| 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 | 31.9 | Very low | 48.5 | Very low | 227 Ų | 227 | 128.6 Ų | 128.6 | 100% | 1.118 | 66% | 0.658 | S | S | * | * | 0 | 108.6 | 0 | -164.7 | 176.6 | -173.3 | 0 | 0 | 107.5 | K3 | M1-K3 PolarHBondContact O-N 3.43Š| |||
| 2 | C | 25.4 | Very low | 50 | Low | 110 Ų | 110 | 122 Ų | 122 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -65.4 | 114.3 | 168.1 | -83.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 3 | K | 28.2 | Very low | 51 | Low | 187 Ų | 187 | 122.4 Ų | 122.4 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | trans | -78.8 | 118.9 | 170.1 | -69.3 | -176.2 | 177.5 | -178.6 | 0 | 106.9 | M1 L5 | M1-K3 PolarHBondContact O-N 3.43Å; K3-L5 PolarHBondContact O-N 3.19Å | ||
| 4 | Y | 39.6 | Very low | 51.8 | Low | 222 Ų | 222 | 115.5 Ų | 115.5 | 87% | 0.871 | 58% | 0.584 | S | S | * | * | trans | -66.6 | 102.5 | 170.5 | -57.4 | -88.6 | 0 | 0 | 0 | 107.3 | N6 | Y4-N6 PolarHBondContact O-N 3.4Š| ||
| 5 | L | 39.8 | Very low | 52.5 | Low | 152 Ų | 152 | 111.8 Ų | 111.8 | 80% | 0.796 | 59% | 0.586 | S | S | * | * | trans | -69.7 | 119.9 | 155.6 | -84.4 | 152.4 | 0 | 0 | 0 | 104.5 | K3 S7 | K3-L5 PolarHBondContact O-N 3.19Å; L5-S7 PolarHBondContact O-N 3.14Å | ||
| 6 | N | 47.5 | Very low | 53.4 | Low | 152 Ų | 152 | 114.4 Ų | 114.4 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | trans | -34.2 | 117.5 | 169.6 | -67.4 | -33.2 | 0 | 0 | 0 | 108.5 | Y4 P8 | Y4-N6 PolarHBondContact O-N 3.4Å; N6-P8 WeakPolarHBondContact O-CD 3.49Å; N6-P8 WeakPolarHBondContact O-CG 3.32Å | ||
| 7 | S | 53.5 | Low | 53.7 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 60% | 0.599 | S | S | . | * | trans | -45.2 | 103.2 | -173.4 | -56.7 | 0 | 0 | 0 | 0 | 109.4 | L5 L9 | L5-S7 PolarHBondContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 2.83Å | ||
| 8 | P | 63.9 | Low | 53.6 | Low | 49 Ų | 49 | 113.4 Ų | 113.4 | 32% | 0.318 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 128.3 | -171.1 | -15.8 | 28.5 | 0 | 0 | 0 | 107.2 | N6 I10 Y24 | N6-P8 WeakPolarHBondContact O-CD 3.49Å; N6-P8 WeakPolarHBondContact O-CG 3.32Å; P8-I10 PolarHBondContact O-N 2.86Å; P8-Y24 HydrophobicContact CB-CE1 3.77Å; P8-Y24 WeakPolarHBondContact CB-OH 3.19Å; P8-Y24 HydrophobicContact CG-CE1 4.1Å; P8-Y24 HydrophobicContact CG-CE2 4.15Å; P8-Y24 WeakPolarHBondContact CG-OH 3.28Å; P8-Y24 VanDerWaalsContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CE1 3.43Å |
| 9 | L | 65.2 | Low | 54.1 | Low | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80 | 118.1 | 169.4 | -63.7 | 176.6 | 0 | 0 | 0 | 106.7 | S7 F21 A23 | S7-L9 PolarHBondContact O-N 2.83Å; L9-F21 HydrophobicContact CD2-CD2 3.84Å; L9-F21 HydrophobicContact CD2-CE2 4.35Å; L9-A23 HydrophobicContact CD2-CB 3.97Å |
| 10 | I | 70.8 | Confident | 54.9 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.9 | 167.9 | -73.5 | 168 | 0 | 0 | 0 | 107.6 | P8 I12 F21 V22 Y24 | P8-I10 PolarHBondContact O-N 2.86Å; I10-I12 HydrophobicContact CG2-CG1 4.28Å; I10-I12 PolarHBondContact O-N 2.78Å; I10-F21 WeakPolarHBondContact O-CA 3.39Å; I10-V22 PolarHBondContact N-O 3.06Å; I10-V22 VanDerWaalsContact N-O 3.16Å; I10-V22 PolarHBondContact O-N 3.21Å; I10-Y24 HydrophobicContact CB-CE1 4.39Å; I10-Y24 HydrophobicContact CD1-CD1 4.06Å; I10-Y24 HydrophobicContact CD1-CE1 3.23Å; I10-Y24 HydrophobicContact CG1-CD1 4.46Å; I10-Y24 HydrophobicContact CG1-CE1 3.64Å |
| 11 | D | 67.5 | Low | 55.8 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.9 | 167.4 | -68.8 | -46.9 | 0 | 0 | 0 | 108.8 | R43 | D11-R43 IonicContact OD1-CZ 3.43Å; D11-R43 IonicContact OD1-NE 3.29Å; D11-R43 PolarHBondContact OD1-NE 2.78Å; D11-R43 IonicContact OD1-NH2 2.75Å; D11-R43 PolarHBondContact OD1-NH2 3.28Å; D11-R43 IonicContact OD2-NH2 3.44Å; D11-R43 PolarHBondContact OD2-NH2 3.5Å |
| 12 | I | 66.6 | Low | 57.9 | Low | 49 Ų | 49 | 91.9 Ų | 91.9 | 25% | 0.251 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125 | 175.9 | -57.2 | -169.1 | 0 | 0 | 0 | 108.5 | I10 I14 C20 V22 | I10-I12 HydrophobicContact CG2-CG1 4.28Å; I10-I12 PolarHBondContact O-N 2.78Å; I12-I14 HydrophobicContact CG2-CG1 3.99Å; I12-C20 HydrophobicContact CB-CB 4.46Å; I12-C20 PolarHBondContact N-O 3.4Å; I12-V22 HydrophobicContact CD1-CB 3.92Å; I12-V22 HydrophobicContact CD1-CG2 3.23Å; I12-V22 HydrophobicContact CG1-CB 4.44Å; I12-V22 HydrophobicContact CG1-CG2 3.95Å |
| 13 | K | 62.8 | Low | 60.2 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121.3 | 167 | -158.4 | -177.5 | 179.8 | -167.2 | 0 | 109.4 | G15 D16 L18 | K13-G15 VanDerWaalsContact CE-O 3.24Å; K13-G15 WeakPolarHBondContact CE-O 3.4Å; K13-G15 WeakPolarHBondContact CG-O 3.47Å; K13-D16 WeakPolarHBondContact CE-O 3.27Å; K13-L18 HydrophobicContact CB-CD1 3.57Å; K13-L18 HydrophobicContact CG-CB 4.13Å; K13-L18 HydrophobicContact CG-CD1 3.82Å |
| 14 | I | 62.9 | Low | 62.4 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 109.2 | 172.8 | -55.6 | 177 | 0 | 0 | 0 | 106.9 | I12 C20 P49 L53 | I12-I14 HydrophobicContact CG2-CG1 3.99Å; I14-C20 HydrophobicContact CD1-CB 4.37Å; I14-P49 HydrophobicContact CD1-CB 4.48Å; I14-L53 HydrophobicContact CD1-CB 4.09Å; I14-L53 HydrophobicContact CD1-CD1 3.89Å; I14-L53 HydrophobicContact CD1-CD2 4.48Å; I14-L53 HydrophobicContact CD1-CG 4.39Å |
| 15 | G | 62.5 | Low | 64.2 | Low | 60 Ų | 60 | 74.8 Ų | 74.8 | 62% | 0.619 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -140.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | K13 | K13-G15 VanDerWaalsContact CE-O 3.24Å; K13-G15 WeakPolarHBondContact CE-O 3.4Å; K13-G15 WeakPolarHBondContact CG-O 3.47Å |
| 16 | D | 66.2 | Low | 66 | Low | 154 Ų | 154 | 69.8 Ų | 69.8 | 82% | 0.824 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -16 | 178.1 | -71.6 | -34.6 | 0 | 0 | 0 | 113.7 | K13 | K13-D16 WeakPolarHBondContact CE-O 3.27Š|
| 17 | K | 58.1 | Low | 67.3 | Low | 132 Ų | 132 | 65.1 Ų | 65.1 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 104 | -178.3 | -64 | -177.6 | 177.1 | -176.8 | 0 | 109.3 | D46 | K17-D46 IonicContact NZ-OD2 3.84Å |
| 18 | L | 53 | Low | 68.4 | Low | 78 Ų | 78 | 69.1 Ų | 69.1 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 138.7 | 163 | -168.2 | 86.9 | 0 | 0 | 0 | 107.4 | K13 | K13-L18 HydrophobicContact CB-CD1 3.57Å; K13-L18 HydrophobicContact CG-CB 4.13Å; K13-L18 HydrophobicContact CG-CD1 3.82Å |
| 19 | D | 63.1 | Low | 68.9 | Low | 46 Ų | 46 | 74.4 Ų | 74.4 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 14.9 | 140.2 | -89.8 | -17.9 | 0 | 0 | 0 | 114 | V42 R43 S44 | D19-V42 HydrophobicContact CB-CG1 4.35Å; D19-V42 CarbonylContact O-C 3.28Å; D19-V42 VanDerWaalsContact O-CA 3.28Å; D19-V42 WeakPolarHBondContact O-CA 3.06Å; D19-R43 HydrophobicContact CB-CB 3.9Å; D19-R43 PolarHBondContact O-N 3.1Å; D19-S44 WeakPolarHBondContact OD2-CB 3.49Å |
| 20 | C | 70.3 | Confident | 69.6 | Low | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.1 | 171.6 | -67.7 | 0 | 0 | 0 | 0 | 111 | I12 I14 I40 G41 | I12-C20 HydrophobicContact CB-CB 4.46Å; I12-C20 PolarHBondContact N-O 3.4Å; I14-C20 HydrophobicContact CD1-CB 4.37Å; C20-I40 HydrophobicContact CB-CG2 4.41Å; C20-G41 CarbonylContact C-O 3.45Å; C20-G41 WeakPolarHBondContact CA-O 3.44Å |
| 21 | F | 73.8 | Confident | 70.1 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 27% | 0.272 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145 | 162.5 | 62.5 | -94.9 | 0 | 0 | 0 | 109.6 | L9 I10 I40 G41 R43 | L9-F21 HydrophobicContact CD2-CD2 3.84Å; L9-F21 HydrophobicContact CD2-CE2 4.35Å; I10-F21 WeakPolarHBondContact O-CA 3.39Å; F21-I40 WeakPolarHBondContact O-CA 3.33Å; F21-G41 PolarHBondContact N-O 2.79Å; F21-G41 PolarHBondContact O-N 2.94Å; F21-R43 HydrophobicContact CD1-CG 4.06Å; F21-R43 HydrophobicContact CE1-CG 4.49Å |
| 22 | V | 75.1 | Confident | 70.3 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 109.7 | I10 I12 I37 S39 I40 | I10-V22 PolarHBondContact N-O 3.06Å; I10-V22 VanDerWaalsContact N-O 3.16Å; I10-V22 PolarHBondContact O-N 3.21Å; I12-V22 HydrophobicContact CD1-CB 3.92Å; I12-V22 HydrophobicContact CD1-CG2 3.23Å; I12-V22 HydrophobicContact CG1-CB 4.44Å; I12-V22 HydrophobicContact CG1-CG2 3.95Å; V22-I37 HydrophobicContact CG1-CB 4.26Å; V22-I37 HydrophobicContact CG1-CD1 4.26Å; V22-I37 HydrophobicContact CG1-CG1 3.89Å; V22-I37 HydrophobicContact CG1-CG2 3.73Å; V22-S39 WeakPolarHBondContact CA-O 3.46Å; V22-I40 HydrophobicContact CG2-CB 4.42Å; V22-I40 HydrophobicContact CG2-CD1 4.33Å; V22-I40 HydrophobicContact CG2-CG1 4.01Å; V22-I40 HydrophobicContact CG2-CG2 4.06Å |
| 23 | A | 74.8 | Confident | 70.7 | Confident | 11 Ų | 11 | 81 Ų | 81 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | L9 L38 S39 | L9-A23 HydrophobicContact CD2-CB 3.97Å; A23-L38 HydrophobicContact CB-CB 4.4Å; A23-L38 WeakPolarHBondContact O-CB 3.36Å; A23-L38 PolarHBondContact O-N 2.94Å; A23-S39 WeakPolarHBondContact CB-OG 3.13Å; A23-S39 PolarHBondContact N-O 3.03Å; A23-S39 PolarHBondContact O-N 3.49Å |
| 24 | Y | 74.3 | Confident | 71.1 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 13% | 0.125 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.5 | 179 | 69 | -87.9 | 0 | 0 | 0 | 111.9 | P8 I10 A26 Y35 N36 | P8-Y24 HydrophobicContact CB-CE1 3.77Å; P8-Y24 WeakPolarHBondContact CB-OH 3.19Å; P8-Y24 HydrophobicContact CG-CE1 4.1Å; P8-Y24 HydrophobicContact CG-CE2 4.15Å; P8-Y24 WeakPolarHBondContact CG-OH 3.28Å; P8-Y24 VanDerWaalsContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CD1 3.27Å; P8-Y24 WeakPolarHBondContact O-CE1 3.43Å; I10-Y24 HydrophobicContact CB-CE1 4.39Å; I10-Y24 HydrophobicContact CD1-CD1 4.06Å; I10-Y24 HydrophobicContact CD1-CE1 3.23Å; I10-Y24 HydrophobicContact CG1-CD1 4.46Å; I10-Y24 HydrophobicContact CG1-CE1 3.64Å; Y24-A26 HydrophobicContact CD2-CB 4.35Å; Y24-A26 HydrophobicContact CE2-CB 4.02Å; Y24-Y35 AromaticContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CD1 3.5Å; Y24-Y35 VanDerWaalsContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CE1 4.37Å; Y24-Y35 HydrophobicContact CD2-CG 4.33Å; Y24-Y35 AromaticContact CE2-CD1 3.35Å; Y24-Y35 HydrophobicContact CE2-CD1 3.35Å; Y24-Y35 AromaticContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CG-CD1 4.34Å; Y24-N36 CarbonylContact C-O 3.47Å; Y24-N36 WeakPolarHBondContact CA-O 3.45Å; Y24-N36 WeakPolarHBondContact CB-O 3.43Å |
| 25 | K | 76.1 | Confident | 71.5 | Confident | 117 Ų | 117 | 76.6 Ų | 76.6 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.2 | 169.5 | 179.8 | -176.8 | 175.7 | -175.5 | 0 | 109.8 | N36 L38 | K25-N36 HydrophobicContact CB-CB 4.46Å; K25-N36 PolarHBondContact N-O 2.76Å; K25-N36 PolarHBondContact O-N 3.16Å; K25-N36 PolarHBondContact O-ND2 3.49Å; K25-L38 HydrophobicContact CB-CD1 4.29Å; K25-L38 HydrophobicContact CB-CD2 4.16Å; K25-L38 HydrophobicContact CB-CG 4.28Å |
| 26 | A | 78 | Confident | 71.7 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 40% | 0.397 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y24 M33 V34 Y35 | Y24-A26 HydrophobicContact CD2-CB 4.35Å; Y24-A26 HydrophobicContact CE2-CB 4.02Å; A26-M33 HydrophobicContact CB-CG 4.31Å; A26-M33 HydrophobicContact CB-SD 4.19Å; A26-V34 CarbonylContact C-O 3.33Å; A26-V34 WeakPolarHBondContact CA-O 3.48Å; A26-Y35 HydrophobicContact CB-CD1 4.08Å; A26-Y35 HydrophobicContact CB-CE1 4.14Å |
| 27 | T | 75.1 | Confident | 72.1 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.7 | 173 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | V34 | T27-V34 PolarHBondContact N-O 3.29Å; T27-V34 PolarHBondContact O-N 2.75Å |
| 28 | Y | 76.6 | Confident | 72.7 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 57% | 0.569 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.8 | 174.8 | -163.3 | -110.4 | 0 | 0 | 0 | 109.7 | H31 T32 M33 | Y28-H31 VanDerWaalsContact CZ-CA 3.48Å; Y28-H31 VanDerWaalsContact OH-CA 3.32Å; Y28-H31 WeakPolarHBondContact OH-CA 3.4Å; Y28-H31 PolarHBondContact OH-O 3.42Å; Y28-T32 WeakPolarHBondContact CA-O 3.49Å; Y28-M33 HydrophobicContact CD2-CB 4.25Å; Y28-M33 HydrophobicContact CD2-CE 4.39Å |
| 29 | W | 73.9 | Confident | 73.5 | Confident | 160 Ų | 160 | 69.5 Ų | 69.5 | 61% | 0.606 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.7 | -179.6 | -174.8 | 60.2 | 0 | 0 | 0 | 110.6 | H31 T32 | W29-H31 VanDerWaalsContact C-N 3.3Å; W29-H31 PolarHBondContact O-N 2.88Å; W29-T32 PolarHBondContact N-O 3.2Å; W29-T32 WeakPolarHBondContact O-CB 3.5Å; W29-T32 PolarHBondContact O-N 3.12Å |
| 30 | K | 79.2 | Confident | 74.1 | Confident | 151 Ų | 151 | 69.9 Ų | 69.9 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 47.2 | 176.3 | -62.5 | -179.3 | 176.9 | 179.1 | 0 | 114.1 | T32 | K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 3.34Å |
| 31 | H | 81.5 | Confident | 74.1 | Confident | 162 Ų | 162 | 70.6 Ų | 70.6 | 75% | 0.75 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 4 | -176.6 | -49.3 | -78.5 | 0 | 0 | 0 | 116.8 | Y28 W29 | Y28-H31 VanDerWaalsContact CZ-CA 3.48Å; Y28-H31 VanDerWaalsContact OH-CA 3.32Å; Y28-H31 WeakPolarHBondContact OH-CA 3.4Å; Y28-H31 PolarHBondContact OH-O 3.42Å; W29-H31 VanDerWaalsContact C-N 3.3Å; W29-H31 PolarHBondContact O-N 2.88Å |
| 32 | T | 71.7 | Confident | 74.1 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.2 | 177.2 | -54 | 0 | 0 | 0 | 0 | 110.4 | Y28 W29 K30 V34 I67 | Y28-T32 WeakPolarHBondContact CA-O 3.49Å; W29-T32 PolarHBondContact N-O 3.2Å; W29-T32 WeakPolarHBondContact O-CB 3.5Å; W29-T32 PolarHBondContact O-N 3.12Å; K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 PolarHBondContact O-N 3.34Å; T32-V34 HydrophobicContact CG2-CG2 4.42Å; T32-I67 HydrophobicContact CG2-CG2 4.41Å |
| 33 | M | 75.1 | Confident | 73.9 | Confident | 64 Ų | 64 | 76 Ų | 76 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.3 | 167.8 | -162 | 167.1 | -63 | 0 | 0 | 109.8 | A26 Y28 Y35 | A26-M33 HydrophobicContact CB-CG 4.31Å; A26-M33 HydrophobicContact CB-SD 4.19Å; Y28-M33 HydrophobicContact CD2-CB 4.25Å; Y28-M33 HydrophobicContact CD2-CE 4.39Å; M33-Y35 HydrophobicContact CB-CE2 3.92Å; M33-Y35 HydrophobicContact CG-CD2 4.32Å; M33-Y35 HydrophobicContact CG-CE1 4.38Å; M33-Y35 HydrophobicContact CG-CE2 3.68Å; M33-Y35 HydrophobicContact SD-CE1 3.99Å; M33-Y35 HydrophobicContact SD-CE2 4.05Å; M33-Y35 PolarHBondContact SD-OH 3.44Å |
| 34 | V | 71.8 | Confident | 73.8 | Confident | 28 Ų | 28 | 77 Ų | 77 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.9 | -179.9 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | A26 T27 T32 | A26-V34 CarbonylContact C-O 3.33Å; A26-V34 WeakPolarHBondContact CA-O 3.48Å; T27-V34 PolarHBondContact N-O 3.29Å; T27-V34 PolarHBondContact O-N 2.75Å; T32-V34 HydrophobicContact CG2-CG2 4.42Å |
| 35 | Y | 71.9 | Confident | 73.7 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 13% | 0.129 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 103.9 | 177.5 | -54.8 | -105.2 | 0 | 0 | 0 | 109 | Y24 A26 M33 L66 M68 | Y24-Y35 AromaticContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CD1 3.5Å; Y24-Y35 VanDerWaalsContact CD2-CD1 3.5Å; Y24-Y35 HydrophobicContact CD2-CE1 4.37Å; Y24-Y35 HydrophobicContact CD2-CG 4.33Å; Y24-Y35 AromaticContact CE2-CD1 3.35Å; Y24-Y35 HydrophobicContact CE2-CD1 3.35Å; Y24-Y35 AromaticContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CE2-CE1 3.78Å; Y24-Y35 HydrophobicContact CG-CD1 4.34Å; A26-Y35 HydrophobicContact CB-CD1 4.08Å; A26-Y35 HydrophobicContact CB-CE1 4.14Å; M33-Y35 HydrophobicContact CB-CE2 3.92Å; M33-Y35 HydrophobicContact CG-CD2 4.32Å; M33-Y35 HydrophobicContact CG-CE1 4.38Å; M33-Y35 HydrophobicContact CG-CE2 3.68Å; M33-Y35 HydrophobicContact SD-CE1 3.99Å; M33-Y35 HydrophobicContact SD-CE2 4.05Å; M33-Y35 PolarHBondContact SD-OH 3.44Å; Y35-L66 VanDerWaalsContact CB-O 3.28Å; Y35-L66 WeakPolarHBondContact CB-O 3.37Å; Y35-L66 VanDerWaalsContact CD2-O 3.27Å; Y35-L66 WeakPolarHBondContact CD2-O 3.24Å; Y35-M68 HydrophobicContact CD2-CB 4.38Å; Y35-M68 HydrophobicContact CE2-CB 3.74Å; Y35-M68 HydrophobicContact CE2-CG 4.23Å |
| 36 | N | 66.7 | Low | 73.7 | Confident | 59 Ų | 59 | 81.1 Ų | 81.1 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.7 | 175.7 | -62 | -87.2 | 0 | 0 | 0 | 108.5 | Y24 K25 L38 | Y24-N36 CarbonylContact C-O 3.47Å; Y24-N36 WeakPolarHBondContact CA-O 3.45Å; Y24-N36 WeakPolarHBondContact CB-O 3.43Å; K25-N36 HydrophobicContact CB-CB 4.46Å; K25-N36 PolarHBondContact N-O 2.76Å; K25-N36 PolarHBondContact O-N 3.16Å; K25-N36 PolarHBondContact O-ND2 3.49Å; N36-L38 PolarHBondContact O-N 2.82Å |
| 37 | I | 74.2 | Confident | 73.6 | Confident | 50 Ų | 50 | 83.7 Ų | 83.7 | 26% | 0.256 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125 | 174.4 | -61.9 | 179.9 | 0 | 0 | 0 | 108.8 | V22 I40 I63 | V22-I37 HydrophobicContact CG1-CB 4.26Å; V22-I37 HydrophobicContact CG1-CD1 4.26Å; V22-I37 HydrophobicContact CG1-CG1 3.89Å; V22-I37 HydrophobicContact CG1-CG2 3.73Å; I37-I40 HydrophobicContact CG2-CD1 4.04Å; I37-I40 HydrophobicContact CG2-CG1 3.72Å; I37-I63 HydrophobicContact CD1-CG2 3.9Å; I37-I63 WeakPolarHBondContact CD1-O 3.45Å |
| 38 | L | 71.4 | Confident | 73.6 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -45.7 | 176.5 | -61.2 | 177.1 | 0 | 0 | 0 | 110.9 | A23 K25 N36 | A23-L38 HydrophobicContact CB-CB 4.4Å; A23-L38 WeakPolarHBondContact O-CB 3.36Å; A23-L38 PolarHBondContact O-N 2.94Å; K25-L38 HydrophobicContact CB-CD1 4.29Å; K25-L38 HydrophobicContact CB-CD2 4.16Å; K25-L38 HydrophobicContact CB-CG 4.28Å; N36-L38 PolarHBondContact O-N 2.82Å |
| 39 | S | 68.9 | Low | 73.4 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 157.4 | 178.7 | 62 | 0 | 0 | 0 | 0 | 110.9 | V22 A23 | V22-S39 WeakPolarHBondContact CA-O 3.46Å; A23-S39 WeakPolarHBondContact CB-OG 3.13Å; A23-S39 PolarHBondContact N-O 3.03Å; A23-S39 PolarHBondContact O-N 3.49Å |
| 40 | I | 75.5 | Confident | 73.3 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.9 | 176.6 | -48.6 | -170.7 | 0 | 0 | 0 | 106.5 | C20 F21 V22 I37 L50 L53 | C20-I40 HydrophobicContact CB-CG2 4.41Å; F21-I40 WeakPolarHBondContact O-CA 3.33Å; V22-I40 HydrophobicContact CG2-CB 4.42Å; V22-I40 HydrophobicContact CG2-CD1 4.33Å; V22-I40 HydrophobicContact CG2-CG1 4.01Å; V22-I40 HydrophobicContact CG2-CG2 4.06Å; I37-I40 HydrophobicContact CG2-CD1 4.04Å; I37-I40 HydrophobicContact CG2-CG1 3.72Å; I40-L50 HydrophobicContact CB-CD1 4.47Å; I40-L50 HydrophobicContact CG2-CD1 4.18Å; I40-L53 HydrophobicContact CD1-CD2 3.32Å; I40-L53 HydrophobicContact CG1-CD2 4.49Å; I40-L53 HydrophobicContact CG2-CD2 3.88Å |
| 41 | G | 71.7 | Confident | 73 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 17% | 0.165 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | C20 F21 | C20-G41 CarbonylContact C-O 3.45Å; C20-G41 WeakPolarHBondContact CA-O 3.44Å; F21-G41 PolarHBondContact N-O 2.79Å; F21-G41 PolarHBondContact O-N 2.94Å |
| 42 | V | 73.7 | Confident | 72.7 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | D19 S44 D46 L50 | D19-V42 HydrophobicContact CB-CG1 4.35Å; D19-V42 CarbonylContact O-C 3.28Å; D19-V42 VanDerWaalsContact O-CA 3.28Å; D19-V42 WeakPolarHBondContact O-CA 3.06Å; V42-S44 VanDerWaalsContact CG1-OG 3.25Å; V42-S44 WeakPolarHBondContact CG1-OG 3.41Å; V42-D46 WeakPolarHBondContact CG1-O 3.37Å; V42-L50 HydrophobicContact CG2-CB 3.87Å |
| 43 | R | 71.1 | Confident | 72.7 | Confident | 150 Ų | 150 | 64.2 Ų | 64.2 | 57% | 0.566 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -80.9 | -30.8 | 178 | -62.4 | 179.2 | 178.1 | -116 | 7.8 | 111.9 | D11 D19 F21 | D11-R43 IonicContact OD1-CZ 3.43Å; D11-R43 IonicContact OD1-NE 3.29Å; D11-R43 PolarHBondContact OD1-NE 2.78Å; D11-R43 IonicContact OD1-NH2 2.75Å; D11-R43 PolarHBondContact OD1-NH2 3.28Å; D11-R43 IonicContact OD2-NH2 3.44Å; D11-R43 PolarHBondContact OD2-NH2 3.5Å; D19-R43 HydrophobicContact CB-CB 3.9Å; D19-R43 PolarHBondContact O-N 3.1Å; F21-R43 HydrophobicContact CD1-CG 4.06Å; F21-R43 HydrophobicContact CE1-CG 4.49Å |
| 44 | S | 72.1 | Confident | 72.4 | Confident | 33 Ų | 33 | 64 Ų | 64 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.1 | 154.2 | 174.8 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | D19 V42 D46 | D19-S44 WeakPolarHBondContact OD2-CB 3.49Å; V42-S44 VanDerWaalsContact CG1-OG 3.25Å; V42-S44 WeakPolarHBondContact CG1-OG 3.41Å; S44-D46 PolarHBondContact O-N 3.26Å; S44-D46 PolarHBondContact OG-O 2.8Å |
| 45 | N | 72 | Confident | 72.3 | Confident | 172 Ų | 172 | 67 Ų | 67 | 92% | 0.92 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -69.9 | -13.4 | 165.2 | -70.1 | -23.9 | 0 | 0 | 0 | 112.6 | L47 | N45-L47 PolarHBondContact O-N 2.75Š|
| 46 | D | 76.4 | Confident | 72.1 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | trans | -77.1 | 112.9 | 172.5 | -175.9 | 6.8 | 0 | 0 | 0 | 109.5 | K17 V42 S44 S48 P49 | K17-D46 IonicContact NZ-OD2 3.84Å; V42-D46 WeakPolarHBondContact CG1-O 3.37Å; S44-D46 PolarHBondContact O-N 3.26Å; S44-D46 PolarHBondContact OG-O 2.8Å; D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.2Å; D46-S48 PolarHBondContact OD1-N 2.64Å; D46-S48 PolarHBondContact OD1-OG 2.83Å; D46-P49 WeakPolarHBondContact O-CD 3.39Å | ||
| 47 | L | 74.5 | Confident | 72 | Confident | 102 Ų | 102 | 68 Ų | 68 | 53% | 0.534 | 37% | 0.369 | S | S | . | . | trans | -85.8 | 1 | 178.5 | -64.5 | 178.3 | 0 | 0 | 0 | 113.3 | N45 P49 L50 N51 | N45-L47 PolarHBondContact O-N 2.75Å; L47-P49 VanDerWaalsContact C-N 3.31Å; L47-L50 PolarHBondContact O-N 3.01Å; L47-L50 VanDerWaalsContact O-N 3.07Å; L47-N51 PolarHBondContact O-N 2.89Å; L47-N51 VanDerWaalsContact O-N 3.14Å | ||
| 48 | S | 77.1 | Confident | 71.4 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -51.8 | -41.9 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | D46 L50 N51 E52 | D46-S48 VanDerWaalsContact C-N 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.2Å; D46-S48 PolarHBondContact OD1-N 2.64Å; D46-S48 PolarHBondContact OD1-OG 2.83Å; S48-L50 VanDerWaalsContact C-N 3.31Å; S48-L50 PolarHBondContact O-N 3.29Å; S48-N51 PolarHBondContact O-N 2.82Å; S48-E52 PolarHBondContact O-N 3.43Å |
| 49 | P | 71.9 | Confident | 70.8 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62 | -35.7 | 178.1 | -24.2 | 35.7 | 0 | 0 | 0 | 113.6 | I14 D46 L47 L53 | I14-P49 HydrophobicContact CD1-CB 4.48Å; D46-P49 WeakPolarHBondContact O-CD 3.39Å; L47-P49 VanDerWaalsContact C-N 3.31Å; P49-L53 WeakPolarHBondContact O-CB 3.28Å; P49-L53 PolarHBondContact O-N 2.87Å |
| 50 | L | 72.2 | Confident | 69.8 | Low | 52 Ų | 52 | 75 Ų | 75 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.8 | -40.2 | 177.7 | -172.4 | 64.6 | 0 | 0 | 0 | 111 | I40 V42 L47 S48 L53 C54 | I40-L50 HydrophobicContact CB-CD1 4.47Å; I40-L50 HydrophobicContact CG2-CD1 4.18Å; V42-L50 HydrophobicContact CG2-CB 3.87Å; L47-L50 PolarHBondContact O-N 3.01Å; L47-L50 VanDerWaalsContact O-N 3.07Å; S48-L50 VanDerWaalsContact C-N 3.31Å; S48-L50 PolarHBondContact O-N 3.29Å; L50-L53 PolarHBondContact O-N 3.16Å; L50-C54 WeakPolarHBondContact O-CB 3.25Å; L50-C54 PolarHBondContact O-N 3.42Å; L50-C54 PolarHBondContact O-SG 2.59Å |
| 51 | N | 72.3 | Confident | 68.5 | Low | 96 Ų | 96 | 82 Ų | 82 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176 | -73.3 | -21.8 | 0 | 0 | 0 | 111.7 | L47 S48 L53 C54 N55 | L47-N51 PolarHBondContact O-N 2.89Å; L47-N51 VanDerWaalsContact O-N 3.14Å; S48-N51 PolarHBondContact O-N 2.82Å; N51-L53 VanDerWaalsContact C-N 3.35Å; N51-C54 PolarHBondContact O-N 2.87Å; N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.28Å; N51-N55 PolarHBondContact O-ND2 2.95Å |
| 52 | E | 75.6 | Confident | 67.4 | Low | 101 Ų | 101 | 88.6 Ų | 88.6 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 173.4 | -74.7 | 178.6 | -152.8 | 0 | 0 | 111.5 | S48 N55 L56 | S48-E52 PolarHBondContact O-N 3.43Å; E52-N55 PolarHBondContact O-N 2.88Å; E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.3Å |
| 53 | L | 71.5 | Confident | 66.4 | Low | 23 Ų | 23 | 89.2 Ų | 89.2 | 12% | 0.12 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.9 | -166.2 | 71.6 | 0 | 0 | 0 | 112.3 | I14 I40 P49 L50 N51 L56 S57 I63 | I14-L53 HydrophobicContact CD1-CB 4.09Å; I14-L53 HydrophobicContact CD1-CD1 3.89Å; I14-L53 HydrophobicContact CD1-CD2 4.48Å; I14-L53 HydrophobicContact CD1-CG 4.39Å; I40-L53 HydrophobicContact CD1-CD2 3.32Å; I40-L53 HydrophobicContact CG1-CD2 4.49Å; I40-L53 HydrophobicContact CG2-CD2 3.88Å; P49-L53 WeakPolarHBondContact O-CB 3.28Å; P49-L53 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.16Å; N51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 2.93Å; L53-S57 PolarHBondContact O-N 3.37Å; L53-I63 HydrophobicContact CD1-CD1 3.53Å; L53-I63 HydrophobicContact CG-CD1 3.84Å; L53-I63 WeakPolarHBondContact O-CD1 3.37Å |
| 54 | C | 68.2 | Low | 65.1 | Low | 58 Ų | 58 | 89 Ų | 89 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.1 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L50 N51 S57 N58 | L50-C54 WeakPolarHBondContact O-CB 3.25Å; L50-C54 PolarHBondContact O-N 3.42Å; L50-C54 PolarHBondContact O-SG 2.59Å; N51-C54 PolarHBondContact O-N 2.87Å; C54-S57 PolarHBondContact O-N 3.2Å; C54-N58 WeakPolarHBondContact O-CB 3.4Å; C54-N58 VanDerWaalsContact O-CG 3.27Å; C54-N58 PolarHBondContact O-N 2.99Å; C54-N58 PolarHBondContact O-ND2 3.36Å |
| 55 | N | 69 | Low | 63.8 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 175.1 | -74.4 | -21.7 | 0 | 0 | 0 | 111.5 | N51 E52 S57 N58 N59 | N51-N55 WeakPolarHBondContact O-CB 3.29Å; N51-N55 PolarHBondContact O-N 3.28Å; N51-N55 PolarHBondContact O-ND2 2.95Å; E52-N55 PolarHBondContact O-N 2.88Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-S57 PolarHBondContact O-N 3.32Å; N55-N58 PolarHBondContact O-N 2.97Å; N55-N59 VanDerWaalsContact O-CB 3.25Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 PolarHBondContact O-N 3.07Å; N55-N59 PolarHBondContact O-ND2 3.33Å; N55-N59 VanDerWaalsContact O-ND2 3.16Å |
| 56 | L | 68.7 | Low | 62.5 | Low | 84 Ų | 84 | 86.8 Ų | 86.8 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.3 | -73.4 | 170.7 | 0 | 0 | 0 | 111.5 | E52 L53 N60 I63 | E52-L56 WeakPolarHBondContact O-CB 3.44Å; E52-L56 VanDerWaalsContact O-CG 3.29Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.3Å; L53-L56 PolarHBondContact O-N 2.93Å; L56-N60 WeakPolarHBondContact O-CA 3.48Å; L56-N60 WeakPolarHBondContact O-CB 3.36Å; L56-N60 PolarHBondContact O-N 3.14Å; L56-I63 HydrophobicContact CB-CD1 4.12Å |
| 57 | S | 63.8 | Low | 60.8 | Low | 29 Ų | 29 | 89.2 Ų | 89.2 | 20% | 0.203 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 113.8 | L53 C54 N55 N60 | L53-S57 PolarHBondContact O-N 3.37Å; C54-S57 PolarHBondContact O-N 3.2Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-S57 PolarHBondContact O-N 3.32Å; S57-N60 CarbonylContact C-O 3.53Å; S57-N60 VanDerWaalsContact C-O 3.28Å; S57-N60 WeakPolarHBondContact CA-O 3.19Å; S57-N60 CarbonylContact O-C 3.45Å |
| 58 | N | 62.9 | Low | 59 | Low | 128 Ų | 128 | 89 Ų | 89 | 68% | 0.684 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -74.5 | -37.6 | 178.9 | -74.5 | -20.3 | 0 | 0 | 0 | 111.1 | C54 N55 | C54-N58 WeakPolarHBondContact O-CB 3.4Å; C54-N58 VanDerWaalsContact O-CG 3.27Å; C54-N58 PolarHBondContact O-N 2.99Å; C54-N58 PolarHBondContact O-ND2 3.36Å; N55-N58 PolarHBondContact O-N 2.97Å |
| 59 | N | 57.9 | Low | 56.7 | Low | 133 Ų | 133 | 91.8 Ų | 91.8 | 71% | 0.711 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.4 | -34.9 | 179.6 | -68.1 | -25.6 | 0 | 0 | 0 | 112.4 | N55 | N55-N59 VanDerWaalsContact O-CB 3.25Å; N55-N59 WeakPolarHBondContact O-CB 3.25Å; N55-N59 PolarHBondContact O-N 3.07Å; N55-N59 PolarHBondContact O-ND2 3.33Å; N55-N59 VanDerWaalsContact O-ND2 3.16Å |
| 60 | N | 48.7 | Very low | 54.7 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -119.6 | 112.8 | 172.9 | -66 | -47.2 | 0 | 0 | 0 | 107.6 | L56 S57 M62 | L56-N60 WeakPolarHBondContact O-CA 3.48Å; L56-N60 WeakPolarHBondContact O-CB 3.36Å; L56-N60 PolarHBondContact O-N 3.14Å; S57-N60 CarbonylContact C-O 3.53Å; S57-N60 VanDerWaalsContact C-O 3.28Å; S57-N60 WeakPolarHBondContact CA-O 3.19Å; S57-N60 CarbonylContact O-C 3.45Å; N60-M62 HydrophobicContact CB-CB 4.38Å; N60-M62 PolarHBondContact O-N 2.9Å |
| 61 | K | 48.1 | Very low | 53.9 | Low | 201 Ų | 201 | 104.3 Ų | 104.3 | 87% | 0.874 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 27.4 | 179.3 | -64.5 | 179.8 | 176.6 | 177.1 | 0 | 115.3 | ||
| 62 | M | 47.6 | Very low | 52.9 | Low | 154 Ų | 154 | 104.7 Ų | 104.7 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 1.5 | -156.7 | -156.2 | 176 | -143.4 | 0 | 0 | 115 | N60 | N60-M62 HydrophobicContact CB-CB 4.38Å; N60-M62 PolarHBondContact O-N 2.9Å |
| 63 | I | 52 | Low | 51.6 | Low | 43 Ų | 43 | 104.9 Ų | 104.9 | 22% | 0.221 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | -13.5 | 176.5 | -55.7 | -166.8 | 0 | 0 | 0 | 112.8 | I37 L53 L56 N65 | I37-I63 HydrophobicContact CD1-CG2 3.9Å; I37-I63 WeakPolarHBondContact CD1-O 3.45Å; L53-I63 HydrophobicContact CD1-CD1 3.53Å; L53-I63 HydrophobicContact CG-CD1 3.84Å; L53-I63 WeakPolarHBondContact O-CD1 3.37Å; L56-I63 HydrophobicContact CB-CD1 4.12Å; I63-N65 PolarHBondContact O-N 3.32Å; I63-N65 VanDerWaalsContact O-N 3.12Å |
| 64 | H | 45.4 | Very low | 50.5 | Low | 145 Ų | 145 | 109.8 Ų | 109.8 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -24.3 | 177.5 | -79.3 | -76.2 | 0 | 0 | 0 | 113.6 | ||
| 65 | N | 43.8 | Very low | 49.4 | Very low | 81 Ų | 81 | 113 Ų | 113 | 43% | 0.433 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -136.6 | 100.5 | 178.7 | -63 | -49.7 | 0 | 0 | 0 | 110.1 | I63 I67 | I63-N65 PolarHBondContact O-N 3.32Å; I63-N65 VanDerWaalsContact O-N 3.12Å; N65-I67 HydrophobicContact CB-CG1 4.24Å; N65-I67 PolarHBondContact O-N 3.44Å; N65-I67 VanDerWaalsContact O-N 3.1Å |
| 66 | L | 45.6 | Very low | 48 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 41% | 0.414 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.8 | 101.5 | 162.3 | -173.6 | 71.5 | 0 | 0 | 0 | 106.8 | Y35 M68 | Y35-L66 VanDerWaalsContact CB-O 3.28Å; Y35-L66 WeakPolarHBondContact CB-O 3.37Å; Y35-L66 VanDerWaalsContact CD2-O 3.27Å; Y35-L66 WeakPolarHBondContact CD2-O 3.24Å; L66-M68 HydrophobicContact CD2-CG 4.22Å; L66-M68 HydrophobicContact CD2-SD 4.31Å; L66-M68 HydrophobicContact CG-CG 4.15Å |
| 67 | I | 40.9 | Very low | 46.6 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 59% | 0.585 | 61% | 0.607 | S | S | * | * | trans | -91.2 | 105.2 | 171.7 | -57.3 | 174.7 | 0 | 0 | 0 | 106.1 | T32 N65 | T32-I67 HydrophobicContact CG2-CG2 4.41Å; N65-I67 HydrophobicContact CB-CG1 4.24Å; N65-I67 PolarHBondContact O-N 3.44Å; N65-I67 VanDerWaalsContact O-N 3.1Å | ||
| 68 | M | 36.8 | Very low | 45.2 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 47% | 0.473 | 64% | 0.638 | S | S | . | * | trans | -88.9 | 119.9 | 164.7 | -60.3 | -173.6 | 67.1 | 0 | 0 | 107.4 | Y35 L66 | Y35-M68 HydrophobicContact CD2-CB 4.38Å; Y35-M68 HydrophobicContact CE2-CB 3.74Å; Y35-M68 HydrophobicContact CE2-CG 4.23Å; L66-M68 HydrophobicContact CD2-CG 4.22Å; L66-M68 HydrophobicContact CD2-SD 4.31Å; L66-M68 HydrophobicContact CG-CG 4.15Å | ||
| 69 | S | 27.2 | Very low | 43.8 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 63% | 0.634 | S | S | * | * | trans | -77.8 | 148.4 | 165.6 | 61.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 70 | D | 31.4 | Very low | 42.5 | Very low | 218 Ų | 218 | 121.9 Ų | 121.9 | 100% | 1.166 | 63% | 0.627 | S | S | * | * | trans | -52.6 | 0 | 170.2 | -66 | -24.6 | 0 | 0 | 0 | 112.3 |
Retrieved 70 of 70 residues in 34.4 ms
(Link to these results)