContact CD1-O 3.45Å; L81-F115 HydrophobicContact CB-CB 4.16Å; L81-F115 HydrophobicContact CD1-CB 3.75Å; L81-I138 HydrophobicContact CD1-CD1 3.9Å |
| 82 | G | 89.9 | Confident | 95.8 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -119.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q32 | Q32-G82 PolarHBondContact NE2-O 2.82Š|
| 83 | Y | 84.9 | Confident | 95.8 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.7 | 177.6 | 60.2 | -97.9 | 0 | 0 | 0 | 113.7 | D36 T39 L43 V49 L81 P109 | D36-Y83 WeakPolarHBondContact OD1-CA 3.21Å; T39-Y83 HydrophobicContact CG2-CD1 3.68Å; T39-Y83 HydrophobicContact CG2-CD2 3.52Å; T39-Y83 HydrophobicContact CG2-CE1 3.81Å; T39-Y83 HydrophobicContact CG2-CE2 3.68Å; T39-Y83 HydrophobicContact CG2-CG 3.55Å; L43-Y83 HydrophobicContact CD1-CE2 4.15Å; V49-Y83 HydrophobicContact CG1-CE1 3.78Å; V49-Y83 WeakPolarHBondContact CG1-OH 3.43Å; L81-Y83 PolarHBondContact O-N 3.2Å; Y83-P109 HydrophobicContact CD1-CG 3.91Å; Y83-P109 HydrophobicContact CE1-CB 4.02Å; Y83-P109 HydrophobicContact CE1-CG 3.38Å |
| 84 | A | 89.9 | Confident | 95.8 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111 | R80 L81 Y86 | R80-A84 WeakPolarHBondContact CA-O 3.31Å; L81-A84 PolarHBondContact N-O 2.83Å; L81-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.55Å |
| 85 | V | 95.7 | Very high | 95.7 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 48% | 0.479 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.7 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | R78 I79 R80 | R78-V85 HydrophobicContact CG-CG1 3.52Å; I79-V85 CarbonylContact O-C 3.53Å; I79-V85 WeakPolarHBondContact O-CA 3.13Å; R80-V85 HydrophobicContact CB-CG2 4.46Å; R80-V85 HydrophobicContact CG-CG2 4.22Å |
| 86 | Y | 97.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 47 Ų | 47 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.8 | 179.1 | -56.1 | -87.4 | 0 | 0 | 0 | 109.8 | R78 I79 A84 I104 C106 T107 | R78-Y86 CarbonylContact C-O 3.5Å; R78-Y86 WeakPolarHBondContact CA-O 3.32Å; I79-Y86 PolarHBondContact N-O 2.84Å; I79-Y86 PolarHBondContact O-N 2.78Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.55Å; Y86-I104 VanDerWaalsContact CB-CG2 3.46Å; Y86-I104 HydrophobicContact CD1-CG2 3.72Å; Y86-I104 HydrophobicContact CD2-CG2 4.28Å; Y86-I104 HydrophobicContact CG-CG2 3.57Å; Y86-C106 HydrophobicContact CD2-CB 4.42Å; Y86-C106 HydrophobicContact CE2-CB 3.78Å; Y86-T107 PolarHBondContact OH-N 2.84Å |
| 87 | E | 97.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.5 | -179.1 | -69 | 178.3 | 162.2 | 0 | 0 | 111.4 | Y76 C77 R78 | Y76-E87 HydrophobicContact CE2-CG 4.46Å; C77-E87 CarbonylContact O-C 3.34Å; C77-E87 VanDerWaalsContact O-CA 3.27Å; C77-E87 WeakPolarHBondContact O-CA 3.39Å; R78-E87 HydrophobicContact CB-CG 4.03Å; R78-E87 VanDerWaalsContact CD-OE1 3.31Å; R78-E87 WeakPolarHBondContact CD-OE1 3.49Å; R78-E87 HydrophobicContact CG-CG 3.86Å |
| 88 | T | 98.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 157.6 | 167.5 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | V59 C77 W100 K102 I104 | V59-T88 HydrophobicContact CB-CG2 3.95Å; V59-T88 HydrophobicContact CG1-CG2 4.22Å; V59-T88 HydrophobicContact CG2-CG2 3.94Å; C77-T88 HydrophobicContact CB-CG2 3.89Å; C77-T88 PolarHBondContact N-OG1 2.83Å; C77-T88 PolarHBondContact O-N 2.91Å; T88-W100 HydrophobicContact CG2-CG 4.49Å; T88-K102 HydrophobicContact CG2-CB 4.08Å; T88-K102 HydrophobicContact CG2-CG 4.18Å; T88-I104 HydrophobicContact CG2-CD1 3.91Å |
| 89 | P | 98.2 | Very high | 95.6 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 158.8 | 159.7 | -20 | 32.5 | 0 | 0 | 0 | 110.8 | W100 K102 | P89-W100 PolarHBondContact O-NE1 3.35Å; P89-K102 HydrophobicContact CG-CD 4.48Å |
| 90 | T | 98.1 | Very high | 95.6 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 132.9 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | D74 H92 E122 | D74-T90 HydrophobicContact CB-CG2 3.67Å; D74-T90 VanDerWaalsContact O-CG2 3.28Å; D74-T90 WeakPolarHBondContact O-CG2 3.46Å; T90-H92 PolarHBondContact O-N 3.34Å; T90-H92 VanDerWaalsContact O-N 3.16Å; T90-E122 WeakPolarHBondContact CB-OE2 3.35Å; T90-E122 HydrophobicContact CG2-CB 4.14Å; T90-E122 VanDerWaalsContact CG2-OE2 3.26Å; T90-E122 WeakPolarHBondContact CG2-OE2 3.39Å; T90-E122 PolarHBondContact OG1-OE2 3.37Å |
| 91 | A | 97.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -84.4 | 81.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P75 N93 G94 P98 | P75-A91 WeakPolarHBondContact CD-O 3.34Å; P75-A91 HydrophobicContact CG-CB 4.42Å; P75-A91 WeakPolarHBondContact O-CB 3.4Å; P75-A91 PolarHBondContact O-N 2.95Å; A91-N93 PolarHBondContact O-N 3.03Å; A91-G94 PolarHBondContact O-N 3.22Å; A91-P98 HydrophobicContact CB-CB 3.76Å | ||
| 92 | H | 96.1 | Very high | 95.8 | Very high | 142 Ų | 142 | 62.3 Ų | 62.3 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 132.3 | 179.6 | -61.6 | -62 | 0 | 0 | 0 | 111.6 | D74 T90 G94 | D74-H92 VanDerWaalsContact OD1-CA 3.32Å; D74-H92 WeakPolarHBondContact OD1-CA 3.36Å; T90-H92 PolarHBondContact O-N 3.34Å; T90-H92 VanDerWaalsContact O-N 3.16Å; H92-G94 PolarHBondContact O-N 3.31Å |
| 93 | N | 93.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21.4 | 179.8 | -151.8 | 33.7 | 0 | 0 | 0 | 114.3 | R72 D74 A91 A95 | R72-N93 WeakPolarHBondContact CB-OD1 3.41Å; R72-N93 WeakPolarHBondContact CD-OD1 3.44Å; R72-N93 PolarHBondContact NH1-ND2 3.32Å; D74-N93 PolarHBondContact OD1-N 2.92Å; A91-N93 PolarHBondContact O-N 3.03Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.19Å |
| 94 | G | 93.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | trans | -68.5 | -27.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M73 A91 H92 K96 N97 | M73-G94 PolarHBondContact O-N 3.05Å; A91-G94 PolarHBondContact O-N 3.22Å; H92-G94 PolarHBondContact O-N 3.31Å; G94-K96 PolarHBondContact O-N 3.33Å; G94-N97 CarbonylContact O-C 3.5Å; G94-N97 PolarHBondContact O-N 2.91Å | ||
| 95 | A | 94.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | -122.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R72 M73 N93 | R72-A95 HydrophobicContact CB-CB 3.95Å; R72-A95 HydrophobicContact CG-CB 3.88Å; M73-A95 WeakPolarHBondContact CE-O 3.35Å; M73-A95 PolarHBondContact O-N 3.49Å; N93-A95 VanDerWaalsContact C-N 3.32Å; N93-A95 PolarHBondContact O-N 3.19Å |
| 96 | K | 97.4 | Very high | 97 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 41% | 0.413 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.8 | 180 | -64.4 | -167.4 | -61.1 | 176.6 | 0 | 114.8 | K63 L64 N67 G94 P98 | K63-K96 CarbonylContact C-O 3.59Å; K63-K96 WeakPolarHBondContact CA-O 3.43Å; L64-K96 PolarHBondContact N-O 3.05Å; N67-K96 HydrophobicContact CB-CG 4.16Å; G94-K96 PolarHBondContact O-N 3.33Å; K96-P98 VanDerWaalsContact C-CD 3.42Å |
| 97 | N | 97.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -132.5 | 57.6 | -174.8 | -58.5 | -83 | 0 | 0 | 0 | 111.6 | A62 G94 | A62-N97 WeakPolarHBondContact O-CA 3.49Å; G94-N97 CarbonylContact O-C 3.5Å; G94-N97 PolarHBondContact O-N 2.91Å |
| 98 | P | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -67.7 | 151 | 179.6 | 32 | -38.5 | 0 | 0 | 0 | 112.4 | Q61 A62 L64 P75 A91 K96 W100 | Q61-P98 VanDerWaalsContact CA-O 3.28Å; Q61-P98 WeakPolarHBondContact CA-O 3.1Å; Q61-P98 WeakPolarHBondContact CB-O 3.37Å; A62-P98 HydrophobicContact CB-CG 4.02Å; A62-P98 PolarHBondContact N-O 2.8Å; L64-P98 HydrophobicContact CD1-CG 4.49Å; P75-P98 HydrophobicContact CB-CB 4.45Å; P75-P98 HydrophobicContact CB-CG 4.41Å; P75-P98 HydrophobicContact CG-CB 3.29Å; P75-P98 HydrophobicContact CG-CG 3.57Å; A91-P98 HydrophobicContact CB-CB 3.76Å; K96-P98 VanDerWaalsContact C-CD 3.42Å; P98-W100 HydrophobicContact CB-CH2 3.72Å; P98-W100 HydrophobicContact CB-CZ2 3.63Å; P98-W100 HydrophobicContact CB-CZ3 4.23Å; P98-W100 HydrophobicContact CG-CH2 3.27Å; P98-W100 HydrophobicContact CG-CZ2 3.66Å; P98-W100 HydrophobicContact CG-CZ3 3.87Å | ||
| 99 | R | 98.4 | Very high | 96 | Very high | 168 Ų | 168 | 58.6 Ų | 58.6 | 63% | 0.634 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.5 | 177.7 | -61.9 | -172.6 | 169.6 | -163.4 | -3.8 | 108.7 | Q61 | Q61-R99 HydrophobicContact CB-CB 4.47Å; Q61-R99 HydrophobicContact CB-CG 3.9Å |
| 100 | W | 98.5 | Very high | 95.5 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -41.5 | -178.8 | -59.5 | -83.2 | 0 | 0 | 0 | 111.5 | V59 V60 A62 P75 C77 T88 P89 P98 K102 I119 I166 | V59-W100 HydrophobicContact CG1-CD2 4.2Å; V59-W100 HydrophobicContact CG1-CE3 3.69Å; V59-W100 HydrophobicContact CG1-CZ3 4.19Å; V60-W100 PolarHBondContact O-N 3.49Å; A62-W100 HydrophobicContact CB-CH2 3.9Å; A62-W100 HydrophobicContact CB-CZ3 3.78Å; P75-W100 HydrophobicContact CB-CZ2 4.08Å; P75-W100 HydrophobicContact CG-CZ2 4.11Å; P75-W100 PolarHBondContact O-NE1 3.28Å; C77-W100 VanDerWaalsContact SG-CH2 3.54Å; T88-W100 HydrophobicContact CG2-CG 4.49Å; P89-W100 PolarHBondContact O-NE1 3.35Å; P98-W100 HydrophobicContact CB-CH2 3.72Å; P98-W100 HydrophobicContact CB-CZ2 3.63Å; P98-W100 HydrophobicContact CB-CZ3 4.23Å; P98-W100 HydrophobicContact CG-CH2 3.27Å; P98-W100 HydrophobicContact CG-CZ2 3.66Å; P98-W100 HydrophobicContact CG-CZ3 3.87Å; W100-K102 HydrophobicContact CB-CB 4.21Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.16Å; W100-I119 HydrophobicContact CH2-CG2 4.45Å; W100-I119 HydrophobicContact CZ2-CG2 4.47Å; W100-I166 HydrophobicContact CZ3-CD1 4.46Å |
| 101 | N | 97.6 | Very high | 95 | Very high | 110 Ų | 110 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47 | 39.9 | -172.6 | -55.3 | -62.5 | 0 | 0 | 0 | 111.9 | V59 V60 | V59-N101 WeakPolarHBondContact O-CA 3.08Å; V59-N101 PolarHBondContact O-N 3.2Å; V60-N101 PolarHBondContact O-N 2.74Å; V60-N101 VanDerWaalsContact O-N 3.14Å |
| 102 | K | 98.1 | Very high | 94.7 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.9 | -174.2 | 179.5 | 67.1 | 177.6 | -164.9 | 0 | 109.5 | T58 V59 T88 P89 W100 I104 | T58-K102 CarbonylContact C-O 3.57Å; T58-K102 WeakPolarHBondContact CA-O 3.36Å; V59-K102 PolarHBondContact N-O 3.03Å; V59-K102 PolarHBondContact O-N 3.04Å; T88-K102 HydrophobicContact CG2-CB 4.08Å; T88-K102 HydrophobicContact CG2-CG 4.18Å; P89-K102 HydrophobicContact CG-CD 4.48Å; W100-K102 HydrophobicContact CB-CB 4.21Å; W100-K102 PolarHBondContact O-N 3.47Å; W100-K102 VanDerWaalsContact O-N 3.16Å; K102-I104 HydrophobicContact CG-CG1 4.11Å |
| 103 | V | 98.3 | Very high | 94.6 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.7 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | T58 | T58-V103 HydrophobicContact CG2-CG2 4.04Å |
| 104 | I | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.5 | 173 | -62.5 | 174.5 | 0 | 0 | 0 | 107.5 | S56 I57 V59 I79 Y86 T88 K102 C106 | S56-I104 WeakPolarHBondContact CA-O 3.41Å; I57-I104 PolarHBondContact N-O 3.33Å; I57-I104 PolarHBondContact O-N 3.34Å; V59-I104 HydrophobicContact CG2-CD1 4.32Å; I79-I104 HydrophobicContact CD1-CD1 3.92Å; Y86-I104 VanDerWaalsContact CB-CG2 3.46Å; Y86-I104 HydrophobicContact CD1-CG2 3.72Å; Y86-I104 HydrophobicContact CD2-CG2 4.28Å; Y86-I104 HydrophobicContact CG-CG2 3.57Å; T88-I104 HydrophobicContact CG2-CD1 3.91Å; K102-I104 HydrophobicContact CG-CG1 4.11Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å |
| 105 | Q | 95.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.9 | 175.8 | -69.6 | -170.4 | 1.4 | 0 | 0 | 109.5 | R54 | R54-Q105 HydrophobicContact CG-CB 4.38Å |
| 106 | C | 93.5 | Very high | 95 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.2 | -178 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | R54 L55 L81 Y86 I104 | R54-C106 CarbonylContact C-O 3.44Å; R54-C106 VanDerWaalsContact CA-O 3.32Å; R54-C106 WeakPolarHBondContact CA-O 3.49Å; L55-C106 HydrophobicContact CB-CB 4.39Å; L55-C106 PolarHBondContact N-O 2.77Å; L55-C106 PolarHBondContact O-N 2.85Å; L81-C106 HydrophobicContact CD2-CB 3.47Å; L81-C106 VanDerWaalsContact CD2-CB 3.47Å; Y86-C106 HydrophobicContact CD2-CB 4.42Å; Y86-C106 HydrophobicContact CE2-CB 3.78Å; I104-C106 VanDerWaalsContact CG2-SG 3.58Å |
| 107 | T | 92 | Very high | 95.1 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.8 | 168.7 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | T51 Y86 P109 | T51-T107 HydrophobicContact CG2-CG2 3.77Å; T51-T107 WeakPolarHBondContact OG1-CG2 3.43Å; Y86-T107 PolarHBondContact OH-N 2.84Å; T107-P109 WeakPolarHBondContact O-CD 3.37Å |
| 108 | V | 91.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 113.4 | -175.3 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | T51 V52 G53 L55 L81 V112 F172 | T51-V108 CarbonylContact C-O 3.56Å; T51-V108 WeakPolarHBondContact CA-O 3.38Å; T51-V108 PolarHBondContact OG1-N 3.03Å; T51-V108 PolarHBondContact OG1-O 3.47Å; V52-V108 HydrophobicContact CG2-CB 3.94Å; V52-V108 HydrophobicContact CG2-CG1 3.86Å; V52-V108 WeakPolarHBondContact CG2-O 3.23Å; V52-V108 PolarHBondContact N-O 2.98Å; G53-V108 PolarHBondContact O-N 3.5Å; L55-V108 HydrophobicContact CB-CG2 3.52Å; L81-V108 HydrophobicContact CD2-CG2 4.08Å; V108-V112 HydrophobicContact CG1-CB 4.36Å; V108-F172 HydrophobicContact CB-CE2 4.1Å; V108-F172 HydrophobicContact CG2-CD2 4.17Å; V108-F172 HydrophobicContact CG2-CE2 3.66Å |
| 109 | P | 89.5 | Confident | 95.1 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.071 | 26% | 0.261 | C | S | . | . | trans | -68.8 | 155.8 | 176.2 | -17.2 | 32.6 | 0 | 0 | 0 | 111.8 | Y83 T107 G111 V112 | Y83-P109 HydrophobicContact CD1-CG 3.91Å; Y83-P109 HydrophobicContact CE1-CB 4.02Å; Y83-P109 HydrophobicContact CE1-CG 3.38Å; T107-P109 WeakPolarHBondContact O-CD 3.37Å; P109-G111 PolarHBondContact O-N 2.9Å; P109-V112 HydrophobicContact CB-CG2 3.92Å; P109-V112 HydrophobicContact CG-CG2 4.06Å; P109-V112 PolarHBondContact O-N 3.31Å | ||
| 110 | P | 87.3 | Confident | 95.1 | Very high | 76 Ų | 76 | 40.7 Ų | 40.7 | 49% | 0.494 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 137.5 | 171.3 | -23.9 | 30.9 | 0 | 0 | 0 | 112 | N50 V52 V112 | N50-P110 HydrophobicContact CB-CG 4.04Å; N50-P110 WeakPolarHBondContact O-CD 3.25Å; V52-P110 HydrophobicContact CG1-CB 4.16Å; V52-P110 HydrophobicContact CG1-CG 4.09Å; P110-V112 PolarHBondContact O-N 3.49Å |
| 111 | G | 87.8 | Confident | 95 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 85% | 0.845 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P109 | P109-G111 PolarHBondContact O-N 2.9Š|
| 112 | V | 91.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | trans | -88.3 | 121.4 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | L81 V108 P109 P110 S114 | L81-V112 HydrophobicContact CD1-CG1 3.49Å; L81-V112 VanDerWaalsContact CD1-CG1 3.49Å; L81-V112 HydrophobicContact CG-CG1 4.13Å; V108-V112 HydrophobicContact CG1-CB 4.36Å; P109-V112 HydrophobicContact CB-CG2 3.92Å; P109-V112 HydrophobicContact CG-CG2 4.06Å; P109-V112 PolarHBondContact O-N 3.31Å; P110-V112 PolarHBondContact O-N 3.49Å; V112-S114 WeakPolarHBondContact CG1-O 3.36Å | ||
| 113 | D | 94 | Very high | 94.6 | Very high | 93 Ų | 93 | 37.5 Ų | 37.5 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | trans | -122.9 | 1.5 | -178 | 66.1 | -1.2 | 0 | 0 | 0 | 113 | I138 | D113-I138 VanDerWaalsContact O-CB 3.3Å; D113-I138 WeakPolarHBondContact O-CB 3.47Å; D113-I138 WeakPolarHBondContact O-CG1 3.03Å; D113-I138 PolarHBondContact O-N 2.81Å | ||
| 114 | S | 96 | Very high | 94 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 156.6 | -173 | 47.7 | 0 | 0 | 0 | 0 | 111 | L81 V112 H135 V136 | L81-S114 WeakPolarHBondContact CD1-O 3.45Å; V112-S114 WeakPolarHBondContact CG1-O 3.36Å; S114-H135 WeakPolarHBondContact CB-CE1 3.44Å; S114-H135 PolarHBondContact OG-NE2 2.94Å; S114-V136 CarbonylContact C-O 3.56Å; S114-V136 VanDerWaalsContact CA-O 3.23Å; S114-V136 WeakPolarHBondContact CA-O 3.4Å; S114-V136 WeakPolarHBondContact CB-O 3.15Å |
| 115 | F | 97.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.4 | 173.1 | 63.1 | -88.8 | 0 | 0 | 0 | 111.1 | L55 I57 I79 R80 L81 L117 V136 I138 L168 M170 | L55-F115 HydrophobicContact CD2-CD1 4.37Å; L55-F115 HydrophobicContact CD2-CE1 4.45Å; I57-F115 HydrophobicContact CD1-CD1 4.15Å; I57-F115 HydrophobicContact CD1-CD2 4.37Å; I57-F115 HydrophobicContact CD1-CE1 3.94Å; I57-F115 HydrophobicContact CD1-CE2 4.16Å; I57-F115 HydrophobicContact CD1-CG 4.35Å; I57-F115 HydrophobicContact CD1-CZ 3.93Å; I79-F115 HydrophobicContact CG2-CB 4.26Å; I79-F115 HydrophobicContact CG2-CD2 3.77Å; I79-F115 HydrophobicContact CG2-CE2 4.46Å; I79-F115 HydrophobicContact CG2-CG 4.24Å; R80-F115 WeakPolarHBondContact O-CA 3.3Å; R80-F115 WeakPolarHBondContact O-CB 3.34Å; L81-F115 HydrophobicContact CB-CB 4.16Å; L81-F115 HydrophobicContact CD1-CB 3.75Å; F115-L117 HydrophobicContact CD2-CB 4.39Å; F115-L117 HydrophobicContact CE2-CB 4.27Å; F115-L117 HydrophobicContact CE2-CD1 4.45Å; F115-V136 HydrophobicContact CD1-CB 4.24Å; F115-V136 HydrophobicContact CD2-CB 4.31Å; F115-V136 HydrophobicContact CE1-CB 3.72Å; F115-V136 HydrophobicContact CE1-CG1 3.64Å; F115-V136 HydrophobicContact CE2-CB 3.8Å; F115-V136 HydrophobicContact CE2-CG1 4.4Å; F115-V136 HydrophobicContact CE2-CG2 3.96Å; F115-V136 HydrophobicContact CZ-CB 3.48Å; F115-V136 VanDerWaalsContact CZ-CB 3.48Å; F115-V136 HydrophobicContact CZ-CG1 3.59Å; F115-V136 HydrophobicContact CZ-CG2 3.93Å; F115-V136 PolarHBondContact N-O 2.85Å; F115-V136 PolarHBondContact O-N 2.87Å; F115-I138 HydrophobicContact CD1-CG1 4.03Å; F115-I138 HydrophobicContact CE1-CG1 4.39Å; F115-L168 HydrophobicContact CE2-CD1 4.23Å; F115-L168 HydrophobicContact CZ-CD1 4.02Å; F115-M170 HydrophobicContact CE1-SD 3.66Å; F115-M170 HydrophobicContact CZ-SD 3.77Å |
| 116 | Y | 97.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.6 | 175.5 | -167.2 | -114.4 | 0 | 0 | 0 | 109.2 | I79 R80 E118 W133 T134 H135 | I79-Y116 WeakPolarHBondContact CA-O 3.39Å; R80-Y116 PolarHBondContact N-O 3.29Å; R80-Y116 PolarHBondContact O-N 3.46Å; Y116-E118 HydrophobicContact CD1-CG 3.65Å; Y116-E118 HydrophobicContact CE1-CG 3.26Å; Y116-W133 HydrophobicContact CE1-CB 4.43Å; Y116-W133 HydrophobicContact CE2-CB 4.37Å; Y116-W133 AromaticContact CE2-CD1 3.95Å; Y116-W133 HydrophobicContact CE2-CG 4.44Å; Y116-W133 AromaticContact CZ-CD1 3.84Å; Y116-W133 AromaticContact CZ-CG 3.97Å; Y116-W133 WeakPolarHBondContact OH-CB 3.3Å; Y116-T134 WeakPolarHBondContact CD2-O 3.32Å; Y116-H135 HydrophobicContact CD2-CB 4.3Å |
| 117 | L | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.5 | 177 | -175.5 | 152.4 | 0 | 0 | 0 | 109.1 | R78 I79 F115 I119 W133 T134 I166 L168 | R78-L117 WeakPolarHBondContact O-CA 3.4Å; I79-L117 HydrophobicContact CD1-CD1 4.24Å; I79-L117 HydrophobicContact CG1-CD1 4.03Å; I79-L117 HydrophobicContact CG1-CG 4.19Å; F115-L117 HydrophobicContact CD2-CB 4.39Å; F115-L117 HydrophobicContact CE2-CB 4.27Å; F115-L117 HydrophobicContact CE2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; L117-W133 CarbonylContact O-C 3.59Å; L117-W133 WeakPolarHBondContact O-CA 3.32Å; L117-W133 WeakPolarHBondContact O-CB 3.34Å; L117-T134 HydrophobicContact CB-CG2 4.04Å; L117-T134 HydrophobicContact CD2-CG2 4.32Å; L117-T134 PolarHBondContact N-O 3.35Å; L117-T134 PolarHBondContact O-N 2.83Å; L117-I166 HydrophobicContact CD1-CD1 3.83Å; L117-I166 HydrophobicContact CD2-CD1 3.74Å; L117-I166 HydrophobicContact CG-CD1 4.47Å; L117-L168 HydrophobicContact CD1-CD1 4.15Å; L117-L168 HydrophobicContact CD1-CD2 4Å |
| 118 | E | 98.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.3 | 174.7 | -64.4 | 173.7 | 109.8 | 0 | 0 | 109.3 | C77 R78 Y116 F120 R130 W133 | C77-E118 CarbonylContact C-O 3.59Å; C77-E118 VanDerWaalsContact CA-O 3.27Å; C77-E118 WeakPolarHBondContact CA-O 3.49Å; R78-E118 IonicContact CZ-OE2 2.88Å; R78-E118 VanDerWaalsContact CZ-OE2 3.24Å; R78-E118 PolarHBondContact N-O 3.03Å; R78-E118 IonicContact NE-OE2 3.52Å; R78-E118 PolarHBondContact NE-OE2 3.06Å; R78-E118 IonicContact NH2-OE1 3.66Å; R78-E118 IonicContact NH2-OE2 3.27Å; R78-E118 PolarHBondContact NH2-OE2 3.47Å; R78-E118 PolarHBondContact O-N 3.35Å; Y116-E118 HydrophobicContact CD1-CG 3.65Å; Y116-E118 HydrophobicContact CE1-CG 3.26Å; E118-F120 HydrophobicContact CB-CD2 4.1Å; E118-F120 HydrophobicContact CB-CE2 3.49Å; E118-F120 VanDerWaalsContact CB-CE2 3.49Å; E118-F120 HydrophobicContact CB-CZ 4.29Å; E118-F120 HydrophobicContact CG-CE2 4.36Å; E118-R130 HydrophobicContact CB-CG 4.45Å; E118-R130 WeakPolarHBondContact OE1-CD 3.46Å; E118-R130 IonicContact OE1-CZ 3.98Å; E118-R130 IonicContact OE1-NE 3.66Å; E118-R130 IonicContact OE1-NH1 3.08Å; E118-R130 PolarHBondContact OE1-NH1 2.97Å; E118-W133 HydrophobicContact CG-CB 4.1Å |
| 119 | I | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.2 | 171.1 | -48.8 | -178.1 | 0 | 0 | 0 | 107 | A62 L64 P75 Y76 W100 L117 I131 A132 L154 I166 | A62-I119 HydrophobicContact CB-CD1 4.21Å; L64-I119 HydrophobicContact CD2-CD1 4Å; P75-I119 HydrophobicContact CB-CG2 3.91Å; Y76-I119 WeakPolarHBondContact O-CA 3.3Å; W100-I119 HydrophobicContact CH2-CG2 4.45Å; W100-I119 HydrophobicContact CZ2-CG2 4.47Å; L117-I119 HydrophobicContact CD2-CD1 4.45Å; L117-I119 HydrophobicContact CD2-CG1 3.83Å; I119-I131 HydrophobicContact CB-CG1 4.09Å; I119-I131 HydrophobicContact CG2-CD1 3.87Å; I119-I131 HydrophobicContact CG2-CG1 3.91Å; I119-I131 VanDerWaalsContact O-CG1 3.26Å; I119-I131 WeakPolarHBondContact O-CG1 3.36Å; I119-I131 PolarHBondContact O-N 2.82Å; I119-A132 HydrophobicContact CB-CB 4.19Å; I119-A132 HydrophobicContact CD1-CB 4.24Å; I119-A132 HydrophobicContact CG1-CB 4.36Å; I119-A132 PolarHBondContact N-O 2.99Å; I119-A132 PolarHBondContact O-N 2.84Å; I119-L154 HydrophobicContact CD1-CD1 3.64Å; I119-L154 HydrophobicContact CD1-CD2 3.99Å; I119-I166 HydrophobicContact CD1-CD1 4.11Å |
| 120 | F | 98 | Very high | 93.7 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 153.8 | 176.4 | -72.3 | -93.1 | 0 | 0 | 0 | 110 | P75 Y76 R78 E118 D128 D129 R130 | P75-F120 CarbonylContact C-O 3.51Å; P75-F120 WeakPolarHBondContact CA-O 3.48Å; P75-F120 WeakPolarHBondContact CB-O 3.32Å; Y76-F120 HydrophobicContact CD1-CB 3.98Å; Y76-F120 HydrophobicContact CD2-CB 4.49Å; Y76-F120 HydrophobicContact CE1-CB 3.44Å; Y76-F120 VanDerWaalsContact CE1-CB 3.44Å; Y76-F120 HydrophobicContact CE1-CG 4.41Å; Y76-F120 HydrophobicContact CE2-CB 4Å; Y76-F120 HydrophobicContact CE2-CD2 4.17Å; Y76-F120 HydrophobicContact CE2-CG 4.33Å; Y76-F120 HydrophobicContact CG-CB 4.48Å; Y76-F120 VanDerWaalsContact CZ-CB 3.45Å; Y76-F120 AromaticContact CZ-CG 3.95Å; Y76-F120 PolarHBondContact N-O 3.17Å; Y76-F120 PolarHBondContact O-N 3.27Å; R78-F120 HydrophobicContact CB-CD2 4.23Å; R78-F120 HydrophobicContact CB-CE2 4.09Å; E118-F120 HydrophobicContact CB-CD2 4.1Å; E118-F120 HydrophobicContact CB-CE2 3.49Å; E118-F120 VanDerWaalsContact CB-CE2 3.49Å; E118-F120 HydrophobicContact CB-CZ 4.29Å; E118-F120 HydrophobicContact CG-CE2 4.36Å; F120-D128 HydrophobicContact CB-CB 4.39Å; F120-D128 HydrophobicContact CD1-CB 4.16Å; F120-D129 CarbonylContact C-O 3.56Å; F120-D129 VanDerWaalsContact CA-O 3.27Å; F120-D129 WeakPolarHBondContact CA-O 3.46Å; F120-R130 HydrophobicContact CD1-CB 3.89Å; F120-R130 HydrophobicContact CD1-CG 4.42Å; F120-R130 HydrophobicContact CE1-CB 3.52Å; F120-R130 HydrophobicContact CE1-CG 4.02Å; F120-R130 HydrophobicContact CE2-CG 4.38Å; F120-R130 HydrophobicContact CZ-CB 3.97Å; F120-R130 HydrophobicContact CZ-CG 3.97Å |
| 121 | D | 96.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.8 | 165.9 | 177.5 | 43.5 | 0 | 0 | 0 | 108 | M73 D74 R123 D128 D129 I131 | M73-D121 WeakPolarHBondContact CA-OD1 3.19Å; M73-D121 HydrophobicContact CB-CB 4.47Å; M73-D121 WeakPolarHBondContact CB-OD1 3.49Å; M73-D121 HydrophobicContact CG-CB 4.26Å; M73-D121 WeakPolarHBondContact CG-OD1 3.19Å; D74-D121 PolarHBondContact N-OD1 2.86Å; D121-R123 IonicContact OD2-NE 3.86Å; D121-R123 PolarHBondContact OD2-NE 3.33Å; D121-R123 IonicContact OD2-NH2 3.39Å; D121-D128 WeakPolarHBondContact O-CA 3.41Å; D121-D129 HydrophobicContact CB-CB 4.48Å; D121-D129 PolarHBondContact N-O 3.27Å; D121-D129 PolarHBondContact O-N 3.4Å; D121-I131 HydrophobicContact CB-CG2 3.91Å |
| 122 | E | 95.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | trans | -68 | 133.4 | 178.2 | -172.4 | -177.8 | 169 | 0 | 0 | 110 | D74 Y76 T90 D128 | D74-E122 HydrophobicContact CB-CB 4.38Å; D74-E122 PolarHBondContact O-N 3.47Å; Y76-E122 HydrophobicContact CD1-CB 4.09Å; Y76-E122 HydrophobicContact CE1-CB 4.13Å; T90-E122 WeakPolarHBondContact CB-OE2 3.35Å; T90-E122 HydrophobicContact CG2-CB 4.14Å; T90-E122 VanDerWaalsContact CG2-OE2 3.26Å; T90-E122 WeakPolarHBondContact CG2-OE2 3.39Å; T90-E122 PolarHBondContact OG1-OE2 3.37Å; E122-D128 WeakPolarHBondContact CA-OD1 3.16Å | ||
| 123 | R | 91.4 | Very high | 95 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | trans | -127.8 | 130.8 | -179 | -66.9 | -174.1 | 176.4 | 165.9 | 4.4 | 112.4 | D121 F125 S126 D128 D129 | D121-R123 IonicContact OD2-NE 3.86Å; D121-R123 PolarHBondContact OD2-NE 3.33Å; D121-R123 IonicContact OD2-NH2 3.39Å; R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.16Å; R123-S126 WeakPolarHBondContact CB-OG 3.34Å; R123-S126 WeakPolarHBondContact CD-OG 3.24Å; R123-D128 PolarHBondContact N-OD1 3.44Å; R123-D129 IonicContact CZ-OD1 3.79Å; R123-D129 IonicContact CZ-OD2 2.73Å; R123-D129 VanDerWaalsContact CZ-OD2 3.27Å; R123-D129 IonicContact NH1-OD1 3.79Å; R123-D129 PolarHBondContact NH1-OD1 3.49Å; R123-D129 IonicContact NH1-OD2 3.54Å; R123-D129 PolarHBondContact NH1-OD2 3.06Å; R123-D129 IonicContact NH2-OD1 2.99Å; R123-D129 IonicContact NH2-OD2 3.21Å; R123-D129 PolarHBondContact NH2-OD2 3.02Å | ||
| 124 | A | 86.3 | Confident | 95.2 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 75% | 0.752 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -67.2 | -28.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 125 | F | 85.9 | Confident | 95.3 | Very high | 208 Ų | 208 | 53.9 Ų | 53.9 | 91% | 0.912 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -127.3 | 7.5 | -170.8 | -57.4 | -69.3 | 0 | 0 | 0 | 114.1 | R123 | R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.16Å |
| 126 | S | 88.8 | Confident | 95.3 | Very high | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -147.3 | 174.3 | 178.4 | 72.1 | 0 | 0 | 0 | 0 | 110.4 | R123 | R123-S126 WeakPolarHBondContact CB-OG 3.34Å; R123-S126 WeakPolarHBondContact CD-OG 3.24Å |
| 127 | M | 92.4 | Very high | 95.3 | Very high | 170 Ų | 170 | 56 Ų | 56 | 84% | 0.837 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 150 | 168.5 | -60 | -177.8 | -162.4 | 0 | 0 | 110.7 | ||
| 128 | D | 95.2 | Very high | 95.1 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 136.2 | 175.4 | -65.4 | -11.8 | 0 | 0 | 0 | 110.9 | Y76 F120 D121 E122 R123 | Y76-D128 HydrophobicContact CE1-CB 4.43Å; Y76-D128 VanDerWaalsContact CE1-OD2 3.25Å; Y76-D128 WeakPolarHBondContact CE1-OD2 3.33Å; Y76-D128 PolarHBondContact OH-OD2 3.34Å; F120-D128 HydrophobicContact CB-CB 4.39Å; F120-D128 HydrophobicContact CD1-CB 4.16Å; D121-D128 WeakPolarHBondContact O-CA 3.41Å; E122-D128 WeakPolarHBondContact CA-OD1 3.16Å; R123-D128 PolarHBondContact N-OD1 3.44Å |
| 129 | D | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.193 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.5 | -179.5 | -98.2 | 26.9 | 0 | 0 | 0 | 109.6 | F120 D121 R123 I131 R157 | F120-D129 CarbonylContact C-O 3.56Å; F120-D129 VanDerWaalsContact CA-O 3.27Å; F120-D129 WeakPolarHBondContact CA-O 3.46Å; D121-D129 HydrophobicContact CB-CB 4.48Å; D121-D129 PolarHBondContact N-O 3.27Å; D121-D129 PolarHBondContact O-N 3.4Å; R123-D129 IonicContact CZ-OD1 3.79Å; R123-D129 IonicContact CZ-OD2 2.73Å; R123-D129 VanDerWaalsContact CZ-OD2 3.27Å; R123-D129 IonicContact NH1-OD1 3.79Å; R123-D129 PolarHBondContact NH1-OD1 3.49Å; R123-D129 IonicContact NH1-OD2 3.54Å; R123-D129 PolarHBondContact NH1-OD2 3.06Å; R123-D129 IonicContact NH2-OD1 2.99Å; R123-D129 IonicContact NH2-OD2 3.21Å; R123-D129 PolarHBondContact NH2-OD2 3.02Å; D129-I131 HydrophobicContact CB-CG2 4.47Å; D129-I131 PolarHBondContact O-N 3.13Å; D129-R157 VanDerWaalsContact CG-NH2 3.33Å; D129-R157 IonicContact OD2-CZ 2.75Å; D129-R157 IonicContact OD2-NH1 3.56Å; D129-R157 IonicContact OD2-NH2 3.76Å; D129-R157 PolarHBondContact OD2-NH2 3.03Å |
| 130 | R | 96.7 | Very high | 94.4 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 117 | 165.4 | -165 | 174.2 | 68.3 | -173.3 | 2.2 | 109.1 | E118 F120 W133 | E118-R130 HydrophobicContact CB-CG 4.45Å; E118-R130 WeakPolarHBondContact OE1-CD 3.46Å; E118-R130 IonicContact OE1-CZ 3.98Å; E118-R130 IonicContact OE1-NE 3.66Å; E118-R130 IonicContact OE1-NH1 3.08Å; E118-R130 PolarHBondContact OE1-NH1 2.97Å; F120-R130 HydrophobicContact CD1-CB 3.89Å; F120-R130 HydrophobicContact CD1-CG 4.42Å; F120-R130 HydrophobicContact CE1-CB 3.52Å; F120-R130 HydrophobicContact CE1-CG 4.02Å; F120-R130 HydrophobicContact CE2-CG 4.38Å; F120-R130 HydrophobicContact CZ-CB 3.97Å; F120-R130 HydrophobicContact CZ-CG 3.97Å; R130-W133 HydrophobicContact CG-CE3 4.37Å |
| 131 | I | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -34.2 | -177.1 | 58.8 | 175.9 | 0 | 0 | 0 | 112.5 | L64 Y68 M73 P75 I119 D121 D129 E163 | L64-I131 HydrophobicContact CD1-CD1 3.62Å; Y68-I131 HydrophobicContact CD2-CB 3.9Å; Y68-I131 HydrophobicContact CD2-CG2 3.76Å; Y68-I131 HydrophobicContact CE2-CB 4.3Å; Y68-I131 HydrophobicContact CG-CG2 4.31Å; M73-I131 HydrophobicContact CE-CD1 4.1Å; M73-I131 HydrophobicContact SD-CD1 3.87Å; M73-I131 HydrophobicContact SD-CG2 4.19Å; P75-I131 HydrophobicContact CB-CD1 4.19Å; I119-I131 HydrophobicContact CB-CG1 4.09Å; I119-I131 HydrophobicContact CG2-CD1 3.87Å; I119-I131 HydrophobicContact CG2-CG1 3.91Å; I119-I131 VanDerWaalsContact O-CG1 3.26Å; I119-I131 WeakPolarHBondContact O-CG1 3.36Å; I119-I131 PolarHBondContact O-N 2.82Å; D121-I131 HydrophobicContact CB-CG2 3.91Å; D129-I131 HydrophobicContact CB-CG2 4.47Å; D129-I131 PolarHBondContact O-N 3.13Å; I131-E163 WeakPolarHBondContact O-CG 3.27Å |
| 132 | A | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L64 I119 L154 S155 E163 | L64-A132 HydrophobicContact CD2-CB 4.34Å; I119-A132 HydrophobicContact CB-CB 4.19Å; I119-A132 HydrophobicContact CD1-CB 4.24Å; I119-A132 HydrophobicContact CG1-CB 4.36Å; I119-A132 PolarHBondContact N-O 2.99Å; I119-A132 PolarHBondContact O-N 2.84Å; A132-L154 HydrophobicContact CB-CB 4.15Å; A132-L154 HydrophobicContact CB-CD1 4.16Å; A132-L154 HydrophobicContact CB-CD2 4.38Å; A132-L154 HydrophobicContact CB-CG 4.48Å; A132-S155 CarbonylContact C-O 3.29Å; A132-S155 WeakPolarHBondContact CA-O 3.27Å; A132-E163 HydrophobicContact CB-CB 4.14Å; A132-E163 HydrophobicContact CB-CG 3.64Å |
| 133 | W | 98.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 163.2 | 174.2 | 61.9 | 87.7 | 0 | 0 | 0 | 111.9 | Y116 L117 E118 R130 S155 G156 | Y116-W133 HydrophobicContact CE1-CB 4.43Å; Y116-W133 HydrophobicContact CE2-CB 4.37Å; Y116-W133 AromaticContact CE2-CD1 3.95Å; Y116-W133 HydrophobicContact CE2-CG 4.44Å; Y116-W133 AromaticContact CZ-CD1 3.84Å; Y116-W133 AromaticContact CZ-CG 3.97Å; Y116-W133 WeakPolarHBondContact OH-CB 3.3Å; L117-W133 CarbonylContact O-C 3.59Å; L117-W133 WeakPolarHBondContact O-CA 3.32Å; L117-W133 WeakPolarHBondContact O-CB 3.34Å; E118-W133 HydrophobicContact CG-CB 4.1Å; R130-W133 HydrophobicContact CG-CE3 4.37Å; W133-S155 PolarHBondContact N-O 2.79Å; W133-S155 PolarHBondContact O-N 3.07Å; W133-G156 VanDerWaalsContact CH2-CA 3.44Å; W133-G156 VanDerWaalsContact CZ3-CA 3.47Å |
| 134 | T | 98.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 70.4 Ų | 70.4 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.3 | 171.8 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | Y116 L117 V136 S153 L154 I166 | Y116-T134 WeakPolarHBondContact CD2-O 3.32Å; L117-T134 HydrophobicContact CB-CG2 4.04Å; L117-T134 HydrophobicContact CD2-CG2 4.32Å; L117-T134 PolarHBondContact N-O 3.35Å; L117-T134 PolarHBondContact O-N 2.83Å; T134-V136 HydrophobicContact CG2-CG2 3.94Å; T134-S153 WeakPolarHBondContact CB-O 3.27Å; T134-S153 PolarHBondContact OG1-O 3.45Å; T134-L154 HydrophobicContact CG2-CD2 3.95Å; T134-I166 HydrophobicContact CG2-CG2 4.28Å |
| 135 | H | 97.6 | Very high | 93.4 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.2 | 174.6 | -176.6 | -89.5 | 0 | 0 | 0 | 108.5 | S114 Y116 | S114-H135 WeakPolarHBondContact CB-CE1 3.44Å; S114-H135 PolarHBondContact OG-NE2 2.94Å; Y116-H135 HydrophobicContact CD2-CB 4.3Å |
| 136 | V | 97.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.6 | -175 | -178.5 | 0 | 0 | 0 | 0 | 109 | S114 F115 T134 F152 L168 M170 | S114-V136 CarbonylContact C-O 3.56Å; S114-V136 VanDerWaalsContact CA-O 3.23Å; S114-V136 WeakPolarHBondContact CA-O 3.4Å; S114-V136 WeakPolarHBondContact CB-O 3.15Å; F115-V136 HydrophobicContact CD1-CB 4.24Å; F115-V136 HydrophobicContact CD2-CB 4.31Å; F115-V136 HydrophobicContact CE1-CB 3.72Å; F115-V136 HydrophobicContact CE1-CG1 3.64Å; F115-V136 HydrophobicContact CE2-CB 3.8Å; F115-V136 HydrophobicContact CE2-CG1 4.4Å; F115-V136 HydrophobicContact CE2-CG2 3.96Å; F115-V136 HydrophobicContact CZ-CB 3.48Å; F115-V136 VanDerWaalsContact CZ-CB 3.48Å; F115-V136 HydrophobicContact CZ-CG1 3.59Å; F115-V136 HydrophobicContact CZ-CG2 3.93Å; F115-V136 PolarHBondContact N-O 2.85Å; F115-V136 PolarHBondContact O-N 2.87Å; T134-V136 HydrophobicContact CG2-CG2 3.94Å; V136-F152 HydrophobicContact CG1-CD1 4.06Å; V136-F152 HydrophobicContact CG1-CE1 3.64Å; V136-F152 HydrophobicContact CG1-CZ 4.01Å; V136-F152 HydrophobicContact CG2-CD1 3.88Å; V136-F152 HydrophobicContact CG2-CE1 4.32Å; V136-F152 HydrophobicContact CG2-CG 4.13Å; V136-L168 HydrophobicContact CG2-CD1 4.24Å; V136-M170 HydrophobicContact CG1-CE 4.12Å; V136-M170 HydrophobicContact CG1-SD 4.34Å |
| 137 | T | 96.8 | Very high | 94.2 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 129.8 | 168 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | P139 | T137-P139 WeakPolarHBondContact O-CD 3.35Å |
| 138 | I | 94.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | trans | -71.1 | 113.4 | 177.4 | -58.7 | 168.5 | 0 | 0 | 0 | 107.6 | L55 L81 D113 F115 E140 L142 | L55-I138 HydrophobicContact CD1-CG2 4.36Å; L55-I138 HydrophobicContact CD2-CD1 3.84Å; L55-I138 HydrophobicContact CD2-CG1 4.06Å; L81-I138 HydrophobicContact CD1-CD1 3.9Å; D113-I138 VanDerWaalsContact O-CB 3.3Å; D113-I138 WeakPolarHBondContact O-CB 3.47Å; D113-I138 WeakPolarHBondContact O-CG1 3.03Å; D113-I138 PolarHBondContact O-N 2.81Å; F115-I138 HydrophobicContact CD1-CG1 4.03Å; F115-I138 HydrophobicContact CE1-CG1 4.39Å; I138-E140 PolarHBondContact O-N 2.94Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å | ||
| 139 | P | 93.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | trans | -64 | 136.8 | -178.7 | -24.8 | 37.5 | 0 | 0 | 0 | 111.6 | T137 G141 L142 V148 | T137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-G141 PolarHBondContact O-N 3.05Å; P139-L142 HydrophobicContact CB-CG 4.46Å; P139-L142 WeakPolarHBondContact O-CB 3.41Å; P139-L142 PolarHBondContact O-N 3.48Å; P139-V148 HydrophobicContact CB-CG2 4.43Å; P139-V148 HydrophobicContact CG-CG2 4.17Å | ||
| 140 | E | 89.1 | Confident | 94.7 | Very high | 165 Ų | 165 | 63.1 Ų | 63.1 | 77% | 0.771 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -58 | -35.9 | 179.1 | -67.7 | -171.9 | 162.6 | 0 | 0 | 112.1 | I138 L142 R143 | I138-E140 PolarHBondContact O-N 2.94Å; E140-L142 PolarHBondContact O-N 3.1Å; E140-R143 VanDerWaalsContact O-CB 3.29Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.31Å |
| 141 | G | 90.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -58.8 | -21.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P139 R143 D144 N146 | P139-G141 PolarHBondContact O-N 3.05Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.84Å; G141-D144 PolarHBondContact O-N 3.06Å; G141-N146 WeakPolarHBondContact O-CB 3.48Å; G141-N146 PolarHBondContact O-N 2.75Å; G141-N146 PolarHBondContact O-ND2 3.03Å |
| 142 | L | 92.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -62.7 | -36.6 | 171.5 | -70.9 | -179.3 | 0 | 0 | 0 | 111.5 | L55 I138 P139 E140 D144 G145 N146 V148 M170 F172 | L55-L142 HydrophobicContact CD1-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; P139-L142 HydrophobicContact CB-CG 4.46Å; P139-L142 WeakPolarHBondContact O-CB 3.41Å; P139-L142 PolarHBondContact O-N 3.48Å; E140-L142 PolarHBondContact O-N 3.1Å; L142-D144 PolarHBondContact O-N 2.79Å; L142-G145 PolarHBondContact O-N 2.83Å; L142-N146 WeakPolarHBondContact CD2-O 3.37Å; L142-V148 HydrophobicContact CD2-CB 3.96Å; L142-V148 HydrophobicContact CD2-CG2 3.54Å; L142-V148 HydrophobicContact CG-CG2 3.97Å; L142-M170 HydrophobicContact CD1-CB 3.71Å; L142-M170 HydrophobicContact CD2-CB 4.2Å; L142-M170 WeakPolarHBondContact CD2-O 3.37Å; L142-F172 HydrophobicContact CB-CB 3.92Å; L142-F172 WeakPolarHBondContact O-CB 3.14Å |
| 143 | R | 88.1 | Confident | 94.9 | Very high | 108 Ų | 108 | 67 Ų | 67 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25 | -179.6 | -61.5 | 179.3 | 174.5 | -108.5 | 0.7 | 112.3 | E140 G141 G145 F172 | E140-R143 VanDerWaalsContact O-CB 3.29Å; E140-R143 WeakPolarHBondContact O-CB 3.34Å; E140-R143 PolarHBondContact O-N 3.31Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.84Å; R143-G145 PolarHBondContact O-N 2.77Å; R143-F172 HydrophobicContact CB-CD1 4.32Å; R143-F172 HydrophobicContact CG-CD1 4.07Å; R143-F172 HydrophobicContact CG-CE1 4.17Å; R143-F172 HydrophobicContact CG-CG 4.43Å |
| 144 | D | 89 | Confident | 94.9 | Very high | 132 Ų | 132 | 64.2 Ų | 64.2 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.5 | 174.1 | -55.8 | -35.8 | 0 | 0 | 0 | 112.9 | G141 L142 | G141-D144 PolarHBondContact O-N 3.06Å; L142-D144 PolarHBondContact O-N 2.79Å |
| 145 | G | 88.1 | Confident | 94.9 | Very high | 52 Ų | 52 | 64.2 Ų | 64.2 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | 5.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | L142 R143 | L142-G145 PolarHBondContact O-N 2.83Å; R143-G145 PolarHBondContact O-N 2.77Å |
| 146 | N | 94.2 | Very high | 94.9 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | trans | -69.5 | 158.6 | 173.4 | -59.4 | -56.4 | 0 | 0 | 0 | 111.2 | G141 L142 | G141-N146 WeakPolarHBondContact O-CB 3.48Å; G141-N146 PolarHBondContact O-N 2.75Å; G141-N146 PolarHBondContact O-ND2 3.03Å; L142-N146 WeakPolarHBondContact CD2-O 3.37Å | ||
| 147 | V | 96.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 65.6 Ų | 65.6 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.1 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V169 M170 | V147-V169 HydrophobicContact CG1-CG1 3.65Å; V147-M170 WeakPolarHBondContact CA-O 3.28Å; V147-M170 WeakPolarHBondContact CG1-O 3.39Å |
| 148 | V | 97.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.9 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 107.9 | P139 L142 E150 V169 M170 | P139-V148 HydrophobicContact CB-CG2 4.43Å; P139-V148 HydrophobicContact CG-CG2 4.17Å; L142-V148 HydrophobicContact CD2-CB 3.96Å; L142-V148 HydrophobicContact CD2-CG2 3.54Å; L142-V148 HydrophobicContact CG-CG2 3.97Å; V148-E150 HydrophobicContact CG1-CB 4.24Å; V148-E150 HydrophobicContact CG1-CG 3.91Å; V148-V169 CarbonylContact O-C 3.59Å; V148-V169 WeakPolarHBondContact O-CA 3.1Å; V148-M170 HydrophobicContact CB-CE 4.34Å; V148-M170 HydrophobicContact CG1-CE 3.96Å; V148-M170 PolarHBondContact N-O 2.67Å; V148-M170 PolarHBondContact O-N 2.85Å |
| 149 | D | 97.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 66.5 Ų | 66.5 | 54% | 0.54 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 100.6 | 171.4 | 177 | 7.5 | 0 | 0 | 0 | 108.2 | N167 V169 | D149-N167 PolarHBondContact OD1-ND2 3.38Å; D149-V169 HydrophobicContact CB-CG1 4.34Å; D149-V169 HydrophobicContact CB-CG2 3.96Å |
| 150 | E | 97.9 | Very high | 95 | Very high | 107 Ų | 107 | 70.4 Ų | 70.4 | 50% | 0.5 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.7 | -171.2 | -70.6 | -168.5 | 137.4 | 0 | 0 | 112.6 | V148 F152 N167 L168 | V148-E150 HydrophobicContact CG1-CB 4.24Å; V148-E150 HydrophobicContact CG1-CG 3.91Å; E150-F152 HydrophobicContact CB-CE2 3.94Å; E150-F152 HydrophobicContact CB-CZ 4.15Å; E150-N167 WeakPolarHBondContact O-CA 3.33Å; E150-N167 PolarHBondContact O-ND2 2.87Å; E150-L168 PolarHBondContact N-O 3.46Å; E150-L168 VanDerWaalsContact N-O 3.16Å; E150-L168 PolarHBondContact O-N 3.03Å |
| 151 | W | 98.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.6 | 170.9 | -73.1 | 86 | 0 | 0 | 0 | 109.8 | Q61 K63 M165 I166 N167 | Q61-W151 HydrophobicContact CG-CH2 3.72Å; Q61-W151 HydrophobicContact CG-CZ2 4.25Å; Q61-W151 HydrophobicContact CG-CZ3 4.5Å; K63-W151 HydrophobicContact CB-CZ3 4.4Å; K63-W151 HydrophobicContact CD-CH2 3.96Å; K63-W151 HydrophobicContact CD-CZ3 4.22Å; K63-W151 HydrophobicContact CG-CH2 3.97Å; K63-W151 HydrophobicContact CG-CZ3 4.06Å; W151-M165 HydrophobicContact CB-CB 4.49Å; W151-M165 HydrophobicContact CB-SD 4.38Å; W151-M165 HydrophobicContact CE3-CB 3.67Å; W151-M165 HydrophobicContact CZ3-CB 4.35Å; W151-I166 CarbonylContact C-O 3.55Å; W151-I166 WeakPolarHBondContact CA-O 3.26Å; W151-N167 HydrophobicContact CD2-CB 3.75Å; W151-N167 HydrophobicContact CE3-CB 3.84Å; W151-N167 HydrophobicContact CG-CB 4.41Å; W151-N167 HydrophobicContact CH2-CB 3.91Å; W151-N167 HydrophobicContact CZ2-CB 3.79Å; W151-N167 HydrophobicContact CZ3-CB 3.92Å |
| 152 | F | 98.5 | Very high | 95.8 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.8 | 177.6 | -63.6 | -91 | 0 | 0 | 0 | 109.7 | V136 E150 M165 I166 L168 M170 | V136-F152 HydrophobicContact CG1-CD1 4.06Å; V136-F152 HydrophobicContact CG1-CE1 3.64Å; V136-F152 HydrophobicContact CG1-CZ 4.01Å; V136-F152 HydrophobicContact CG2-CD1 3.88Å; V136-F152 HydrophobicContact CG2-CE1 4.32Å; V136-F152 HydrophobicContact CG2-CG 4.13Å; E150-F152 HydrophobicContact CB-CE2 3.94Å; E150-F152 HydrophobicContact CB-CZ 4.15Å; F152-M165 CarbonylContact O-C 3.43Å; F152-M165 WeakPolarHBondContact O-CA 3.37Å; F152-I166 HydrophobicContact CB-CG2 4.02Å; F152-I166 PolarHBondContact N-O 3.35Å; F152-I166 PolarHBondContact O-N 3.34Å; F152-L168 HydrophobicContact CD2-CB 4.06Å; F152-L168 HydrophobicContact CD2-CD1 3.79Å; F152-L168 HydrophobicContact CD2-CG 3.95Å; F152-L168 HydrophobicContact CE2-CB 3.92Å; F152-L168 HydrophobicContact CE2-CD1 4.1Å; F152-L168 HydrophobicContact CE2-CG 4.28Å; F152-L168 HydrophobicContact CG-CD1 4.44Å; F152-M170 HydrophobicContact CE2-CE 4.08Å; F152-M170 HydrophobicContact CZ-CE 3.66Å |
| 153 | S | 98.6 | Very high | 96 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 144.2 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | T134 D161 | T134-S153 WeakPolarHBondContact CB-O 3.27Å; T134-S153 PolarHBondContact OG1-O 3.45Å; S153-D161 WeakPolarHBondContact CB-OD1 3.47Å |
| 154 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.6 | 178.2 | -66.9 | 169.8 | 0 | 0 | 0 | 110 | L64 I119 A132 T134 D161 K162 E163 G164 I166 | L64-L154 HydrophobicContact CD2-CD1 3.71Å; I119-L154 HydrophobicContact CD1-CD1 3.64Å; I119-L154 HydrophobicContact CD1-CD2 3.99Å; A132-L154 HydrophobicContact CB-CB 4.15Å; A132-L154 HydrophobicContact CB-CD1 4.16Å; A132-L154 HydrophobicContact CB-CD2 4.38Å; A132-L154 HydrophobicContact CB-CG 4.48Å; T134-L154 HydrophobicContact CG2-CD2 3.95Å; L154-D161 CarbonylContact O-C 3.5Å; L154-D161 VanDerWaalsContact O-C 3.29Å; L154-D161 VanDerWaalsContact O-CA 3.31Å; L154-D161 WeakPolarHBondContact O-CA 3.17Å; L154-K162 PolarHBondContact O-N 2.91Å; L154-E163 HydrophobicContact CB-CB 4.07Å; L154-E163 WeakPolarHBondContact O-CA 3.06Å; L154-E163 WeakPolarHBondContact O-CB 3.49Å; L154-E163 PolarHBondContact O-N 2.88Å; L154-G164 PolarHBondContact N-O 2.96Å; L154-I166 HydrophobicContact CD1-CB 4.21Å; L154-I166 HydrophobicContact CD2-CB 4.17Å; L154-I166 HydrophobicContact CD2-CG2 3.81Å; L154-I166 HydrophobicContact CG-CB 4.32Å; L154-I166 HydrophobicContact CG-CG2 4.26Å |
| 155 | S | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 155.9 | 169.1 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | A132 W133 D160 D161 | A132-S155 CarbonylContact C-O 3.29Å; A132-S155 WeakPolarHBondContact CA-O 3.27Å; W133-S155 PolarHBondContact N-O 2.79Å; W133-S155 PolarHBondContact O-N 3.07Å; S155-D160 WeakPolarHBondContact OG-CA 3.31Å; S155-D161 PolarHBondContact OG-N 3Å |
| 156 | G | 97 | Very high | 97.5 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | -159.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W133 Q158 G159 E163 | W133-G156 VanDerWaalsContact CH2-CA 3.44Å; W133-G156 VanDerWaalsContact CZ3-CA 3.47Å; G156-Q158 PolarHBondContact O-N 2.92Å; G156-G159 PolarHBondContact N-O 3.16Å; G156-G159 PolarHBondContact O-N 3.14Å; G156-G159 VanDerWaalsContact O-N 3.1Å; G156-E163 VanDerWaalsContact CA-OE2 3.3Å; G156-E163 WeakPolarHBondContact CA-OE2 3.25Å |
| 157 | R | 95.6 | Very high | 97.7 | Very high | 136 Ų | 136 | 59.8 Ų | 59.8 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22.2 | 177.3 | -59.9 | -178.5 | -170.4 | 178.3 | 5.4 | 111.8 | Y68 D129 G159 E163 | Y68-R157 HydrophobicContact CE1-CB 4.44Å; D129-R157 VanDerWaalsContact CG-NH2 3.33Å; D129-R157 IonicContact OD2-CZ 2.75Å; D129-R157 IonicContact OD2-NH1 3.56Å; D129-R157 IonicContact OD2-NH2 3.76Å; D129-R157 PolarHBondContact OD2-NH2 3.03Å; R157-G159 PolarHBondContact O-N 3.05Å; R157-E163 PolarHBondContact N-OE2 2.94Å |
| 158 | Q | 95.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.3 | 174.9 | -62 | -71.7 | 107.4 | 0 | 0 | 113.3 | Y68 G156 K162 E163 | Y68-Q158 WeakPolarHBondContact OH-CG 3.41Å; G156-Q158 PolarHBondContact O-N 2.92Å; Q158-K162 HydrophobicContact CB-CB 4.02Å; Q158-K162 WeakPolarHBondContact O-CD 3.48Å; Q158-E163 WeakPolarHBondContact CB-OE2 3.15Å; Q158-E163 VanDerWaalsContact CG-OE2 3.32Å; Q158-E163 WeakPolarHBondContact CG-OE2 3.2Å; Q158-E163 PolarHBondContact N-OE2 2.88Å |
| 159 | G | 95.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.9 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G156 R157 K162 | G156-G159 PolarHBondContact N-O 3.16Å; G156-G159 PolarHBondContact O-N 3.14Å; G156-G159 VanDerWaalsContact O-N 3.1Å; R157-G159 PolarHBondContact O-N 3.05Å; G159-K162 PolarHBondContact O-N 2.61Å |
| 160 | D | 97.4 | Very high | 97.9 | Very high | 124 Ų | 124 | 51 Ų | 51 | 66% | 0.663 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.2 | -177.1 | -57.9 | -33.7 | 0 | 0 | 0 | 111.3 | S155 K162 | S155-D160 WeakPolarHBondContact OG-CA 3.31Å; D160-K162 WeakPolarHBondContact O-CG 3.4Å; D160-K162 PolarHBondContact O-N 3.27Å |
| 161 | D | 97.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 18.6 | -179.2 | -58.9 | -42 | 0 | 0 | 0 | 115.2 | S153 L154 S155 | S153-D161 WeakPolarHBondContact CB-OD1 3.47Å; L154-D161 CarbonylContact O-C 3.5Å; L154-D161 VanDerWaalsContact O-C 3.29Å; L154-D161 VanDerWaalsContact O-CA 3.31Å; L154-D161 WeakPolarHBondContact O-CA 3.17Å; S155-D161 PolarHBondContact OG-N 3Å |
| 162 | K | 97.9 | Very high | 97.7 | Very high | 140 Ų | 140 | 44.3 Ų | 44.3 | 61% | 0.609 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -1.7 | -175.5 | -75.7 | 170.9 | -173.5 | 178.9 | 0 | 114 | A65 L154 Q158 G159 D160 G164 | A65-K162 VanDerWaalsContact CB-O 3.24Å; A65-K162 WeakPolarHBondContact CB-O 3.22Å; L154-K162 PolarHBondContact O-N 2.91Å; Q158-K162 HydrophobicContact CB-CB 4.02Å; Q158-K162 WeakPolarHBondContact O-CD 3.48Å; G159-K162 PolarHBondContact O-N 2.61Å; D160-K162 WeakPolarHBondContact O-CG 3.4Å; D160-K162 PolarHBondContact O-N 3.27Å; K162-G164 VanDerWaalsContact C-N 3.3Å |
| 163 | E | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 1.1 | -177.3 | -149.7 | 61.7 | -121.9 | 0 | 0 | 112.7 | L64 A65 Y68 I131 A132 L154 G156 R157 Q158 | L64-E163 WeakPolarHBondContact CA-O 3.43Å; A65-E163 PolarHBondContact N-O 3.18Å; Y68-E163 WeakPolarHBondContact CE2-OE1 3.42Å; Y68-E163 VanDerWaalsContact CZ-OE1 3.25Å; Y68-E163 PolarHBondContact OH-OE1 2.9Å; Y68-E163 PolarHBondContact OH-OE2 2.79Å; Y68-E163 VanDerWaalsContact OH-OE2 3.06Å; I131-E163 WeakPolarHBondContact O-CG 3.27Å; A132-E163 HydrophobicContact CB-CB 4.14Å; A132-E163 HydrophobicContact CB-CG 3.64Å; L154-E163 HydrophobicContact CB-CB 4.07Å; L154-E163 WeakPolarHBondContact O-CA 3.06Å; L154-E163 WeakPolarHBondContact O-CB 3.49Å; L154-E163 PolarHBondContact O-N 2.88Å; G156-E163 VanDerWaalsContact CA-OE2 3.3Å; G156-E163 WeakPolarHBondContact CA-OE2 3.25Å; R157-E163 PolarHBondContact N-OE2 2.94Å; Q158-E163 WeakPolarHBondContact CB-OE2 3.15Å; Q158-E163 VanDerWaalsContact CG-OE2 3.32Å; Q158-E163 WeakPolarHBondContact CG-OE2 3.2Å; Q158-E163 PolarHBondContact N-OE2 2.88Å |
| 164 | G | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 47 Ų | 47 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.9 | -149.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | K63 L154 K162 | K63-G164 CarbonylContact O-C 3.55Å; K63-G164 WeakPolarHBondContact O-CA 3.32Å; L154-G164 PolarHBondContact N-O 2.96Å; K162-G164 VanDerWaalsContact C-N 3.3Å |
| 165 | M | 98.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 39% | 0.394 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.2 | -178.4 | -56.8 | -177.3 | -70 | 0 | 0 | 111.8 | A62 K63 W151 F152 | A62-M165 CarbonylContact C-O 3.56Å; A62-M165 WeakPolarHBondContact CA-O 3.12Å; K63-M165 PolarHBondContact N-O 2.97Å; K63-M165 PolarHBondContact O-N 3.21Å; W151-M165 HydrophobicContact CB-CB 4.49Å; W151-M165 HydrophobicContact CB-SD 4.38Å; W151-M165 HydrophobicContact CE3-CB 3.67Å; W151-M165 HydrophobicContact CZ3-CB 4.35Å; F152-M165 CarbonylContact O-C 3.43Å; F152-M165 WeakPolarHBondContact O-CA 3.37Å |
| 166 | I | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.6 | 174.2 | -170.2 | 167.1 | 0 | 0 | 0 | 110.7 | V59 A62 W100 L117 I119 T134 W151 F152 L154 L168 | V59-I166 HydrophobicContact CG1-CD1 4.01Å; A62-I166 HydrophobicContact CB-CB 4.29Å; A62-I166 HydrophobicContact CB-CG1 4.2Å; W100-I166 HydrophobicContact CZ3-CD1 4.46Å; L117-I166 HydrophobicContact CD1-CD1 3.83Å; L117-I166 HydrophobicContact CD2-CD1 3.74Å; L117-I166 HydrophobicContact CG-CD1 4.47Å; I119-I166 HydrophobicContact CD1-CD1 4.11Å; T134-I166 HydrophobicContact CG2-CG2 4.28Å; W151-I166 CarbonylContact C-O 3.55Å; W151-I166 WeakPolarHBondContact CA-O 3.26Å; F152-I166 HydrophobicContact CB-CG2 4.02Å; F152-I166 PolarHBondContact N-O 3.35Å; F152-I166 PolarHBondContact O-N 3.34Å; L154-I166 HydrophobicContact CD1-CB 4.21Å; L154-I166 HydrophobicContact CD2-CB 4.17Å; L154-I166 HydrophobicContact CD2-CG2 3.81Å; L154-I166 HydrophobicContact CG-CB 4.32Å; L154-I166 HydrophobicContact CG-CG2 4.26Å; I166-L168 HydrophobicContact CD1-CD2 4.04Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG1-CG 4.49Å; I166-L168 HydrophobicContact CG2-CG 4.37Å |
| 167 | N | 98.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.3 | 176.4 | 176.7 | -130.4 | 0 | 0 | 0 | 110.4 | V60 Q61 D149 E150 W151 | V60-N167 HydrophobicContact CB-CB 4.33Å; V60-N167 VanDerWaalsContact CB-OD1 3.3Å; V60-N167 WeakPolarHBondContact CB-OD1 3.26Å; V60-N167 WeakPolarHBondContact CG1-OD1 3.13Å; V60-N167 WeakPolarHBondContact CG2-OD1 3.4Å; V60-N167 PolarHBondContact N-O 3.45Å; V60-N167 VanDerWaalsContact N-O 3.13Å; Q61-N167 HydrophobicContact CG-CB 4.13Å; Q61-N167 PolarHBondContact O-N 2.94Å; D149-N167 PolarHBondContact OD1-ND2 3.38Å; E150-N167 WeakPolarHBondContact O-CA 3.33Å; E150-N167 PolarHBondContact O-ND2 2.87Å; W151-N167 HydrophobicContact CD2-CB 3.75Å; W151-N167 HydrophobicContact CE3-CB 3.84Å; W151-N167 HydrophobicContact CG-CB 4.41Å; W151-N167 HydrophobicContact CH2-CB 3.91Å; W151-N167 HydrophobicContact CZ2-CB 3.79Å; W151-N167 HydrophobicContact CZ3-CB 3.92Å |
| 168 | L | 98.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135 | -179.3 | -55.8 | 178.3 | 0 | 0 | 0 | 109.6 | I57 T58 V59 F115 L117 V136 E150 F152 I166 | I57-L168 HydrophobicContact CG2-CD2 4.39Å; T58-L168 WeakPolarHBondContact O-CA 3.28Å; V59-L168 HydrophobicContact CB-CD2 4.42Å; V59-L168 HydrophobicContact CG1-CD2 4.31Å; V59-L168 HydrophobicContact CG2-CD2 4.18Å; F115-L168 HydrophobicContact CE2-CD1 4.23Å; F115-L168 HydrophobicContact CZ-CD1 4.02Å; L117-L168 HydrophobicContact CD1-CD1 4.15Å; L117-L168 HydrophobicContact CD1-CD2 4Å; V136-L168 HydrophobicContact CG2-CD1 4.24Å; E150-L168 PolarHBondContact N-O 3.46Å; E150-L168 VanDerWaalsContact N-O 3.16Å; E150-L168 PolarHBondContact O-N 3.03Å; F152-L168 HydrophobicContact CD2-CB 4.06Å; F152-L168 HydrophobicContact CD2-CD1 3.79Å; F152-L168 HydrophobicContact CD2-CG 3.95Å; F152-L168 HydrophobicContact CE2-CB 3.92Å; F152-L168 HydrophobicContact CE2-CD1 4.1Å; F152-L168 HydrophobicContact CE2-CG 4.28Å; F152-L168 HydrophobicContact CG-CD1 4.44Å; I166-L168 HydrophobicContact CD1-CD2 4.04Å; I166-L168 HydrophobicContact CG1-CD2 4.01Å; I166-L168 HydrophobicContact CG1-CG 4.49Å; I166-L168 HydrophobicContact CG2-CG 4.37Å |
| 169 | V | 98.4 | Very high | 87.2 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.7 | 167.3 | -172.1 | 0 | 0 | 0 | 0 | 109 | T58 V60 V147 V148 D149 | T58-V169 WeakPolarHBondContact CB-O 3.02Å; T58-V169 PolarHBondContact N-O 2.86Å; T58-V169 PolarHBondContact O-N 3.18Å; T58-V169 PolarHBondContact OG1-O 2.96Å; V60-V169 HydrophobicContact CG2-CG2 3.83Å; V147-V169 HydrophobicContact CG1-CG1 3.65Å; V148-V169 CarbonylContact O-C 3.59Å; V148-V169 WeakPolarHBondContact O-CA 3.1Å; D149-V169 HydrophobicContact CB-CG1 4.34Å; D149-V169 HydrophobicContact CB-CG2 3.96Å |
| 170 | M | 98 | Very high | 84.9 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.5 | -174.8 | -61.9 | -177.9 | -71.1 | 0 | 0 | 111.6 | L55 S56 I57 F115 V136 L142 V147 V148 F152 | L55-M170 HydrophobicContact CD1-CB 4.49Å; S56-M170 VanDerWaalsContact O-CA 3.32Å; S56-M170 WeakPolarHBondContact O-CA 3.42Å; I57-M170 HydrophobicContact CG1-CG 4.47Å; I57-M170 HydrophobicContact CG2-CG 4.33Å; F115-M170 HydrophobicContact CE1-SD 3.66Å; F115-M170 HydrophobicContact CZ-SD 3.77Å; V136-M170 HydrophobicContact CG1-CE 4.12Å; V136-M170 HydrophobicContact CG1-SD 4.34Å; L142-M170 HydrophobicContact CD1-CB 3.71Å; L142-M170 HydrophobicContact CD2-CB 4.2Å; L142-M170 WeakPolarHBondContact CD2-O 3.37Å; V147-M170 WeakPolarHBondContact CA-O 3.28Å; V147-M170 WeakPolarHBondContact CG1-O 3.39Å; V148-M170 HydrophobicContact CB-CE 4.34Å; V148-M170 HydrophobicContact CG1-CE 3.96Å; V148-M170 PolarHBondContact N-O 2.67Å; V148-M170 PolarHBondContact O-N 2.85Å; F152-M170 HydrophobicContact CE2-CE 4.08Å; F152-M170 HydrophobicContact CZ-CE 3.66Å |
| 171 | S | 96.9 | Very high | 82.4 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 149.8 | 170.7 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | S56 | S56-S171 PolarHBondContact N-O 3.21Å; S56-S171 PolarHBondContact O-N 2.73Å |
| 172 | F | 95.6 | Very high | 79.9 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 8% | 0.075 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.8 | -179.4 | -177.2 | -87.3 | 0 | 0 | 0 | 111.3 | V52 R54 L55 V108 L142 R143 | V52-F172 HydrophobicContact CG2-CZ 4.33Å; R54-F172 WeakPolarHBondContact O-CA 3.27Å; L55-F172 HydrophobicContact CB-CD2 4.19Å; L55-F172 HydrophobicContact CD1-CB 4.42Å; L55-F172 HydrophobicContact CD1-CD2 4.43Å; V108-F172 HydrophobicContact CB-CE2 4.1Å; V108-F172 HydrophobicContact CG2-CD2 4.17Å; V108-F172 HydrophobicContact CG2-CE2 3.66Å; L142-F172 HydrophobicContact CB-CB 3.92Å; L142-F172 WeakPolarHBondContact O-CB 3.14Å; R143-F172 HydrophobicContact CB-CD1 4.32Å; R143-F172 HydrophobicContact CG-CD1 4.07Å; R143-F172 HydrophobicContact CG-CE1 4.17Å; R143-F172 HydrophobicContact CG-CG 4.43Å |
| 173 | A | 92.4 | Very high | 77.3 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | G53 R54 L175 | G53-A173 CarbonylContact C-O 3.57Å; G53-A173 VanDerWaalsContact CA-O 3.31Å; G53-A173 WeakPolarHBondContact CA-O 3.34Å; R54-A173 PolarHBondContact N-O 2.82Å; R54-A173 PolarHBondContact O-N 2.99Å; A173-L175 PolarHBondContact O-N 3.22Å |
| 174 | S | 83.8 | Confident | 75.3 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.8 | 173.4 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 175 | L | 72.7 | Confident | 73.1 | Confident | 78 Ų | 78 | 73.9 Ų | 73.9 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 122 | 170.6 | -70.5 | 170.1 | 0 | 0 | 0 | 107.7 | T51 A173 A177 | T51-L175 HydrophobicContact CG2-CD1 3.8Å; A173-L175 PolarHBondContact O-N 3.22Å; L175-A177 PolarHBondContact O-N 2.65Å |
| 176 | P | 60.8 | Low | 71 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 131.4 | 177.6 | 23.7 | -30 | 0 | 0 | 0 | 109.5 | A178 | P176-A178 PolarHBondContact O-N 3.02Š|
| 177 | A | 57.3 | Low | 68.3 | Low | 93 Ų | 93 | 80 Ų | 80 | 77% | 0.769 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -58.9 | -6.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L175 M179 | L175-A177 PolarHBondContact O-N 2.65Å; A177-M179 VanDerWaalsContact C-N 3.33Å; A177-M179 PolarHBondContact O-N 3.23Å |
| 178 | A | 49.8 | Very low | 65.5 | Low | 93 Ų | 93 | 83.1 Ų | 83.1 | 77% | 0.769 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -80.4 | -0.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P176 | P176-A178 PolarHBondContact O-N 3.02Š|
| 179 | M | 46.1 | Very low | 63.3 | Low | 156 Ų | 156 | 84.5 Ų | 84.5 | 77% | 0.768 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -119.5 | 30.1 | 178.5 | -56.6 | -166.8 | -176.3 | 0 | 0 | 113.4 | A177 T181 | A177-M179 VanDerWaalsContact C-N 3.33Å; A177-M179 PolarHBondContact O-N 3.23Å; M179-T181 PolarHBondContact O-N 3.21Å |
| 180 | M | 46.5 | Very low | 60.6 | Low | 133 Ų | 133 | 88.9 Ų | 88.9 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | trans | -67.3 | 86.4 | 153.7 | -70.3 | -165 | -177.7 | 0 | 0 | 107.1 | N50 Q182 | N50-M180 WeakPolarHBondContact OD1-CE 3.31Å; M180-Q182 PolarHBondContact O-N 3.44Å | ||
| 181 | T | 45.8 | Very low | 58.1 | Low | 127 Ų | 127 | 95.8 Ų | 95.8 | 78% | 0.779 | 56% | 0.564 | S | S | * | * | trans | -53.1 | 108.5 | 168.1 | 48.9 | 0 | 0 | 0 | 0 | 106.8 | M179 | M179-T181 PolarHBondContact O-N 3.21Š| ||
| 182 | Q | 44.8 | Very low | 55.8 | Low | 165 Ų | 165 | 103 Ų | 103 | 77% | 0.771 | 59% | 0.592 | S | S | * | * | trans | -58.4 | 133.2 | 168.9 | -66.4 | -148.6 | 9.5 | 0 | 0 | 107.4 | M180 V184 | M180-Q182 PolarHBondContact O-N 3.44Å; Q182-V184 PolarHBondContact O-N 2.78Å | ||
| 183 | P | 44.2 | Very low | 53.5 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -59.3 | 115.5 | 176.2 | 23.4 | -30.8 | 0 | 0 | 0 | 107.8 | V185 | P183-V185 PolarHBondContact O-N 3.26Š| ||
| 184 | V | 55.2 | Low | 51.7 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | trans | -69.2 | 106.3 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 106.5 | Q182 L186 P199 | Q182-V184 PolarHBondContact O-N 2.78Å; V184-L186 HydrophobicContact CG1-CD2 4.41Å; V184-L186 PolarHBondContact O-N 2.68Å; V184-P199 HydrophobicContact CG1-CB 3.56Å | ||
| 185 | V | 51.7 | Low | 49.6 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | trans | -78.5 | 108.5 | 175 | -168.8 | 0 | 0 | 0 | 0 | 107.4 | P183 M187 | P183-V185 PolarHBondContact O-N 3.26Å; V185-M187 HydrophobicContact CG1-CE 4.17Å; V185-M187 PolarHBondContact O-N 2.97Å | ||
| 186 | L | 54.2 | Low | 48.6 | Very low | 94 Ų | 94 | 110.4 Ų | 110.4 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 107.6 | 170 | -66.5 | 170.8 | 0 | 0 | 0 | 107.8 | V184 Y197 P199 | V184-L186 HydrophobicContact CG1-CD2 4.41Å; V184-L186 PolarHBondContact O-N 2.68Å; L186-Y197 HydrophobicContact CB-CD1 4.28Å; L186-P199 HydrophobicContact CD2-CB 4.2Å |
| 187 | M | 41.9 | Very low | 47.9 | Very low | 113 Ų | 113 | 114 Ų | 114 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 129 | 169.2 | -86.9 | -75.7 | 141 | 0 | 0 | 109.1 | V185 S189 | V185-M187 HydrophobicContact CG1-CE 4.17Å; V185-M187 PolarHBondContact O-N 2.97Å; M187-S189 PolarHBondContact O-N 3.32Å; M187-S189 VanDerWaalsContact O-N 3.16Å |
| 188 | P | 40.6 | Very low | 47.6 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 51% | 0.506 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.6 | 109.2 | 172.8 | 27.2 | -29.8 | 0 | 0 | 0 | 108.9 | ||
| 189 | S | 52 | Low | 47.3 | Very low | 30 Ų | 30 | 112.1 Ų | 112.1 | 21% | 0.21 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.6 | 169.1 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | M187 Y191 G196 | M187-S189 PolarHBondContact O-N 3.32Å; M187-S189 VanDerWaalsContact O-N 3.16Å; S189-Y191 PolarHBondContact O-N 2.86Å; S189-Y191 WeakPolarHBondContact OG-CE2 3.48Å; S189-G196 PolarHBondContact OG-O 2.5Å |
| 190 | V | 42.1 | Very low | 47.5 | Very low | 125 Ų | 125 | 110 Ų | 110 | 76% | 0.758 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 105.4 | 174.8 | -176 | 0 | 0 | 0 | 0 | 107.9 | ||
| 191 | Y | 46.6 | Very low | 47.6 | Very low | 147 Ų | 147 | 107.7 Ų | 107.7 | 58% | 0.576 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 138.1 | 163.2 | -65.9 | -81.2 | 0 | 0 | 0 | 107.9 | S189 E193 G194 | S189-Y191 PolarHBondContact O-N 2.86Å; S189-Y191 WeakPolarHBondContact OG-CE2 3.48Å; Y191-E193 PolarHBondContact O-N 3.47Å; Y191-E193 VanDerWaalsContact O-N 3.07Å; Y191-G194 PolarHBondContact N-O 3.16Å; Y191-G194 PolarHBondContact O-N 3.39Å |
| 192 | Q | 48.3 | Very low | 47.5 | Very low | 198 Ų | 198 | 104.9 Ų | 104.9 | 93% | 0.925 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 116.8 | 174.1 | -130.2 | 173.3 | 2.8 | 0 | 0 | 107.5 | ||
| 193 | E | 46.3 | Very low | 47.3 | Very low | 211 Ų | 211 | 108.7 Ų | 108.7 | 99% | 0.986 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.5 | 23.6 | -170.7 | -52.7 | -142.7 | 145.7 | 0 | 0 | 118.9 | Y191 | Y191-E193 PolarHBondContact O-N 3.47Å; Y191-E193 VanDerWaalsContact O-N 3.07Å |
| 194 | G | 54.4 | Low | 46.8 | Very low | 43 Ų | 43 | 109.9 Ų | 109.9 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 162.4 | 141.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y191 G196 | Y191-G194 PolarHBondContact N-O 3.16Å; Y191-G194 PolarHBondContact O-N 3.39Å; G194-G196 PolarHBondContact O-N 2.93Å |
| 195 | V | 39.9 | Very low | 45.9 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.4 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 196 | G | 51.9 | Low | 45.3 | Very low | 30 Ų | 30 | 110.4 Ų | 110.4 | 31% | 0.309 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S189 G194 | S189-G196 PolarHBondContact OG-O 2.5Å; G194-G196 PolarHBondContact O-N 2.93Å |
| 197 | Y | 46.3 | Very low | 44.2 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 123 | 172.9 | -65.5 | -83 | 0 | 0 | 0 | 109.6 | L186 | L186-Y197 HydrophobicContact CB-CD1 4.28Å |
| 198 | V | 51.1 | Low | 43.8 | Very low | 57 Ų | 57 | 115.8 Ų | 115.8 | 35% | 0.345 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.4 | 172.8 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | I200 | V198-I200 PolarHBondContact O-N 3.04Å |
| 199 | P | 44.3 | Very low | 43.4 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 58% | 0.584 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 113 | 172 | 28.9 | -31.1 | 0 | 0 | 0 | 109.1 | V184 L186 A201 | V184-P199 HydrophobicContact CG1-CB 3.56Å; L186-P199 HydrophobicContact CD2-CB 4.2Å; P199-A201 PolarHBondContact O-N 3.34Å |
| 200 | I | 49.1 | Very low | 42.4 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | trans | -88.3 | 96.5 | 172.1 | -65.4 | 177.8 | 0 | 0 | 0 | 107.8 | V198 | V198-I200 PolarHBondContact O-N 3.04Š| ||
| 201 | A | 49.1 | Very low | 42 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | trans | -79.6 | 135.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | P199 R203 | P199-A201 PolarHBondContact O-N 3.34Å; A201-R203 PolarHBondContact O-N 2.89Å | ||
| 202 | G | 44.7 | Very low | 41.5 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -51.6 | 124.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 203 | R | 39.8 | Very low | 40.9 | Very low | 245 Ų | 245 | 122 Ų | 122 | 93% | 0.925 | 71% | 0.708 | S | S | * | * | trans | -20.4 | 120.4 | 177.2 | -68.8 | -179.5 | 176.6 | -145.1 | 0.2 | 116.7 | A201 | A201-R203 PolarHBondContact O-N 2.89Š| ||
| 204 | V | 34.5 | Very low | 40.6 | Very low | 138 Ų | 138 | 118 Ų | 118 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | trans | -134.5 | 124.8 | 143.8 | -92.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 205 | P | 35.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | -87.4 | 126.7 | -176.3 | 32.1 | -29.9 | 0 | 0 | 0 | 112 | ||||
| 206 | G | 38.9 | Very low | 39.7 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | 80.1 | 126.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 207 | V | 30.2 | Very low | 38.9 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | 165 | 105.7 | 119.4 | 166 | 0 | 0 | 0 | 0 | 108 | |||||
| 208 | Y | 33.8 | Very low | 38.5 | Very low | 201 Ų | 201 | 127.6 Ų | 127.6 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | trans | 1.3 | 131.3 | 153.4 | -9.5 | -83.9 | 0 | 0 | 0 | 118.4 | ||||
| 209 | N | 32.6 | Very low | 37.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | -156 | 142.7 | 118.9 | -139.3 | -0.3 | 0 | 0 | 0 | 114.2 | |||||
| 210 | Q | 31.3 | Very low | 37.3 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -80.3 | 150.2 | -176.6 | -72.6 | 167.9 | -79 | 0 | 0 | 113 | ||||
| 211 | G | 34 | Very low | 36.7 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | 106.8 | 95.5 | 127.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 212 | V | 34.8 | Very low | 36.2 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -152.2 | 129.1 | 135.4 | -81.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 213 | V | 36.9 | Very low | 35.7 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 146.5 | 177.5 | -73.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 214 | P | 38.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 134 | -178.8 | 32.2 | -27.3 | 0 | 0 | 0 | 111.9 | ||
| 215 | M | 35.8 | Very low | 35.7 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86 | 126.8 | 169.4 | -95.1 | -73.8 | -106.5 | 0 | 0 | 110.4 | ||
| 216 | A | 41 | Very low | 36.1 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 146.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 217 | V | 35.1 | Very low | 35.7 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -141.8 | 149.5 | 159.9 | -104.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 218 | P | 37.9 | Very low | 35.9 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -88.9 | 155.2 | -144.2 | 0.4 | 18 | 0 | 0 | 0 | 114.3 | ||||
| 219 | S | 34.1 | Very low | 36.5 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -55.8 | 129.6 | 172.1 | 46.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 220 | S | 36.4 | Very low | 37 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -125.7 | 99.6 | 143.7 | 58.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 221 | M | 36.1 | Very low | 37.9 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -70.3 | 147.4 | 165.4 | -66.4 | -158.4 | -173.2 | 0 | 0 | 109.6 | ||||
| 222 | P | 38.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -106.8 | 152.1 | 124.7 | -10 | 27.9 | 0 | 0 | 0 | 110.9 | |||||
| 223 | A | 34.4 | Very low | 40.5 | Very low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | -63.8 | 149.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G225 | A223-G225 PolarHBondContact O-N 3.3Š| ||
| 224 | M | 41.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 118.9 Ų | 118.9 | 96% | 0.961 | 75% | 0.745 | S | S | * | * | trans | -12 | 116.6 | 149.6 | -94.9 | 169 | 60.9 | 0 | 0 | 115.4 | ||||
| 225 | G | 32.1 | Very low | 43.5 | Very low | 74 Ų | 74 | 114.9 Ų | 114.9 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | trans | -140.6 | 96.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | A223 Q227 | A223-G225 PolarHBondContact O-N 3.3Å; G225-Q227 PolarHBondContact O-N 3.29Å | ||
| 226 | G | 43.3 | Very low | 45.4 | Very low | 78 Ų | 78 | 107.5 Ų | 107.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -69.2 | 122.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 227 | Q | 30.6 | Very low | 47 | Very low | 168 Ų | 168 | 106.9 Ų | 106.9 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -142.8 | 110.5 | 155.1 | -73.5 | -172.6 | -24.8 | 0 | 0 | 106.2 | G225 V230 | G225-Q227 PolarHBondContact O-N 3.29Å; Q227-V230 HydrophobicContact CB-CG2 4.24Å; Q227-V230 HydrophobicContact CG-CG2 4.33Å | ||
| 228 | G | 36 | Very low | 49.1 | Very low | 57 Ų | 57 | 101.7 Ų | 101.7 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | trans | -56.5 | 168.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V230 | G228-V230 VanDerWaalsContact C-N 3.32Å; G228-V230 WeakPolarHBondContact O-CG2 3.33Å; G228-V230 PolarHBondContact O-N 3.48Å | ||
| 229 | P | 44.7 | Very low | 51 | Low | 134 Ų | 134 | 96 Ų | 96 | 87% | 0.87 | 60% | 0.597 | S | S | * | * | trans | -57.9 | 103.1 | 175.7 | -11.3 | 25.1 | 0 | 0 | 0 | 107.4 | C231 | P229-C231 PolarHBondContact O-N 3.41Š| ||
| 230 | V | 44.1 | Very low | 53.1 | Low | 98 Ų | 98 | 91.9 Ų | 91.9 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | trans | -72.5 | 113.1 | 172.6 | 179.8 | 0 | 0 | 0 | 0 | 103.1 | Q227 G228 S232 | Q227-V230 HydrophobicContact CB-CG2 4.24Å; Q227-V230 HydrophobicContact CG-CG2 4.33Å; G228-V230 VanDerWaalsContact C-N 3.32Å; G228-V230 WeakPolarHBondContact O-CG2 3.33Å; G228-V230 PolarHBondContact O-N 3.48Å; V230-S232 PolarHBondContact O-N 2.97Å | ||
| 231 | C | 51.1 | Low | 55.2 | Low | 53 Ų | 53 | 91.8 Ų | 91.8 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | trans | -45 | 107.8 | 168.7 | -90.5 | 0 | 0 | 0 | 0 | 108.3 | P229 E233 | P229-C231 PolarHBondContact O-N 3.41Å; C231-E233 PolarHBondContact O-N 3.27Å | ||
| 232 | S | 58.5 | Low | 57.1 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 31% | 0.308 | 54% | 0.537 | S | S | . | . | trans | -66.8 | 122.8 | -178.2 | -0.6 | 0 | 0 | 0 | 0 | 108 | V230 E234 D235 L236 | V230-S232 PolarHBondContact O-N 2.97Å; S232-E234 PolarHBondContact O-N 3.17Å; S232-D235 WeakPolarHBondContact CB-OD2 3.16Å; S232-D235 WeakPolarHBondContact O-CB 3.29Å; S232-D235 PolarHBondContact O-N 3.49Å; S232-D235 PolarHBondContact OG-OD2 3.27Å; S232-L236 PolarHBondContact O-N 3.45Å | ||
| 233 | E | 63.3 | Low | 59.1 | Low | 151 Ų | 151 | 83.2 Ų | 83.2 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.3 | -21.2 | 173.8 | -169.4 | 147 | -172.2 | 0 | 0 | 112.1 | C231 L236 Q237 | C231-E233 PolarHBondContact O-N 3.27Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-Q237 PolarHBondContact O-N 3.44Å |
| 234 | E | 68 | Low | 61.2 | Low | 159 Ų | 159 | 83.2 Ų | 83.2 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | 169.5 | -59.8 | 173.2 | 170.8 | 0 | 0 | 112.9 | S232 Q237 A238 | S232-E234 PolarHBondContact O-N 3.17Å; E234-Q237 PolarHBondContact O-N 3.37Å; E234-A238 WeakPolarHBondContact O-CB 3.5Å; E234-A238 PolarHBondContact O-N 3.38Å |
| 235 | D | 71.9 | Confident | 62.7 | Low | 44 Ų | 44 | 81.7 Ų | 81.7 | 24% | 0.235 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -74.5 | -35.9 | 178.9 | -70.1 | -49.7 | 0 | 0 | 0 | 111.8 | S232 Q237 A238 L239 L255 K262 | S232-D235 WeakPolarHBondContact CB-OD2 3.16Å; S232-D235 WeakPolarHBondContact O-CB 3.29Å; S232-D235 PolarHBondContact O-N 3.49Å; S232-D235 PolarHBondContact OG-OD2 3.27Å; D235-Q237 VanDerWaalsContact C-N 3.33Å; D235-A238 PolarHBondContact O-N 3.11Å; D235-L239 WeakPolarHBondContact O-CB 2.77Å; D235-L239 VanDerWaalsContact O-CG 3.28Å; D235-L239 WeakPolarHBondContact O-CG 3.24Å; D235-L239 PolarHBondContact O-N 3.12Å; D235-L255 HydrophobicContact CB-CD2 4.22Å; D235-K262 IonicContact OD1-NZ 3.24Å |
| 236 | L | 75.3 | Confident | 64.8 | Low | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 171.3 | -72.7 | 176.4 | 0 | 0 | 0 | 111.5 | S232 E233 L239 Q240 V251 R252 L255 | S232-L236 PolarHBondContact O-N 3.45Å; E233-L236 PolarHBondContact O-N 3.49Å; L236-L239 PolarHBondContact O-N 3.09Å; L236-Q240 WeakPolarHBondContact O-CB 3.35Å; L236-Q240 PolarHBondContact O-N 3.06Å; L236-V251 HydrophobicContact CD2-CG1 4.35Å; L236-R252 HydrophobicContact CD1-CB 4.45Å; L236-R252 HydrophobicContact CD1-CG 4.2Å; L236-R252 HydrophobicContact CD2-CB 3.99Å; L236-R252 HydrophobicContact CD2-CG 4.34Å; L236-L255 HydrophobicContact CD2-CB 4.03Å; L236-L255 HydrophobicContact CD2-CD2 3.43Å; L236-L255 VanDerWaalsContact CD2-CD2 3.43Å; L236-L255 HydrophobicContact CD2-CG 4.37Å; L236-L255 HydrophobicContact CG-CD2 3.78Å |
| 237 | Q | 75.1 | Confident | 66.6 | Low | 80 Ų | 80 | 81.4 Ų | 81.4 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 177.8 | -170.6 | 59 | 40.7 | 0 | 0 | 111.4 | E233 E234 D235 L239 Q240 D241 | E233-Q237 PolarHBondContact O-N 3.44Å; E234-Q237 PolarHBondContact O-N 3.37Å; D235-Q237 VanDerWaalsContact C-N 3.33Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 3.34Å; Q237-Q240 PolarHBondContact O-N 3.3Å; Q237-D241 PolarHBondContact NE2-OD1 3.29Å; Q237-D241 PolarHBondContact O-N 3.36Å |
| 238 | A | 78.5 | Confident | 68.8 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E234 D235 M242 | E234-A238 WeakPolarHBondContact O-CB 3.5Å; E234-A238 PolarHBondContact O-N 3.38Å; D235-A238 PolarHBondContact O-N 3.11Å; A238-M242 WeakPolarHBondContact O-CG 3.47Å; A238-M242 PolarHBondContact O-N 3.34Å |
| 239 | L | 77.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 174.9 | -70.3 | 168.8 | 0 | 0 | 0 | 111.7 | D235 L236 Q237 D241 M242 F243 V251 L255 K262 A265 I266 | D235-L239 WeakPolarHBondContact O-CB 2.77Å; D235-L239 VanDerWaalsContact O-CG 3.28Å; D235-L239 WeakPolarHBondContact O-CG 3.24Å; D235-L239 PolarHBondContact O-N 3.12Å; L236-L239 PolarHBondContact O-N 3.09Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 3.34Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.92Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; L239-M242 PolarHBondContact O-N 3.39Å; L239-F243 WeakPolarHBondContact O-CD2 3.42Å; L239-F243 PolarHBondContact O-N 2.73Å; L239-V251 HydrophobicContact CB-CG1 3.51Å; L239-V251 HydrophobicContact CD1-CG1 4.19Å; L239-V251 HydrophobicContact CG-CG1 4.49Å; L239-L255 HydrophobicContact CD1-CB 4.47Å; L239-L255 HydrophobicContact CD1-CD1 3.84Å; L239-L255 HydrophobicContact CD1-CD2 4.18Å; L239-L255 HydrophobicContact CD1-CG 4.39Å; L239-K262 HydrophobicContact CD2-CG 4.25Å; L239-A265 HydrophobicContact CD1-CB 4.26Å; L239-I266 HydrophobicContact CD2-CD1 4.1Å; L239-I266 HydrophobicContact CD2-CG1 3.36Å |
| 240 | Q | 78.7 | Confident | 72.3 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.7 | -38 | 175 | -172.5 | 64.4 | 51.7 | 0 | 0 | 112.4 | L236 Q237 M242 F243 L246 K248 | L236-Q240 WeakPolarHBondContact O-CB 3.35Å; L236-Q240 PolarHBondContact O-N 3.06Å; Q237-Q240 PolarHBondContact O-N 3.3Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.43Å; Q240-F243 PolarHBondContact NE2-O 3.04Å; Q240-F243 CarbonylContact O-C 3.55Å; Q240-F243 VanDerWaalsContact O-C 3.23Å; Q240-F243 PolarHBondContact O-N 3.24Å; Q240-L246 PolarHBondContact NE2-O 3.17Å; Q240-K248 HydrophobicContact CG-CG 3.99Å; Q240-K248 VanDerWaalsContact OE1-CA 3.29Å |
| 241 | D | 79.9 | Confident | 74 | Confident | 111 Ų | 111 | 75 Ų | 75 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.4 | -31.9 | 178.1 | -72.8 | -3 | 0 | 0 | 0 | 111.9 | Q237 L239 | Q237-D241 PolarHBondContact NE2-OD1 3.29Å; Q237-D241 PolarHBondContact O-N 3.36Å; L239-D241 VanDerWaalsContact C-N 3.31Å; L239-D241 PolarHBondContact O-N 2.92Å |
| 242 | M | 76.8 | Confident | 75.3 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.8 | -27.8 | 175.2 | -65.9 | -161.8 | -54 | 0 | 0 | 113.2 | A238 L239 Q240 P244 I266 | A238-M242 WeakPolarHBondContact O-CG 3.47Å; A238-M242 PolarHBondContact O-N 3.34Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; L239-M242 PolarHBondContact O-N 3.39Å; Q240-M242 VanDerWaalsContact C-N 3.31Å; Q240-M242 PolarHBondContact O-N 3.43Å; M242-P244 VanDerWaalsContact C-CD 3.47Å; M242-P244 WeakPolarHBondContact O-CD 3.44Å; M242-I266 HydrophobicContact CE-CD1 3.6Å; M242-I266 HydrophobicContact CE-CG1 3.65Å |
| 243 | F | 80.5 | Confident | 76.2 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 11% | 0.105 | 41% | 0.407 | C | S | . | . | trans | -125.7 | 67.8 | -178.6 | -59.3 | -78.8 | 0 | 0 | 0 | 111.8 | L239 Q240 N245 L246 I266 L269 L270 | L239-F243 WeakPolarHBondContact O-CD2 3.42Å; L239-F243 PolarHBondContact O-N 2.73Å; Q240-F243 PolarHBondContact NE2-O 3.04Å; Q240-F243 CarbonylContact O-C 3.55Å; Q240-F243 VanDerWaalsContact O-C 3.23Å; Q240-F243 PolarHBondContact O-N 3.24Å; F243-N245 PolarHBondContact O-N 3.46Å; F243-N245 VanDerWaalsContact O-N 3.09Å; F243-L246 HydrophobicContact CB-CB 4.14Å; F243-L246 HydrophobicContact CB-CD1 3.68Å; F243-L246 HydrophobicContact CB-CG 4.32Å; F243-L246 HydrophobicContact CD1-CD1 4Å; F243-L246 HydrophobicContact CG-CD1 3.93Å; F243-L246 PolarHBondContact O-N 2.95Å; F243-L246 VanDerWaalsContact O-N 3.09Å; F243-I266 HydrophobicContact CZ-CG2 4.4Å; F243-L269 HydrophobicContact CD2-CB 4.37Å; F243-L269 HydrophobicContact CD2-CD1 4.19Å; F243-L269 HydrophobicContact CE2-CB 4.13Å; F243-L269 HydrophobicContact CE2-CD1 4.34Å; F243-L269 HydrophobicContact CZ-CB 4.25Å; F243-L270 HydrophobicContact CE1-CD2 3.75Å; F243-L270 HydrophobicContact CE1-CG 4.11Å; F243-L270 HydrophobicContact CZ-CD2 3.89Å; F243-L270 HydrophobicContact CZ-CG 3.85Å | ||
| 244 | P | 76.8 | Confident | 77 | Confident | 93 Ų | 93 | 74 Ų | 74 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.5 | -176.4 | 26.7 | -35.5 | 0 | 0 | 0 | 113.7 | M242 | M242-P244 VanDerWaalsContact C-CD 3.47Å; M242-P244 WeakPolarHBondContact O-CD 3.44Å |
| 245 | N | 74.5 | Confident | 77.5 | Confident | 162 Ų | 162 | 66.5 Ų | 66.5 | 87% | 0.866 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.5 | 178.9 | -62.4 | -23.6 | 0 | 0 | 0 | 113.5 | F243 | F243-N245 PolarHBondContact O-N 3.46Å; F243-N245 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 76.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -101.6 | 140.3 | 179.7 | -79.3 | 164.8 | 0 | 0 | 0 | 110.7 | Q240 F243 V251 L269 T273 | Q240-L246 PolarHBondContact NE2-O 3.17Å; F243-L246 HydrophobicContact CB-CB 4.14Å; F243-L246 HydrophobicContact CB-CD1 3.68Å; F243-L246 HydrophobicContact CB-CG 4.32Å; F243-L246 HydrophobicContact CD1-CD1 4Å; F243-L246 HydrophobicContact CG-CD1 3.93Å; F243-L246 PolarHBondContact O-N 2.95Å; F243-L246 VanDerWaalsContact O-N 3.09Å; L246-V251 HydrophobicContact CB-CG2 4.23Å; L246-L269 HydrophobicContact CD1-CB 4.33Å; L246-L269 HydrophobicContact CD1-CD2 4.06Å; L246-T273 HydrophobicContact CD1-CG2 3.49Å; L246-T273 VanDerWaalsContact CD1-CG2 3.49Å; L246-T273 HydrophobicContact CD2-CG2 4.13Å; L246-T273 HydrophobicContact CG-CG2 3.85Å |
| 247 | D | 81 | Confident | 77.9 | Confident | 123 Ų | 123 | 72 Ų | 72 | 66% | 0.658 | 38% | 0.381 | S | S | * | . | trans | -66.6 | 138.8 | 178.8 | -78.1 | -43.6 | 0 | 0 | 0 | 112 | E249 V250 V251 | D247-E249 PolarHBondContact O-N 2.97Å; D247-E249 VanDerWaalsContact O-N 3.09Å; D247-V250 HydrophobicContact CB-CG2 4.14Å; D247-V250 WeakPolarHBondContact O-CB 3.26Å; D247-V250 PolarHBondContact O-N 3.26Å; D247-V251 PolarHBondContact O-N 2.92Å | ||
| 248 | K | 77 | Confident | 78 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 53% | 0.53 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53.5 | -33.1 | 179.7 | -93.9 | -168.7 | 172 | -166 | 0 | 113.5 | Q240 R252 | Q240-K248 HydrophobicContact CG-CG 3.99Å; Q240-K248 VanDerWaalsContact OE1-CA 3.29Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 2.9Å |
| 249 | E | 75.2 | Confident | 77.7 | Confident | 150 Ų | 150 | 78.7 Ų | 78.7 | 70% | 0.701 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72.8 | -32.1 | 179.9 | -61.4 | -164.3 | 148.2 | 0 | 0 | 112.5 | D247 T253 | D247-E249 PolarHBondContact O-N 2.97Å; D247-E249 VanDerWaalsContact O-N 3.09Å; E249-T253 WeakPolarHBondContact O-CB 3.35Å; E249-T253 PolarHBondContact O-N 3.01Å; E249-T253 PolarHBondContact O-OG1 2.9Å |
| 250 | V | 78.1 | Confident | 77.1 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | D247 R252 T253 V254 M272 | D247-V250 HydrophobicContact CB-CG2 4.14Å; D247-V250 WeakPolarHBondContact O-CB 3.26Å; D247-V250 PolarHBondContact O-N 3.26Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.27Å; V250-T253 PolarHBondContact O-N 3.26Å; V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.04Å; V250-M272 HydrophobicContact CG1-CE 4.35Å |
| 251 | V | 79.2 | Confident | 77 | Confident | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.006 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L236 L239 L246 D247 L255 L269 | L236-V251 HydrophobicContact CD2-CG1 4.35Å; L239-V251 HydrophobicContact CB-CG1 3.51Å; L239-V251 HydrophobicContact CD1-CG1 4.19Å; L239-V251 HydrophobicContact CG-CG1 4.49Å; L246-V251 HydrophobicContact CB-CG2 4.23Å; D247-V251 PolarHBondContact O-N 2.92Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 PolarHBondContact O-N 2.81Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CD1 4.28Å; V251-L269 HydrophobicContact CG2-CD2 4.49Å |
| 252 | R | 78.3 | Confident | 76.9 | Confident | 118 Ų | 118 | 80.9 Ų | 80.9 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 174.9 | -176.6 | -176.6 | -70.7 | 175.7 | -4.9 | 112.5 | L236 K248 V250 V254 L255 E256 | L236-R252 HydrophobicContact CD1-CB 4.45Å; L236-R252 HydrophobicContact CD1-CG 4.2Å; L236-R252 HydrophobicContact CD2-CB 3.99Å; L236-R252 HydrophobicContact CD2-CG 4.34Å; K248-R252 WeakPolarHBondContact O-CB 3.4Å; K248-R252 PolarHBondContact O-N 2.9Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 3.27Å; R252-V254 VanDerWaalsContact C-N 3.31Å; R252-V254 PolarHBondContact O-N 3.04Å; R252-L255 PolarHBondContact O-N 3.15Å; R252-E256 HydrophobicContact CG-CG 4.34Å; R252-E256 WeakPolarHBondContact CG-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CB 3.38Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 3.06Å |
| 253 | T | 78.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 81.6 Ų | 81.6 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | -179 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | E249 V250 A257 | E249-T253 WeakPolarHBondContact O-CB 3.35Å; E249-T253 PolarHBondContact O-N 3.01Å; E249-T253 PolarHBondContact O-OG1 2.9Å; V250-T253 PolarHBondContact O-N 3.26Å; T253-A257 VanDerWaalsContact O-CB 3.29Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 3.4Å |
| 254 | V | 78.6 | Confident | 77 | Confident | 19 Ų | 19 | 81.8 Ų | 81.8 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.9 | -40.7 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | V250 R252 A257 Q258 A265 L269 M272 | V250-V254 WeakPolarHBondContact O-CG2 3.41Å; V250-V254 PolarHBondContact O-N 3.04Å; R252-V254 VanDerWaalsContact C-N 3.31Å; R252-V254 PolarHBondContact O-N 3.04Å; V254-A257 PolarHBondContact O-N 3.39Å; V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.4Å; V254-A265 HydrophobicContact CG1-CB 4.19Å; V254-L269 HydrophobicContact CB-CD2 4.17Å; V254-L269 HydrophobicContact CB-CG 4.46Å; V254-L269 HydrophobicContact CG1-CD2 4.32Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V254-L269 HydrophobicContact CG2-CD2 3.95Å; V254-M272 HydrophobicContact CG2-SD 4.24Å |
| 255 | L | 79 | Confident | 77.2 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 177.2 | -170.8 | 65.1 | 0 | 0 | 0 | 112.1 | D235 L236 L239 V251 R252 Q258 Q259 G260 A265 | D235-L255 HydrophobicContact CB-CD2 4.22Å; L236-L255 HydrophobicContact CD2-CB 4.03Å; L236-L255 HydrophobicContact CD2-CD2 3.43Å; L236-L255 VanDerWaalsContact CD2-CD2 3.43Å; L236-L255 HydrophobicContact CD2-CG 4.37Å; L236-L255 HydrophobicContact CG-CD2 3.78Å; L239-L255 HydrophobicContact CD1-CB 4.47Å; L239-L255 HydrophobicContact CD1-CD1 3.84Å; L239-L255 HydrophobicContact CD1-CD2 4.18Å; L239-L255 HydrophobicContact CD1-CG 4.39Å; V251-L255 WeakPolarHBondContact O-CB 3.31Å; V251-L255 PolarHBondContact O-N 2.81Å; R252-L255 PolarHBondContact O-N 3.15Å; L255-Q258 CarbonylContact O-C 3.23Å; L255-Q258 PolarHBondContact O-N 3.06Å; L255-Q259 PolarHBondContact O-N 2.96Å; L255-G260 PolarHBondContact O-N 3.48Å; L255-A265 HydrophobicContact CD1-CB 3.86Å |
| 256 | E | 77 | Confident | 77.5 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66 | -42 | 174.4 | -74.8 | 176.7 | -176.1 | 0 | 0 | 111.7 | R252 Q258 Q259 | R252-E256 HydrophobicContact CG-CG 4.34Å; R252-E256 WeakPolarHBondContact CG-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CB 3.38Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 3.06Å; E256-Q258 PolarHBondContact O-N 3.38Å; E256-Q259 PolarHBondContact O-N 3.37Å; E256-Q259 VanDerWaalsContact O-N 3.09Å |
| 257 | A | 77.9 | Confident | 77.8 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T253 V254 Q259 | T253-A257 VanDerWaalsContact O-CB 3.29Å; T253-A257 WeakPolarHBondContact O-CB 3.43Å; T253-A257 PolarHBondContact O-N 3.4Å; V254-A257 PolarHBondContact O-N 3.39Å; A257-Q259 VanDerWaalsContact C-N 3.32Å |
| 258 | Q | 78.3 | Confident | 77.8 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 15.4 | 177.8 | -59.8 | -62 | -1.2 | 0 | 0 | 113.8 | V254 L255 E256 G260 N261 A264 S268 | V254-Q258 WeakPolarHBondContact O-CG 3.28Å; V254-Q258 PolarHBondContact O-N 3.4Å; L255-Q258 CarbonylContact O-C 3.23Å; L255-Q258 PolarHBondContact O-N 3.06Å; E256-Q258 PolarHBondContact O-N 3.38Å; Q258-G260 PolarHBondContact O-N 2.98Å; Q258-G260 VanDerWaalsContact O-N 3.17Å; Q258-N261 HydrophobicContact CB-CB 4.46Å; Q258-N261 VanDerWaalsContact O-CB 3.27Å; Q258-N261 WeakPolarHBondContact O-CB 3.48Å; Q258-N261 PolarHBondContact O-N 3.2Å; Q258-A264 HydrophobicContact CB-CB 4.22Å; Q258-A264 HydrophobicContact CG-CB 4.1Å; Q258-S268 PolarHBondContact NE2-OG 3.04Å |
| 259 | Q | 72.6 | Confident | 78 | Confident | 179 Ų | 179 | 65.3 Ų | 65.3 | 84% | 0.836 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 36.2 | 178.3 | -58.9 | -177.8 | 4.3 | 0 | 0 | 113.5 | L255 E256 A257 N261 | L255-Q259 PolarHBondContact O-N 2.96Å; E256-Q259 PolarHBondContact O-N 3.37Å; E256-Q259 VanDerWaalsContact O-N 3.09Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; Q259-N261 VanDerWaalsContact C-N 3.32Å; Q259-N261 PolarHBondContact O-N 2.61Å |
| 260 | G | 63.9 | Low | 78.4 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 8.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L255 Q258 K262 | L255-G260 PolarHBondContact O-N 3.48Å; Q258-G260 PolarHBondContact O-N 2.98Å; Q258-G260 VanDerWaalsContact O-N 3.17Å; G260-K262 PolarHBondContact O-N 2.99Å |
| 261 | N | 76.9 | Confident | 78.3 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -77.6 | 101.2 | 174.1 | -170.3 | -29.3 | 0 | 0 | 0 | 111 | Q258 Q259 D263 A264 A265 | Q258-N261 HydrophobicContact CB-CB 4.46Å; Q258-N261 VanDerWaalsContact O-CB 3.27Å; Q258-N261 WeakPolarHBondContact O-CB 3.48Å; Q258-N261 PolarHBondContact O-N 3.2Å; Q259-N261 VanDerWaalsContact C-N 3.32Å; Q259-N261 PolarHBondContact O-N 2.61Å; N261-D263 PolarHBondContact O-N 3.05Å; N261-D263 PolarHBondContact OD1-N 3.47Å; N261-A264 HydrophobicContact CB-CB 4.08Å; N261-A264 PolarHBondContact O-N 2.88Å; N261-A264 PolarHBondContact OD1-N 3.3Å; N261-A265 PolarHBondContact O-N 3.05Å | ||
| 262 | K | 78.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 30% | 0.3 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | -177.9 | -175.3 | 176.6 | -179.6 | 168 | 0 | 113.4 | D235 L239 G260 A264 A265 I266 | D235-K262 IonicContact OD1-NZ 3.24Å; L239-K262 HydrophobicContact CD2-CG 4.25Å; G260-K262 PolarHBondContact O-N 2.99Å; K262-A264 PolarHBondContact O-N 3.2Å; K262-A265 PolarHBondContact O-N 2.73Å; K262-I266 HydrophobicContact CG-CD1 3.96Å; K262-I266 VanDerWaalsContact O-CG1 3.24Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.42Å |
| 263 | D | 80.6 | Confident | 77.2 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.8 | -36.8 | -176.5 | -61.6 | -53.2 | 0 | 0 | 0 | 111.9 | N261 N267 | N261-D263 PolarHBondContact O-N 3.05Å; N261-D263 PolarHBondContact OD1-N 3.47Å; D263-N267 PolarHBondContact O-N 2.85Å; D263-N267 PolarHBondContact O-ND2 3.48Å |
| 264 | A | 79.7 | Confident | 76.5 | Confident | 27 Ų | 27 | 70 Ų | 70 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q258 N261 K262 I266 N267 S268 | Q258-A264 HydrophobicContact CB-CB 4.22Å; Q258-A264 HydrophobicContact CG-CB 4.1Å; N261-A264 HydrophobicContact CB-CB 4.08Å; N261-A264 PolarHBondContact O-N 2.88Å; N261-A264 PolarHBondContact OD1-N 3.3Å; K262-A264 PolarHBondContact O-N 3.2Å; A264-I266 PolarHBondContact O-N 2.96Å; A264-N267 PolarHBondContact O-N 3.09Å; A264-S268 PolarHBondContact O-N 3.33Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 3.33Å |
| 265 | A | 80.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L239 V254 L255 N261 K262 S268 L269 | L239-A265 HydrophobicContact CD1-CB 4.26Å; V254-A265 HydrophobicContact CG1-CB 4.19Å; L255-A265 HydrophobicContact CD1-CB 3.86Å; N261-A265 PolarHBondContact O-N 3.05Å; K262-A265 PolarHBondContact O-N 2.73Å; A265-S268 PolarHBondContact O-N 2.95Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.4Å; A265-L269 PolarHBondContact O-N 3.06Å |
| 266 | I | 81.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 17% | 0.174 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.4 | -67 | 161.9 | 0 | 0 | 0 | 111 | L239 M242 F243 K262 A264 S268 L269 L270 | L239-I266 HydrophobicContact CD2-CD1 4.1Å; L239-I266 HydrophobicContact CD2-CG1 3.36Å; M242-I266 HydrophobicContact CE-CD1 3.6Å; M242-I266 HydrophobicContact CE-CG1 3.65Å; F243-I266 HydrophobicContact CZ-CG2 4.4Å; K262-I266 HydrophobicContact CG-CD1 3.96Å; K262-I266 VanDerWaalsContact O-CG1 3.24Å; K262-I266 WeakPolarHBondContact O-CG1 3.47Å; K262-I266 PolarHBondContact O-N 3.42Å; A264-I266 PolarHBondContact O-N 2.96Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 3.43Å; I266-L269 PolarHBondContact O-N 3.48Å; I266-L270 HydrophobicContact CG2-CD1 3.82Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.26Å |
| 267 | N | 81.4 | Confident | 73.7 | Confident | 108 Ų | 108 | 84.8 Ų | 84.8 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 179.6 | -75.9 | -58.7 | 0 | 0 | 0 | 112 | D263 A264 Q271 | D263-N267 PolarHBondContact O-N 2.85Å; D263-N267 PolarHBondContact O-ND2 3.48Å; A264-N267 PolarHBondContact O-N 3.09Å; N267-Q271 WeakPolarHBondContact O-CB 3.38Å; N267-Q271 PolarHBondContact O-N 3.43Å; N267-Q271 VanDerWaalsContact O-N 3.12Å |
| 268 | S | 81.4 | Confident | 73.4 | Confident | 35 Ų | 35 | 85.4 Ų | 85.4 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | Q258 A264 A265 I266 Q271 M272 | Q258-S268 PolarHBondContact NE2-OG 3.04Å; A264-S268 PolarHBondContact O-N 3.33Å; A264-S268 VanDerWaalsContact O-N 3.11Å; A264-S268 PolarHBondContact O-OG 3.33Å; A265-S268 PolarHBondContact O-N 2.95Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 3.43Å; S268-Q271 PolarHBondContact O-N 2.96Å; S268-M272 VanDerWaalsContact O-CG 3.31Å; S268-M272 WeakPolarHBondContact O-CG 3.4Å; S268-M272 PolarHBondContact O-N 3.24Å |
| 269 | L | 81.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | 179.1 | -69.8 | 170 | 0 | 0 | 0 | 112.6 | F243 L246 V251 V254 A265 I266 M272 T273 | F243-L269 HydrophobicContact CD2-CB 4.37Å; F243-L269 HydrophobicContact CD2-CD1 4.19Å; F243-L269 HydrophobicContact CE2-CB 4.13Å; F243-L269 HydrophobicContact CE2-CD1 4.34Å; F243-L269 HydrophobicContact CZ-CB 4.25Å; L246-L269 HydrophobicContact CD1-CB 4.33Å; L246-L269 HydrophobicContact CD1-CD2 4.06Å; V251-L269 HydrophobicContact CG1-CD1 4.22Å; V251-L269 HydrophobicContact CG2-CD1 4.28Å; V251-L269 HydrophobicContact CG2-CD2 4.49Å; V254-L269 HydrophobicContact CB-CD2 4.17Å; V254-L269 HydrophobicContact CB-CG 4.46Å; V254-L269 HydrophobicContact CG1-CD2 4.32Å; V254-L269 HydrophobicContact CG1-CG 4.15Å; V254-L269 HydrophobicContact CG2-CD2 3.95Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 VanDerWaalsContact O-CG 3.26Å; A265-L269 WeakPolarHBondContact O-CG 3.4Å; A265-L269 PolarHBondContact O-N 3.06Å; I266-L269 PolarHBondContact O-N 3.48Å; L269-M272 PolarHBondContact O-N 2.96Å; L269-T273 PolarHBondContact O-N 3.09Å; L269-T273 PolarHBondContact O-OG1 3.39Å |
| 270 | L | 82.3 | Confident | 73.2 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 172.4 | -77.2 | 167 | 0 | 0 | 0 | 111.1 | F243 I266 M272 T273 E274 | F243-L270 HydrophobicContact CE1-CD2 3.75Å; F243-L270 HydrophobicContact CE1-CG 4.11Å; F243-L270 HydrophobicContact CZ-CD2 3.89Å; F243-L270 HydrophobicContact CZ-CG 3.85Å; I266-L270 HydrophobicContact CG2-CD1 3.82Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.44Å; I266-L270 WeakPolarHBondContact O-CG 3.44Å; I266-L270 PolarHBondContact O-N 3.26Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 3.44Å; L270-T273 WeakPolarHBondContact CA-OG1 3.45Å; L270-T273 PolarHBondContact O-N 3.09Å; L270-T273 VanDerWaalsContact O-N 3.15Å; L270-T273 PolarHBondContact O-OG1 2.89Å; L270-T273 VanDerWaalsContact O-OG1 3.04Å; L270-E274 PolarHBondContact O-N 3Å |
| 271 | Q | 76.1 | Confident | 73.8 | Confident | 122 Ų | 122 | 83.9 Ų | 83.9 | 57% | 0.57 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.5 | -35.9 | 178.8 | -164.5 | 170 | 11.5 | 0 | 0 | 112.1 | N267 S268 T273 | N267-Q271 WeakPolarHBondContact O-CB 3.38Å; N267-Q271 PolarHBondContact O-N 3.43Å; N267-Q271 VanDerWaalsContact O-N 3.12Å; S268-Q271 PolarHBondContact O-N 2.96Å; Q271-T273 VanDerWaalsContact C-N 3.35Å |
| 272 | M | 69.7 | Low | 73.6 | Confident | 90 Ų | 90 | 83.9 Ų | 83.9 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.8 | -25.6 | 175.3 | -70.7 | 179.7 | 74.6 | 0 | 0 | 113.7 | V250 V254 S268 L269 L270 | V250-M272 HydrophobicContact CG1-CE 4.35Å; V254-M272 HydrophobicContact CG2-SD 4.24Å; S268-M272 VanDerWaalsContact O-CG 3.31Å; S268-M272 WeakPolarHBondContact O-CG 3.4Å; S268-M272 PolarHBondContact O-N 3.24Å; L269-M272 PolarHBondContact O-N 2.96Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 3.44Å |
| 273 | T | 65.5 | Low | 73.2 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -87.6 | -20 | 177.5 | 38.1 | 0 | 0 | 0 | 0 | 113.4 | L246 L269 L270 Q271 | L246-T273 HydrophobicContact CD1-CG2 3.49Å; L246-T273 VanDerWaalsContact CD1-CG2 3.49Å; L246-T273 HydrophobicContact CD2-CG2 4.13Å; L246-T273 HydrophobicContact CG-CG2 3.85Å; L269-T273 PolarHBondContact O-N 3.09Å; L269-T273 PolarHBondContact O-OG1 3.39Å; L270-T273 WeakPolarHBondContact CA-OG1 3.45Å; L270-T273 PolarHBondContact O-N 3.09Å; L270-T273 VanDerWaalsContact O-N 3.15Å; L270-T273 PolarHBondContact O-OG1 2.89Å; L270-T273 VanDerWaalsContact O-OG1 3.04Å; Q271-T273 VanDerWaalsContact C-N 3.35Å |
| 274 | E | 63.6 | Low | 72.7 | Confident | 167 Ų | 167 | 82.7 Ų | 82.7 | 78% | 0.78 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -76.9 | -20.1 | 170.3 | -76.4 | -175.1 | 154.7 | 0 | 0 | 113.5 | L270 | L270-E274 PolarHBondContact O-N 3Å |
| 275 | E | 54.4 | Low | 72.1 | Confident | 163 Ų | 163 | 87.3 Ų | 87.3 | 76% | 0.762 | 44% | 0.443 | S | S | * | . | trans | -93.6 | 3.6 | -179.4 | -70.9 | -168.7 | 165.9 | 0 | 0 | 114.7 | ||||
| 276 | L | 47.1 | Very low | 71.3 | Confident | 200 Ų | 200 | 95.3 Ų | 95.3 | 100% | 1.047 | 48% | 0.484 | S | S | * | . | trans | -109.7 | 0 | 176.3 | -86.1 | 160.2 | 0 | 0 | 0 | 111.7 |
Retrieved 276 of 276 residues in 387 ms
(Link to these results)