| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.3 | Very low | 50.6 | Low | 238 Ų | 238 | 147.6 Ų | 147.6 | 100% | 1.172 | 73% | 0.734 | S | S | * | * | 0 | 96.1 | 0 | -62.8 | -86 | -86.7 | 0 | 0 | 105.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.26Š| |||
| 2 | A | 38.6 | Very low | 52.9 | Low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 126.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | E4 | A2-E4 PolarHBondContact O-N 3.14Š| ||
| 3 | Q | 36.8 | Very low | 55 | Low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -75.1 | 113.4 | 167.6 | -76.3 | 171.1 | -51.2 | 0 | 0 | 105.8 | M1 E5 | M1-Q3 PolarHBondContact O-N 3.26Å; Q3-E5 PolarHBondContact O-N 2.69Å | ||
| 4 | E | 41.5 | Very low | 57.2 | Low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -57.5 | 117.8 | 171.2 | -70.1 | 171 | 166 | 0 | 0 | 107.4 | A2 E6 | A2-E4 PolarHBondContact O-N 3.14Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 2.85Å | ||
| 5 | E | 44.8 | Very low | 59 | Low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | trans | -66.1 | 95.5 | 169.5 | -88.7 | -175.6 | 150.6 | 0 | 0 | 107.2 | Q3 D7 | Q3-E5 PolarHBondContact O-N 2.69Å; E5-D7 PolarHBondContact O-N 2.93Å | ||
| 6 | E | 49.8 | Very low | 60.5 | Low | 129 Ų | 129 | 139.1 Ų | 139.1 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | trans | -57.6 | 121.5 | 170.2 | -161.9 | 179.4 | -165.8 | 0 | 0 | 107.6 | E4 V8 | E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 2.85Å; E6-V8 HydrophobicContact CB-CG2 3.99Å; E6-V8 HydrophobicContact CG-CG2 3.93Å; E6-V8 WeakPolarHBondContact O-CG2 3.18Å; E6-V8 PolarHBondContact O-N 3.13Å | ||
| 7 | D | 51 | Low | 61.7 | Low | 104 Ų | 104 | 136.3 Ų | 136.3 | 56% | 0.556 | 68% | 0.681 | S | S | * | * | trans | -70.5 | 74.7 | -179 | -171.7 | 13.3 | 0 | 0 | 0 | 110.4 | E5 | E5-D7 PolarHBondContact O-N 2.93Š| ||
| 8 | V | 59.2 | Low | 62.9 | Low | 76 Ų | 76 | 134.3 Ų | 134.3 | 46% | 0.461 | 67% | 0.668 | S | S | . | * | trans | -90.3 | 114.1 | -176.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | E6 D10 | E6-V8 HydrophobicContact CB-CG2 3.99Å; E6-V8 HydrophobicContact CG-CG2 3.93Å; E6-V8 WeakPolarHBondContact O-CG2 3.18Å; E6-V8 PolarHBondContact O-N 3.13Å; V8-D10 PolarHBondContact O-N 3.37Å | ||
| 9 | R | 61.8 | Low | 64.1 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 45% | 0.449 | 66% | 0.66 | S | S | . | * | trans | -59.4 | 104.7 | 165.1 | -70.4 | -159.6 | -70.7 | -176.2 | -4.7 | 109.6 | Y11 Y33 | R9-Y11 HydrophobicContact CB-CE2 4.21Å; R9-Y11 WeakPolarHBondContact O-CD2 3.48Å; R9-Y33 HydrophobicContact CG-CD2 4.36Å; R9-Y33 HydrophobicContact CG-CE2 4.05Å; R9-Y33 PolarHBondContact NE-OH 2.83Å; R9-Y33 PolarHBondContact NH2-OH 3.39Å | ||
| 10 | D | 66.9 | Low | 65.1 | Low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | trans | -83.2 | 123.2 | 177.3 | -156.5 | 7.6 | 0 | 0 | 0 | 109.5 | V8 | V8-D10 PolarHBondContact O-N 3.37Š| ||
| 11 | Y | 73.3 | Confident | 65.9 | Low | 135 Ų | 135 | 129.8 Ų | 129.8 | 53% | 0.529 | 65% | 0.652 | S | S | . | * | trans | -101.6 | 138.4 | 179.4 | -67.8 | -89 | 0 | 0 | 0 | 108.3 | R9 L13 | R9-Y11 HydrophobicContact CB-CE2 4.21Å; R9-Y11 WeakPolarHBondContact O-CD2 3.48Å; Y11-L13 VanDerWaalsContact C-N 3.27Å; Y11-L13 PolarHBondContact O-N 3.38Å | ||
| 12 | N | 77.3 | Confident | 68.3 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 93% | 0.93 | 63% | 0.63 | S | S | * | * | trans | -69.3 | 85 | 169.8 | -76.2 | -30.4 | 0 | 0 | 0 | 110.1 | ||||
| 13 | L | 80.4 | Confident | 70.8 | Confident | 58 Ų | 58 | 125.3 Ų | 125.3 | 30% | 0.304 | 62% | 0.623 | S | S | . | * | trans | -79.7 | 139.4 | -178.7 | -63.8 | 174.2 | 0 | 0 | 0 | 111.7 | Y11 Q17 K18 K21 | Y11-L13 VanDerWaalsContact C-N 3.27Å; Y11-L13 PolarHBondContact O-N 3.38Å; L13-Q17 HydrophobicContact CB-CB 4.27Å; L13-Q17 HydrophobicContact CD2-CB 4.19Å; L13-K18 HydrophobicContact CB-CG 4.1Å; L13-K18 WeakPolarHBondContact O-CE 3.49Å; L13-K21 HydrophobicContact CD1-CD 4.2Å | ||
| 14 | T | 86.3 | Confident | 73 | Confident | 77 Ų | 77 | 123.3 Ų | 123.3 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | trans | -73.2 | 161.8 | 170.3 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | E16 Q17 K18 | T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 3.48Å; T14-Q17 PolarHBondContact O-N 3.08Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.35Å; T14-Q17 PolarHBondContact OG1-OE1 3.29Å; T14-K18 PolarHBondContact O-N 2.93Å | ||
| 15 | E | 83.7 | Confident | 75.1 | Confident | 138 Ų | 138 | 119.8 Ų | 119.8 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.9 | -35.6 | -178.5 | -64 | -55.7 | 123.5 | 0 | 0 | 112.9 | K18 A19 | E15-K18 PolarHBondContact O-N 3.38Å; E15-K18 IonicContact OE1-NZ 3Å; E15-K18 PolarHBondContact OE1-NZ 3.45Å; E15-A19 PolarHBondContact O-N 2.94Å; E15-A19 VanDerWaalsContact O-N 3.07Å |
| 16 | E | 84 | Confident | 76.9 | Confident | 154 Ų | 154 | 116.4 Ų | 116.4 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.1 | -38.6 | 175.7 | -64 | -179.2 | 174.5 | 0 | 0 | 112.1 | T14 A19 I20 | T14-E16 VanDerWaalsContact C-N 3.25Å; T14-E16 PolarHBondContact O-N 3.48Å; E16-A19 PolarHBondContact O-N 2.73Å; E16-I20 WeakPolarHBondContact O-CG1 3.4Å; E16-I20 PolarHBondContact O-N 2.84Å |
| 17 | Q | 80.2 | Confident | 78.4 | Confident | 92 Ų | 92 | 115.9 Ų | 115.9 | 43% | 0.43 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.4 | -34.6 | 178 | -68.3 | 169.5 | -25.6 | 0 | 0 | 111.7 | L13 T14 I20 K21 | L13-Q17 HydrophobicContact CB-CB 4.27Å; L13-Q17 HydrophobicContact CD2-CB 4.19Å; T14-Q17 PolarHBondContact O-N 3.08Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.35Å; T14-Q17 PolarHBondContact OG1-OE1 3.29Å; Q17-I20 PolarHBondContact O-N 3.46Å; Q17-K21 WeakPolarHBondContact O-CB 3.38Å; Q17-K21 PolarHBondContact O-N 3.21Å |
| 18 | K | 83.2 | Confident | 79.6 | Confident | 101 Ų | 101 | 117.2 Ų | 117.2 | 44% | 0.439 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -43.6 | 171.3 | -67.6 | 175.3 | -172.2 | 168.2 | 0 | 111.1 | L13 T14 E15 I20 K21 A22 | L13-K18 HydrophobicContact CB-CG 4.1Å; L13-K18 WeakPolarHBondContact O-CE 3.49Å; T14-K18 PolarHBondContact O-N 2.93Å; E15-K18 PolarHBondContact O-N 3.38Å; E15-K18 IonicContact OE1-NZ 3Å; E15-K18 PolarHBondContact OE1-NZ 3.45Å; K18-I20 VanDerWaalsContact C-N 3.34Å; K18-I20 PolarHBondContact O-N 2.93Å; K18-K21 PolarHBondContact O-N 3.47Å; K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.95Å |
| 19 | A | 85.8 | Confident | 80 | Confident | 63 Ų | 63 | 118.8 Ų | 118.8 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E15 E16 A22 K23 | E15-A19 PolarHBondContact O-N 2.94Å; E15-A19 VanDerWaalsContact O-N 3.07Å; E16-A19 PolarHBondContact O-N 2.73Å; A19-A22 PolarHBondContact O-N 3.21Å; A19-K23 PolarHBondContact O-N 2.74Å; A19-K23 VanDerWaalsContact O-N 3.16Å |
| 20 | I | 83.5 | Confident | 80.8 | Confident | 103 Ų | 103 | 121.8 Ų | 121.8 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.5 | -43.1 | 175.3 | -67.8 | 165 | 0 | 0 | 0 | 111.1 | E16 Q17 K18 A22 K23 Y24 | E16-I20 WeakPolarHBondContact O-CG1 3.4Å; E16-I20 PolarHBondContact O-N 2.84Å; Q17-I20 PolarHBondContact O-N 3.46Å; K18-I20 VanDerWaalsContact C-N 3.34Å; K18-I20 PolarHBondContact O-N 2.93Å; I20-A22 VanDerWaalsContact C-N 3.26Å; I20-A22 PolarHBondContact O-N 3.42Å; I20-K23 WeakPolarHBondContact O-CB 3.21Å; I20-K23 PolarHBondContact O-N 3.27Å; I20-K23 VanDerWaalsContact O-N 3.12Å; I20-Y24 HydrophobicContact CG2-CD2 4.49Å; I20-Y24 HydrophobicContact CG2-CE2 4.27Å; I20-Y24 WeakPolarHBondContact O-CD2 3.31Å |
| 21 | K | 82.8 | Confident | 80.9 | Confident | 142 Ų | 142 | 120.8 Ų | 120.8 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.1 | -35.9 | 176.8 | -170.1 | -179.8 | 178.4 | -175 | 0 | 111.9 | L13 Q17 K18 | L13-K21 HydrophobicContact CD1-CD 4.2Å; Q17-K21 WeakPolarHBondContact O-CB 3.38Å; Q17-K21 PolarHBondContact O-N 3.21Å; K18-K21 PolarHBondContact O-N 3.47Å |
| 22 | A | 84 | Confident | 80.8 | Confident | 87 Ų | 87 | 121.3 Ų | 121.3 | 72% | 0.719 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.7 | -21.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K18 A19 I20 Y24 | K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.95Å; A19-A22 PolarHBondContact O-N 3.21Å; I20-A22 VanDerWaalsContact C-N 3.26Å; I20-A22 PolarHBondContact O-N 3.42Å; A22-Y24 VanDerWaalsContact C-N 3.34Å |
| 23 | K | 91.3 | Very high | 80.4 | Confident | 157 Ų | 157 | 116.3 Ų | 116.3 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.6 | -24.9 | -178.5 | -173.9 | 177.4 | 177.1 | -177.9 | 0 | 113.2 | A19 I20 | A19-K23 PolarHBondContact O-N 2.74Å; A19-K23 VanDerWaalsContact O-N 3.16Å; I20-K23 WeakPolarHBondContact O-CB 3.21Å; I20-K23 PolarHBondContact O-N 3.27Å; I20-K23 VanDerWaalsContact O-N 3.12Å |
| 24 | Y | 83.2 | Confident | 79.6 | Confident | 147 Ų | 147 | 119.3 Ų | 119.3 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -114.8 | 152.3 | -175.4 | -62.7 | -75.3 | 0 | 0 | 0 | 111.9 | I20 A22 | I20-Y24 HydrophobicContact CG2-CD2 4.49Å; I20-Y24 HydrophobicContact CG2-CE2 4.27Å; I20-Y24 WeakPolarHBondContact O-CD2 3.31Å; A22-Y24 VanDerWaalsContact C-N 3.34Å |
| 25 | P | 84.6 | Confident | 77.8 | Confident | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 139.5 | 176 | -22 | 31.7 | 0 | 0 | 0 | 111.2 | V27 | P25-V27 PolarHBondContact O-N 3.4Š|
| 26 | P | 82.6 | Confident | 76.9 | Confident | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.3 | 179.3 | 26.3 | -33.1 | 0 | 0 | 0 | 110.2 | N28 | P26-N28 PolarHBondContact O-N 3.04Š|
| 27 | V | 81.6 | Confident | 75.7 | Confident | 117 Ų | 117 | 121.4 Ų | 121.4 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.4 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | P25 R29 | P25-V27 PolarHBondContact O-N 3.4Å; V27-R29 HydrophobicContact CG1-CG 4.37Å; V27-R29 PolarHBondContact O-N 2.72Å |
| 28 | N | 75.2 | Confident | 74.7 | Confident | 132 Ų | 132 | 121.3 Ų | 121.3 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -72.3 | 108.4 | 172.1 | -163.5 | -3.2 | 0 | 0 | 0 | 108.7 | P26 | P26-N28 PolarHBondContact O-N 3.04Š| ||
| 29 | R | 68.9 | Low | 73.1 | Confident | 110 Ų | 110 | 123.8 Ų | 123.8 | 42% | 0.415 | 65% | 0.651 | S | S | . | * | trans | -96.6 | 127.5 | -178.5 | -63.7 | 174.7 | 179.6 | -171.8 | -2.2 | 107.9 | V27 Y31 | V27-R29 HydrophobicContact CG1-CG 4.37Å; V27-R29 PolarHBondContact O-N 2.72Å; R29-Y31 HydrophobicContact CB-CD1 4.14Å; R29-Y31 HydrophobicContact CB-CE1 3.6Å; R29-Y31 WeakPolarHBondContact CD-OH 3.33Å; R29-Y31 HydrophobicContact CG-CE1 3.68Å | ||
| 30 | K | 77.4 | Confident | 71 | Confident | 182 Ų | 182 | 127.3 Ų | 127.3 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -132.6 | 58.8 | 177.1 | -66.9 | -172 | 178.6 | -173.6 | 0 | 109.2 | ||||
| 31 | Y | 69 | Low | 69.5 | Low | 127 Ų | 127 | 131 Ų | 131 | 50% | 0.498 | 68% | 0.681 | S | S | . | * | trans | -145.9 | 144.6 | 179.3 | 57.8 | -96.3 | 0 | 0 | 0 | 108.7 | R29 Y33 | R29-Y31 HydrophobicContact CB-CD1 4.14Å; R29-Y31 HydrophobicContact CB-CE1 3.6Å; R29-Y31 WeakPolarHBondContact CD-OH 3.33Å; R29-Y31 HydrophobicContact CG-CE1 3.68Å; Y31-Y33 HydrophobicContact CD2-CE2 4.47Å; Y31-Y33 HydrophobicContact CE2-CE2 4.06Å; Y31-Y33 AromaticContact CE2-CZ 3.99Å | ||
| 32 | E | 72.4 | Confident | 68.1 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | trans | -118.4 | 148.4 | 177 | 56.4 | -173.7 | 175.4 | 0 | 0 | 108.9 | L34 | E32-L34 HydrophobicContact CG-CD1 3.96Å; E32-L34 HydrophobicContact CG-CG 4.06Å | ||
| 33 | Y | 68.4 | Low | 67.4 | Low | 69 Ų | 69 | 135.9 Ų | 135.9 | 27% | 0.271 | 70% | 0.701 | S | S | . | * | trans | -92.3 | 112.8 | 175.7 | -65.9 | -80.8 | 0 | 0 | 0 | 108.8 | R9 Y31 | R9-Y33 HydrophobicContact CG-CD2 4.36Å; R9-Y33 HydrophobicContact CG-CE2 4.05Å; R9-Y33 PolarHBondContact NE-OH 2.83Å; R9-Y33 PolarHBondContact NH2-OH 3.39Å; Y31-Y33 HydrophobicContact CD2-CE2 4.47Å; Y31-Y33 HydrophobicContact CE2-CE2 4.06Å; Y31-Y33 AromaticContact CE2-CZ 3.99Å | ||
| 34 | L | 63.8 | Low | 67.1 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | trans | -117.2 | 149.3 | 177.4 | -64.9 | 169.2 | 0 | 0 | 0 | 109.4 | E32 | E32-L34 HydrophobicContact CG-CD1 3.96Å; E32-L34 HydrophobicContact CG-CG 4.06Å | ||
| 35 | D | 48.3 | Very low | 67.1 | Low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | 59.2 | 59 | 174 | -57 | -30.5 | 0 | 0 | 0 | 115.6 | T37 | D35-T37 PolarHBondContact O-N 3.22Š| ||
| 36 | H | 65.9 | Low | 67.1 | Low | 139 Ų | 139 | 136.7 Ų | 136.7 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | trans | -69.9 | 77.5 | 163 | -72.9 | 111 | 0 | 0 | 0 | 110.3 | A38 | H36-A38 PolarHBondContact O-N 3.43Š| ||
| 37 | T | 57 | Low | 67.2 | Low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 68% | 0.675 | S | S | * | * | trans | -82.9 | 108.1 | 172.8 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | D35 | D35-T37 PolarHBondContact O-N 3.22Š| ||
| 38 | A | 60 | Low | 67.4 | Low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | trans | -102.5 | 121.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | H36 | H36-A38 PolarHBondContact O-N 3.43Š| ||
| 39 | D | 48.9 | Very low | 68 | Low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -83.6 | 132.6 | 167.7 | 54.1 | -20.1 | 0 | 0 | 0 | 109.8 | ||||
| 40 | V | 42.1 | Very low | 68.8 | Low | 137 Ų | 137 | 132.9 Ų | 132.9 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -105.8 | 108.2 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 41 | Q | 51.8 | Low | 69.4 | Low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | -111.3 | 141 | 163 | -168.3 | 163.9 | 24 | 0 | 0 | 108.9 | G43 | Q41-G43 PolarHBondContact O-N 2.92Š| ||
| 42 | W | 54.7 | Low | 70.3 | Confident | 257 Ų | 257 | 126 Ų | 126 | 97% | 0.973 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -68.4 | 114.4 | 176.1 | -74.8 | 82.5 | 0 | 0 | 0 | 109.8 | ||
| 43 | G | 69.3 | Low | 70.9 | Confident | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | trans | -170.5 | 171 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q41 | Q41-G43 PolarHBondContact O-N 2.92Š| ||
| 44 | E | 83.3 | Confident | 71.9 | Confident | 123 Ų | 123 | 126.5 Ų | 126.5 | 58% | 0.575 | 69% | 0.69 | S | S | * | * | trans | -102.4 | 154.2 | 168.3 | 72.6 | 177.9 | 117.2 | 0 | 0 | 110.5 | F46 K50 H51 | E44-F46 PolarHBondContact O-N 2.81Å; E44-K50 IonicContact OE2-NZ 2.73Å; E44-K50 PolarHBondContact OE2-NZ 3.21Å; E44-H51 VanDerWaalsContact CD-NE2 3.35Å; E44-H51 WeakPolarHBondContact CG-NE2 3.4Å; E44-H51 IonicContact OE1-NE2 3.42Å; E44-H51 PolarHBondContact OE1-NE2 3.42Å; E44-H51 IonicContact OE2-NE2 3.91Å | ||
| 45 | E | 84.3 | Confident | 72.9 | Confident | 180 Ų | 180 | 125.8 Ų | 125.8 | 84% | 0.841 | 69% | 0.69 | S | S | * | * | trans | -59.3 | 134 | 174.6 | -76.6 | -175.1 | 174.2 | 0 | 0 | 110.9 | S47 H51 | E45-S47 PolarHBondContact O-N 3.41Å; E45-H51 PolarHBondContact O-CE1 3.47Å | ||
| 46 | F | 84 | Confident | 74.7 | Confident | 130 Ų | 130 | 126 Ų | 126 | 57% | 0.57 | 69% | 0.687 | S | S | * | * | trans | -64.8 | 112.7 | 178.8 | -179.6 | -93.8 | 0 | 0 | 0 | 110.9 | E44 L48 H51 | E44-F46 PolarHBondContact O-N 2.81Å; F46-L48 HydrophobicContact CE1-CD2 3.68Å; F46-L48 HydrophobicContact CE1-CG 4.08Å; F46-L48 HydrophobicContact CZ-CD2 4Å; F46-H51 HydrophobicContact CD2-CB 3.71Å; F46-H51 AromaticContact CD2-CG 3.92Å; F46-H51 AromaticContact CD2-ND1 3.64Å; F46-H51 HydrophobicContact CE2-CB 3.41Å; F46-H51 VanDerWaalsContact CE2-CB 3.41Å; F46-H51 HydrophobicContact CZ-CB 4.24Å | ||
| 47 | S | 86.1 | Confident | 75.8 | Confident | 40 Ų | 40 | 123.2 Ų | 123.2 | 28% | 0.28 | 68% | 0.68 | S | S | . | * | trans | -111.2 | 130.1 | 167.5 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | E45 S49 K50 H51 | E45-S47 PolarHBondContact O-N 3.41Å; S47-S49 PolarHBondContact O-N 3.16Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.36Å; S47-S49 PolarHBondContact OG-OG 3Å; S47-K50 PolarHBondContact O-N 3.12Å; S47-H51 PolarHBondContact N-ND1 3.31Å; S47-H51 PolarHBondContact O-N 3.44Å; S47-H51 PolarHBondContact O-ND1 2.93Å | ||
| 48 | L | 85.5 | Confident | 77.5 | Confident | 119 Ų | 119 | 123.4 Ų | 123.4 | 62% | 0.623 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -23.6 | 173.8 | -69.8 | 169.7 | 0 | 0 | 0 | 113.4 | F46 Q53 | F46-L48 HydrophobicContact CE1-CD2 3.68Å; F46-L48 HydrophobicContact CE1-CG 4.08Å; F46-L48 HydrophobicContact CZ-CD2 4Å; L48-Q53 HydrophobicContact CD2-CB 4.42Å; L48-Q53 HydrophobicContact CD2-CG 4.42Å |
| 49 | S | 87.4 | Confident | 78.8 | Confident | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -19.6 | 177.3 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | S47 | S47-S49 PolarHBondContact O-N 3.16Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.36Å; S47-S49 PolarHBondContact OG-OG 3Å |
| 50 | K | 86.3 | Confident | 80.7 | Confident | 141 Ų | 141 | 120.3 Ų | 120.3 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -34.2 | -176.1 | -65.4 | -177.8 | 176.6 | -179.6 | 0 | 112.8 | E44 S47 | E44-K50 IonicContact OE2-NZ 2.73Å; E44-K50 PolarHBondContact OE2-NZ 3.21Å; S47-K50 PolarHBondContact O-N 3.12Å |
| 51 | H | 89.8 | Confident | 83.2 | Confident | 44 Ų | 44 | 115.7 Ų | 115.7 | 20% | 0.204 | 62% | 0.617 | C | S | . | * | S | Bend | trans | -112 | 137 | -172.4 | -50.3 | 117.4 | 0 | 0 | 0 | 111.3 | E44 E45 F46 S47 | E44-H51 VanDerWaalsContact CD-NE2 3.35Å; E44-H51 WeakPolarHBondContact CG-NE2 3.4Å; E44-H51 IonicContact OE1-NE2 3.42Å; E44-H51 PolarHBondContact OE1-NE2 3.42Å; E44-H51 IonicContact OE2-NE2 3.91Å; E45-H51 PolarHBondContact O-CE1 3.47Å; F46-H51 HydrophobicContact CD2-CB 3.71Å; F46-H51 AromaticContact CD2-CG 3.92Å; F46-H51 AromaticContact CD2-ND1 3.64Å; F46-H51 HydrophobicContact CE2-CB 3.41Å; F46-H51 VanDerWaalsContact CE2-CB 3.41Å; F46-H51 HydrophobicContact CZ-CB 4.24Å; S47-H51 PolarHBondContact N-ND1 3.31Å; S47-H51 PolarHBondContact O-N 3.44Å; S47-H51 PolarHBondContact O-ND1 2.93Å |
| 52 | P | 86.8 | Confident | 85 | Confident | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 62% | 0.615 | S | S | * | * | trans | -64.8 | 136.6 | 173.4 | 26.6 | -32 | 0 | 0 | 0 | 110.6 | G54 | P52-G54 PolarHBondContact O-N 3.01Š| ||
| 53 | Q | 86.2 | Confident | 86.6 | Confident | 161 Ų | 161 | 108.1 Ų | 108.1 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | trans | -78.1 | 118.1 | 178 | -169.9 | 172.3 | -1.7 | 0 | 0 | 110.2 | L48 | L48-Q53 HydrophobicContact CD2-CB 4.42Å; L48-Q53 HydrophobicContact CD2-CG 4.42Å | ||
| 54 | G | 87.9 | Confident | 87.6 | Confident | 64 Ų | 64 | 107.4 Ų | 107.4 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | trans | -94.8 | -147.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P52 | P52-G54 PolarHBondContact O-N 3.01Š| ||
| 55 | T | 86.2 | Confident | 88.1 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | trans | -97.6 | 139.2 | 171.9 | -51.3 | 0 | 0 | 0 | 0 | 109.6 | I81 | T55-I81 HydrophobicContact CG2-CB 3.79Å; T55-I81 HydrophobicContact CG2-CD1 4.19Å; T55-I81 HydrophobicContact CG2-CG1 4.47Å; T55-I81 HydrophobicContact CG2-CG2 4.26Å | ||
| 56 | E | 85 | Confident | 88.5 | Confident | 150 Ų | 150 | 100 Ų | 100 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | trans | -62.8 | 141.3 | 173.6 | -172.5 | 177.9 | 164.4 | 0 | 0 | 109.9 | I81 | E56-I81 VanDerWaalsContact O-CA 3.31Å; E56-I81 WeakPolarHBondContact O-CA 3.43Å; E56-I81 VanDerWaalsContact O-OXT 3.12Å | ||
| 57 | V | 89.6 | Confident | 89 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | trans | -105.8 | 123.3 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | I79 | V57-I79 HydrophobicContact CG1-CB 4.28Å; V57-I79 HydrophobicContact CG1-CD1 4.23Å; V57-I79 HydrophobicContact CG2-CD1 4Å | ||
| 58 | K | 93 | Very high | 89.4 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 58% | 0.578 | 55% | 0.554 | S | S | * | * | trans | -92.3 | -39.1 | -175.7 | -68.4 | 177.3 | -173.1 | 135.2 | 0 | 113.2 | D80 I81 | K58-D80 HydrophobicContact CB-CB 4.5Å; K58-D80 PolarHBondContact N-O 3.31Å; K58-I81 WeakPolarHBondContact CE-OXT 3.32Å; K58-I81 PolarHBondContact NZ-O 2.75Å; K58-I81 PolarHBondContact NZ-OXT 3.35Å | ||
| 59 | A | 86.1 | Confident | 89.7 | Confident | 44 Ų | 44 | 102.7 Ų | 102.7 | 36% | 0.364 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -158.5 | 151.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | D80 | A59-D80 HydrophobicContact CB-CB 4.26Å; A59-D80 PolarHBondContact O-N 3.06Å |
| 60 | I | 90.6 | Very high | 90 | Very high | 134 Ų | 134 | 104.6 Ų | 104.6 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 134 | 166.2 | -57.2 | 176 | 0 | 0 | 0 | 107.9 | V77 | I60-V77 HydrophobicContact CG2-CG1 3.98Å |
| 61 | T | 92.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 106.9 Ų | 106.9 | 25% | 0.245 | 57% | 0.571 | C | S | . | * | trans | -118.7 | 151.7 | -178.5 | 81.2 | 0 | 0 | 0 | 0 | 112.2 | S63 M65 I78 | T61-S63 PolarHBondContact O-N 3.05Å; T61-S63 WeakPolarHBondContact OG1-CB 3.41Å; T61-S63 PolarHBondContact OG1-N 3.02Å; T61-M65 WeakPolarHBondContact O-CE 3.41Å; T61-I78 PolarHBondContact N-O 3.39Å; T61-I78 PolarHBondContact OG1-O 3.42Å | ||
| 62 | Y | 90.2 | Very high | 90.3 | Very high | 205 Ų | 205 | 110.6 Ų | 110.6 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | trans | -80.8 | 0.2 | 169.5 | -72 | -73.4 | 0 | 0 | 0 | 113.2 | A64 M65 | Y62-A64 PolarHBondContact O-N 3.34Å; Y62-A64 VanDerWaalsContact O-N 3.14Å; Y62-M65 HydrophobicContact CD1-CE 3.7Å; Y62-M65 HydrophobicContact CD1-SD 3.64Å; Y62-M65 HydrophobicContact CE1-CE 3.96Å; Y62-M65 HydrophobicContact CE1-SD 3.87Å; Y62-M65 HydrophobicContact CG-CE 4.45Å; Y62-M65 PolarHBondContact O-N 3.25Å | ||
| 63 | S | 87.8 | Confident | 90.6 | Very high | 73 Ų | 73 | 109.2 Ų | 109.2 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | 118.2 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | T61 M65 | T61-S63 PolarHBondContact O-N 3.05Å; T61-S63 WeakPolarHBondContact OG1-CB 3.41Å; T61-S63 PolarHBondContact OG1-N 3.02Å; S63-M65 PolarHBondContact O-N 3.15Å; S63-M65 VanDerWaalsContact O-N 3.08Å |
| 64 | A | 90.6 | Very high | 91 | Very high | 61 Ų | 61 | 106.2 Ų | 106.2 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 51.7 | 27.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y62 Q66 I78 | Y62-A64 PolarHBondContact O-N 3.34Å; Y62-A64 VanDerWaalsContact O-N 3.14Å; A64-Q66 PolarHBondContact O-N 3.06Å; A64-Q66 PolarHBondContact O-NE2 2.89Å; A64-I78 HydrophobicContact CB-CD1 3.88Å |
| 65 | M | 94.8 | Very high | 91.4 | Very high | 67 Ų | 67 | 107.9 Ų | 107.9 | 33% | 0.33 | 57% | 0.566 | S | S | . | * | trans | -63.9 | 127.5 | 175.3 | -179.1 | -179.6 | -70.7 | 0 | 0 | 110.1 | T61 Y62 S63 F76 V77 | T61-M65 WeakPolarHBondContact O-CE 3.41Å; Y62-M65 HydrophobicContact CD1-CE 3.7Å; Y62-M65 HydrophobicContact CD1-SD 3.64Å; Y62-M65 HydrophobicContact CE1-CE 3.96Å; Y62-M65 HydrophobicContact CE1-SD 3.87Å; Y62-M65 HydrophobicContact CG-CE 4.45Å; Y62-M65 PolarHBondContact O-N 3.25Å; S63-M65 PolarHBondContact O-N 3.15Å; S63-M65 VanDerWaalsContact O-N 3.08Å; M65-F76 WeakPolarHBondContact CA-O 3.36Å; M65-V77 HydrophobicContact CE-CG1 4.19Å; M65-V77 HydrophobicContact CE-CG2 4.22Å; M65-V77 HydrophobicContact CG-CG2 4.28Å | ||
| 66 | Q | 92 | Very high | 91.8 | Very high | 79 Ų | 79 | 107.5 Ų | 107.5 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.6 | 179.6 | -63.4 | 162.6 | 46.8 | 0 | 0 | 109.6 | A64 Y68 V75 F76 | A64-Q66 PolarHBondContact O-N 3.06Å; A64-Q66 PolarHBondContact O-NE2 2.89Å; Q66-Y68 HydrophobicContact CB-CD2 4.35Å; Q66-Y68 HydrophobicContact CB-CE2 3.73Å; Q66-Y68 HydrophobicContact CG-CE2 4.43Å; Q66-Y68 VanDerWaalsContact OE1-CE2 3.32Å; Q66-Y68 PolarHBondContact OE1-OH 3.33Å; Q66-V75 WeakPolarHBondContact O-CA 3.39Å; Q66-F76 HydrophobicContact CB-CB 4.23Å; Q66-F76 HydrophobicContact CB-CD2 4.22Å; Q66-F76 PolarHBondContact N-O 2.73Å; Q66-F76 PolarHBondContact O-N 3.07Å |
| 67 | V | 94.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 62% | 0.618 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 105.9 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | V75 | V67-V75 HydrophobicContact CG1-CG2 4.46Å |
| 68 | Y | 93.8 | Very high | 92.5 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 40% | 0.396 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.2 | 172.8 | -63.3 | -78.6 | 0 | 0 | 0 | 107.7 | Q66 P73 E74 F76 | Q66-Y68 HydrophobicContact CB-CD2 4.35Å; Q66-Y68 HydrophobicContact CB-CE2 3.73Å; Q66-Y68 HydrophobicContact CG-CE2 4.43Å; Q66-Y68 VanDerWaalsContact OE1-CE2 3.32Å; Q66-Y68 PolarHBondContact OE1-OH 3.33Å; Y68-P73 CarbonylContact O-C 3.52Å; Y68-P73 WeakPolarHBondContact O-CA 3.49Å; Y68-E74 HydrophobicContact CD2-CB 4.39Å; Y68-E74 PolarHBondContact N-O 3.42Å; Y68-E74 PolarHBondContact O-N 3.01Å; Y68-F76 AromaticContact CD2-CD2 3.97Å; Y68-F76 HydrophobicContact CD2-CD2 3.97Å; Y68-F76 AromaticContact CD2-CE2 3.8Å; Y68-F76 HydrophobicContact CD2-CE2 3.8Å; Y68-F76 AromaticContact CE2-CD2 3.78Å; Y68-F76 HydrophobicContact CE2-CD2 3.78Å; Y68-F76 AromaticContact CE2-CE2 3.75Å; Y68-F76 HydrophobicContact CE2-CE2 3.75Å |
| 69 | N | 93 | Very high | 92.6 | Very high | 143 Ų | 143 | 101.2 Ų | 101.2 | 77% | 0.765 | 53% | 0.531 | S | S | * | . | trans | -107.4 | 57.3 | 178.6 | -170 | 40.5 | 0 | 0 | 0 | 110.2 | ||||
| 70 | E | 93.1 | Very high | 92.8 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -102.3 | -164.9 | 178.7 | -61 | -170.8 | -168.9 | 0 | 0 | 110.4 | N72 | E70-N72 PolarHBondContact O-N 3.26Å; E70-N72 VanDerWaalsContact O-N 3.13Å |
| 71 | E | 89.8 | Confident | 92.8 | Very high | 188 Ų | 188 | 101.9 Ų | 101.9 | 88% | 0.879 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -54.1 | -32.9 | 179.6 | -172 | 174.8 | -170.5 | 0 | 0 | 112.6 | ||
| 72 | N | 92.7 | Very high | 92.8 | Very high | 122 Ų | 122 | 105 Ų | 105 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -116.7 | 98.7 | 169.4 | -63.9 | -47.5 | 0 | 0 | 0 | 109.3 | E70 E74 | E70-N72 PolarHBondContact O-N 3.26Å; E70-N72 VanDerWaalsContact O-N 3.13Å; N72-E74 PolarHBondContact O-N 3Å |
| 73 | P | 93.3 | Very high | 93 | Very high | 93 Ų | 93 | 99.7 Ų | 99.7 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | trans | -68.4 | 130.8 | -178.1 | -22 | 33.3 | 0 | 0 | 0 | 112.3 | Y68 | Y68-P73 CarbonylContact O-C 3.52Å; Y68-P73 WeakPolarHBondContact O-CA 3.49Å | ||
| 74 | E | 94.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145 | -179.7 | -66.3 | -177.5 | -168.2 | 0 | 0 | 111.3 | Y68 N72 F76 | Y68-E74 HydrophobicContact CD2-CB 4.39Å; Y68-E74 PolarHBondContact N-O 3.42Å; Y68-E74 PolarHBondContact O-N 3.01Å; N72-E74 PolarHBondContact O-N 3Å; E74-F76 HydrophobicContact CB-CE2 3.97Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.49Å |
| 75 | V | 95.4 | Very high | 93.4 | Very high | 98 Ų | 98 | 103.5 Ų | 103.5 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.8 | 179.8 | 179 | 0 | 0 | 0 | 0 | 110 | Q66 V67 V77 | Q66-V75 WeakPolarHBondContact O-CA 3.39Å; V67-V75 HydrophobicContact CG1-CG2 4.46Å; V75-V77 HydrophobicContact CG1-CG2 3.81Å |
| 76 | F | 94.7 | Very high | 93.3 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 43% | 0.425 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.3 | 175 | -58.2 | -91.3 | 0 | 0 | 0 | 109.2 | M65 Q66 Y68 E74 | M65-F76 WeakPolarHBondContact CA-O 3.36Å; Q66-F76 HydrophobicContact CB-CB 4.23Å; Q66-F76 HydrophobicContact CB-CD2 4.22Å; Q66-F76 PolarHBondContact N-O 2.73Å; Q66-F76 PolarHBondContact O-N 3.07Å; Y68-F76 AromaticContact CD2-CD2 3.97Å; Y68-F76 HydrophobicContact CD2-CD2 3.97Å; Y68-F76 AromaticContact CD2-CE2 3.8Å; Y68-F76 HydrophobicContact CD2-CE2 3.8Å; Y68-F76 AromaticContact CE2-CD2 3.78Å; Y68-F76 HydrophobicContact CE2-CD2 3.78Å; Y68-F76 AromaticContact CE2-CE2 3.75Å; Y68-F76 HydrophobicContact CE2-CE2 3.75Å; E74-F76 HydrophobicContact CB-CE2 3.97Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.49Å |
| 77 | V | 95.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 107.6 Ų | 107.6 | 38% | 0.382 | 56% | 0.556 | S | S | . | * | trans | -137.3 | 138.7 | -178.6 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | I60 M65 V75 I79 | I60-V77 HydrophobicContact CG2-CG1 3.98Å; M65-V77 HydrophobicContact CE-CG1 4.19Å; M65-V77 HydrophobicContact CE-CG2 4.22Å; M65-V77 HydrophobicContact CG-CG2 4.28Å; V75-V77 HydrophobicContact CG1-CG2 3.81Å; V77-I79 HydrophobicContact CG1-CG2 4.3Å | ||
| 78 | I | 94.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | trans | -97.3 | 129.1 | 170 | -62.4 | 179.8 | 0 | 0 | 0 | 108.8 | T61 A64 | T61-I78 PolarHBondContact N-O 3.39Å; T61-I78 PolarHBondContact OG1-O 3.42Å; A64-I78 HydrophobicContact CB-CD1 3.88Å | ||
| 79 | I | 94 | Very high | 93.3 | Very high | 85 Ų | 85 | 108.5 Ų | 108.5 | 44% | 0.436 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 150.8 | 178.1 | 63 | 176.3 | 0 | 0 | 0 | 110.7 | V57 V77 I81 | V57-I79 HydrophobicContact CG1-CB 4.28Å; V57-I79 HydrophobicContact CG1-CD1 4.23Å; V57-I79 HydrophobicContact CG2-CD1 4Å; V77-I79 HydrophobicContact CG1-CG2 4.3Å; I79-I81 HydrophobicContact CD1-CG2 4.48Å; I79-I81 HydrophobicContact CG1-CG2 4.45Å |
| 80 | D | 90.6 | Very high | 93.3 | Very high | 84 Ų | 84 | 105.7 Ų | 105.7 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.3 | 171.9 | -164.5 | 15.1 | 0 | 0 | 0 | 110 | K58 A59 | K58-D80 HydrophobicContact CB-CB 4.5Å; K58-D80 PolarHBondContact N-O 3.31Å; A59-D80 HydrophobicContact CB-CB 4.26Å; A59-D80 PolarHBondContact O-N 3.06Å |
| 81 | I | 91.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 55% | 0.549 | 53% | 0.533 | S | S | . | . | trans | -120.4 | 0 | -174.8 | 56.7 | 168.1 | 0 | 0 | 0 | 111.5 | T55 E56 K58 I79 | T55-I81 HydrophobicContact CG2-CB 3.79Å; T55-I81 HydrophobicContact CG2-CD1 4.19Å; T55-I81 HydrophobicContact CG2-CG1 4.47Å; T55-I81 HydrophobicContact CG2-CG2 4.26Å; E56-I81 VanDerWaalsContact O-CA 3.31Å; E56-I81 WeakPolarHBondContact O-CA 3.43Å; E56-I81 VanDerWaalsContact O-OXT 3.12Å; K58-I81 WeakPolarHBondContact CE-OXT 3.32Å; K58-I81 PolarHBondContact NZ-O 2.75Å; K58-I81 PolarHBondContact NZ-OXT 3.35Å; I79-I81 HydrophobicContact CD1-CG2 4.48Å; I79-I81 HydrophobicContact CG1-CG2 4.45Å |
Retrieved 81 of 81 residues in 28.8 ms
(Link to these results)