| 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 | 92.8 | Very high | 85.8 | Confident | 38 Ų | 38 | 22 Ų | 22 | 19% | 0.187 | 12% | 0.121 | C | C | . | . | 0 | -36.9 | 0 | -79.9 | -62.1 | -67.6 | 0 | 0 | 113.5 | G3 I4 I27 I31 L46 A47 V48 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.44Å; M1-G3 VanDerWaalsContact O-N 3.14Å; M1-I4 HydrophobicContact CE-CD1 4.16Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 2.77Å; M1-I4 HydrophobicContact SD-CD1 3.97Å; M1-I27 HydrophobicContact CE-CG2 3.77Å; M1-I31 HydrophobicContact CE-CD1 3.72Å; M1-I31 HydrophobicContact CE-CG1 3.87Å; M1-I31 HydrophobicContact SD-CD1 4.44Å; M1-I31 HydrophobicContact SD-CG1 4.25Å; M1-L46 HydrophobicContact SD-CD2 4.1Å; M1-A47 WeakPolarHBondContact CA-O 3.44Å; M1-A47 WeakPolarHBondContact CB-O 3.45Å; M1-A47 WeakPolarHBondContact CG-O 3.37Å; M1-A47 PolarHBondContact N-O 3.49Å; M1-V48 HydrophobicContact CB-CB 4.46Å; M1-V48 HydrophobicContact CB-CG2 3.8Å; M1-V48 HydrophobicContact CG-CG2 3.77Å | |||
| 2 | N | 91.6 | Very high | 83.9 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.144 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -31.1 | -156.6 | -72.5 | 28.3 | 0 | 0 | 0 | 115.7 | I4 L5 H6 D49 | N2-I4 VanDerWaalsContact C-N 3.26Å; N2-I4 PolarHBondContact O-N 2.94Å; N2-L5 WeakPolarHBondContact O-CA 3.44Å; N2-L5 WeakPolarHBondContact O-CB 3.38Å; N2-L5 PolarHBondContact O-N 2.95Å; N2-H6 PolarHBondContact O-CD2 2.96Å; N2-H6 PolarHBondContact O-N 2.93Å; N2-H6 VanDerWaalsContact O-N 3.15Å; N2-D49 VanDerWaalsContact CG-CG 3.47Å; N2-D49 WeakPolarHBondContact ND2-CB 3.44Å; N2-D49 PolarHBondContact ND2-OD2 2.98Å; N2-D49 PolarHBondContact OD1-N 2.86Å |
| 3 | G | 88.8 | Confident | 82.1 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -33.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 T7 | M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.44Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-T7 WeakPolarHBondContact O-CB 3.38Å; G3-T7 PolarHBondContact O-N 2.69Å; G3-T7 PolarHBondContact O-OG1 3.34Å |
| 4 | I | 90.4 | Very high | 80.5 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 172.7 | -53.8 | 179.1 | 0 | 0 | 0 | 110.1 | M1 N2 H6 T7 C8 I27 Y30 L34 Y163 | M1-I4 HydrophobicContact CE-CD1 4.16Å; M1-I4 WeakPolarHBondContact O-CB 3.44Å; M1-I4 PolarHBondContact O-N 2.77Å; M1-I4 HydrophobicContact SD-CD1 3.97Å; N2-I4 VanDerWaalsContact C-N 3.26Å; N2-I4 PolarHBondContact O-N 2.94Å; I4-H6 VanDerWaalsContact C-N 3.33Å; I4-H6 PolarHBondContact O-N 3.23Å; I4-T7 PolarHBondContact O-N 2.77Å; I4-C8 VanDerWaalsContact O-CB 3.3Å; I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 2.72Å; I4-C8 PolarHBondContact O-SG 3.32Å; I4-C8 VanDerWaalsContact O-SG 3.4Å; I4-I27 HydrophobicContact CG2-CG1 4.34Å; I4-I27 HydrophobicContact CG2-CG2 4.35Å; I4-Y30 HydrophobicContact CD1-CD1 3.82Å; I4-Y30 HydrophobicContact CD1-CE1 4.48Å; I4-Y30 HydrophobicContact CD1-CG 4.5Å; I4-Y30 HydrophobicContact CG1-CD1 3.95Å; I4-Y30 HydrophobicContact CG1-CE1 4.27Å; I4-Y30 HydrophobicContact CG2-CD1 4.01Å; I4-Y30 HydrophobicContact CG2-CD2 4.3Å; I4-Y30 HydrophobicContact CG2-CG 3.74Å; I4-L34 HydrophobicContact CD1-CD1 3.88Å; I4-Y163 HydrophobicContact CD1-CD1 4.39Å; I4-Y163 HydrophobicContact CD1-CE1 3.79Å; I4-Y163 HydrophobicContact CG1-CE1 3.65Å |
| 5 | L | 91.2 | Very high | 79 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | -179.2 | -52.1 | -176.6 | 0 | 0 | 0 | 111.2 | N2 S9 I27 V48 I93 M100 L103 | N2-L5 WeakPolarHBondContact O-CA 3.44Å; N2-L5 WeakPolarHBondContact O-CB 3.38Å; N2-L5 PolarHBondContact O-N 2.95Å; L5-S9 WeakPolarHBondContact O-CB 3.37Å; L5-S9 PolarHBondContact O-N 3.45Å; L5-S9 PolarHBondContact O-OG 3.25Å; L5-I27 HydrophobicContact CD2-CD1 3.51Å; L5-I27 HydrophobicContact CD2-CG1 4.02Å; L5-I27 HydrophobicContact CD2-CG2 4.19Å; L5-V48 HydrophobicContact CD1-CG1 4.45Å; L5-I93 HydrophobicContact CB-CD1 4.21Å; L5-I93 HydrophobicContact CB-CG2 4.27Å; L5-I93 HydrophobicContact CD1-CG2 3.92Å; L5-M100 HydrophobicContact CD1-CE 3.99Å; L5-M100 HydrophobicContact CD1-SD 4.39Å; L5-L103 HydrophobicContact CD1-CD2 4.08Å; L5-L103 HydrophobicContact CD2-CD2 3.71Å |
| 6 | H | 85.8 | Confident | 78 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -54.6 | 172.4 | -73.8 | -81.9 | 0 | 0 | 0 | 111.6 | N2 I4 C8 S9 H10 | N2-H6 PolarHBondContact O-CD2 2.96Å; N2-H6 PolarHBondContact O-N 2.93Å; N2-H6 VanDerWaalsContact O-N 3.15Å; I4-H6 VanDerWaalsContact C-N 3.33Å; I4-H6 PolarHBondContact O-N 3.23Å; H6-C8 VanDerWaalsContact C-N 3.28Å; H6-C8 PolarHBondContact O-N 2.88Å; H6-S9 PolarHBondContact O-N 3.21Å; H6-S9 PolarHBondContact O-OG 3.28Å; H6-H10 AromaticContact CE1-CE1 3.94Å; H6-H10 AromaticContact CE1-NE2 3.82Å; H6-H10 AromaticContact CG-CE1 3.99Å; H6-H10 AromaticContact CG-NE2 3.91Å; H6-H10 AromaticContact ND1-CE1 3.15Å; H6-H10 PolarHBondContact ND1-CE1 3.31Å; H6-H10 AromaticContact ND1-NE2 2.93Å; H6-H10 PolarHBondContact ND1-NE2 3.02Å; H6-H10 CarbonylContact O-C 3.55Å; H6-H10 PolarHBondContact O-N 3.44Å |
| 7 | T | 83.7 | Confident | 77.4 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.092 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.1 | -40.5 | 177.9 | -84.1 | 0 | 0 | 0 | 0 | 113.8 | G3 I4 Y30 C194 K199 | G3-T7 WeakPolarHBondContact O-CB 3.38Å; G3-T7 PolarHBondContact O-N 2.69Å; G3-T7 PolarHBondContact O-OG1 3.34Å; I4-T7 PolarHBondContact O-N 2.77Å; T7-Y30 HydrophobicContact CG2-CE2 3.89Å; T7-C194 PolarHBondContact O-SG 3.47Å; T7-K199 PolarHBondContact OG1-NZ 2.88Å |
| 8 | C | 85.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -88.2 | -11.6 | -175.4 | -66.9 | 0 | 0 | 0 | 0 | 114.5 | I4 H6 N26 I27 | I4-C8 VanDerWaalsContact O-CB 3.3Å; I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 2.72Å; I4-C8 PolarHBondContact O-SG 3.32Å; I4-C8 VanDerWaalsContact O-SG 3.4Å; H6-C8 VanDerWaalsContact C-N 3.28Å; H6-C8 PolarHBondContact O-N 2.88Å; C8-N26 HydrophobicContact CB-CB 3.85Å; C8-I27 HydrophobicContact CB-CG1 3.68Å |
| 9 | S | 84.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -109.6 | -36.4 | 179.5 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | L5 H6 | L5-S9 WeakPolarHBondContact O-CB 3.37Å; L5-S9 PolarHBondContact O-N 3.45Å; L5-S9 PolarHBondContact O-OG 3.25Å; H6-S9 PolarHBondContact O-N 3.21Å; H6-S9 PolarHBondContact O-OG 3.28Å |
| 10 | H | 78.2 | Confident | 77.9 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -149.7 | 70.2 | -179.5 | 52.3 | -80.2 | 0 | 0 | 0 | 111.9 | H6 F88 | H6-H10 AromaticContact CE1-CE1 3.94Å; H6-H10 AromaticContact CE1-NE2 3.82Å; H6-H10 AromaticContact CG-CE1 3.99Å; H6-H10 AromaticContact CG-NE2 3.91Å; H6-H10 AromaticContact ND1-CE1 3.15Å; H6-H10 PolarHBondContact ND1-CE1 3.31Å; H6-H10 AromaticContact ND1-NE2 2.93Å; H6-H10 PolarHBondContact ND1-NE2 3.02Å; H6-H10 CarbonylContact O-C 3.55Å; H6-H10 PolarHBondContact O-N 3.44Å; H10-F88 HydrophobicContact CB-CB 4.49Å; H10-F88 HydrophobicContact CB-CD1 4.45Å; H10-F88 AromaticContact CE1-CD1 3.92Å; H10-F88 AromaticContact CE1-CE1 3.86Å; H10-F88 AromaticContact ND1-CD1 3.3Å; H10-F88 VanDerWaalsContact ND1-CD1 3.3Å; H10-F88 WeakPolarHBondContact ND1-CD1 3.2Å; H10-F88 AromaticContact ND1-CE1 3.52Å |
| 11 | P | 71.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.078 | 31% | 0.308 | C | S | . | . | trans | -63.5 | 142.8 | 177.9 | 29.4 | -37.5 | 0 | 0 | 0 | 112.1 | G13 S14 F18 | P11-G13 PolarHBondContact O-N 3.38Å; P11-S14 WeakPolarHBondContact O-CB 3.33Å; P11-S14 PolarHBondContact O-N 3.09Å; P11-S14 VanDerWaalsContact O-N 3.14Å; P11-F18 HydrophobicContact CG-CE2 4.15Å | ||
| 12 | E | 63.6 | Low | 77.8 | Confident | 151 Ų | 151 | 59.6 Ų | 59.6 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 131 | -173.8 | -69.6 | -166.5 | 175.5 | 0 | 0 | 113.5 | S14 | E12-S14 PolarHBondContact O-N 3.31Š|
| 13 | G | 60 | Low | 77.7 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -1.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P11 | P11-G13 PolarHBondContact O-N 3.38Š|
| 14 | S | 59.8 | Low | 77.8 | Confident | 37 Ų | 37 | 58 Ų | 58 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | trans | -71.6 | 142.1 | 168.9 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | P11 E12 I16 | P11-S14 WeakPolarHBondContact O-CB 3.33Å; P11-S14 PolarHBondContact O-N 3.09Å; P11-S14 VanDerWaalsContact O-N 3.14Å; E12-S14 PolarHBondContact O-N 3.31Å; S14-I16 PolarHBondContact OG-N 3.15Å | ||
| 15 | K | 57.9 | Low | 77.6 | Confident | 208 Ų | 208 | 63.1 Ų | 63.1 | 90% | 0.904 | 32% | 0.322 | S | S | * | . | trans | -106.8 | 5.6 | 165.8 | -63 | -172.9 | 177.3 | -173.2 | 0 | 112.4 | ||||
| 16 | I | 63.6 | Low | 77.3 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -87.1 | 125.7 | -177.2 | -56.6 | 176.4 | 0 | 0 | 0 | 108.6 | S14 F18 | S14-I16 PolarHBondContact OG-N 3.15Å; I16-F18 HydrophobicContact CB-CZ 4.35Å; I16-F18 HydrophobicContact CG2-CD1 4.27Å; I16-F18 HydrophobicContact CG2-CE1 3.85Å; I16-F18 HydrophobicContact CG2-CZ 4.14Å |
| 17 | I | 66.6 | Low | 77.6 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 123.2 | 175.7 | -51.9 | 160.6 | 0 | 0 | 0 | 107.5 | Y86 | I17-Y86 WeakPolarHBondContact CD1-O 3.45Å; I17-Y86 VanDerWaalsContact CG1-O 3.27Å; I17-Y86 WeakPolarHBondContact CG1-O 3.31Å |
| 18 | F | 74 | Confident | 77.9 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 144.2 | 176.3 | -58.4 | -68.9 | 0 | 0 | 0 | 110.8 | P11 I16 I22 I23 | P11-F18 HydrophobicContact CG-CE2 4.15Å; I16-F18 HydrophobicContact CB-CZ 4.35Å; I16-F18 HydrophobicContact CG2-CD1 4.27Å; I16-F18 HydrophobicContact CG2-CE1 3.85Å; I16-F18 HydrophobicContact CG2-CZ 4.14Å; F18-I22 HydrophobicContact CB-CB 4.37Å; F18-I22 HydrophobicContact CB-CG2 4.15Å; F18-I22 HydrophobicContact CD1-CG2 3.83Å; F18-I22 HydrophobicContact CG-CG2 4.29Å; F18-I23 HydrophobicContact CB-CD1 4.22Å; F18-I23 HydrophobicContact CB-CG1 3.67Å |
| 19 | S | 81.1 | Confident | 77.8 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 155.3 | 169.5 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | E21 I22 I23 | S19-E21 PolarHBondContact O-N 3.38Å; S19-I22 WeakPolarHBondContact O-CA 3.36Å; S19-I22 PolarHBondContact O-N 3.37Å; S19-I22 WeakPolarHBondContact OG-CD1 3.25Å; S19-I22 WeakPolarHBondContact OG-CG1 3.34Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 2.9Å |
| 20 | E | 86.8 | Confident | 78 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.9 | -38.7 | 179.6 | -169.5 | 176.1 | 115.7 | 0 | 0 | 112.3 | I22 I23 F24 F99 R102 | E20-I22 PolarHBondContact O-N 3.08Å; E20-I23 PolarHBondContact O-N 3.41Å; E20-F24 HydrophobicContact CG-CD1 4.21Å; E20-F24 HydrophobicContact CG-CD2 4.21Å; E20-F24 HydrophobicContact CG-CE1 3.65Å; E20-F24 HydrophobicContact CG-CE2 3.65Å; E20-F24 HydrophobicContact CG-CG 4.47Å; E20-F24 HydrophobicContact CG-CZ 3.34Å; E20-F24 WeakPolarHBondContact O-CB 3.48Å; E20-F24 VanDerWaalsContact O-CG 3.31Å; E20-F24 WeakPolarHBondContact O-CG 3.44Å; E20-F24 PolarHBondContact O-N 3.38Å; E20-F24 WeakPolarHBondContact OE1-CE2 3.23Å; E20-F24 VanDerWaalsContact OE1-CZ 3.32Å; E20-F24 WeakPolarHBondContact OE1-CZ 3.44Å; E20-F99 HydrophobicContact CG-CD2 4.1Å; E20-F99 HydrophobicContact CG-CE2 4.04Å; E20-R102 VanDerWaalsContact OE1-CD 3.32Å; E20-R102 WeakPolarHBondContact OE1-CD 3.48Å; E20-R102 IonicContact OE1-CZ 3.5Å; E20-R102 IonicContact OE1-NE 3.46Å; E20-R102 PolarHBondContact OE1-NE 3Å; E20-R102 IonicContact OE1-NH2 3.64Å; E20-R102 IonicContact OE2-CZ 2.81Å; E20-R102 IonicContact OE2-NE 3.62Å; E20-R102 PolarHBondContact OE2-NE 3.25Å; E20-R102 IonicContact OE2-NH2 2.73Å; E20-R102 PolarHBondContact OE2-NH2 2.99Å |
| 21 | E | 85.4 | Confident | 78.6 | Confident | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -40.4 | 174.3 | -60.8 | -179.6 | 161.6 | 0 | 0 | 113.2 | S19 R25 | S19-E21 PolarHBondContact O-N 3.38Å; E21-R25 VanDerWaalsContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CB 3.37Å; E21-R25 PolarHBondContact O-N 3.4Å |
| 22 | I | 84.8 | Confident | 79.3 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 176.9 | -66.5 | 169.1 | 0 | 0 | 0 | 110.1 | F18 S19 E20 R25 N26 | F18-I22 HydrophobicContact CB-CB 4.37Å; F18-I22 HydrophobicContact CB-CG2 4.15Å; F18-I22 HydrophobicContact CD1-CG2 3.83Å; F18-I22 HydrophobicContact CG-CG2 4.29Å; S19-I22 WeakPolarHBondContact O-CA 3.36Å; S19-I22 PolarHBondContact O-N 3.37Å; S19-I22 WeakPolarHBondContact OG-CD1 3.25Å; S19-I22 WeakPolarHBondContact OG-CG1 3.34Å; E20-I22 PolarHBondContact O-N 3.08Å; I22-R25 PolarHBondContact O-N 2.89Å; I22-N26 WeakPolarHBondContact O-CB 3.44Å; I22-N26 PolarHBondContact O-N 3.3Å; I22-N26 PolarHBondContact O-ND2 2.93Å; I22-N26 PolarHBondContact O-OD1 3.43Å |
| 23 | I | 88.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 177.2 | -63.2 | 171.8 | 0 | 0 | 0 | 110.2 | F18 S19 E20 N26 I27 F88 F99 | F18-I23 HydrophobicContact CB-CD1 4.22Å; F18-I23 HydrophobicContact CB-CG1 3.67Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; S19-I23 PolarHBondContact O-N 2.9Å; E20-I23 PolarHBondContact O-N 3.41Å; I23-N26 PolarHBondContact O-N 3.23Å; I23-I27 HydrophobicContact CG2-CD1 3.85Å; I23-I27 WeakPolarHBondContact O-CD1 3.42Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.25Å; I23-I27 PolarHBondContact O-N 3.02Å; I23-F88 HydrophobicContact CD1-CD2 3.97Å; I23-F88 HydrophobicContact CD1-CE2 3.78Å; I23-F99 HydrophobicContact CG2-CZ 4.28Å |
| 24 | F | 91.4 | Very high | 81.5 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 179.1 | -67.8 | -2.9 | 0 | 0 | 0 | 111.9 | E20 N26 I27 C28 F99 R102 L103 H106 | E20-F24 HydrophobicContact CG-CD1 4.21Å; E20-F24 HydrophobicContact CG-CD2 4.21Å; E20-F24 HydrophobicContact CG-CE1 3.65Å; E20-F24 HydrophobicContact CG-CE2 3.65Å; E20-F24 HydrophobicContact CG-CG 4.47Å; E20-F24 HydrophobicContact CG-CZ 3.34Å; E20-F24 WeakPolarHBondContact O-CB 3.48Å; E20-F24 VanDerWaalsContact O-CG 3.31Å; E20-F24 WeakPolarHBondContact O-CG 3.44Å; E20-F24 PolarHBondContact O-N 3.38Å; E20-F24 WeakPolarHBondContact OE1-CE2 3.23Å; E20-F24 VanDerWaalsContact OE1-CZ 3.32Å; E20-F24 WeakPolarHBondContact OE1-CZ 3.44Å; F24-N26 PolarHBondContact O-N 2.98Å; F24-I27 HydrophobicContact CD1-CD1 4.48Å; F24-I27 PolarHBondContact O-N 3.26Å; F24-C28 PolarHBondContact O-N 3.07Å; F24-F99 HydrophobicContact CE1-CD2 4.21Å; F24-F99 AromaticContact CE1-CE2 3.68Å; F24-F99 HydrophobicContact CE1-CE2 3.68Å; F24-F99 AromaticContact CE1-CZ 3.91Å; F24-F99 HydrophobicContact CE1-CZ 3.91Å; F24-F99 HydrophobicContact CZ-CD2 4.41Å; F24-F99 HydrophobicContact CZ-CE2 4.31Å; F24-R102 HydrophobicContact CE2-CB 4.01Å; F24-R102 HydrophobicContact CZ-CB 4Å; F24-L103 HydrophobicContact CD1-CB 4.38Å; F24-L103 HydrophobicContact CD1-CD1 3.68Å; F24-L103 HydrophobicContact CE1-CB 3.67Å; F24-L103 HydrophobicContact CE1-CD1 3.84Å; F24-L103 HydrophobicContact CE1-CG 4.27Å; F24-L103 HydrophobicContact CG-CD1 4.32Å; F24-L103 HydrophobicContact CZ-CB 3.8Å; F24-H106 HydrophobicContact CD2-CB 4Å; F24-H106 AromaticContact CD2-CG 3.96Å; F24-H106 HydrophobicContact CE2-CB 4.46Å |
| 25 | R | 87 | Confident | 82.9 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 42% | 0.415 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 173.5 | 176.2 | 177.2 | 170.6 | 170.5 | -1.9 | 111.8 | E21 I22 I27 C28 L29 | E21-R25 VanDerWaalsContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CB 3.37Å; E21-R25 PolarHBondContact O-N 3.4Å; I22-R25 PolarHBondContact O-N 2.89Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 3.15Å; R25-C28 PolarHBondContact O-N 2.68Å; R25-L29 HydrophobicContact CG-CD1 3.81Å; R25-L29 HydrophobicContact CG-CG 4.44Å; R25-L29 VanDerWaalsContact O-CG 3.29Å; R25-L29 WeakPolarHBondContact O-CG 3.35Å; R25-L29 PolarHBondContact O-N 3.48Å |
| 26 | N | 84.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 17% | 0.166 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 178.4 | -70.7 | -9.9 | 0 | 0 | 0 | 111.3 | C8 I22 I23 F24 L29 Y30 | C8-N26 HydrophobicContact CB-CB 3.85Å; I22-N26 WeakPolarHBondContact O-CB 3.44Å; I22-N26 PolarHBondContact O-N 3.3Å; I22-N26 PolarHBondContact O-ND2 2.93Å; I22-N26 PolarHBondContact O-OD1 3.43Å; I23-N26 PolarHBondContact O-N 3.23Å; F24-N26 PolarHBondContact O-N 2.98Å; N26-L29 PolarHBondContact O-N 3.46Å; N26-Y30 WeakPolarHBondContact O-CB 3.44Å; N26-Y30 PolarHBondContact O-N 3.06Å |
| 27 | I | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.3 | -66.7 | 158.3 | 0 | 0 | 0 | 110.9 | M1 I4 L5 C8 I23 F24 R25 L29 Y30 I31 L103 L107 | M1-I27 HydrophobicContact CE-CG2 3.77Å; I4-I27 HydrophobicContact CG2-CG1 4.34Å; I4-I27 HydrophobicContact CG2-CG2 4.35Å; L5-I27 HydrophobicContact CD2-CD1 3.51Å; L5-I27 HydrophobicContact CD2-CG1 4.02Å; L5-I27 HydrophobicContact CD2-CG2 4.19Å; C8-I27 HydrophobicContact CB-CG1 3.68Å; I23-I27 HydrophobicContact CG2-CD1 3.85Å; I23-I27 WeakPolarHBondContact O-CD1 3.42Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.25Å; I23-I27 PolarHBondContact O-N 3.02Å; F24-I27 HydrophobicContact CD1-CD1 4.48Å; F24-I27 PolarHBondContact O-N 3.26Å; R25-I27 VanDerWaalsContact C-N 3.34Å; R25-I27 PolarHBondContact O-N 3.15Å; I27-L29 PolarHBondContact O-N 3.26Å; I27-Y30 WeakPolarHBondContact O-CB 3.41Å; I27-Y30 PolarHBondContact O-N 2.99Å; I27-I31 HydrophobicContact CG2-CD1 4.06Å; I27-I31 WeakPolarHBondContact O-CG1 3.2Å; I27-I31 PolarHBondContact O-N 3.23Å; I27-L103 HydrophobicContact CD1-CD1 3.9Å; I27-L107 HydrophobicContact CG2-CD2 4.3Å |
| 28 | C | 90.1 | Very high | 85.3 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.4 | -77.3 | 0 | 0 | 0 | 0 | 113 | F24 R25 Y30 I31 Q32 F110 | F24-C28 PolarHBondContact O-N 3.07Å; R25-C28 PolarHBondContact O-N 2.68Å; C28-Y30 VanDerWaalsContact C-N 3.33Å; C28-I31 PolarHBondContact O-N 3Å; C28-Q32 WeakPolarHBondContact O-CB 3.47Å; C28-Q32 PolarHBondContact O-N 3.49Å; C28-F110 HydrophobicContact CB-CD2 3.55Å; C28-F110 HydrophobicContact CB-CE2 3.52Å; C28-F110 HydrophobicContact CB-CG 4.31Å; C28-F110 HydrophobicContact CB-CZ 4.28Å; C28-F110 WeakPolarHBondContact O-CZ 3.25Å; C28-F110 WeakPolarHBondContact SG-CD2 3.37Å; C28-F110 VanDerWaalsContact SG-CG 3.58Å |
| 29 | L | 84.1 | Confident | 85.5 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -37 | 174.7 | -66 | 165.3 | 0 | 0 | 0 | 111.5 | R25 N26 I27 Q32 F33 T1354 D1355 | R25-L29 HydrophobicContact CG-CD1 3.81Å; R25-L29 HydrophobicContact CG-CG 4.44Å; R25-L29 VanDerWaalsContact O-CG 3.29Å; R25-L29 WeakPolarHBondContact O-CG 3.35Å; R25-L29 PolarHBondContact O-N 3.48Å; N26-L29 PolarHBondContact O-N 3.46Å; I27-L29 PolarHBondContact O-N 3.26Å; L29-Q32 PolarHBondContact O-N 2.86Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 3.24Å; L29-T1354 HydrophobicContact CD2-CG2 4.32Å; L29-D1355 WeakPolarHBondContact CD1-OD1 3.25Å |
| 30 | Y | 87.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.8 | -140.5 | -77.8 | 0 | 0 | 0 | 112.4 | I4 T7 N26 I27 C28 Q32 F33 L34 Y163 E186 A196 K199 F201 | I4-Y30 HydrophobicContact CD1-CD1 3.82Å; I4-Y30 HydrophobicContact CD1-CE1 4.48Å; I4-Y30 HydrophobicContact CD1-CG 4.5Å; I4-Y30 HydrophobicContact CG1-CD1 3.95Å; I4-Y30 HydrophobicContact CG1-CE1 4.27Å; I4-Y30 HydrophobicContact CG2-CD1 4.01Å; I4-Y30 HydrophobicContact CG2-CD2 4.3Å; I4-Y30 HydrophobicContact CG2-CG 3.74Å; T7-Y30 HydrophobicContact CG2-CE2 3.89Å; N26-Y30 WeakPolarHBondContact O-CB 3.44Å; N26-Y30 PolarHBondContact O-N 3.06Å; I27-Y30 WeakPolarHBondContact O-CB 3.41Å; I27-Y30 PolarHBondContact O-N 2.99Å; C28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-Q32 VanDerWaalsContact C-N 3.34Å; Y30-F33 PolarHBondContact O-N 2.93Å; Y30-L34 HydrophobicContact CD1-CD1 3.86Å; Y30-L34 HydrophobicContact CD1-CG 4.12Å; Y30-L34 HydrophobicContact CE1-CD1 4.15Å; Y30-L34 HydrophobicContact CE1-CG 4.37Å; Y30-L34 WeakPolarHBondContact O-CG 3.42Å; Y30-L34 PolarHBondContact O-N 3.43Å; Y30-Y163 WeakPolarHBondContact CE1-OH 3.43Å; Y30-E186 VanDerWaalsContact OH-CD 3.23Å; Y30-E186 PolarHBondContact OH-OE1 2.98Å; Y30-A196 HydrophobicContact CD1-CB 4.28Å; Y30-A196 HydrophobicContact CD2-CB 3.8Å; Y30-A196 HydrophobicContact CE1-CB 4.13Å; Y30-A196 HydrophobicContact CE2-CB 3.59Å; Y30-A196 HydrophobicContact CG-CB 4.12Å; Y30-K199 WeakPolarHBondContact OH-CD 3.49Å; Y30-F201 HydrophobicContact CE1-CZ 4.47Å |
| 31 | I | 91.7 | Very high | 85.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.8 | -63.4 | 162.3 | 0 | 0 | 0 | 110 | M1 I27 C28 L34 F35 F44 L46 L107 F110 W121 | M1-I31 HydrophobicContact CE-CD1 3.72Å; M1-I31 HydrophobicContact CE-CG1 3.87Å; M1-I31 HydrophobicContact SD-CD1 4.44Å; M1-I31 HydrophobicContact SD-CG1 4.25Å; I27-I31 HydrophobicContact CG2-CD1 4.06Å; I27-I31 WeakPolarHBondContact O-CG1 3.2Å; I27-I31 PolarHBondContact O-N 3.23Å; C28-I31 PolarHBondContact O-N 3Å; I31-L34 PolarHBondContact O-N 3.13Å; I31-F35 WeakPolarHBondContact O-CB 3.45Å; I31-F35 PolarHBondContact O-N 3.42Å; I31-F44 HydrophobicContact CG2-CE1 4.03Å; I31-F44 HydrophobicContact CG2-CZ 4.01Å; I31-L46 HydrophobicContact CG2-CD1 4.44Å; I31-L46 HydrophobicContact CG2-CD2 4.14Å; I31-L107 HydrophobicContact CD1-CD2 3.6Å; I31-F110 HydrophobicContact CB-CE1 4.13Å; I31-F110 HydrophobicContact CB-CZ 4.16Å; I31-F110 HydrophobicContact CD1-CE1 4.23Å; I31-F110 HydrophobicContact CG2-CE1 3.78Å; I31-F110 HydrophobicContact CG2-CZ 4.13Å; I31-W121 HydrophobicContact CG2-CH2 4.28Å |
| 32 | Q | 85.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.8 | -169.5 | 171.6 | 17.8 | 0 | 0 | 112.3 | C28 L29 Y30 F35 N36 F110 | C28-Q32 WeakPolarHBondContact O-CB 3.47Å; C28-Q32 PolarHBondContact O-N 3.49Å; L29-Q32 PolarHBondContact O-N 2.86Å; Y30-Q32 VanDerWaalsContact C-N 3.34Å; Q32-F35 PolarHBondContact O-N 3.31Å; Q32-N36 VanDerWaalsContact O-CB 3.32Å; Q32-N36 WeakPolarHBondContact O-CB 3.46Å; Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.09Å; Q32-N36 PolarHBondContact O-ND2 3.39Å; Q32-F110 HydrophobicContact CB-CZ 4.47Å |
| 33 | F | 83.1 | Confident | 86.2 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 172.5 | 175.3 | -89.5 | 0 | 0 | 0 | 111.6 | L29 Y30 F35 N36 L37 A196 D197 F201 | L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 3.24Å; Y30-F33 PolarHBondContact O-N 2.93Å; F33-F35 VanDerWaalsContact C-N 3.3Å; F33-F35 PolarHBondContact O-N 2.96Å; F33-N36 PolarHBondContact O-N 2.94Å; F33-L37 HydrophobicContact CE1-CD2 3.88Å; F33-L37 HydrophobicContact CZ-CD2 4.34Å; F33-L37 WeakPolarHBondContact O-CB 3.18Å; F33-L37 PolarHBondContact O-N 2.79Å; F33-A196 HydrophobicContact CB-CB 3.99Å; F33-A196 HydrophobicContact CD1-CB 3.4Å; F33-A196 HydrophobicContact CD2-CB 4.19Å; F33-A196 HydrophobicContact CE1-CB 3.87Å; F33-A196 HydrophobicContact CG-CB 3.58Å; F33-A196 HydrophobicContact CZ-CB 4.44Å; F33-D197 HydrophobicContact CE2-CB 4.32Å; F33-F201 HydrophobicContact CD1-CE2 4.5Å; F33-F201 HydrophobicContact CD1-CZ 4.42Å; F33-F201 HydrophobicContact CE1-CD2 4.3Å; F33-F201 AromaticContact CE1-CE2 3.5Å; F33-F201 HydrophobicContact CE1-CE2 3.5Å; F33-F201 VanDerWaalsContact CE1-CE2 3.5Å; F33-F201 AromaticContact CE1-CZ 3.79Å; F33-F201 HydrophobicContact CE1-CZ 3.79Å; F33-F201 HydrophobicContact CZ-CE2 4.01Å |
| 34 | L | 88.2 | Confident | 86.6 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 179.2 | -70 | 175.2 | 0 | 0 | 0 | 112 | I4 Y30 I31 L37 I38 Y163 L184 F201 | I4-L34 HydrophobicContact CD1-CD1 3.88Å; Y30-L34 HydrophobicContact CD1-CD1 3.86Å; Y30-L34 HydrophobicContact CD1-CG 4.12Å; Y30-L34 HydrophobicContact CE1-CD1 4.15Å; Y30-L34 HydrophobicContact CE1-CG 4.37Å; Y30-L34 WeakPolarHBondContact O-CG 3.42Å; Y30-L34 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 3.13Å; L34-L37 PolarHBondContact O-N 3.37Å; L34-I38 WeakPolarHBondContact O-CB 3.4Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.41Å; L34-I38 PolarHBondContact O-N 3.36Å; L34-Y163 HydrophobicContact CD1-CD1 3.79Å; L34-Y163 HydrophobicContact CD1-CD2 4.1Å; L34-Y163 HydrophobicContact CD1-CE1 3.85Å; L34-Y163 HydrophobicContact CD1-CE2 4.14Å; L34-Y163 HydrophobicContact CD1-CG 3.91Å; L34-Y163 HydrophobicContact CD2-CD2 4Å; L34-Y163 HydrophobicContact CD2-CE2 4.08Å; L34-L184 HydrophobicContact CD2-CD2 3.86Å; L34-F201 HydrophobicContact CD2-CE1 4.05Å; L34-F201 HydrophobicContact CD2-CZ 4.37Å |
| 35 | F | 87.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 173.4 | -172.2 | -89 | 0 | 0 | 0 | 111.9 | I31 Q32 F33 L37 I38 K39 P40 F44 D120 W121 I124 | I31-F35 WeakPolarHBondContact O-CB 3.45Å; I31-F35 PolarHBondContact O-N 3.42Å; Q32-F35 PolarHBondContact O-N 3.31Å; F33-F35 VanDerWaalsContact C-N 3.3Å; F33-F35 PolarHBondContact O-N 2.96Å; F35-L37 VanDerWaalsContact C-N 3.29Å; F35-L37 PolarHBondContact O-N 3.04Å; F35-I38 PolarHBondContact O-N 2.83Å; F35-K39 WeakPolarHBondContact O-CA 3.15Å; F35-K39 PolarHBondContact O-N 2.84Å; F35-P40 HydrophobicContact CD2-CG 3.91Å; F35-P40 HydrophobicContact CE2-CG 3.56Å; F35-P40 HydrophobicContact CZ-CG 4.23Å; F35-F44 HydrophobicContact CB-CZ 4.36Å; F35-F44 AromaticContact CD2-CD1 3.85Å; F35-F44 HydrophobicContact CD2-CD1 3.85Å; F35-F44 HydrophobicContact CD2-CD2 4.2Å; F35-F44 AromaticContact CD2-CE1 3.82Å; F35-F44 HydrophobicContact CD2-CE1 3.82Å; F35-F44 HydrophobicContact CD2-CE2 4.18Å; F35-F44 HydrophobicContact CD2-CG 4.05Å; F35-F44 AromaticContact CD2-CZ 3.99Å; F35-F44 HydrophobicContact CD2-CZ 3.99Å; F35-F44 HydrophobicContact CE2-CB 4.48Å; F35-F44 HydrophobicContact CE2-CD1 4.16Å; F35-F44 HydrophobicContact CE2-CG 4.22Å; F35-D120 HydrophobicContact CE1-CB 4.07Å; F35-D120 HydrophobicContact CZ-CB 4.48Å; F35-W121 HydrophobicContact CB-CZ2 4.25Å; F35-W121 HydrophobicContact CD1-CZ2 4.4Å; F35-W121 AromaticContact CD1-NE1 3.38Å; F35-W121 AromaticContact CD2-CE2 3.85Å; F35-W121 AromaticContact CD2-CZ2 3.86Å; F35-W121 HydrophobicContact CD2-CZ2 3.86Å; F35-W121 AromaticContact CE1-CD1 3.47Å; F35-W121 VanDerWaalsContact CE1-CD1 3.47Å; F35-W121 HydrophobicContact CE1-CG 4.31Å; F35-W121 AromaticContact CE1-NE1 3.27Å; F35-W121 VanDerWaalsContact CE1-NE1 3.27Å; F35-W121 HydrophobicContact CE2-CD2 4.15Å; F35-W121 AromaticContact CE2-CE2 3.89Å; F35-W121 HydrophobicContact CE2-CG 4.36Å; F35-W121 HydrophobicContact CE2-CZ2 4.32Å; F35-W121 AromaticContact CE2-NE1 3.93Å; F35-W121 AromaticContact CG-CE2 3.91Å; F35-W121 AromaticContact CG-CZ2 3.9Å; F35-W121 HydrophobicContact CG-CZ2 3.9Å; F35-W121 AromaticContact CG-NE1 3.76Å; F35-W121 AromaticContact CZ-CD1 3.56Å; F35-W121 HydrophobicContact CZ-CD2 4.21Å; F35-W121 AromaticContact CZ-CE2 4Å; F35-W121 AromaticContact CZ-CG 3.96Å; F35-W121 HydrophobicContact CZ-CG 3.96Å; F35-W121 AromaticContact CZ-NE1 3.57Å; F35-I124 HydrophobicContact CE2-CD1 3.52Å; F35-I124 HydrophobicContact CZ-CD1 3.78Å |
| 36 | N | 77 | Confident | 87.3 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -27.2 | 179.2 | -75.9 | -23.1 | 0 | 0 | 0 | 113.5 | Q32 F33 K39 | Q32-N36 VanDerWaalsContact O-CB 3.32Å; Q32-N36 WeakPolarHBondContact O-CB 3.46Å; Q32-N36 VanDerWaalsContact O-CG 3.25Å; Q32-N36 PolarHBondContact O-N 3.09Å; Q32-N36 PolarHBondContact O-ND2 3.39Å; F33-N36 PolarHBondContact O-N 2.94Å; N36-K39 WeakPolarHBondContact O-CE 3.48Å; N36-K39 WeakPolarHBondContact O-CG 3.47Å |
| 37 | L | 78.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 35 Ų | 35 | 48% | 0.476 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -77.1 | -47.2 | 175.9 | -178.7 | 64.1 | 0 | 0 | 0 | 111.9 | F33 L34 F35 L184 | F33-L37 HydrophobicContact CE1-CD2 3.88Å; F33-L37 HydrophobicContact CZ-CD2 4.34Å; F33-L37 WeakPolarHBondContact O-CB 3.18Å; F33-L37 PolarHBondContact O-N 2.79Å; L34-L37 PolarHBondContact O-N 3.37Å; F35-L37 VanDerWaalsContact C-N 3.29Å; F35-L37 PolarHBondContact O-N 3.04Å; L37-L184 HydrophobicContact CD2-CD2 4.19Å |
| 38 | I | 84 | Confident | 88.2 | Confident | 60 Ų | 60 | 35.1 Ų | 35.1 | 31% | 0.308 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -84.5 | -36 | -173.1 | -61.8 | 166.8 | 0 | 0 | 0 | 112.2 | L34 F35 C161 L184 | L34-I38 WeakPolarHBondContact O-CB 3.4Å; L34-I38 VanDerWaalsContact O-CG1 3.31Å; L34-I38 WeakPolarHBondContact O-CG1 3.41Å; L34-I38 PolarHBondContact O-N 3.36Å; F35-I38 PolarHBondContact O-N 2.83Å; I38-C161 HydrophobicContact CG2-CB 4.11Å; I38-L184 HydrophobicContact CD1-CD2 3.87Å; I38-L184 HydrophobicContact CG1-CD2 4.11Å |
| 39 | K | 78 | Confident | 88.5 | Confident | 58 Ų | 58 | 36.6 Ų | 36.6 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | trans | 50.4 | 62.2 | -176.8 | -64.5 | 177.9 | 173.8 | -68.3 | 0 | 113.1 | F35 N36 N1275 | F35-K39 WeakPolarHBondContact O-CA 3.15Å; F35-K39 PolarHBondContact O-N 2.84Å; N36-K39 WeakPolarHBondContact O-CE 3.48Å; N36-K39 WeakPolarHBondContact O-CG 3.47Å; K39-N1275 WeakPolarHBondContact CE-OD1 3.48Å | ||
| 40 | P | 88.2 | Confident | 89 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | trans | -57.5 | 138.8 | 178.9 | 26.3 | -35 | 0 | 0 | 0 | 111.2 | F35 F44 I124 | F35-P40 HydrophobicContact CD2-CG 3.91Å; F35-P40 HydrophobicContact CE2-CG 3.56Å; F35-P40 HydrophobicContact CZ-CG 4.23Å; P40-F44 HydrophobicContact CG-CB 4.17Å; P40-F44 HydrophobicContact CG-CD2 4.07Å; P40-F44 HydrophobicContact CG-CG 4.34Å; P40-I124 HydrophobicContact CG-CD1 4.23Å | ||
| 41 | R | 83.7 | Confident | 89.5 | Confident | 157 Ų | 157 | 35.3 Ų | 35.3 | 59% | 0.592 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -106.6 | 2.1 | -174.2 | -60.5 | -166.9 | -172.7 | -157.2 | 8.6 | 115.3 | S978 G980 | R41-S978 PolarHBondContact NH2-OG 3.08Å; R41-G980 PolarHBondContact NH1-O 3.24Å |
| 42 | K | 88.6 | Confident | 89.7 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -147.2 | -56.9 | -174.3 | -174.9 | -169.2 | 173.3 | -170 | 0 | 111.7 | D125 E158 | K42-D125 WeakPolarHBondContact O-CB 3.39Å; K42-D125 PolarHBondContact O-N 3.45Å; K42-E158 VanDerWaalsContact CD-OE1 3.32Å; K42-E158 WeakPolarHBondContact CD-OE1 3.42Å; K42-E158 IonicContact NZ-OE1 2.84Å; K42-E158 PolarHBondContact NZ-OE1 3.04Å; K42-E158 IonicContact NZ-OE2 2.76Å; K42-E158 PolarHBondContact NZ-OE2 2.77Å |
| 43 | T | 93.3 | Very high | 90.2 | Very high | 34 Ų | 34 | 33 Ų | 33 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.7 | -174.6 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | D125 I127 Y144 | T43-D125 CarbonylContact C-O 3.57Å; T43-D125 VanDerWaalsContact CA-O 3.22Å; T43-D125 WeakPolarHBondContact CA-O 3.37Å; T43-D125 HydrophobicContact CG2-CB 4.48Å; T43-I127 HydrophobicContact CG2-CD1 4.24Å; T43-Y144 HydrophobicContact CG2-CE1 4.16Å |
| 44 | F | 96 | Very high | 90.7 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 111.6 | 170.7 | -174 | -127.1 | 0 | 0 | 0 | 109.8 | I31 F35 P40 L46 W121 I124 D125 V126 I127 | I31-F44 HydrophobicContact CG2-CE1 4.03Å; I31-F44 HydrophobicContact CG2-CZ 4.01Å; F35-F44 HydrophobicContact CB-CZ 4.36Å; F35-F44 AromaticContact CD2-CD1 3.85Å; F35-F44 HydrophobicContact CD2-CD1 3.85Å; F35-F44 HydrophobicContact CD2-CD2 4.2Å; F35-F44 AromaticContact CD2-CE1 3.82Å; F35-F44 HydrophobicContact CD2-CE1 3.82Å; F35-F44 HydrophobicContact CD2-CE2 4.18Å; F35-F44 HydrophobicContact CD2-CG 4.05Å; F35-F44 AromaticContact CD2-CZ 3.99Å; F35-F44 HydrophobicContact CD2-CZ 3.99Å; F35-F44 HydrophobicContact CE2-CB 4.48Å; F35-F44 HydrophobicContact CE2-CD1 4.16Å; F35-F44 HydrophobicContact CE2-CG 4.22Å; P40-F44 HydrophobicContact CG-CB 4.17Å; P40-F44 HydrophobicContact CG-CD2 4.07Å; P40-F44 HydrophobicContact CG-CG 4.34Å; F44-L46 HydrophobicContact CD1-CD1 4.47Å; F44-L46 HydrophobicContact CD1-CG 4.28Å; F44-L46 HydrophobicContact CE1-CD1 4Å; F44-L46 HydrophobicContact CE1-CD2 3.77Å; F44-L46 HydrophobicContact CE1-CG 3.89Å; F44-L46 HydrophobicContact CE2-CD2 4.46Å; F44-L46 HydrophobicContact CZ-CD2 3.72Å; F44-L46 HydrophobicContact CZ-CG 4.33Å; F44-W121 HydrophobicContact CD1-CH2 4.09Å; F44-W121 HydrophobicContact CD1-CZ3 4.11Å; F44-W121 AromaticContact CE1-CH2 3.67Å; F44-W121 HydrophobicContact CE1-CH2 3.67Å; F44-W121 HydrophobicContact CE1-CZ2 4.24Å; F44-W121 HydrophobicContact CE1-CZ3 4.14Å; F44-I124 HydrophobicContact CB-CD1 3.92Å; F44-D125 PolarHBondContact N-O 3.42Å; F44-V126 HydrophobicContact CB-CG2 4.47Å; F44-V126 HydrophobicContact CD1-CG1 4.3Å; F44-V126 WeakPolarHBondContact O-CA 3.49Å; F44-I127 PolarHBondContact O-N 2.9Å |
| 45 | F | 96.9 | Very high | 91 | Very high | 35 Ų | 35 | 32 Ų | 32 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.8 | -173.2 | -162.3 | -74.1 | 0 | 0 | 0 | 110.8 | A47 I127 K140 I141 Y144 Y686 | F45-A47 HydrophobicContact CD1-CB 4.05Å; F45-A47 HydrophobicContact CE1-CB 3.89Å; F45-I127 HydrophobicContact CD2-CB 3.76Å; F45-I127 HydrophobicContact CD2-CD1 3.88Å; F45-I127 HydrophobicContact CD2-CG1 4.42Å; F45-I127 HydrophobicContact CD2-CG2 3.76Å; F45-I127 HydrophobicContact CE2-CB 4.09Å; F45-I127 HydrophobicContact CE2-CD1 4.17Å; F45-I127 HydrophobicContact CE2-CG2 3.55Å; F45-I127 HydrophobicContact CG-CB 4.35Å; F45-I127 HydrophobicContact CG-CG2 4.48Å; F45-I127 HydrophobicContact CZ-CG2 4.12Å; F45-K140 HydrophobicContact CE1-CB 4.47Å; F45-I141 HydrophobicContact CD1-CG1 3.71Å; F45-I141 HydrophobicContact CE1-CG1 3.94Å; F45-Y144 AromaticContact CD2-CD1 3.79Å; F45-Y144 HydrophobicContact CD2-CD1 3.79Å; F45-Y144 HydrophobicContact CD2-CD2 4.2Å; F45-Y144 HydrophobicContact CD2-CE1 4.23Å; F45-Y144 AromaticContact CD2-CG 3.77Å; F45-Y144 HydrophobicContact CD2-CG 3.77Å; F45-Y144 HydrophobicContact CE2-CD1 4.01Å; F45-Y144 AromaticContact CE2-CD2 3.78Å; F45-Y144 HydrophobicContact CE2-CD2 3.78Å; F45-Y144 AromaticContact CE2-CG 3.48Å; F45-Y144 HydrophobicContact CE2-CG 3.48Å; F45-Y144 VanDerWaalsContact CE2-CG 3.48Å; F45-Y144 HydrophobicContact CZ-CG 4.46Å; F45-Y686 HydrophobicContact CE2-CE2 4.48Å |
| 46 | L | 97.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 100.5 | 179.6 | -69.1 | 174.7 | 0 | 0 | 0 | 110.2 | M1 I31 F44 V111 I127 L128 S129 | M1-L46 HydrophobicContact SD-CD2 4.1Å; I31-L46 HydrophobicContact CG2-CD1 4.44Å; I31-L46 HydrophobicContact CG2-CD2 4.14Å; F44-L46 HydrophobicContact CD1-CD1 4.47Å; F44-L46 HydrophobicContact CD1-CG 4.28Å; F44-L46 HydrophobicContact CE1-CD1 4Å; F44-L46 HydrophobicContact CE1-CD2 3.77Å; F44-L46 HydrophobicContact CE1-CG 3.89Å; F44-L46 HydrophobicContact CE2-CD2 4.46Å; F44-L46 HydrophobicContact CZ-CD2 3.72Å; F44-L46 HydrophobicContact CZ-CG 4.33Å; L46-V111 HydrophobicContact CD1-CG2 3.96Å; L46-I127 PolarHBondContact N-O 2.99Å; L46-L128 HydrophobicContact CB-CD1 3.83Å; L46-L128 HydrophobicContact CD1-CD1 4.46Å; L46-S129 PolarHBondContact O-N 3.12Å |
| 47 | A | 96.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 F45 G137 I141 | M1-A47 WeakPolarHBondContact CA-O 3.44Å; M1-A47 WeakPolarHBondContact CB-O 3.45Å; M1-A47 WeakPolarHBondContact CG-O 3.37Å; M1-A47 PolarHBondContact N-O 3.49Å; F45-A47 HydrophobicContact CD1-CB 4.05Å; F45-A47 HydrophobicContact CE1-CB 3.89Å; A47-G137 VanDerWaalsContact CB-O 3.25Å; A47-G137 WeakPolarHBondContact CB-O 3.33Å; A47-I141 HydrophobicContact CB-CD1 3.94Å; A47-I141 HydrophobicContact CB-CG1 3.92Å |
| 48 | V | 96.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | trans | -109.3 | 141.4 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | M1 L5 G50 M100 L107 S129 H131 K140 | M1-V48 HydrophobicContact CB-CB 4.46Å; M1-V48 HydrophobicContact CB-CG2 3.8Å; M1-V48 HydrophobicContact CG-CG2 3.77Å; L5-V48 HydrophobicContact CD1-CG1 4.45Å; V48-G50 PolarHBondContact O-N 2.69Å; V48-M100 HydrophobicContact CG1-CE 3.56Å; V48-L107 HydrophobicContact CG2-CD1 4.35Å; V48-S129 PolarHBondContact N-O 2.86Å; V48-H131 HydrophobicContact CG1-CB 4.09Å; V48-K140 PolarHBondContact O-NZ 3.08Å | ||
| 49 | D | 95.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 22% | 0.219 | 13% | 0.13 | C | C | . | . | trans | -65.5 | 132.2 | -179.8 | -50.8 | -20.9 | 0 | 0 | 0 | 110.8 | N2 H131 G137 | N2-D49 VanDerWaalsContact CG-CG 3.47Å; N2-D49 WeakPolarHBondContact ND2-CB 3.44Å; N2-D49 PolarHBondContact ND2-OD2 2.98Å; N2-D49 PolarHBondContact OD1-N 2.86Å; D49-H131 VanDerWaalsContact O-CA 3.3Å; D49-H131 WeakPolarHBondContact O-CA 3.31Å; D49-H131 WeakPolarHBondContact O-CB 3.37Å; D49-G137 WeakPolarHBondContact OD1-CA 3.22Å; D49-G137 PolarHBondContact OD1-N 3.28Å | ||
| 50 | G | 96.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -106.6 | -153.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V48 A52 P95 H131 C133 G135 | V48-G50 PolarHBondContact O-N 2.69Å; G50-A52 PolarHBondContact O-N 3.17Å; G50-P95 VanDerWaalsContact O-CG 3.24Å; G50-P95 WeakPolarHBondContact O-CG 3.48Å; G50-H131 VanDerWaalsContact CA-O 3.26Å; G50-H131 WeakPolarHBondContact CA-O 3.34Å; G50-C133 WeakPolarHBondContact CA-O 3.27Å; G50-G135 PolarHBondContact N-O 3.41Å | ||
| 51 | V | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -63.9 | 119 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | M57 P95 G135 V573 P575 Q578 H660 | V51-M57 HydrophobicContact CG1-CE 3.75Å; V51-P95 HydrophobicContact CG2-CB 4.38Å; V51-G135 PolarHBondContact O-N 2.68Å; V51-V573 HydrophobicContact CG1-CG2 3.83Å; V51-V573 WeakPolarHBondContact CG1-O 3.48Å; V51-P575 HydrophobicContact CG2-CB 4.38Å; V51-P575 HydrophobicContact CG2-CG 4.14Å; V51-Q578 HydrophobicContact CG1-CB 4.21Å; V51-Q578 HydrophobicContact CG2-CB 4.49Å; V51-H660 WeakPolarHBondContact CG2-CE1 3.43Å |
| 52 | A | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G50 K56 M57 E136 | G50-A52 PolarHBondContact O-N 3.17Å; A52-K56 HydrophobicContact CB-CB 4.01Å; A52-K56 HydrophobicContact CB-CG 4.21Å; A52-M57 WeakPolarHBondContact O-CE 3.43Å; A52-E136 HydrophobicContact CB-CG 3.91Å |
| 53 | P | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -65 | 154.2 | 171.1 | -18.6 | 32.5 | 0 | 0 | 0 | 112.1 | A55 K56 M57 W516 Y520 V525 W528 | P53-A55 PolarHBondContact O-N 3.02Å; P53-A55 VanDerWaalsContact O-N 3.16Å; P53-K56 PolarHBondContact O-N 2.76Å; P53-M57 PolarHBondContact O-N 3.03Å; P53-W516 HydrophobicContact CB-CH2 3.88Å; P53-W516 HydrophobicContact CB-CZ2 3.62Å; P53-W516 HydrophobicContact CG-CH2 4.09Å; P53-W516 HydrophobicContact CG-CZ2 4.12Å; P53-Y520 HydrophobicContact CG-CE2 4.14Å; P53-V525 HydrophobicContact CB-CG1 4.1Å; P53-V525 HydrophobicContact CG-CG1 3.93Å; P53-V525 HydrophobicContact CG-CG2 3.92Å; P53-W528 HydrophobicContact CB-CE3 4.17Å; P53-W528 HydrophobicContact CB-CZ3 4.39Å; P53-W528 HydrophobicContact CG-CE3 4.1Å; P53-W528 HydrophobicContact CG-CH2 4.27Å; P53-W528 HydrophobicContact CG-CZ3 3.84Å |
| 54 | R | 94.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54 | -37.2 | -177.1 | 173.7 | 56 | -168.3 | -151.9 | -9.6 | 113.2 | K56 M57 W528 D529 F531 L634 | R54-K56 PolarHBondContact O-N 3.29Å; R54-M57 WeakPolarHBondContact O-CB 3.49Å; R54-M57 PolarHBondContact O-N 3.3Å; R54-W528 WeakPolarHBondContact CB-O 3.36Å; R54-W528 PolarHBondContact N-O 3.47Å; R54-D529 VanDerWaalsContact CG-O 3.29Å; R54-D529 WeakPolarHBondContact CG-O 3.35Å; R54-F531 HydrophobicContact CG-CB 4.03Å; R54-F531 HydrophobicContact CG-CD1 3.51Å; R54-F531 HydrophobicContact CG-CE1 4.26Å; R54-F531 HydrophobicContact CG-CG 3.94Å; R54-L634 PolarHBondContact NH1-O 3.36Å; R54-L634 VanDerWaalsContact NH1-O 3.16Å; R54-L634 PolarHBondContact NH2-O 2.85Å |
| 55 | A | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -50.6 | -49.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P53 M57 T58 F248 M513 W516 F530 F531 | P53-A55 PolarHBondContact O-N 3.02Å; P53-A55 VanDerWaalsContact O-N 3.16Å; A55-M57 VanDerWaalsContact C-N 3.33Å; A55-M57 PolarHBondContact O-N 2.92Å; A55-T58 PolarHBondContact O-N 3.15Å; A55-F248 HydrophobicContact CB-CB 4.47Å; A55-F248 HydrophobicContact CB-CD1 4.07Å; A55-M513 HydrophobicContact CB-CE 3.4Å; A55-M513 VanDerWaalsContact CB-CE 3.4Å; A55-W516 HydrophobicContact CB-CH2 3.88Å; A55-W516 HydrophobicContact CB-CZ2 4.11Å; A55-W516 HydrophobicContact CB-CZ3 4.14Å; A55-F530 PolarHBondContact N-O 3.42Å; A55-F531 HydrophobicContact CB-CB 4.36Å |
| 56 | K | 94.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70 | -30.1 | -179.5 | -167.7 | 70.2 | 165.5 | -116.9 | 0 | 112.5 | A52 P53 R54 T58 Q59 Q60 E136 D247 F248 | A52-K56 HydrophobicContact CB-CB 4.01Å; A52-K56 HydrophobicContact CB-CG 4.21Å; P53-K56 PolarHBondContact O-N 2.76Å; R54-K56 PolarHBondContact O-N 3.29Å; K56-T58 PolarHBondContact O-N 2.59Å; K56-Q59 PolarHBondContact O-N 2.9Å; K56-Q59 VanDerWaalsContact O-N 3.1Å; K56-Q60 HydrophobicContact CG-CG 4.31Å; K56-Q60 PolarHBondContact O-N 3.24Å; K56-E136 WeakPolarHBondContact CD-OE1 3.38Å; K56-E136 VanDerWaalsContact CE-OE1 3.26Å; K56-E136 WeakPolarHBondContact CE-OE1 3.29Å; K56-E136 WeakPolarHBondContact CE-OE2 3.5Å; K56-E136 WeakPolarHBondContact CG-OE1 3.24Å; K56-E136 WeakPolarHBondContact CG-OE2 3.5Å; K56-E136 IonicContact NZ-OE1 3.82Å; K56-E136 PolarHBondContact NZ-OE1 3.13Å; K56-E136 IonicContact NZ-OE2 3.97Å; K56-E136 PolarHBondContact NZ-OE2 2.87Å; K56-D247 HydrophobicContact CD-CB 4.13Å; K56-D247 WeakPolarHBondContact CE-OD2 3.28Å; K56-D247 IonicContact NZ-OD2 2.94Å; K56-D247 PolarHBondContact NZ-OD2 3.45Å; K56-F248 HydrophobicContact CB-CD1 4.25Å; K56-F248 HydrophobicContact CB-CE1 4.02Å; K56-F248 HydrophobicContact CD-CD1 4.19Å; K56-F248 HydrophobicContact CD-CE1 3.79Å; K56-F248 HydrophobicContact CD-CZ 4.43Å; K56-F248 HydrophobicContact CG-CE1 4.41Å |
| 57 | M | 94.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.6 | -30.8 | 179.5 | -61.3 | -168.7 | -174.4 | 0 | 0 | 112.5 | V51 A52 P53 R54 A55 Q60 R61 V573 Q578 M581 I582 | V51-M57 HydrophobicContact CG1-CE 3.75Å; A52-M57 WeakPolarHBondContact O-CE 3.43Å; P53-M57 PolarHBondContact O-N 3.03Å; R54-M57 WeakPolarHBondContact O-CB 3.49Å; R54-M57 PolarHBondContact O-N 3.3Å; A55-M57 VanDerWaalsContact C-N 3.33Å; A55-M57 PolarHBondContact O-N 2.92Å; M57-Q60 PolarHBondContact O-N 3.22Å; M57-R61 WeakPolarHBondContact O-CB 3.43Å; M57-R61 PolarHBondContact O-N 3.26Å; M57-V573 HydrophobicContact CE-CG2 3.55Å; M57-Q578 HydrophobicContact CE-CB 3.94Å; M57-Q578 HydrophobicContact CE-CG 3.68Å; M57-Q578 HydrophobicContact CG-CG 4.43Å; M57-Q578 HydrophobicContact SD-CB 4.36Å; M57-Q578 HydrophobicContact SD-CG 3.9Å; M57-M581 HydrophobicContact CE-CE 4.49Å; M57-M581 HydrophobicContact SD-CB 4.08Å; M57-M581 HydrophobicContact SD-CE 3.52Å; M57-M581 VanDerWaalsContact SD-CE 3.52Å; M57-M581 HydrophobicContact SD-CG 4.5Å; M57-M581 HydrophobicContact SD-SD 3.7Å; M57-I582 HydrophobicContact CB-CG2 3.97Å; M57-I582 HydrophobicContact CG-CG2 4.37Å |
| 58 | T | 91.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 27% | 0.27 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -60 | -50.5 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | A55 K56 R61 A62 F633 | A55-T58 PolarHBondContact O-N 3.15Å; K56-T58 PolarHBondContact O-N 2.59Å; T58-R61 PolarHBondContact O-N 2.88Å; T58-A62 PolarHBondContact O-N 3.33Å; T58-A62 VanDerWaalsContact O-N 3.09Å; T58-F633 HydrophobicContact CG2-CD1 4.4Å; T58-F633 HydrophobicContact CG2-CE1 3.8Å |
| 59 | Q | 90.4 | Very high | 92.2 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 17% | 0.173 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 177 | -176.3 | -95.5 | 31 | 0 | 0 | 111.3 | K56 R61 A62 R63 D247 | K56-Q59 PolarHBondContact O-N 2.9Å; K56-Q59 VanDerWaalsContact O-N 3.1Å; Q59-R61 PolarHBondContact O-N 3.5Å; Q59-A62 PolarHBondContact O-N 3.4Å; Q59-R63 WeakPolarHBondContact O-CG 3.5Å; Q59-R63 PolarHBondContact O-N 3.34Å; Q59-R63 VanDerWaalsContact O-N 3.11Å; Q59-D247 PolarHBondContact NE2-OD1 3.21Å; Q59-D247 PolarHBondContact NE2-OD2 3.46Å |
| 60 | Q | 92.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.9 | -67.7 | -174.1 | 12.5 | 0 | 0 | 111.5 | K56 M57 R63 R64 I582 | K56-Q60 HydrophobicContact CG-CG 4.31Å; K56-Q60 PolarHBondContact O-N 3.24Å; M57-Q60 PolarHBondContact O-N 3.22Å; Q60-R63 PolarHBondContact O-N 2.88Å; Q60-R64 WeakPolarHBondContact O-CG 3.37Å; Q60-R64 PolarHBondContact O-N 2.88Å; Q60-I582 HydrophobicContact CB-CG2 4.19Å |
| 61 | R | 93.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 5% | 0.045 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 177.8 | -172.9 | -168.5 | -176.5 | 95 | 1.5 | 111.2 | M57 T58 Q59 R63 R64 F65 M581 I582 F609 I631 | M57-R61 WeakPolarHBondContact O-CB 3.43Å; M57-R61 PolarHBondContact O-N 3.26Å; T58-R61 PolarHBondContact O-N 2.88Å; Q59-R61 PolarHBondContact O-N 3.5Å; R61-R63 VanDerWaalsContact C-N 3.32Å; R61-R63 PolarHBondContact O-N 3.45Å; R61-R64 PolarHBondContact O-N 3Å; R61-R64 VanDerWaalsContact O-N 3.17Å; R61-F65 HydrophobicContact CG-CD2 3.96Å; R61-F65 HydrophobicContact CG-CE2 3.89Å; R61-F65 WeakPolarHBondContact O-CD2 3.38Å; R61-F65 PolarHBondContact O-N 3.37Å; R61-M581 WeakPolarHBondContact CD-O 3.31Å; R61-M581 PolarHBondContact NH1-O 3.48Å; R61-I582 HydrophobicContact CB-CB 4.41Å; R61-F609 PolarHBondContact NH2-O 3.19Å; R61-I631 HydrophobicContact CB-CD1 4.5Å; R61-I631 HydrophobicContact CG-CD1 3.7Å |
| 62 | A | 91.2 | Very high | 90 | Very high | 23 Ų | 23 | 31 Ų | 31 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.1 | -48.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T58 Q59 R64 F65 Q66 V629 | T58-A62 PolarHBondContact O-N 3.33Å; T58-A62 VanDerWaalsContact O-N 3.09Å; Q59-A62 PolarHBondContact O-N 3.4Å; A62-R64 PolarHBondContact O-N 2.9Å; A62-F65 PolarHBondContact O-N 3.43Å; A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.93Å; A62-V629 HydrophobicContact CB-CB 3.88Å; A62-V629 HydrophobicContact CB-CG1 4.4Å; A62-V629 HydrophobicContact CB-CG2 4.14Å |
| 63 | R | 89.9 | Confident | 89.4 | Confident | 146 Ų | 146 | 35 Ų | 35 | 55% | 0.551 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -63 | -38.9 | 177.9 | -71.1 | 173.7 | 65.1 | -179.2 | 0.1 | 113.5 | Q59 Q60 R61 S67 | Q59-R63 WeakPolarHBondContact O-CG 3.5Å; Q59-R63 PolarHBondContact O-N 3.34Å; Q59-R63 VanDerWaalsContact O-N 3.11Å; Q60-R63 PolarHBondContact O-N 2.88Å; R61-R63 VanDerWaalsContact C-N 3.32Å; R61-R63 PolarHBondContact O-N 3.45Å; R63-S67 WeakPolarHBondContact O-CB 3.49Å; R63-S67 PolarHBondContact O-N 2.99Å; R63-S67 PolarHBondContact O-OG 2.98Å |
| 64 | R | 91.7 | Very high | 88.4 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 13% | 0.125 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70 | -42.6 | 178 | -59.6 | -39 | -179.2 | 148.6 | 6.6 | 112.1 | Q60 R61 A62 S67 A68 P90 I93 S94 I582 L583 | Q60-R64 WeakPolarHBondContact O-CG 3.37Å; Q60-R64 PolarHBondContact O-N 2.88Å; R61-R64 PolarHBondContact O-N 3Å; R61-R64 VanDerWaalsContact O-N 3.17Å; A62-R64 PolarHBondContact O-N 2.9Å; R64-S67 PolarHBondContact O-N 2.97Å; R64-A68 PolarHBondContact O-N 3.02Å; R64-P90 VanDerWaalsContact NH1-C 3.33Å; R64-P90 PolarHBondContact NH1-O 3.29Å; R64-I93 PolarHBondContact NH2-O 3.46Å; R64-S94 PolarHBondContact NH2-OG 2.77Å; R64-I582 WeakPolarHBondContact CB-O 3.45Å; R64-L583 HydrophobicContact CG-CD2 4.39Å |
| 65 | F | 92.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.6 | -87.2 | -109.3 | 0 | 0 | 0 | 111.4 | R61 A62 S67 A68 L69 P584 F610 P611 F614 I631 | R61-F65 HydrophobicContact CG-CD2 3.96Å; R61-F65 HydrophobicContact CG-CE2 3.89Å; R61-F65 WeakPolarHBondContact O-CD2 3.38Å; R61-F65 PolarHBondContact O-N 3.37Å; A62-F65 PolarHBondContact O-N 3.43Å; F65-S67 PolarHBondContact O-N 3.24Å; F65-A68 PolarHBondContact O-N 2.87Å; F65-L69 PolarHBondContact O-N 3.01Å; F65-P584 HydrophobicContact CD1-CB 4.08Å; F65-P584 HydrophobicContact CD2-CB 3.91Å; F65-P584 HydrophobicContact CE1-CB 4.11Å; F65-P584 HydrophobicContact CE2-CB 3.96Å; F65-P584 HydrophobicContact CG-CB 3.99Å; F65-P584 HydrophobicContact CZ-CB 4.07Å; F65-F610 HydrophobicContact CZ-CD1 4.24Å; F65-P611 HydrophobicContact CE1-CG 4.22Å; F65-F614 HydrophobicContact CB-CE1 3.95Å; F65-F614 HydrophobicContact CB-CZ 4.02Å; F65-F614 HydrophobicContact CD1-CD1 4.12Å; F65-F614 AromaticContact CD1-CE1 3.98Å; F65-F614 HydrophobicContact CD1-CE1 3.98Å; F65-F614 HydrophobicContact CG-CE1 4.49Å; F65-I631 HydrophobicContact CB-CD1 4.31Å; F65-I631 HydrophobicContact CD1-CD1 4.43Å; F65-I631 HydrophobicContact CD1-CG2 4.15Å; F65-I631 HydrophobicContact CD2-CD1 4.06Å; F65-I631 HydrophobicContact CE2-CD1 4.5Å; F65-I631 HydrophobicContact CG-CD1 4.01Å |
| 66 | Q | 87.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 174.7 | -177.2 | 61.6 | 18.6 | 0 | 0 | 112.2 | A62 A68 L69 E70 V629 | A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.93Å; Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.4Å; Q66-L69 PolarHBondContact O-N 2.99Å; Q66-E70 PolarHBondContact NE2-OE1 2.75Å; Q66-E70 WeakPolarHBondContact O-CG 3.14Å; Q66-E70 PolarHBondContact O-N 3.45Å; Q66-V629 HydrophobicContact CB-CG2 4.46Å |
| 67 | S | 84.6 | Confident | 85.7 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 177.9 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | R63 R64 F65 G71 | R63-S67 WeakPolarHBondContact O-CB 3.49Å; R63-S67 PolarHBondContact O-N 2.99Å; R63-S67 PolarHBondContact O-OG 2.98Å; R64-S67 PolarHBondContact O-N 2.97Å; F65-S67 PolarHBondContact O-N 3.24Å; S67-G71 PolarHBondContact O-N 2.89Å |
| 68 | A | 87 | Confident | 84.4 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R64 F65 Q66 G71 R72 P584 D586 | R64-A68 PolarHBondContact O-N 3.02Å; F65-A68 PolarHBondContact O-N 2.87Å; Q66-A68 VanDerWaalsContact C-N 3.33Å; Q66-A68 PolarHBondContact O-N 3.4Å; A68-G71 PolarHBondContact O-N 3.46Å; A68-R72 WeakPolarHBondContact O-CB 3.26Å; A68-R72 PolarHBondContact O-N 2.77Å; A68-P584 HydrophobicContact CB-CB 4.18Å; A68-P584 HydrophobicContact CB-CG 3.56Å; A68-D586 HydrophobicContact CB-CB 4.2Å |
| 69 | L | 85.8 | Confident | 82.6 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 175.2 | 179.3 | 60.2 | 0 | 0 | 0 | 111.6 | F65 Q66 G71 R72 I73 F614 | F65-L69 PolarHBondContact O-N 3.01Å; Q66-L69 PolarHBondContact O-N 2.99Å; L69-G71 VanDerWaalsContact C-N 3.34Å; L69-G71 PolarHBondContact O-N 3.03Å; L69-R72 WeakPolarHBondContact O-CB 3.5Å; L69-R72 PolarHBondContact O-N 3.04Å; L69-R72 VanDerWaalsContact O-N 3.15Å; L69-I73 HydrophobicContact CD1-CD1 4.04Å; L69-I73 HydrophobicContact CD1-CG1 4.4Å; L69-I73 HydrophobicContact CG-CD1 3.99Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.22Å; L69-F614 HydrophobicContact CB-CE1 4.34Å; L69-F614 HydrophobicContact CB-CZ 3.94Å; L69-F614 HydrophobicContact CD2-CE1 4.29Å; L69-F614 HydrophobicContact CD2-CE2 3.91Å; L69-F614 HydrophobicContact CD2-CZ 3.64Å; L69-F614 HydrophobicContact CG-CZ 4.41Å |
| 70 | E | 82.1 | Confident | 80.7 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.2 | -71.9 | -179.6 | -168.4 | 0 | 0 | 111.8 | Q66 R72 I73 A74 | Q66-E70 PolarHBondContact NE2-OE1 2.75Å; Q66-E70 WeakPolarHBondContact O-CG 3.14Å; Q66-E70 PolarHBondContact O-N 3.45Å; E70-R72 VanDerWaalsContact C-N 3.31Å; E70-R72 PolarHBondContact O-N 2.97Å; E70-I73 PolarHBondContact O-N 3.22Å; E70-A74 VanDerWaalsContact O-CB 3.3Å; E70-A74 WeakPolarHBondContact O-CB 3.37Å; E70-A74 PolarHBondContact O-N 3.29Å |
| 71 | G | 79.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.9 | -32.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S67 A68 L69 K75 | S67-G71 PolarHBondContact O-N 2.89Å; A68-G71 PolarHBondContact O-N 3.46Å; L69-G71 VanDerWaalsContact C-N 3.34Å; L69-G71 PolarHBondContact O-N 3.03Å; G71-K75 WeakPolarHBondContact O-CD 3.49Å; G71-K75 VanDerWaalsContact O-CG 3.24Å; G71-K75 WeakPolarHBondContact O-CG 3.31Å; G71-K75 PolarHBondContact O-N 3.39Å |
| 72 | R | 81.2 | Confident | 75.9 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.8 | -50.2 | 174.7 | -159.7 | -169.8 | -58.7 | 148.6 | 1.2 | 110.7 | A68 L69 E70 A74 K75 E76 D586 K612 | A68-R72 WeakPolarHBondContact O-CB 3.26Å; A68-R72 PolarHBondContact O-N 2.77Å; L69-R72 WeakPolarHBondContact O-CB 3.5Å; L69-R72 PolarHBondContact O-N 3.04Å; L69-R72 VanDerWaalsContact O-N 3.15Å; E70-R72 VanDerWaalsContact C-N 3.31Å; E70-R72 PolarHBondContact O-N 2.97Å; R72-A74 VanDerWaalsContact C-N 3.3Å; R72-A74 PolarHBondContact O-N 3.31Å; R72-K75 WeakPolarHBondContact O-CB 3.24Å; R72-K75 PolarHBondContact O-N 3.48Å; R72-K75 VanDerWaalsContact O-N 3.15Å; R72-E76 PolarHBondContact O-N 2.65Å; R72-D586 IonicContact CZ-OD2 3.45Å; R72-D586 IonicContact NE-OD1 3.16Å; R72-D586 PolarHBondContact NE-OD1 2.86Å; R72-D586 IonicContact NE-OD2 2.69Å; R72-D586 IonicContact NH2-OD1 3.43Å; R72-D586 IonicContact NH2-OD2 2.73Å; R72-D586 PolarHBondContact NH2-OD2 2.91Å; R72-K612 PolarHBondContact NH1-O 3.43Å; R72-K612 PolarHBondContact NH2-O 3.33Å |
| 73 | I | 82.1 | Confident | 73.5 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 176.5 | -66.5 | 166.2 | 0 | 0 | 0 | 111 | L69 E70 E76 N77 | L69-I73 HydrophobicContact CD1-CD1 4.04Å; L69-I73 HydrophobicContact CD1-CG1 4.4Å; L69-I73 HydrophobicContact CG-CD1 3.99Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.22Å; E70-I73 PolarHBondContact O-N 3.22Å; I73-E76 PolarHBondContact O-N 3.05Å; I73-N77 WeakPolarHBondContact CG2-ND2 3.46Å; I73-N77 PolarHBondContact O-N 2.85Å; I73-N77 VanDerWaalsContact O-N 3.09Å; I73-N77 PolarHBondContact O-ND2 2.72Å |
| 74 | A | 75.8 | Confident | 71.1 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 44% | 0.438 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E70 R72 N77 L78 | E70-A74 VanDerWaalsContact O-CB 3.3Å; E70-A74 WeakPolarHBondContact O-CB 3.37Å; E70-A74 PolarHBondContact O-N 3.29Å; R72-A74 VanDerWaalsContact C-N 3.3Å; R72-A74 PolarHBondContact O-N 3.31Å; A74-N77 PolarHBondContact O-N 2.71Å; A74-L78 WeakPolarHBondContact O-CG 3.48Å; A74-L78 PolarHBondContact O-N 2.7Å |
| 75 | K | 74.2 | Confident | 68.8 | Low | 140 Ų | 140 | 85 Ų | 85 | 61% | 0.609 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 175.2 | -70.4 | 162.4 | -171.9 | 168.8 | 0 | 111.8 | G71 R72 N77 L78 | G71-K75 WeakPolarHBondContact O-CD 3.49Å; G71-K75 VanDerWaalsContact O-CG 3.24Å; G71-K75 WeakPolarHBondContact O-CG 3.31Å; G71-K75 PolarHBondContact O-N 3.39Å; R72-K75 WeakPolarHBondContact O-CB 3.24Å; R72-K75 PolarHBondContact O-N 3.48Å; R72-K75 VanDerWaalsContact O-N 3.15Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 2.69Å; K75-L78 PolarHBondContact O-N 2.96Å |
| 76 | E | 76.6 | Confident | 67 | Low | 100 Ų | 100 | 92 Ų | 92 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.5 | -23.8 | -179.2 | -75.2 | -172.4 | -138.7 | 0 | 0 | 114.8 | R72 I73 K79 | R72-E76 PolarHBondContact O-N 2.65Å; I73-E76 PolarHBondContact O-N 3.05Å; E76-K79 WeakPolarHBondContact O-CD 3.14Å; E76-K79 WeakPolarHBondContact O-CE 3.27Å; E76-K79 VanDerWaalsContact O-CG 3.31Å; E76-K79 WeakPolarHBondContact O-CG 3.46Å; E76-K79 PolarHBondContact O-NZ 2.87Å; E76-K79 IonicContact OE2-NZ 3.97Å |
| 77 | N | 74.2 | Confident | 66.1 | Low | 127 Ų | 127 | 94.2 Ų | 94.2 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -79.8 | -17.3 | 172.5 | -78.4 | -72.7 | 0 | 0 | 0 | 112.9 | I73 A74 K75 K79 | I73-N77 WeakPolarHBondContact CG2-ND2 3.46Å; I73-N77 PolarHBondContact O-N 2.85Å; I73-N77 VanDerWaalsContact O-N 3.09Å; I73-N77 PolarHBondContact O-ND2 2.72Å; A74-N77 PolarHBondContact O-N 2.71Å; K75-N77 VanDerWaalsContact C-N 3.32Å; K75-N77 PolarHBondContact O-N 2.69Å; N77-K79 VanDerWaalsContact C-N 3.29Å; N77-K79 PolarHBondContact O-N 2.8Å |
| 78 | L | 67.9 | Low | 65.9 | Low | 98 Ų | 98 | 94.2 Ų | 94.2 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | trans | -89.8 | 36.3 | -179 | -68.9 | 167.9 | 0 | 0 | 0 | 113.1 | A74 K75 D80 | A74-L78 WeakPolarHBondContact O-CG 3.48Å; A74-L78 PolarHBondContact O-N 2.7Å; K75-L78 PolarHBondContact O-N 2.96Å; L78-D80 PolarHBondContact O-N 3.38Å | ||
| 79 | K | 54.8 | Low | 65.8 | Low | 155 Ų | 155 | 95.3 Ų | 95.3 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | trans | -72.1 | 7.8 | -172.9 | -84.1 | 168.5 | -175.2 | 147.7 | 0 | 116.3 | E76 N77 | E76-K79 WeakPolarHBondContact O-CD 3.14Å; E76-K79 WeakPolarHBondContact O-CE 3.27Å; E76-K79 VanDerWaalsContact O-CG 3.31Å; E76-K79 WeakPolarHBondContact O-CG 3.46Å; E76-K79 PolarHBondContact O-NZ 2.87Å; E76-K79 IonicContact OE2-NZ 3.97Å; N77-K79 VanDerWaalsContact C-N 3.29Å; N77-K79 PolarHBondContact O-N 2.8Å | ||
| 80 | D | 49.5 | Very low | 65.8 | Low | 142 Ų | 142 | 95 Ų | 95 | 76% | 0.759 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -84.1 | 142.2 | 165.8 | -86.4 | -43.9 | 0 | 0 | 0 | 110.6 | L78 S82 | L78-D80 PolarHBondContact O-N 3.38Å; D80-S82 PolarHBondContact O-N 2.85Å |
| 81 | N | 45.2 | Very low | 66.2 | Low | 168 Ų | 168 | 90.5 Ų | 90.5 | 90% | 0.898 | 48% | 0.481 | S | S | * | . | trans | -75 | 40.2 | -164.9 | -67.5 | -79.9 | 0 | 0 | 0 | 115.8 | ||||
| 82 | S | 41.6 | Very low | 66.8 | Low | 74 Ų | 74 | 90.7 Ų | 90.7 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | trans | -76.1 | 130.8 | 167.1 | 54 | 0 | 0 | 0 | 0 | 110.8 | D80 E84 | D80-S82 PolarHBondContact O-N 2.85Å; S82-E84 PolarHBondContact O-N 3.03Å | ||
| 83 | P | 39.1 | Very low | 67.3 | Low | 119 Ų | 119 | 88.5 Ų | 88.5 | 77% | 0.773 | 47% | 0.47 | S | S | * | . | trans | -71.7 | 128.3 | -174.7 | 27.8 | -34.3 | 0 | 0 | 0 | 113.1 | T85 | P83-T85 PolarHBondContact O-N 3.46Š| ||
| 84 | E | 40.6 | Very low | 67.8 | Low | 130 Ų | 130 | 84.4 Ų | 84.4 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | trans | 52.9 | 52.5 | 150.4 | -69.1 | -177.6 | 174.1 | 0 | 0 | 117.4 | S82 Y86 | S82-E84 PolarHBondContact O-N 3.03Å; E84-Y86 HydrophobicContact CB-CD2 3.86Å; E84-Y86 HydrophobicContact CB-CE2 3.59Å; E84-Y86 HydrophobicContact CG-CD2 4.46Å; E84-Y86 HydrophobicContact CG-CE2 3.71Å; E84-Y86 PolarHBondContact O-N 3.19Å | ||
| 85 | T | 43.9 | Very low | 68.8 | Low | 93 Ų | 93 | 82.4 Ų | 82.4 | 57% | 0.571 | 43% | 0.431 | S | S | * | . | trans | -71 | 78.4 | 161 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | P83 S87 | P83-T85 PolarHBondContact O-N 3.46Å; T85-S87 PolarHBondContact O-N 3.02Å | ||
| 86 | Y | 53.9 | Low | 69.7 | Low | 151 Ų | 151 | 75.7 Ų | 75.7 | 59% | 0.592 | 40% | 0.402 | S | S | * | . | trans | -73.8 | 97.6 | 174.8 | -74.3 | -72.8 | 0 | 0 | 0 | 112.1 | I17 E84 | I17-Y86 WeakPolarHBondContact CD1-O 3.45Å; I17-Y86 VanDerWaalsContact CG1-O 3.27Å; I17-Y86 WeakPolarHBondContact CG1-O 3.31Å; E84-Y86 HydrophobicContact CB-CD2 3.86Å; E84-Y86 HydrophobicContact CB-CE2 3.59Å; E84-Y86 HydrophobicContact CG-CD2 4.46Å; E84-Y86 HydrophobicContact CG-CE2 3.71Å; E84-Y86 PolarHBondContact O-N 3.19Å | ||
| 87 | S | 68.4 | Low | 70.6 | Confident | 78 Ų | 78 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | trans | -58.2 | 138 | 165.1 | 55.6 | 0 | 0 | 0 | 0 | 111 | T85 D89 | T85-S87 PolarHBondContact O-N 3.02Å; S87-D89 PolarHBondContact O-N 3.37Å | ||
| 88 | F | 80.6 | Confident | 71.5 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | trans | -56.6 | 128.6 | 167.5 | 179.6 | -85.1 | 0 | 0 | 0 | 109.6 | H10 I23 P90 V92 I93 F99 | H10-F88 HydrophobicContact CB-CB 4.49Å; H10-F88 HydrophobicContact CB-CD1 4.45Å; H10-F88 AromaticContact CE1-CD1 3.92Å; H10-F88 AromaticContact CE1-CE1 3.86Å; H10-F88 AromaticContact ND1-CD1 3.3Å; H10-F88 VanDerWaalsContact ND1-CD1 3.3Å; H10-F88 WeakPolarHBondContact ND1-CD1 3.2Å; H10-F88 AromaticContact ND1-CE1 3.52Å; I23-F88 HydrophobicContact CD1-CD2 3.97Å; I23-F88 HydrophobicContact CD1-CE2 3.78Å; F88-P90 WeakPolarHBondContact O-CD 3.19Å; F88-V92 HydrophobicContact CE1-CG2 3.91Å; F88-V92 HydrophobicContact CE2-CG2 3.99Å; F88-V92 HydrophobicContact CZ-CG2 3.39Å; F88-I93 HydrophobicContact CE1-CD1 3.91Å; F88-I93 HydrophobicContact CE1-CG1 4.01Å; F88-I93 HydrophobicContact CZ-CD1 4.2Å; F88-I93 HydrophobicContact CZ-CG1 4.07Å; F88-F99 HydrophobicContact CE2-CE2 4.2Å; F88-F99 HydrophobicContact CE2-CZ 4.34Å; F88-F99 HydrophobicContact CZ-CE2 4.39Å; F88-F99 HydrophobicContact CZ-CZ 4.13Å | ||
| 89 | D | 84.1 | Confident | 72.8 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 20% | 0.198 | 35% | 0.35 | C | S | . | . | trans | -82.8 | 113.4 | 176.7 | -177.2 | -7.9 | 0 | 0 | 0 | 109.8 | S87 C91 V92 S587 Y589 | S87-D89 PolarHBondContact O-N 3.37Å; D89-C91 PolarHBondContact O-N 2.8Å; D89-C91 VanDerWaalsContact O-N 3.1Å; D89-C91 WeakPolarHBondContact OD1-CB 3.44Å; D89-C91 PolarHBondContact OD1-N 3.28Å; D89-C91 PolarHBondContact OD1-SG 3.04Å; D89-V92 HydrophobicContact CB-CG1 4.45Å; D89-V92 WeakPolarHBondContact O-CG2 3.44Å; D89-V92 PolarHBondContact O-N 3.32Å; D89-S587 PolarHBondContact OD2-OG 2.94Å; D89-S587 VanDerWaalsContact OD2-OG 3.05Å; D89-Y589 WeakPolarHBondContact CB-OH 3.41Å; D89-Y589 PolarHBondContact OD2-OH 3.19Å | ||
| 90 | P | 86.3 | Confident | 74.8 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -60.4 | -21 | 178.9 | -21.9 | 34.9 | 0 | 0 | 0 | 113.8 | R64 F88 V92 I93 | R64-P90 VanDerWaalsContact NH1-C 3.33Å; R64-P90 PolarHBondContact NH1-O 3.29Å; F88-P90 WeakPolarHBondContact O-CD 3.19Å; P90-V92 PolarHBondContact O-N 2.87Å; P90-I93 PolarHBondContact O-N 2.85Å; P90-I93 VanDerWaalsContact O-N 3.1Å |
| 91 | C | 90.5 | Very high | 77 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.4 | -22.2 | 178.1 | -68.5 | 0 | 0 | 0 | 0 | 113.5 | D89 I93 S94 L583 I590 | D89-C91 PolarHBondContact O-N 2.8Å; D89-C91 VanDerWaalsContact O-N 3.1Å; D89-C91 WeakPolarHBondContact OD1-CB 3.44Å; D89-C91 PolarHBondContact OD1-N 3.28Å; D89-C91 PolarHBondContact OD1-SG 3.04Å; C91-I93 PolarHBondContact O-N 2.63Å; C91-S94 WeakPolarHBondContact O-CB 3.44Å; C91-S94 PolarHBondContact O-OG 3.04Å; C91-L583 HydrophobicContact CB-CD2 3.76Å; C91-I590 HydrophobicContact CB-CD1 3.55Å |
| 92 | V | 92.2 | Very high | 79.4 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -66.6 | -22.4 | 174.9 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | F88 D89 P90 S94 T97 F99 I590 | F88-V92 HydrophobicContact CE1-CG2 3.91Å; F88-V92 HydrophobicContact CE2-CG2 3.99Å; F88-V92 HydrophobicContact CZ-CG2 3.39Å; D89-V92 HydrophobicContact CB-CG1 4.45Å; D89-V92 WeakPolarHBondContact O-CG2 3.44Å; D89-V92 PolarHBondContact O-N 3.32Å; P90-V92 PolarHBondContact O-N 2.87Å; V92-S94 PolarHBondContact O-N 2.82Å; V92-T97 WeakPolarHBondContact O-CG2 3.41Å; V92-T97 PolarHBondContact O-OG1 3.04Å; V92-F99 HydrophobicContact CB-CB 4.24Å; V92-F99 HydrophobicContact CB-CG 4.41Å; V92-F99 HydrophobicContact CG2-CB 4.31Å; V92-F99 HydrophobicContact CG2-CD1 3.94Å; V92-F99 HydrophobicContact CG2-CD2 4.37Å; V92-F99 HydrophobicContact CG2-CE1 4.36Å; V92-F99 HydrophobicContact CG2-CG 3.95Å; V92-I590 HydrophobicContact CG1-CD1 3.78Å; V92-I590 HydrophobicContact CG1-CG1 4.29Å |
| 93 | I | 92.3 | Very high | 81.9 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -81.6 | 64.9 | 171.8 | -44.1 | 179.7 | 0 | 0 | 0 | 108.5 | L5 R64 F88 P90 C91 F99 M100 | L5-I93 HydrophobicContact CB-CD1 4.21Å; L5-I93 HydrophobicContact CB-CG2 4.27Å; L5-I93 HydrophobicContact CD1-CG2 3.92Å; R64-I93 PolarHBondContact NH2-O 3.46Å; F88-I93 HydrophobicContact CE1-CD1 3.91Å; F88-I93 HydrophobicContact CE1-CG1 4.01Å; F88-I93 HydrophobicContact CZ-CD1 4.2Å; F88-I93 HydrophobicContact CZ-CG1 4.07Å; P90-I93 PolarHBondContact O-N 2.85Å; P90-I93 VanDerWaalsContact O-N 3.1Å; C91-I93 PolarHBondContact O-N 2.63Å; I93-F99 HydrophobicContact CG1-CE1 4.18Å; I93-M100 HydrophobicContact CG2-SD 4.12Å |
| 94 | S | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -135 | 146.7 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | R64 C91 V92 T97 M100 | R64-S94 PolarHBondContact NH2-OG 2.77Å; C91-S94 WeakPolarHBondContact O-CB 3.44Å; C91-S94 PolarHBondContact O-OG 3.04Å; V92-S94 PolarHBondContact O-N 2.82Å; S94-T97 VanDerWaalsContact O-CG2 3.28Å; S94-T97 WeakPolarHBondContact O-CG2 3.32Å; S94-T97 PolarHBondContact O-N 3.36Å; S94-T97 PolarHBondContact O-OG1 3.04Å; S94-M100 WeakPolarHBondContact O-CG 3.42Å |
| 95 | P | 95.4 | Very high | 87.3 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 140.8 | 177.4 | -28.4 | 35.6 | 0 | 0 | 0 | 113.2 | G50 V51 T97 Q579 | G50-P95 VanDerWaalsContact O-CG 3.24Å; G50-P95 WeakPolarHBondContact O-CG 3.48Å; V51-P95 HydrophobicContact CG2-CB 4.38Å; P95-T97 VanDerWaalsContact C-N 3.3Å; P95-T97 PolarHBondContact O-N 2.69Å; P95-Q579 PolarHBondContact O-NE2 3.41Å |
| 96 | G | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 5.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q579 R657 | G96-Q579 PolarHBondContact O-NE2 3.18Å; G96-Q579 VanDerWaalsContact O-NE2 3.14Å; G96-R657 WeakPolarHBondContact O-CD 3.3Å; G96-R657 WeakPolarHBondContact O-CG 3.5Å; G96-R657 PolarHBondContact O-NH1 3.06Å |
| 97 | T | 95 | Very high | 91.6 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | trans | -73.8 | 159.2 | 169.7 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | V92 S94 P95 F99 M100 E101 I590 | V92-T97 WeakPolarHBondContact O-CG2 3.41Å; V92-T97 PolarHBondContact O-OG1 3.04Å; S94-T97 VanDerWaalsContact O-CG2 3.28Å; S94-T97 WeakPolarHBondContact O-CG2 3.32Å; S94-T97 PolarHBondContact O-N 3.36Å; S94-T97 PolarHBondContact O-OG1 3.04Å; P95-T97 VanDerWaalsContact C-N 3.3Å; P95-T97 PolarHBondContact O-N 2.69Å; T97-F99 VanDerWaalsContact C-N 3.28Å; T97-F99 PolarHBondContact O-N 3.37Å; T97-M100 PolarHBondContact O-N 3.26Å; T97-M100 WeakPolarHBondContact OG1-CG 3.33Å; T97-M100 PolarHBondContact OG1-N 3.18Å; T97-E101 PolarHBondContact O-N 2.83Å; T97-E101 VanDerWaalsContact O-N 3.08Å; T97-I590 HydrophobicContact CG2-CG2 3.38Å | ||
| 98 | E | 94.7 | Very high | 92.9 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 50% | 0.5 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64 | -36.2 | 176.2 | -57.5 | -170.7 | 166.4 | 0 | 0 | 112.6 | M100 E101 R102 | E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 2.86Å; E98-E101 PolarHBondContact O-N 3.23Å; E98-R102 VanDerWaalsContact CB-NH1 3.3Å; E98-R102 WeakPolarHBondContact O-CB 3.48Å; E98-R102 WeakPolarHBondContact O-CG 3.05Å; E98-R102 PolarHBondContact O-N 3.01Å; E98-R102 IonicContact OE2-NH1 2.96Å; E98-R102 PolarHBondContact OE2-NH1 3.41Å |
| 99 | F | 94.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 175.9 | 172.5 | -94 | 0 | 0 | 0 | 110.5 | E20 I23 F24 F88 V92 I93 T97 R102 L103 | E20-F99 HydrophobicContact CG-CD2 4.1Å; E20-F99 HydrophobicContact CG-CE2 4.04Å; I23-F99 HydrophobicContact CG2-CZ 4.28Å; F24-F99 HydrophobicContact CE1-CD2 4.21Å; F24-F99 AromaticContact CE1-CE2 3.68Å; F24-F99 HydrophobicContact CE1-CE2 3.68Å; F24-F99 AromaticContact CE1-CZ 3.91Å; F24-F99 HydrophobicContact CE1-CZ 3.91Å; F24-F99 HydrophobicContact CZ-CD2 4.41Å; F24-F99 HydrophobicContact CZ-CE2 4.31Å; F88-F99 HydrophobicContact CE2-CE2 4.2Å; F88-F99 HydrophobicContact CE2-CZ 4.34Å; F88-F99 HydrophobicContact CZ-CE2 4.39Å; F88-F99 HydrophobicContact CZ-CZ 4.13Å; V92-F99 HydrophobicContact CB-CB 4.24Å; V92-F99 HydrophobicContact CB-CG 4.41Å; V92-F99 HydrophobicContact CG2-CB 4.31Å; V92-F99 HydrophobicContact CG2-CD1 3.94Å; V92-F99 HydrophobicContact CG2-CD2 4.37Å; V92-F99 HydrophobicContact CG2-CE1 4.36Å; V92-F99 HydrophobicContact CG2-CG 3.95Å; I93-F99 HydrophobicContact CG1-CE1 4.18Å; T97-F99 VanDerWaalsContact C-N 3.28Å; T97-F99 PolarHBondContact O-N 3.37Å; F99-R102 PolarHBondContact O-N 3.2Å; F99-L103 WeakPolarHBondContact O-CB 3.49Å; F99-L103 PolarHBondContact O-N 3.3Å |
| 100 | M | 96 | Very high | 94 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 178.5 | -67.7 | -58.2 | -76.5 | 0 | 0 | 112.3 | L5 V48 I93 S94 T97 E98 R102 L103 H104 H131 | L5-M100 HydrophobicContact CD1-CE 3.99Å; L5-M100 HydrophobicContact CD1-SD 4.39Å; V48-M100 HydrophobicContact CG1-CE 3.56Å; I93-M100 HydrophobicContact CG2-SD 4.12Å; S94-M100 WeakPolarHBondContact O-CG 3.42Å; T97-M100 PolarHBondContact O-N 3.26Å; T97-M100 WeakPolarHBondContact OG1-CG 3.33Å; T97-M100 PolarHBondContact OG1-N 3.18Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-M100 PolarHBondContact O-N 2.86Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 3.19Å; M100-L103 HydrophobicContact CE-CD2 4.2Å; M100-L103 PolarHBondContact O-N 3.05Å; M100-L103 HydrophobicContact SD-CD2 3.84Å; M100-H104 WeakPolarHBondContact O-CB 3.48Å; M100-H104 PolarHBondContact O-N 3.36Å; M100-H131 HydrophobicContact CE-CB 4.02Å; M100-H131 PolarHBondContact O-CD2 3.09Å; M100-H131 PolarHBondContact O-NE2 2.55Å; M100-H131 VanDerWaalsContact O-NE2 3.16Å |
| 101 | E | 95.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.2 | -27.4 | 175.1 | -178.3 | 69.4 | -132.8 | 0 | 0 | 112.6 | T97 E98 R105 H131 K661 | T97-E101 PolarHBondContact O-N 2.83Å; T97-E101 VanDerWaalsContact O-N 3.08Å; E98-E101 PolarHBondContact O-N 3.23Å; E101-R105 PolarHBondContact O-N 3.33Å; E101-R105 PolarHBondContact O-NE 3.44Å; E101-R105 IonicContact OE1-NE 2.75Å; E101-H131 PolarHBondContact N-NE2 2.95Å; E101-K661 IonicContact OE1-NZ 2.64Å; E101-K661 PolarHBondContact OE1-NZ 3.25Å; E101-K661 IonicContact OE2-NZ 3.96Å; E101-K661 PolarHBondContact OE2-NZ 3.49Å |
| 102 | R | 95.5 | Very high | 94.4 | Very high | 86 Ų | 86 | 34.5 Ų | 34.5 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.6 | -43.6 | 169.4 | -72.8 | -171.4 | -60.3 | -100.5 | 4.9 | 111.1 | E20 F24 E98 F99 M100 R105 H106 | E20-R102 VanDerWaalsContact OE1-CD 3.32Å; E20-R102 WeakPolarHBondContact OE1-CD 3.48Å; E20-R102 IonicContact OE1-CZ 3.5Å; E20-R102 IonicContact OE1-NE 3.46Å; E20-R102 PolarHBondContact OE1-NE 3Å; E20-R102 IonicContact OE1-NH2 3.64Å; E20-R102 IonicContact OE2-CZ 2.81Å; E20-R102 IonicContact OE2-NE 3.62Å; E20-R102 PolarHBondContact OE2-NE 3.25Å; E20-R102 IonicContact OE2-NH2 2.73Å; E20-R102 PolarHBondContact OE2-NH2 2.99Å; F24-R102 HydrophobicContact CE2-CB 4.01Å; F24-R102 HydrophobicContact CZ-CB 4Å; E98-R102 VanDerWaalsContact CB-NH1 3.3Å; E98-R102 WeakPolarHBondContact O-CB 3.48Å; E98-R102 WeakPolarHBondContact O-CG 3.05Å; E98-R102 PolarHBondContact O-N 3.01Å; E98-R102 IonicContact OE2-NH1 2.96Å; E98-R102 PolarHBondContact OE2-NH1 3.41Å; F99-R102 PolarHBondContact O-N 3.2Å; M100-R102 VanDerWaalsContact C-N 3.35Å; M100-R102 PolarHBondContact O-N 3.19Å; R102-R105 PolarHBondContact O-N 2.62Å; R102-H106 PolarHBondContact O-N 3.27Å |
| 103 | L | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 175 | 175.2 | 63.3 | 0 | 0 | 0 | 112 | L5 F24 I27 F99 M100 R105 H106 L107 | L5-L103 HydrophobicContact CD1-CD2 4.08Å; L5-L103 HydrophobicContact CD2-CD2 3.71Å; F24-L103 HydrophobicContact CD1-CB 4.38Å; F24-L103 HydrophobicContact CD1-CD1 3.68Å; F24-L103 HydrophobicContact CE1-CB 3.67Å; F24-L103 HydrophobicContact CE1-CD1 3.84Å; F24-L103 HydrophobicContact CE1-CG 4.27Å; F24-L103 HydrophobicContact CG-CD1 4.32Å; F24-L103 HydrophobicContact CZ-CB 3.8Å; I27-L103 HydrophobicContact CD1-CD1 3.9Å; F99-L103 WeakPolarHBondContact O-CB 3.49Å; F99-L103 PolarHBondContact O-N 3.3Å; M100-L103 HydrophobicContact CE-CD2 4.2Å; M100-L103 PolarHBondContact O-N 3.05Å; M100-L103 HydrophobicContact SD-CD2 3.84Å; L103-R105 PolarHBondContact O-N 3.29Å; L103-H106 WeakPolarHBondContact O-CB 3.48Å; L103-H106 PolarHBondContact O-N 3Å; L103-H106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CD1-CD1 4.1Å; L103-L107 HydrophobicContact CD1-CG 4.06Å; L103-L107 HydrophobicContact CG-CD1 3.98Å; L103-L107 HydrophobicContact CG-CG 4.35Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.31Å |
| 104 | H | 96.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.7 | -51.4 | 177.2 | 174.1 | 112.9 | 0 | 0 | 0 | 110.3 | M100 H106 L107 V108 D132 | M100-H104 WeakPolarHBondContact O-CB 3.48Å; M100-H104 PolarHBondContact O-N 3.36Å; H104-H106 VanDerWaalsContact C-N 3.28Å; H104-H106 PolarHBondContact O-N 3.49Å; H104-L107 PolarHBondContact O-N 2.73Å; H104-L107 VanDerWaalsContact O-N 3.12Å; H104-V108 WeakPolarHBondContact NE2-CG2 3.34Å; H104-V108 WeakPolarHBondContact O-CG2 3.42Å; H104-V108 PolarHBondContact O-N 3Å; H104-D132 VanDerWaalsContact CE1-CG 3.42Å; H104-D132 IonicContact CE1-OD1 3.52Å; H104-D132 PolarHBondContact CE1-OD1 3.38Å; H104-D132 IonicContact CE1-OD2 3.97Å; H104-D132 PolarHBondContact CE1-OD2 2.9Å; H104-D132 IonicContact ND1-OD1 2.83Å; H104-D132 PolarHBondContact ND1-OD1 2.74Å; H104-D132 IonicContact ND1-OD2 2.82Å; H104-D132 PolarHBondContact ND1-OD2 2.8Å; H104-D132 IonicContact NE2-OD2 2.76Å |
| 105 | R | 95.4 | Very high | 93.6 | Very high | 136 Ų | 136 | 39.2 Ų | 39.2 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 179.1 | -74.3 | 176.9 | -73.4 | 158.5 | -7.8 | 113 | E101 R102 L103 T109 | E101-R105 PolarHBondContact O-N 3.33Å; E101-R105 PolarHBondContact O-NE 3.44Å; E101-R105 IonicContact OE1-NE 2.75Å; R102-R105 PolarHBondContact O-N 2.62Å; L103-R105 PolarHBondContact O-N 3.29Å; R105-T109 WeakPolarHBondContact O-CB 3.21Å; R105-T109 PolarHBondContact O-N 2.93Å; R105-T109 VanDerWaalsContact O-N 3.1Å; R105-T109 PolarHBondContact O-OG1 3.09Å |
| 106 | H | 94.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 172.8 | -161.9 | 90.3 | 0 | 0 | 0 | 111.8 | F24 R102 L103 H104 T109 F110 | F24-H106 HydrophobicContact CD2-CB 4Å; F24-H106 AromaticContact CD2-CG 3.96Å; F24-H106 HydrophobicContact CE2-CB 4.46Å; R102-H106 PolarHBondContact O-N 3.27Å; L103-H106 WeakPolarHBondContact O-CB 3.48Å; L103-H106 PolarHBondContact O-N 3Å; L103-H106 VanDerWaalsContact O-N 3.14Å; H104-H106 VanDerWaalsContact C-N 3.28Å; H104-H106 PolarHBondContact O-N 3.49Å; H106-T109 PolarHBondContact O-N 3.19Å; H106-F110 WeakPolarHBondContact O-CB 3.38Å; H106-F110 PolarHBondContact O-N 3.24Å |
| 107 | L | 95.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.4 | -70.4 | 173.5 | 0 | 0 | 0 | 112.4 | I27 I31 V48 L103 H104 T109 F110 V111 L128 | I27-L107 HydrophobicContact CG2-CD2 4.3Å; I31-L107 HydrophobicContact CD1-CD2 3.6Å; V48-L107 HydrophobicContact CG2-CD1 4.35Å; L103-L107 HydrophobicContact CD1-CD1 4.1Å; L103-L107 HydrophobicContact CD1-CG 4.06Å; L103-L107 HydrophobicContact CG-CD1 3.98Å; L103-L107 HydrophobicContact CG-CG 4.35Å; L103-L107 WeakPolarHBondContact O-CG 3.45Å; L103-L107 PolarHBondContact O-N 3.31Å; H104-L107 PolarHBondContact O-N 2.73Å; H104-L107 VanDerWaalsContact O-N 3.12Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 2.66Å; L107-F110 WeakPolarHBondContact O-CB 3.5Å; L107-F110 PolarHBondContact O-N 3.1Å; L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 3Å; L107-L128 HydrophobicContact CB-CD2 4.26Å |
| 108 | V | 95.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 47 Ų | 47 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | H104 F110 V111 E112 L128 L664 | H104-V108 WeakPolarHBondContact NE2-CG2 3.34Å; H104-V108 WeakPolarHBondContact O-CG2 3.42Å; H104-V108 PolarHBondContact O-N 3Å; V108-F110 VanDerWaalsContact C-N 3.3Å; V108-F110 PolarHBondContact O-N 3.04Å; V108-V111 PolarHBondContact O-N 3.02Å; V108-E112 WeakPolarHBondContact O-CB 3.49Å; V108-E112 PolarHBondContact O-N 2.96Å; V108-L128 HydrophobicContact CG2-CD2 3.84Å; V108-L664 HydrophobicContact CG1-CD1 4.46Å; V108-L664 HydrophobicContact CG2-CD1 3.53Å |
| 109 | T | 94 | Very high | 90.1 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 56% | 0.564 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63.1 | -37.4 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | R105 H106 L107 K113 | R105-T109 WeakPolarHBondContact O-CB 3.21Å; R105-T109 PolarHBondContact O-N 2.93Å; R105-T109 VanDerWaalsContact O-N 3.1Å; R105-T109 PolarHBondContact O-OG1 3.09Å; H106-T109 PolarHBondContact O-N 3.19Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 2.66Å; T109-K113 WeakPolarHBondContact O-CB 3.44Å; T109-K113 PolarHBondContact O-N 3.32Å |
| 110 | F | 93.3 | Very high | 89 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.088 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 175.8 | 169.3 | -90.9 | 0 | 0 | 0 | 112.3 | C28 I31 Q32 H106 L107 V108 K113 H114 W121 | C28-F110 HydrophobicContact CB-CD2 3.55Å; C28-F110 HydrophobicContact CB-CE2 3.52Å; C28-F110 HydrophobicContact CB-CG 4.31Å; C28-F110 HydrophobicContact CB-CZ 4.28Å; C28-F110 WeakPolarHBondContact O-CZ 3.25Å; C28-F110 WeakPolarHBondContact SG-CD2 3.37Å; C28-F110 VanDerWaalsContact SG-CG 3.58Å; I31-F110 HydrophobicContact CB-CE1 4.13Å; I31-F110 HydrophobicContact CB-CZ 4.16Å; I31-F110 HydrophobicContact CD1-CE1 4.23Å; I31-F110 HydrophobicContact CG2-CE1 3.78Å; I31-F110 HydrophobicContact CG2-CZ 4.13Å; Q32-F110 HydrophobicContact CB-CZ 4.47Å; H106-F110 WeakPolarHBondContact O-CB 3.38Å; H106-F110 PolarHBondContact O-N 3.24Å; L107-F110 WeakPolarHBondContact O-CB 3.5Å; L107-F110 PolarHBondContact O-N 3.1Å; V108-F110 VanDerWaalsContact C-N 3.3Å; V108-F110 PolarHBondContact O-N 3.04Å; F110-K113 PolarHBondContact O-N 3.34Å; F110-H114 AromaticContact CD2-CE1 3.52Å; F110-H114 AromaticContact CD2-ND1 3.79Å; F110-H114 AromaticContact CE2-CE1 3.2Å; F110-H114 WeakPolarHBondContact CE2-CE1 3.29Å; F110-H114 AromaticContact CE2-ND1 3.7Å; F110-H114 AromaticContact CZ-CE1 3.68Å; F110-H114 AromaticContact CZ-ND1 3.86Å; F110-H114 PolarHBondContact O-N 3.29Å; F110-H114 VanDerWaalsContact O-N 3.1Å; F110-H114 PolarHBondContact O-ND1 3.4Å; F110-W121 AromaticContact CE1-CH2 3.9Å; F110-W121 HydrophobicContact CE1-CH2 3.9Å; F110-W121 HydrophobicContact CE1-CZ2 4.44Å; F110-W121 HydrophobicContact CZ-CH2 4.49Å |
| 111 | V | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L46 L107 V108 K113 H114 V115 W121 V126 L128 Y666 | L46-V111 HydrophobicContact CD1-CG2 3.96Å; L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 3Å; V108-V111 PolarHBondContact O-N 3.02Å; V111-K113 PolarHBondContact O-N 2.8Å; V111-H114 PolarHBondContact O-N 2.98Å; V111-V115 HydrophobicContact CG1-CG2 3.89Å; V111-V115 WeakPolarHBondContact O-CB 3.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.31Å; V111-V115 PolarHBondContact O-N 2.88Å; V111-W121 HydrophobicContact CG2-CZ3 4.4Å; V111-V126 HydrophobicContact CG1-CG1 3.89Å; V111-L128 HydrophobicContact CG2-CD2 4.27Å; V111-Y666 HydrophobicContact CB-CE2 4.46Å; V111-Y666 HydrophobicContact CG1-CD2 3.74Å; V111-Y666 HydrophobicContact CG1-CE1 4.45Å; V111-Y666 HydrophobicContact CG1-CE2 3.59Å; V111-Y666 HydrophobicContact CG1-CG 4.25Å |
| 112 | E | 91.2 | Very high | 87.8 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -36.1 | 173.3 | -78.7 | -154.7 | 140.6 | 0 | 0 | 112.2 | V108 N116 Y666 K675 | V108-E112 WeakPolarHBondContact O-CB 3.49Å; V108-E112 PolarHBondContact O-N 2.96Å; E112-N116 WeakPolarHBondContact O-CB 3.44Å; E112-N116 PolarHBondContact O-N 2.63Å; E112-N116 PolarHBondContact O-ND2 3.45Å; E112-Y666 HydrophobicContact CG-CE1 3.81Å; E112-K675 VanDerWaalsContact OE1-CE 3.32Å; E112-K675 WeakPolarHBondContact OE1-CE 3.21Å; E112-K675 IonicContact OE1-NZ 2.64Å; E112-K675 PolarHBondContact OE1-NZ 2.97Å; E112-K675 IonicContact OE2-NZ 2.65Å |
| 113 | K | 88.2 | Confident | 87.1 | Confident | 104 Ų | 104 | 46.1 Ų | 46.1 | 45% | 0.452 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 174.9 | -173.6 | -179.8 | 178 | -175.9 | 0 | 111.2 | T109 F110 V111 H117 | T109-K113 WeakPolarHBondContact O-CB 3.44Å; T109-K113 PolarHBondContact O-N 3.32Å; F110-K113 PolarHBondContact O-N 3.34Å; V111-K113 PolarHBondContact O-N 2.8Å; K113-H117 WeakPolarHBondContact O-CB 3.3Å; K113-H117 PolarHBondContact O-N 3.38Å; K113-H117 PolarHBondContact O-ND1 2.62Å |
| 114 | H | 87.1 | Confident | 86.7 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -50.5 | -175.9 | -68.8 | 84 | 0 | 0 | 0 | 112.2 | F110 V111 N116 H117 D118 W121 | F110-H114 AromaticContact CD2-CE1 3.52Å; F110-H114 AromaticContact CD2-ND1 3.79Å; F110-H114 AromaticContact CE2-CE1 3.2Å; F110-H114 WeakPolarHBondContact CE2-CE1 3.29Å; F110-H114 AromaticContact CE2-ND1 3.7Å; F110-H114 AromaticContact CZ-CE1 3.68Å; F110-H114 AromaticContact CZ-ND1 3.86Å; F110-H114 PolarHBondContact O-N 3.29Å; F110-H114 VanDerWaalsContact O-N 3.1Å; F110-H114 PolarHBondContact O-ND1 3.4Å; V111-H114 PolarHBondContact O-N 2.98Å; H114-N116 PolarHBondContact O-N 2.77Å; H114-H117 PolarHBondContact O-N 2.82Å; H114-D118 HydrophobicContact CB-CB 4.37Å; H114-D118 IonicContact CD2-OD2 2.77Å; H114-D118 WeakPolarHBondContact O-CA 3.43Å; H114-D118 WeakPolarHBondContact O-CB 3.46Å; H114-D118 PolarHBondContact O-N 3.03Å; H114-W121 HydrophobicContact CB-CB 4.32Å; H114-W121 HydrophobicContact CB-CD2 3.46Å; H114-W121 VanDerWaalsContact CB-CD2 3.46Å; H114-W121 HydrophobicContact CB-CE3 3.71Å; H114-W121 HydrophobicContact CB-CG 3.75Å; H114-W121 HydrophobicContact CB-CH2 4.46Å; H114-W121 HydrophobicContact CB-CZ2 4.26Å; H114-W121 HydrophobicContact CB-CZ3 4.21Å |
| 115 | V | 87 | Confident | 86.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -26 | -179.4 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | V111 W121 Q122 V126 Y666 S676 | V111-V115 HydrophobicContact CG1-CG2 3.89Å; V111-V115 WeakPolarHBondContact O-CB 3.32Å; V111-V115 WeakPolarHBondContact O-CG2 3.31Å; V111-V115 PolarHBondContact O-N 2.88Å; V115-W121 HydrophobicContact CG2-CB 4.42Å; V115-W121 HydrophobicContact CG2-CE3 3.97Å; V115-Q122 WeakPolarHBondContact O-CG 3.39Å; V115-V126 HydrophobicContact CG2-CB 4.17Å; V115-V126 HydrophobicContact CG2-CG2 3.95Å; V115-Y666 HydrophobicContact CG2-CG 4.48Å; V115-S676 VanDerWaalsContact CG1-CB 3.49Å |
| 116 | N | 83.3 | Confident | 86.6 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -94.9 | -15.8 | 177.9 | -61.6 | -50 | 0 | 0 | 0 | 114.8 | E112 H114 Q122 K675 S676 | E112-N116 WeakPolarHBondContact O-CB 3.44Å; E112-N116 PolarHBondContact O-N 2.63Å; E112-N116 PolarHBondContact O-ND2 3.45Å; H114-N116 PolarHBondContact O-N 2.77Å; N116-Q122 PolarHBondContact O-NE2 2.88Å; N116-K675 VanDerWaalsContact OD1-CA 3.27Å; N116-K675 WeakPolarHBondContact OD1-CA 3.34Å; N116-K675 WeakPolarHBondContact OD1-CG 3.49Å; N116-S676 PolarHBondContact OD1-N 2.85Å |
| 117 | H | 76.2 | Confident | 86.7 | Confident | 111 Ų | 111 | 37.2 Ų | 37.2 | 51% | 0.514 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -127.9 | -13.3 | -174.2 | -56.3 | 84.9 | 0 | 0 | 0 | 115.4 | K113 H114 P1561 | K113-H117 WeakPolarHBondContact O-CB 3.3Å; K113-H117 PolarHBondContact O-N 3.38Å; K113-H117 PolarHBondContact O-ND1 2.62Å; H114-H117 PolarHBondContact O-N 2.82Å; H117-P1561 HydrophobicContact CB-CG 4.34Å |
| 118 | D | 71.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 37 Ų | 37 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | trans | -109.1 | 120.3 | -179.4 | -170.8 | -29.9 | 0 | 0 | 0 | 109.4 | H114 D120 W121 Q122 | H114-D118 HydrophobicContact CB-CB 4.37Å; H114-D118 IonicContact CD2-OD2 2.77Å; H114-D118 WeakPolarHBondContact O-CA 3.43Å; H114-D118 WeakPolarHBondContact O-CB 3.46Å; H114-D118 PolarHBondContact O-N 3.03Å; D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.86Å; D118-D120 PolarHBondContact OD1-N 3Å; D118-W121 HydrophobicContact CB-CB 4.22Å; D118-W121 HydrophobicContact CB-CG 4.25Å; D118-W121 VanDerWaalsContact CG-CD1 3.46Å; D118-W121 PolarHBondContact O-N 3.44Å; D118-Q122 WeakPolarHBondContact O-CG 3.43Å; D118-Q122 PolarHBondContact O-N 3.15Å | ||
| 119 | A | 71.9 | Confident | 86.8 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.3 | -31.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W121 Q122 C123 I671 | A119-W121 VanDerWaalsContact C-N 3.26Å; A119-W121 PolarHBondContact O-N 3.23Å; A119-Q122 PolarHBondContact O-N 2.88Å; A119-C123 PolarHBondContact O-N 3.38Å; A119-I671 HydrophobicContact CB-CD1 4.49Å |
| 120 | D | 72.9 | Confident | 86.9 | Confident | 91 Ų | 91 | 31.5 Ų | 31.5 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71 | -26.3 | 177.9 | -76.5 | 2.3 | 0 | 0 | 0 | 110.7 | F35 D118 | F35-D120 HydrophobicContact CE1-CB 4.07Å; F35-D120 HydrophobicContact CZ-CB 4.48Å; D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.86Å; D118-D120 PolarHBondContact OD1-N 3Å |
| 121 | W | 84.6 | Confident | 87 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -85.4 | -31.4 | 172.7 | -70.1 | 63.9 | 0 | 0 | 0 | 113.1 | I31 F35 F44 F110 V111 H114 V115 D118 A119 C123 I124 V126 | I31-W121 HydrophobicContact CG2-CH2 4.28Å; F35-W121 HydrophobicContact CB-CZ2 4.25Å; F35-W121 HydrophobicContact CD1-CZ2 4.4Å; F35-W121 AromaticContact CD1-NE1 3.38Å; F35-W121 AromaticContact CD2-CE2 3.85Å; F35-W121 AromaticContact CD2-CZ2 3.86Å; F35-W121 HydrophobicContact CD2-CZ2 3.86Å; F35-W121 AromaticContact CE1-CD1 3.47Å; F35-W121 VanDerWaalsContact CE1-CD1 3.47Å; F35-W121 HydrophobicContact CE1-CG 4.31Å; F35-W121 AromaticContact CE1-NE1 3.27Å; F35-W121 VanDerWaalsContact CE1-NE1 3.27Å; F35-W121 HydrophobicContact CE2-CD2 4.15Å; F35-W121 AromaticContact CE2-CE2 3.89Å; F35-W121 HydrophobicContact CE2-CG 4.36Å; F35-W121 HydrophobicContact CE2-CZ2 4.32Å; F35-W121 AromaticContact CE2-NE1 3.93Å; F35-W121 AromaticContact CG-CE2 3.91Å; F35-W121 AromaticContact CG-CZ2 3.9Å; F35-W121 HydrophobicContact CG-CZ2 3.9Å; F35-W121 AromaticContact CG-NE1 3.76Å; F35-W121 AromaticContact CZ-CD1 3.56Å; F35-W121 HydrophobicContact CZ-CD2 4.21Å; F35-W121 AromaticContact CZ-CE2 4Å; F35-W121 AromaticContact CZ-CG 3.96Å; F35-W121 HydrophobicContact CZ-CG 3.96Å; F35-W121 AromaticContact CZ-NE1 3.57Å; F44-W121 HydrophobicContact CD1-CH2 4.09Å; F44-W121 HydrophobicContact CD1-CZ3 4.11Å; F44-W121 AromaticContact CE1-CH2 3.67Å; F44-W121 HydrophobicContact CE1-CH2 3.67Å; F44-W121 HydrophobicContact CE1-CZ2 4.24Å; F44-W121 HydrophobicContact CE1-CZ3 4.14Å; F110-W121 AromaticContact CE1-CH2 3.9Å; F110-W121 HydrophobicContact CE1-CH2 3.9Å; F110-W121 HydrophobicContact CE1-CZ2 4.44Å; F110-W121 HydrophobicContact CZ-CH2 4.49Å; V111-W121 HydrophobicContact CG2-CZ3 4.4Å; H114-W121 HydrophobicContact CB-CB 4.32Å; H114-W121 HydrophobicContact CB-CD2 3.46Å; H114-W121 VanDerWaalsContact CB-CD2 3.46Å; H114-W121 HydrophobicContact CB-CE3 3.71Å; H114-W121 HydrophobicContact CB-CG 3.75Å; H114-W121 HydrophobicContact CB-CH2 4.46Å; H114-W121 HydrophobicContact CB-CZ2 4.26Å; H114-W121 HydrophobicContact CB-CZ3 4.21Å; V115-W121 HydrophobicContact CG2-CB 4.42Å; V115-W121 HydrophobicContact CG2-CE3 3.97Å; D118-W121 HydrophobicContact CB-CB 4.22Å; D118-W121 HydrophobicContact CB-CG 4.25Å; D118-W121 VanDerWaalsContact CG-CD1 3.46Å; D118-W121 PolarHBondContact O-N 3.44Å; A119-W121 VanDerWaalsContact C-N 3.26Å; A119-W121 PolarHBondContact O-N 3.23Å; W121-C123 VanDerWaalsContact C-N 3.28Å; W121-C123 PolarHBondContact O-N 3.02Å; W121-I124 WeakPolarHBondContact O-CG1 3.42Å; W121-V126 HydrophobicContact CE3-CG1 4.41Å; W121-V126 HydrophobicContact CE3-CG2 4.06Å; W121-V126 HydrophobicContact CZ3-CG1 4.18Å |
| 122 | Q | 81.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 31.3 Ų | 31.3 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | 175.8 | -79.2 | 177.5 | 13.6 | 0 | 0 | 112.2 | V115 N116 D118 A119 I124 A668 C669 | V115-Q122 WeakPolarHBondContact O-CG 3.39Å; N116-Q122 PolarHBondContact O-NE2 2.88Å; D118-Q122 WeakPolarHBondContact O-CG 3.43Å; D118-Q122 PolarHBondContact O-N 3.15Å; A119-Q122 PolarHBondContact O-N 2.88Å; Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 2.97Å; Q122-A668 WeakPolarHBondContact O-CA 3.32Å; Q122-C669 PolarHBondContact O-N 2.85Å; Q122-C669 VanDerWaalsContact O-O 3.13Å |
| 123 | C | 79.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 28.5 Ų | 28.5 | 47% | 0.473 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 9.3 | -173.5 | -68.1 | 0 | 0 | 0 | 0 | 115.5 | A119 W121 | A119-C123 PolarHBondContact O-N 3.38Å; W121-C123 VanDerWaalsContact C-N 3.28Å; W121-C123 PolarHBondContact O-N 3.02Å |
| 124 | I | 88.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -134.8 | 160.6 | -178.6 | 60.3 | 165.6 | 0 | 0 | 0 | 112.5 | F35 P40 F44 W121 Q122 V126 A668 | F35-I124 HydrophobicContact CE2-CD1 3.52Å; F35-I124 HydrophobicContact CZ-CD1 3.78Å; P40-I124 HydrophobicContact CG-CD1 4.23Å; F44-I124 HydrophobicContact CB-CD1 3.92Å; W121-I124 WeakPolarHBondContact O-CG1 3.42Å; Q122-I124 VanDerWaalsContact C-N 3.29Å; Q122-I124 PolarHBondContact O-N 2.97Å; I124-V126 HydrophobicContact CD1-CG2 3.98Å; I124-V126 HydrophobicContact CG1-CG2 3.97Å; I124-A668 WeakPolarHBondContact O-CA 3.28Å; I124-A668 PolarHBondContact O-N 3.4Å |
| 125 | D | 92.6 | Very high | 88 | Confident | 42 Ų | 42 | 22.6 Ų | 22.6 | 23% | 0.225 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.5 | 170.5 | -78.4 | -23.8 | 0 | 0 | 0 | 110.2 | K42 T43 F44 F665 R667 A668 | K42-D125 WeakPolarHBondContact O-CB 3.39Å; K42-D125 PolarHBondContact O-N 3.45Å; T43-D125 CarbonylContact C-O 3.57Å; T43-D125 VanDerWaalsContact CA-O 3.22Å; T43-D125 WeakPolarHBondContact CA-O 3.37Å; T43-D125 HydrophobicContact CG2-CB 4.48Å; F44-D125 PolarHBondContact N-O 3.42Å; D125-F665 HydrophobicContact CB-CE2 3.72Å; D125-F665 HydrophobicContact CB-CZ 4.33Å; D125-R667 WeakPolarHBondContact OD1-CA 3.4Å; D125-A668 PolarHBondContact OD1-N 2.97Å |
| 126 | V | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.9 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | F44 V111 V115 W121 I124 Y666 | F44-V126 HydrophobicContact CB-CG2 4.47Å; F44-V126 HydrophobicContact CD1-CG1 4.3Å; F44-V126 WeakPolarHBondContact O-CA 3.49Å; V111-V126 HydrophobicContact CG1-CG1 3.89Å; V115-V126 HydrophobicContact CG2-CB 4.17Å; V115-V126 HydrophobicContact CG2-CG2 3.95Å; W121-V126 HydrophobicContact CE3-CG1 4.41Å; W121-V126 HydrophobicContact CE3-CG2 4.06Å; W121-V126 HydrophobicContact CZ3-CG1 4.18Å; I124-V126 HydrophobicContact CD1-CG2 3.98Å; I124-V126 HydrophobicContact CG1-CG2 3.97Å; V126-Y666 PolarHBondContact N-O 3.17Å; V126-Y666 PolarHBondContact O-N 3.29Å |
| 127 | I | 96.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.5 | -179.7 | -61.2 | 164.9 | 0 | 0 | 0 | 108.6 | T43 F44 F45 L46 Y144 L664 F665 | T43-I127 HydrophobicContact CG2-CD1 4.24Å; F44-I127 PolarHBondContact O-N 2.9Å; F45-I127 HydrophobicContact CD2-CB 3.76Å; F45-I127 HydrophobicContact CD2-CD1 3.88Å; F45-I127 HydrophobicContact CD2-CG1 4.42Å; F45-I127 HydrophobicContact CD2-CG2 3.76Å; F45-I127 HydrophobicContact CE2-CB 4.09Å; F45-I127 HydrophobicContact CE2-CD1 4.17Å; F45-I127 HydrophobicContact CE2-CG2 3.55Å; F45-I127 HydrophobicContact CG-CB 4.35Å; F45-I127 HydrophobicContact CG-CG2 4.48Å; F45-I127 HydrophobicContact CZ-CG2 4.12Å; L46-I127 PolarHBondContact N-O 2.99Å; I127-Y144 HydrophobicContact CD1-CD2 4.05Å; I127-Y144 HydrophobicContact CD1-CE1 4.43Å; I127-Y144 HydrophobicContact CD1-CE2 3.37Å; I127-L664 WeakPolarHBondContact CA-O 3.41Å; I127-F665 HydrophobicContact CD1-CD2 4.32Å; I127-F665 HydrophobicContact CG1-CB 4.5Å; I127-F665 HydrophobicContact CG1-CD2 3.61Å; I127-F665 HydrophobicContact CG1-CE2 4.19Å; I127-F665 HydrophobicContact CG1-CG 4.29Å |
| 128 | L | 97.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.9 | 172.9 | 176 | 58.5 | 0 | 0 | 0 | 109.3 | L46 L107 V108 V111 L664 | L46-L128 HydrophobicContact CB-CD1 3.83Å; L46-L128 HydrophobicContact CD1-CD1 4.46Å; L107-L128 HydrophobicContact CB-CD2 4.26Å; V108-L128 HydrophobicContact CG2-CD2 3.84Å; V111-L128 HydrophobicContact CG2-CD2 4.27Å; L128-L664 HydrophobicContact CB-CB 4.36Å; L128-L664 HydrophobicContact CD2-CD1 4.36Å; L128-L664 PolarHBondContact N-O 2.87Å; L128-L664 PolarHBondContact O-N 2.96Å |
| 129 | S | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 97.8 | 174.6 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | L46 V48 K140 H663 | L46-S129 PolarHBondContact O-N 3.12Å; V48-S129 PolarHBondContact N-O 2.86Å; S129-K140 WeakPolarHBondContact OG-CD 3.35Å; S129-H663 WeakPolarHBondContact CA-CE1 3.34Å; S129-H663 WeakPolarHBondContact CB-CE1 3.39Å; S129-H663 WeakPolarHBondContact CB-ND1 3.1Å; S129-H663 PolarHBondContact OG-CE1 3.33Å; S129-H663 PolarHBondContact OG-ND1 2.87Å; S129-H663 PolarHBondContact OG-NE2 3.32Å |
| 130 | G | 95.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | trans | -78.5 | -174.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D132 C133 K140 | G130-D132 WeakPolarHBondContact CA-OD1 3.39Å; G130-D132 PolarHBondContact O-N 3.02Å; G130-D132 VanDerWaalsContact O-N 3.15Å; G130-C133 PolarHBondContact O-N 3.29Å; G130-K140 PolarHBondContact O-NZ 3.47Å | ||
| 131 | H | 96.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8.5 | 177.5 | 73 | 71 | 0 | 0 | 0 | 114.1 | V48 D49 G50 M100 E101 | V48-H131 HydrophobicContact CG1-CB 4.09Å; D49-H131 VanDerWaalsContact O-CA 3.3Å; D49-H131 WeakPolarHBondContact O-CA 3.31Å; D49-H131 WeakPolarHBondContact O-CB 3.37Å; G50-H131 VanDerWaalsContact CA-O 3.26Å; G50-H131 WeakPolarHBondContact CA-O 3.34Å; M100-H131 HydrophobicContact CE-CB 4.02Å; M100-H131 PolarHBondContact O-CD2 3.09Å; M100-H131 PolarHBondContact O-NE2 2.55Å; M100-H131 VanDerWaalsContact O-NE2 3.16Å; E101-H131 PolarHBondContact N-NE2 2.95Å |
| 132 | D | 94.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 12.3 Ų | 12.3 | 4% | 0.037 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -15.3 | -175.6 | 49.9 | -44.3 | 0 | 0 | 0 | 112.1 | H104 G130 H660 K661 | H104-D132 VanDerWaalsContact CE1-CG 3.42Å; H104-D132 IonicContact CE1-OD1 3.52Å; H104-D132 PolarHBondContact CE1-OD1 3.38Å; H104-D132 IonicContact CE1-OD2 3.97Å; H104-D132 PolarHBondContact CE1-OD2 2.9Å; H104-D132 IonicContact ND1-OD1 2.83Å; H104-D132 PolarHBondContact ND1-OD1 2.74Å; H104-D132 IonicContact ND1-OD2 2.82Å; H104-D132 PolarHBondContact ND1-OD2 2.8Å; H104-D132 IonicContact NE2-OD2 2.76Å; G130-D132 WeakPolarHBondContact CA-OD1 3.39Å; G130-D132 PolarHBondContact O-N 3.02Å; G130-D132 VanDerWaalsContact O-N 3.15Å; D132-H660 CarbonylContact O-C 3.52Å; D132-H660 WeakPolarHBondContact O-CA 3.28Å; D132-K661 HydrophobicContact CB-CB 4.01Å; D132-K661 HydrophobicContact CB-CD 3.97Å; D132-K661 HydrophobicContact CB-CG 4Å; D132-K661 PolarHBondContact O-N 3.14Å; D132-K661 WeakPolarHBondContact OD2-CB 3.44Å; D132-K661 WeakPolarHBondContact OD2-CD 3.31Å |
| 133 | C | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -87.8 | 131.2 | 160.5 | -43.3 | 0 | 0 | 0 | 0 | 109.1 | G50 G130 K140 K661 H663 H683 | G50-C133 WeakPolarHBondContact CA-O 3.27Å; G130-C133 PolarHBondContact O-N 3.29Å; C133-K140 WeakPolarHBondContact O-CE 3.33Å; C133-K140 PolarHBondContact O-NZ 2.95Å; C133-K661 PolarHBondContact SG-O 2.86Å; C133-H663 VanDerWaalsContact SG-CE1 3.59Å; C133-H683 HydrophobicContact CB-CB 4.16Å |
| 134 | P | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -62.4 | 159.1 | 173.7 | -27.1 | 37.6 | 0 | 0 | 0 | 114.8 | K140 W528 P572 H660 | P134-K140 WeakPolarHBondContact O-CE 3.13Å; P134-W528 HydrophobicContact CB-CH2 4.49Å; P134-P572 HydrophobicContact CB-CB 3.61Å; P134-P572 HydrophobicContact CB-CG 3.62Å; P134-P572 HydrophobicContact CG-CB 3.89Å; P134-P572 HydrophobicContact CG-CG 3.61Å; P134-H660 HydrophobicContact CG-CB 4.09Å |
| 135 | G | 94 | Very high | 94.1 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | S | Bend | trans | 103.2 | 161.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G50 V51 K140 | G50-G135 PolarHBondContact N-O 3.41Å; V51-G135 PolarHBondContact O-N 2.68Å; G135-K140 WeakPolarHBondContact O-CE 3.29Å |
| 136 | E | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 8.2 Ų | 8.2 | 4% | 0.042 | 4% | 0.042 | C | C | . | . | trans | -79.9 | 150.7 | 169.5 | -55.5 | -161.4 | -95.7 | 0 | 0 | 110.3 | A52 K56 E138 H139 K140 Y520 | A52-E136 HydrophobicContact CB-CG 3.91Å; K56-E136 WeakPolarHBondContact CD-OE1 3.38Å; K56-E136 VanDerWaalsContact CE-OE1 3.26Å; K56-E136 WeakPolarHBondContact CE-OE1 3.29Å; K56-E136 WeakPolarHBondContact CE-OE2 3.5Å; K56-E136 WeakPolarHBondContact CG-OE1 3.24Å; K56-E136 WeakPolarHBondContact CG-OE2 3.5Å; K56-E136 IonicContact NZ-OE1 3.82Å; K56-E136 PolarHBondContact NZ-OE1 3.13Å; K56-E136 IonicContact NZ-OE2 3.97Å; K56-E136 PolarHBondContact NZ-OE2 2.87Å; E136-E138 HydrophobicContact CB-CG 4.39Å; E136-E138 PolarHBondContact O-N 3.48Å; E136-H139 PolarHBondContact O-N 2.96Å; E136-H139 VanDerWaalsContact O-N 3.12Å; E136-K140 WeakPolarHBondContact O-CG 3.31Å; E136-K140 PolarHBondContact O-N 2.82Å; E136-Y520 PolarHBondContact OE1-OH 2.94Å; E136-Y520 VanDerWaalsContact OE1-OH 3.08Å | ||
| 137 | G | 93.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 4% | 0.041 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.5 | -34.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A47 D49 I141 | A47-G137 VanDerWaalsContact CB-O 3.25Å; A47-G137 WeakPolarHBondContact CB-O 3.33Å; D49-G137 WeakPolarHBondContact OD1-CA 3.22Å; D49-G137 PolarHBondContact OD1-N 3.28Å; G137-I141 WeakPolarHBondContact O-CD1 3.44Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.38Å |
| 138 | E | 92.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 12 Ų | 12 | 12% | 0.121 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.8 | -47.7 | 174.4 | 68.8 | -164.3 | 173 | 0 | 0 | 112.4 | E136 K140 I141 R142 L169 L172 | E136-E138 HydrophobicContact CB-CG 4.39Å; E136-E138 PolarHBondContact O-N 3.48Å; E138-K140 VanDerWaalsContact C-N 3.29Å; E138-K140 PolarHBondContact O-N 2.84Å; E138-I141 WeakPolarHBondContact O-CB 3.37Å; E138-I141 PolarHBondContact O-N 2.76Å; E138-I141 VanDerWaalsContact O-N 3.09Å; E138-R142 PolarHBondContact O-N 2.88Å; E138-L169 HydrophobicContact CB-CD2 3.67Å; E138-L172 HydrophobicContact CB-CD2 3.71Å; E138-L172 HydrophobicContact CG-CD2 4.14Å |
| 139 | H | 91.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.3 | -32.9 | 179.9 | -170.1 | -80.2 | 0 | 0 | 0 | 111.3 | E136 R142 E143 Y520 | E136-H139 PolarHBondContact O-N 2.96Å; E136-H139 VanDerWaalsContact O-N 3.12Å; H139-R142 PolarHBondContact O-N 3.2Å; H139-E143 IonicContact CE1-OE1 3.46Å; H139-E143 PolarHBondContact CE1-OE1 3.33Å; H139-E143 IonicContact ND1-OE1 3.83Å; H139-E143 PolarHBondContact ND1-OE1 3.49Å; H139-E143 WeakPolarHBondContact O-CB 3.06Å; H139-E143 WeakPolarHBondContact O-CG 3.43Å; H139-E143 PolarHBondContact O-N 3.18Å; H139-Y520 HydrophobicContact CB-CE1 4.49Å; H139-Y520 HydrophobicContact CB-CE2 4.27Å; H139-Y520 AromaticContact CD2-CD2 3.64Å; H139-Y520 AromaticContact CD2-CE1 3.91Å; H139-Y520 AromaticContact CD2-CE2 3.44Å; H139-Y520 VanDerWaalsContact CD2-CE2 3.44Å; H139-Y520 WeakPolarHBondContact CD2-CE2 3.38Å; H139-Y520 AromaticContact CD2-CG 3.93Å; H139-Y520 AromaticContact CD2-CZ 3.6Å; H139-Y520 PolarHBondContact CD2-O 2.94Å; H139-Y520 VanDerWaalsContact CD2-O 3.26Å; H139-Y520 AromaticContact CG-CE2 3.94Å; H139-Y520 AromaticContact CG-CZ 3.97Å; H139-Y520 AromaticContact NE2-CD2 3.97Å; H139-Y520 PolarHBondContact NE2-O 3.32Å |
| 140 | K | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 171.6 | -65 | 177.9 | -170.6 | 178 | 0 | 112.9 | F45 V48 S129 G130 C133 P134 G135 E136 E138 Y144 | F45-K140 HydrophobicContact CE1-CB 4.47Å; V48-K140 PolarHBondContact O-NZ 3.08Å; S129-K140 WeakPolarHBondContact OG-CD 3.35Å; G130-K140 PolarHBondContact O-NZ 3.47Å; C133-K140 WeakPolarHBondContact O-CE 3.33Å; C133-K140 PolarHBondContact O-NZ 2.95Å; P134-K140 WeakPolarHBondContact O-CE 3.13Å; G135-K140 WeakPolarHBondContact O-CE 3.29Å; E136-K140 WeakPolarHBondContact O-CG 3.31Å; E136-K140 PolarHBondContact O-N 2.82Å; E138-K140 VanDerWaalsContact C-N 3.29Å; E138-K140 PolarHBondContact O-N 2.84Å; K140-Y144 PolarHBondContact O-N 3.31Å; K140-Y144 VanDerWaalsContact O-N 3.12Å |
| 141 | I | 93.8 | Very high | 91.1 | Very high | 40 Ų | 40 | 17.6 Ų | 17.6 | 21% | 0.205 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.9 | -69.2 | 163.2 | 0 | 0 | 0 | 109.6 | F45 A47 G137 E138 Y144 M145 | F45-I141 HydrophobicContact CD1-CG1 3.71Å; F45-I141 HydrophobicContact CE1-CG1 3.94Å; A47-I141 HydrophobicContact CB-CD1 3.94Å; A47-I141 HydrophobicContact CB-CG1 3.92Å; G137-I141 WeakPolarHBondContact O-CD1 3.44Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.38Å; E138-I141 WeakPolarHBondContact O-CB 3.37Å; E138-I141 PolarHBondContact O-N 2.76Å; E138-I141 VanDerWaalsContact O-N 3.09Å; I141-Y144 WeakPolarHBondContact O-CB 3.44Å; I141-Y144 PolarHBondContact O-N 3.33Å; I141-M145 HydrophobicContact CG2-SD 4.19Å; I141-M145 WeakPolarHBondContact O-CG 3.5Å; I141-M145 PolarHBondContact O-N 3.42Å |
| 142 | R | 90.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 24 Ų | 24 | 5% | 0.053 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.5 | -36.9 | 179.8 | -179.1 | -108 | 165.1 | -121.9 | -15.5 | 113.2 | E138 H139 Y144 M145 A146 L172 T176 Y521 F522 L523 | E138-R142 PolarHBondContact O-N 2.88Å; H139-R142 PolarHBondContact O-N 3.2Å; R142-Y144 VanDerWaalsContact C-N 3.34Å; R142-M145 PolarHBondContact O-N 2.74Å; R142-A146 WeakPolarHBondContact O-CB 3.13Å; R142-A146 PolarHBondContact O-N 2.91Å; R142-L172 HydrophobicContact CB-CD1 3.82Å; R142-L172 HydrophobicContact CB-CD2 4Å; R142-L172 HydrophobicContact CB-CG 3.96Å; R142-L172 HydrophobicContact CG-CD1 3.59Å; R142-L172 HydrophobicContact CG-CG 4.04Å; R142-T176 HydrophobicContact CG-CG2 4.46Å; R142-Y521 PolarHBondContact NE-O 3.06Å; R142-F522 PolarHBondContact NH2-O 2.66Å; R142-L523 PolarHBondContact NH1-O 2.85Å; R142-L523 PolarHBondContact NH2-O 3.32Å |
| 143 | E | 90.9 | Very high | 90 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 167.6 | -79.7 | 175.3 | -177.3 | 0 | 0 | 112 | H139 Y147 R687 | H139-E143 IonicContact CE1-OE1 3.46Å; H139-E143 PolarHBondContact CE1-OE1 3.33Å; H139-E143 IonicContact ND1-OE1 3.83Å; H139-E143 PolarHBondContact ND1-OE1 3.49Å; H139-E143 WeakPolarHBondContact O-CB 3.06Å; H139-E143 WeakPolarHBondContact O-CG 3.43Å; H139-E143 PolarHBondContact O-N 3.18Å; E143-Y147 WeakPolarHBondContact O-CB 3.35Å; E143-Y147 PolarHBondContact O-N 2.83Å; E143-R687 VanDerWaalsContact CD-NH2 3.34Å; E143-R687 HydrophobicContact CG-CB 4.42Å; E143-R687 IonicContact OE1-CZ 2.61Å; E143-R687 IonicContact OE1-NE 2.98Å; E143-R687 PolarHBondContact OE1-NE 2.81Å; E143-R687 IonicContact OE1-NH2 2.68Å; E143-R687 PolarHBondContact OE1-NH2 2.84Å; E143-R687 IonicContact OE2-CZ 3.34Å; E143-R687 IonicContact OE2-NE 3.8Å; E143-R687 IonicContact OE2-NH2 2.67Å; E143-R687 PolarHBondContact OE2-NH2 2.91Å |
| 144 | Y | 92.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.6 | 176.3 | -100.3 | 0 | 0 | 0 | 112.5 | T43 F45 I127 K140 I141 R142 Y147 R148 Y686 | T43-Y144 HydrophobicContact CG2-CE1 4.16Å; F45-Y144 AromaticContact CD2-CD1 3.79Å; F45-Y144 HydrophobicContact CD2-CD1 3.79Å; F45-Y144 HydrophobicContact CD2-CD2 4.2Å; F45-Y144 HydrophobicContact CD2-CE1 4.23Å; F45-Y144 AromaticContact CD2-CG 3.77Å; F45-Y144 HydrophobicContact CD2-CG 3.77Å; F45-Y144 HydrophobicContact CE2-CD1 4.01Å; F45-Y144 AromaticContact CE2-CD2 3.78Å; F45-Y144 HydrophobicContact CE2-CD2 3.78Å; F45-Y144 AromaticContact CE2-CG 3.48Å; F45-Y144 HydrophobicContact CE2-CG 3.48Å; F45-Y144 VanDerWaalsContact CE2-CG 3.48Å; F45-Y144 HydrophobicContact CZ-CG 4.46Å; I127-Y144 HydrophobicContact CD1-CD2 4.05Å; I127-Y144 HydrophobicContact CD1-CE1 4.43Å; I127-Y144 HydrophobicContact CD1-CE2 3.37Å; K140-Y144 PolarHBondContact O-N 3.31Å; K140-Y144 VanDerWaalsContact O-N 3.12Å; I141-Y144 WeakPolarHBondContact O-CB 3.44Å; I141-Y144 PolarHBondContact O-N 3.33Å; R142-Y144 VanDerWaalsContact C-N 3.34Å; Y144-Y147 HydrophobicContact CD2-CD1 4.3Å; Y144-Y147 HydrophobicContact CE2-CD1 4.42Å; Y144-R148 HydrophobicContact CD1-CG 4.26Å; Y144-R148 HydrophobicContact CE1-CG 3.69Å; Y144-R148 HydrophobicContact CE2-CG 4.11Å; Y144-R148 WeakPolarHBondContact O-CB 3.13Å; Y144-R148 WeakPolarHBondContact O-CG 3.07Å; Y144-R148 PolarHBondContact O-N 3.27Å; Y144-Y686 HydrophobicContact CD2-CD1 4.05Å; Y144-Y686 AromaticContact CD2-CE1 3.64Å; Y144-Y686 HydrophobicContact CD2-CE1 3.64Å; Y144-Y686 HydrophobicContact CD2-CE2 4.16Å; Y144-Y686 HydrophobicContact CD2-CG 4.5Å; Y144-Y686 AromaticContact CD2-CZ 3.68Å; Y144-Y686 HydrophobicContact CE2-CE1 4.06Å |
| 145 | M | 90.6 | Very high | 88.8 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 175.2 | -70.9 | -179.6 | 66.1 | 0 | 0 | 111.3 | I141 R142 Y147 R148 H149 I162 T176 E178 I181 | I141-M145 HydrophobicContact CG2-SD 4.19Å; I141-M145 WeakPolarHBondContact O-CG 3.5Å; I141-M145 PolarHBondContact O-N 3.42Å; R142-M145 PolarHBondContact O-N 2.74Å; M145-Y147 VanDerWaalsContact C-N 3.29Å; M145-Y147 PolarHBondContact O-N 2.86Å; M145-R148 CarbonylContact O-C 3.55Å; M145-R148 WeakPolarHBondContact O-CA 3.39Å; M145-R148 WeakPolarHBondContact O-CB 3.46Å; M145-R148 PolarHBondContact O-N 3.24Å; M145-H149 PolarHBondContact O-CD2 2.98Å; M145-H149 PolarHBondContact O-N 2.83Å; M145-I162 HydrophobicContact SD-CD1 4.48Å; M145-T176 HydrophobicContact CE-CG2 3.97Å; M145-T176 HydrophobicContact SD-CG2 4.42Å; M145-E178 HydrophobicContact CE-CG 4.26Å; M145-I181 HydrophobicContact CE-CD1 3.9Å |
| 146 | A | 87.3 | Confident | 88.1 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R142 R148 H149 S150 V690 | R142-A146 WeakPolarHBondContact O-CB 3.13Å; R142-A146 PolarHBondContact O-N 2.91Å; A146-R148 PolarHBondContact O-N 2.86Å; A146-H149 PolarHBondContact O-N 3.29Å; A146-S150 PolarHBondContact O-N 2.87Å; A146-V690 HydrophobicContact CB-CG1 3.87Å; A146-V690 HydrophobicContact CB-CG2 3.82Å |
| 147 | Y | 89.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 18% | 0.18 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 171 | 165.3 | -105.1 | 0 | 0 | 0 | 113 | E143 Y144 M145 H149 S150 L151 F685 Y686 | E143-Y147 WeakPolarHBondContact O-CB 3.35Å; E143-Y147 PolarHBondContact O-N 2.83Å; Y144-Y147 HydrophobicContact CD2-CD1 4.3Å; Y144-Y147 HydrophobicContact CE2-CD1 4.42Å; M145-Y147 VanDerWaalsContact C-N 3.29Å; M145-Y147 PolarHBondContact O-N 2.86Å; Y147-H149 VanDerWaalsContact C-N 3.27Å; Y147-H149 PolarHBondContact O-N 3.1Å; Y147-S150 PolarHBondContact O-N 3.23Å; Y147-S150 PolarHBondContact O-OG 3.14Å; Y147-L151 HydrophobicContact CE1-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.46Å; Y147-F685 HydrophobicContact CD2-CE1 4.49Å; Y147-F685 HydrophobicContact CE1-CE1 4.42Å; Y147-F685 AromaticContact CE2-CE1 3.84Å; Y147-F685 HydrophobicContact CE2-CE1 3.84Å; Y147-F685 HydrophobicContact CE2-CZ 4.18Å; Y147-F685 AromaticContact CZ-CE1 3.8Å; Y147-Y686 AromaticContact CD1-CD1 3.46Å; Y147-Y686 HydrophobicContact CD1-CD1 3.46Å; Y147-Y686 VanDerWaalsContact CD1-CD1 3.46Å; Y147-Y686 AromaticContact CD1-CE1 3.72Å; Y147-Y686 HydrophobicContact CD1-CE1 3.72Å; Y147-Y686 HydrophobicContact CD2-CD1 4.46Å; Y147-Y686 AromaticContact CE1-CD1 3.94Å; Y147-Y686 HydrophobicContact CE1-CD1 3.94Å; Y147-Y686 AromaticContact CE1-CE1 3.82Å; Y147-Y686 HydrophobicContact CE1-CE1 3.82Å; Y147-Y686 AromaticContact CG-CD1 3.75Å; Y147-Y686 HydrophobicContact CG-CD1 3.75Å; Y147-Y686 HydrophobicContact CG-CE1 4.45Å |
| 148 | R | 88 | Confident | 87.4 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 14% | 0.136 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -24.8 | 175.8 | -85 | -59.8 | -45.3 | 174.4 | 2 | 113.3 | Y144 M145 A146 D153 | Y144-R148 HydrophobicContact CD1-CG 4.26Å; Y144-R148 HydrophobicContact CE1-CG 3.69Å; Y144-R148 HydrophobicContact CE2-CG 4.11Å; Y144-R148 WeakPolarHBondContact O-CB 3.13Å; Y144-R148 WeakPolarHBondContact O-CG 3.07Å; Y144-R148 PolarHBondContact O-N 3.27Å; M145-R148 CarbonylContact O-C 3.55Å; M145-R148 WeakPolarHBondContact O-CA 3.39Å; M145-R148 WeakPolarHBondContact O-CB 3.46Å; M145-R148 PolarHBondContact O-N 3.24Å; A146-R148 PolarHBondContact O-N 2.86Å; R148-D153 IonicContact CZ-OD1 3.71Å; R148-D153 IonicContact CZ-OD2 2.69Å; R148-D153 VanDerWaalsContact CZ-OD2 3.25Å; R148-D153 IonicContact NH1-OD1 3.98Å; R148-D153 PolarHBondContact NH1-OD1 2.83Å; R148-D153 IonicContact NH1-OD2 3.01Å; R148-D153 PolarHBondContact NH1-OD2 2.94Å; R148-D153 IonicContact NH2-OD1 3.42Å; R148-D153 IonicContact NH2-OD2 3.7Å; R148-D153 PolarHBondContact NH2-OD2 3.35Å |
| 149 | H | 81.9 | Confident | 87.4 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.4 | -34 | 175.5 | -61.6 | -168.1 | 0 | 0 | 0 | 111.5 | M145 A146 Y147 L151 Y154 T176 E178 F700 | M145-H149 PolarHBondContact O-CD2 2.98Å; M145-H149 PolarHBondContact O-N 2.83Å; A146-H149 PolarHBondContact O-N 3.29Å; Y147-H149 VanDerWaalsContact C-N 3.27Å; Y147-H149 PolarHBondContact O-N 3.1Å; H149-L151 PolarHBondContact O-N 3.33Å; H149-Y154 AromaticContact CD2-CE2 3.63Å; H149-T176 PolarHBondContact CE1-O 2.93Å; H149-E178 IonicContact NE2-OE1 2.96Å; H149-F700 HydrophobicContact CB-CE2 4.39Å; H149-F700 AromaticContact CE1-CZ 3.77Å; H149-F700 AromaticContact ND1-CE1 3.94Å; H149-F700 AromaticContact ND1-CE2 3.71Å; H149-F700 AromaticContact ND1-CZ 3.36Å; H149-F700 WeakPolarHBondContact ND1-CZ 3.44Å |
| 150 | S | 79.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 50 Ų | 50 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 5.1 | 179.2 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | A146 Y147 S689 | A146-S150 PolarHBondContact O-N 2.87Å; Y147-S150 PolarHBondContact O-N 3.23Å; Y147-S150 PolarHBondContact O-OG 3.14Å; S150-S689 PolarHBondContact OG-O 3.02Å |
| 151 | L | 85.4 | Confident | 87.5 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -97.7 | 141 | 178.9 | -66 | 176.5 | 0 | 0 | 0 | 112.3 | Y147 H149 D153 Y154 | Y147-L151 HydrophobicContact CE1-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.46Å; H149-L151 PolarHBondContact O-N 3.33Å; L151-D153 WeakPolarHBondContact CB-OD1 3.35Å; L151-D153 PolarHBondContact O-N 2.98Å; L151-D153 VanDerWaalsContact O-N 3.09Å; L151-Y154 WeakPolarHBondContact O-CB 3.28Å; L151-Y154 PolarHBondContact O-N 2.89Å |
| 152 | P | 81.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 93% | 0.929 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -5.5 | -177.9 | 30.4 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 153 | D | 84.8 | Confident | 87.8 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 5.5 | 171.5 | 77.6 | -67.7 | 0 | 0 | 0 | 113.5 | R148 L151 | R148-D153 IonicContact CZ-OD1 3.71Å; R148-D153 IonicContact CZ-OD2 2.69Å; R148-D153 VanDerWaalsContact CZ-OD2 3.25Å; R148-D153 IonicContact NH1-OD1 3.98Å; R148-D153 PolarHBondContact NH1-OD1 2.83Å; R148-D153 IonicContact NH1-OD2 3.01Å; R148-D153 PolarHBondContact NH1-OD2 2.94Å; R148-D153 IonicContact NH2-OD1 3.42Å; R148-D153 IonicContact NH2-OD2 3.7Å; R148-D153 PolarHBondContact NH2-OD2 3.35Å; L151-D153 WeakPolarHBondContact CB-OD1 3.35Å; L151-D153 PolarHBondContact O-N 2.98Å; L151-D153 VanDerWaalsContact O-N 3.09Å |
| 154 | Y | 82.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | trans | -53.4 | 145.4 | 175.5 | 172.2 | -105.1 | 0 | 0 | 0 | 112.5 | H149 L151 P156 E178 F700 I704 | H149-Y154 AromaticContact CD2-CE2 3.63Å; L151-Y154 WeakPolarHBondContact O-CB 3.28Å; L151-Y154 PolarHBondContact O-N 2.89Å; Y154-P156 HydrophobicContact CD1-CG 4.41Å; Y154-P156 HydrophobicContact CE1-CB 4.43Å; Y154-P156 HydrophobicContact CE1-CG 3.98Å; Y154-E178 WeakPolarHBondContact CE2-OE1 3.45Å; Y154-E178 PolarHBondContact OH-OE1 3.19Å; Y154-E178 VanDerWaalsContact OH-OE1 3.07Å; Y154-F700 AromaticContact CE1-CE2 3.94Å; Y154-F700 HydrophobicContact CE1-CE2 3.94Å; Y154-F700 AromaticContact CZ-CE2 3.84Å; Y154-F700 WeakPolarHBondContact OH-CE2 3.37Å; Y154-I704 HydrophobicContact CE1-CD1 3.99Å | ||
| 155 | R | 83.5 | Confident | 87.2 | Confident | 173 Ų | 173 | 56 Ų | 56 | 65% | 0.653 | 28% | 0.28 | S | S | * | . | trans | -126.1 | 106.3 | -176.7 | -69.6 | -172.8 | 179.4 | -160.3 | 0.2 | 109.9 | N157 E158 | R155-N157 PolarHBondContact O-N 2.87Å; R155-E158 HydrophobicContact CB-CB 4.28Å; R155-E158 WeakPolarHBondContact O-CB 3.29Å; R155-E158 PolarHBondContact O-N 3.02Å | ||
| 156 | P | 80.5 | Confident | 86.9 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 26% | 0.26 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -14.8 | -177.1 | -36.3 | 40 | 0 | 0 | 0 | 119.5 | Y154 I704 | Y154-P156 HydrophobicContact CD1-CG 4.41Å; Y154-P156 HydrophobicContact CE1-CB 4.43Å; Y154-P156 HydrophobicContact CE1-CG 3.98Å; P156-I704 HydrophobicContact CB-CG2 3.33Å; P156-I704 HydrophobicContact CG-CG2 3.3Å |
| 157 | N | 85.9 | Confident | 86.8 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 33.8 | -175.9 | -62.2 | -45.2 | 0 | 0 | 0 | 109.8 | R155 R706 S707 V709 | R155-N157 PolarHBondContact O-N 2.87Å; N157-R706 WeakPolarHBondContact OD1-CA 3.46Å; N157-S707 PolarHBondContact OD1-N 2.92Å; N157-S707 PolarHBondContact OD1-O 3.04Å; N157-V709 HydrophobicContact CB-CG1 4.06Å |
| 158 | E | 87.1 | Confident | 86.7 | Confident | 45 Ų | 45 | 61 Ų | 61 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | trans | -69.2 | 150.6 | 170.1 | -164.2 | 154.1 | 122.4 | 0 | 0 | 109.6 | K42 R155 H160 N180 | K42-E158 VanDerWaalsContact CD-OE1 3.32Å; K42-E158 WeakPolarHBondContact CD-OE1 3.42Å; K42-E158 IonicContact NZ-OE1 2.84Å; K42-E158 PolarHBondContact NZ-OE1 3.04Å; K42-E158 IonicContact NZ-OE2 2.76Å; K42-E158 PolarHBondContact NZ-OE2 2.77Å; R155-E158 HydrophobicContact CB-CB 4.28Å; R155-E158 WeakPolarHBondContact O-CB 3.29Å; R155-E158 PolarHBondContact O-N 3.02Å; E158-H160 PolarHBondContact O-CD2 3.49Å; E158-N180 WeakPolarHBondContact O-CB 3.07Å | ||
| 159 | R | 91 | Very high | 86.8 | Confident | 125 Ų | 125 | 59.7 Ų | 59.7 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | trans | -106.3 | 123.5 | -174.7 | -72.1 | 171.9 | -70 | -156 | -9.2 | 109.3 | N180 V709 D711 F712 | R159-N180 HydrophobicContact CG-CB 4.32Å; R159-V709 HydrophobicContact CG-CG2 4.01Å; R159-D711 WeakPolarHBondContact CD-OD2 3.43Å; R159-D711 IonicContact CZ-OD2 3.96Å; R159-D711 IonicContact NE-OD2 2.99Å; R159-D711 VanDerWaalsContact NH1-CG 3.34Å; R159-D711 IonicContact NH1-OD1 2.65Å; R159-D711 PolarHBondContact NH1-OD1 2.8Å; R159-D711 IonicContact NH1-OD2 3.12Å; R159-D711 PolarHBondContact NH1-OD2 2.94Å; R159-F712 HydrophobicContact CB-CE2 4.08Å; R159-F712 HydrophobicContact CB-CZ 4.45Å; R159-F712 HydrophobicContact CG-CD2 4.18Å; R159-F712 HydrophobicContact CG-CE2 3.66Å; R159-F712 HydrophobicContact CG-CZ 4.37Å | ||
| 160 | H | 94.1 | Very high | 87.4 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.1 | -175.9 | -57.8 | -98.6 | 0 | 0 | 0 | 110.2 | E158 E178 N180 I181 C182 | E158-H160 PolarHBondContact O-CD2 3.49Å; H160-E178 IonicContact NE2-OE1 2.63Å; H160-E178 PolarHBondContact NE2-OE1 3.35Å; H160-N180 PolarHBondContact N-O 3.46Å; H160-I181 HydrophobicContact CB-CD1 4.5Å; H160-I181 HydrophobicContact CB-CG1 4.06Å; H160-I181 WeakPolarHBondContact O-CA 3.38Å; H160-C182 PolarHBondContact O-N 2.88Å; H160-C182 PolarHBondContact O-SG 3.03Å |
| 161 | C | 95.3 | Very high | 88 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 37% | 0.365 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.7 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | I38 C182 | I38-C161 HydrophobicContact CG2-CB 4.11Å; C161-C182 WeakPolarHBondContact CA-O 3.46Å |
| 162 | I | 95.8 | Very high | 88.2 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.1 | 178.6 | -56.4 | 177.7 | 0 | 0 | 0 | 108 | M145 L169 I181 C182 I183 L184 | M145-I162 HydrophobicContact SD-CD1 4.48Å; I162-L169 HydrophobicContact CG2-CD1 4.29Å; I162-L169 HydrophobicContact CG2-CD2 4.25Å; I162-I181 HydrophobicContact CD1-CG2 4.37Å; I162-C182 PolarHBondContact N-O 3.41Å; I162-I183 CarbonylContact O-C 3.59Å; I162-I183 VanDerWaalsContact O-CA 3.27Å; I162-I183 WeakPolarHBondContact O-CA 3.4Å; I162-L184 PolarHBondContact O-N 2.91Å |
| 163 | Y | 94.7 | Very high | 88.7 | Confident | 48 Ų | 48 | 50.9 Ų | 50.9 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.1 | 178.8 | 168.5 | -95.2 | 0 | 0 | 0 | 111.6 | I4 Y30 L34 L184 E186 F201 | I4-Y163 HydrophobicContact CD1-CD1 4.39Å; I4-Y163 HydrophobicContact CD1-CE1 3.79Å; I4-Y163 HydrophobicContact CG1-CE1 3.65Å; Y30-Y163 WeakPolarHBondContact CE1-OH 3.43Å; L34-Y163 HydrophobicContact CD1-CD1 3.79Å; L34-Y163 HydrophobicContact CD1-CD2 4.1Å; L34-Y163 HydrophobicContact CD1-CE1 3.85Å; L34-Y163 HydrophobicContact CD1-CE2 4.14Å; L34-Y163 HydrophobicContact CD1-CG 3.91Å; L34-Y163 HydrophobicContact CD2-CD2 4Å; L34-Y163 HydrophobicContact CD2-CE2 4.08Å; Y163-L184 WeakPolarHBondContact CA-O 3.4Å; Y163-L184 HydrophobicContact CD2-CB 4.32Å; Y163-L184 HydrophobicContact CD2-CD2 4.08Å; Y163-L184 HydrophobicContact CD2-CG 4.1Å; Y163-L184 WeakPolarHBondContact CD2-O 3.42Å; Y163-E186 PolarHBondContact OH-OE1 3.09Å; Y163-F201 HydrophobicContact CE2-CE1 4.01Å |
| 164 | G | 89.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | 174.4 | 159.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L184 R185 | G164-L184 PolarHBondContact N-O 2.89Å; G164-L184 VanDerWaalsContact N-O 3.13Å; G164-R185 WeakPolarHBondContact O-CG 3.19Å; G164-R185 PolarHBondContact O-NE 2.89Å | ||
| 165 | M | 81.8 | Confident | 89.5 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 39% | 0.394 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -92.1 | -16.5 | -179 | -60.8 | -166.7 | -57.7 | 0 | 0 | 112.9 | R185 E186 | M165-R185 PolarHBondContact O-NH2 3.02Å; M165-E186 HydrophobicContact SD-CB 4.37Å |
| 166 | D | 84.4 | Confident | 89.8 | Confident | 89 Ų | 89 | 38 Ų | 38 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | trans | -77.1 | 140.1 | -168.2 | -45.3 | -74.9 | 0 | 0 | 0 | 111 | R185 | D166-R185 PolarHBondContact O-NH2 3.32Š| ||
| 167 | A | 84.4 | Confident | 90.2 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 44% | 0.438 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -35 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L169 I170 | A167-L169 PolarHBondContact O-N 3.18Å; A167-L169 VanDerWaalsContact O-N 3.11Å; A167-I170 VanDerWaalsContact O-CB 3.31Å; A167-I170 WeakPolarHBondContact O-CB 3.4Å; A167-I170 WeakPolarHBondContact O-CG1 3.14Å; A167-I170 PolarHBondContact O-N 2.83Å |
| 168 | D | 87.4 | Confident | 90.3 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 16% | 0.16 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -24.1 | -175.8 | -60.3 | 42.1 | 0 | 0 | 0 | 112.3 | I170 F171 L172 Y521 | D168-I170 PolarHBondContact O-N 3.43Å; D168-F171 PolarHBondContact O-N 2.97Å; D168-F171 VanDerWaalsContact O-N 3.16Å; D168-L172 VanDerWaalsContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CB 3.29Å; D168-L172 PolarHBondContact O-N 3.49Å; D168-Y521 PolarHBondContact OD2-OH 3.12Å |
| 169 | L | 91.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -26 | 170.1 | -62.5 | 178.4 | 0 | 0 | 0 | 113.9 | E138 I162 A167 L172 G173 I183 | E138-L169 HydrophobicContact CB-CD2 3.67Å; I162-L169 HydrophobicContact CG2-CD1 4.29Å; I162-L169 HydrophobicContact CG2-CD2 4.25Å; A167-L169 PolarHBondContact O-N 3.18Å; A167-L169 VanDerWaalsContact O-N 3.11Å; L169-L172 HydrophobicContact CD2-CD2 4.4Å; L169-G173 PolarHBondContact O-N 3.48Å; L169-I183 HydrophobicContact CB-CD1 4.33Å; L169-I183 WeakPolarHBondContact O-CD1 3.37Å |
| 170 | I | 92.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 17% | 0.169 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.7 | -48.5 | 174.4 | -59.2 | 171.6 | 0 | 0 | 0 | 109.4 | A167 D168 G173 L174 I183 L206 L209 | A167-I170 VanDerWaalsContact O-CB 3.31Å; A167-I170 WeakPolarHBondContact O-CB 3.4Å; A167-I170 WeakPolarHBondContact O-CG1 3.14Å; A167-I170 PolarHBondContact O-N 2.83Å; D168-I170 PolarHBondContact O-N 3.43Å; I170-G173 PolarHBondContact O-N 3.34Å; I170-L174 HydrophobicContact CG2-CD1 4.4Å; I170-L174 WeakPolarHBondContact O-CG 3.26Å; I170-L174 PolarHBondContact O-N 3.4Å; I170-I183 HydrophobicContact CB-CD1 4.34Å; I170-I183 HydrophobicContact CG1-CD1 3.84Å; I170-L206 HydrophobicContact CG2-CD2 4.18Å; I170-L209 HydrophobicContact CG2-CD2 3.65Å |
| 171 | F | 92.4 | Very high | 90.5 | Very high | 40 Ų | 40 | 25 Ų | 25 | 18% | 0.175 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -50.4 | 177.2 | -57.7 | -52.8 | 0 | 0 | 0 | 111 | D168 G173 L174 T175 W237 V238 A241 F242 | D168-F171 PolarHBondContact O-N 2.97Å; D168-F171 VanDerWaalsContact O-N 3.16Å; F171-G173 VanDerWaalsContact C-N 3.26Å; F171-G173 PolarHBondContact O-N 3.02Å; F171-L174 WeakPolarHBondContact O-CA 3.42Å; F171-L174 WeakPolarHBondContact O-CB 3.28Å; F171-L174 PolarHBondContact O-N 2.91Å; F171-T175 WeakPolarHBondContact O-CG2 3.26Å; F171-T175 PolarHBondContact O-N 3.14Å; F171-W237 HydrophobicContact CD1-CZ3 4.07Å; F171-W237 HydrophobicContact CE1-CH2 4.33Å; F171-W237 AromaticContact CE1-CZ3 3.82Å; F171-W237 HydrophobicContact CE1-CZ3 3.82Å; F171-V238 HydrophobicContact CB-CG1 3.97Å; F171-V238 HydrophobicContact CD1-CG1 4.44Å; F171-V238 HydrophobicContact CD1-CG2 4.31Å; F171-V238 HydrophobicContact CG-CG1 4.47Å; F171-A241 HydrophobicContact CD1-CB 4.3Å; F171-A241 HydrophobicContact CE1-CB 3.52Å; F171-A241 HydrophobicContact CE2-CB 4.46Å; F171-A241 HydrophobicContact CZ-CB 3.63Å; F171-F242 HydrophobicContact CB-CE1 4.04Å; F171-F242 HydrophobicContact CB-CZ 4.18Å; F171-F242 AromaticContact CD2-CE1 4Å; F171-F242 HydrophobicContact CD2-CE1 4Å; F171-F242 HydrophobicContact CG-CE1 4.11Å |
| 172 | L | 91.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -36.2 | 176.8 | -167.6 | 72 | 0 | 0 | 0 | 112.6 | E138 R142 D168 L169 T175 Y521 | E138-L172 HydrophobicContact CB-CD2 3.71Å; E138-L172 HydrophobicContact CG-CD2 4.14Å; R142-L172 HydrophobicContact CB-CD1 3.82Å; R142-L172 HydrophobicContact CB-CD2 4Å; R142-L172 HydrophobicContact CB-CG 3.96Å; R142-L172 HydrophobicContact CG-CD1 3.59Å; R142-L172 HydrophobicContact CG-CG 4.04Å; D168-L172 VanDerWaalsContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CB 3.29Å; D168-L172 PolarHBondContact O-N 3.49Å; L169-L172 HydrophobicContact CD2-CD2 4.4Å; L172-T175 PolarHBondContact O-OG1 2.97Å; L172-Y521 HydrophobicContact CB-CD1 4.2Å; L172-Y521 HydrophobicContact CB-CE1 4.22Å; L172-Y521 HydrophobicContact CD1-CD1 3.59Å; L172-Y521 HydrophobicContact CD1-CE1 4.06Å |
| 173 | G | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L169 I170 F171 T176 L206 | L169-G173 PolarHBondContact O-N 3.48Å; I170-G173 PolarHBondContact O-N 3.34Å; F171-G173 VanDerWaalsContact C-N 3.26Å; F171-G173 PolarHBondContact O-N 3.02Å; G173-T176 PolarHBondContact O-OG1 3.2Å; G173-L206 VanDerWaalsContact C-CD1 3.44Å |
| 174 | L | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.8 | -42.4 | 173.4 | -72.3 | 169.8 | 0 | 0 | 0 | 111.7 | I170 F171 T176 H177 L206 L209 R210 I213 I234 W237 V238 | I170-L174 HydrophobicContact CG2-CD1 4.4Å; I170-L174 WeakPolarHBondContact O-CG 3.26Å; I170-L174 PolarHBondContact O-N 3.4Å; F171-L174 WeakPolarHBondContact O-CA 3.42Å; F171-L174 WeakPolarHBondContact O-CB 3.28Å; F171-L174 PolarHBondContact O-N 2.91Å; L174-T176 PolarHBondContact O-N 3.36Å; L174-T176 VanDerWaalsContact O-N 3.11Å; L174-H177 PolarHBondContact O-N 2.82Å; L174-L206 HydrophobicContact CG-CD1 4.49Å; L174-L209 HydrophobicContact CD1-CD2 4.11Å; L174-R210 HydrophobicContact CD2-CG 3.5Å; L174-I213 HydrophobicContact CD1-CD1 4.41Å; L174-I234 HydrophobicContact CB-CG2 3.95Å; L174-W237 HydrophobicContact CD1-CE3 4.09Å; L174-W237 HydrophobicContact CD1-CZ3 3.69Å; L174-V238 HydrophobicContact CB-CG2 4.08Å; L174-V238 HydrophobicContact CD1-CG2 4.25Å |
| 175 | T | 90.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 2.1 | -179.4 | 64.3 | 0 | 0 | 0 | 0 | 115.2 | F171 L172 H177 V238 Y521 F522 | F171-T175 WeakPolarHBondContact O-CG2 3.26Å; F171-T175 PolarHBondContact O-N 3.14Å; L172-T175 PolarHBondContact O-OG1 2.97Å; T175-H177 PolarHBondContact O-CD2 3.39Å; T175-V238 HydrophobicContact CG2-CB 4.23Å; T175-V238 HydrophobicContact CG2-CG1 3.78Å; T175-V238 HydrophobicContact CG2-CG2 4.14Å; T175-Y521 PolarHBondContact OG1-O 3.34Å; T175-F522 HydrophobicContact CG2-CD1 4Å; T175-F522 HydrophobicContact CG2-CD2 4.33Å; T175-F522 HydrophobicContact CG2-CE1 3.44Å; T175-F522 VanDerWaalsContact CG2-CE1 3.44Å; T175-F522 HydrophobicContact CG2-CE2 3.83Å; T175-F522 HydrophobicContact CG2-CG 4.42Å; T175-F522 HydrophobicContact CG2-CZ 3.36Å |
| 176 | T | 89.2 | Confident | 90.2 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -13.2 | 165.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | R142 M145 H149 G173 L174 E178 I181 | R142-T176 HydrophobicContact CG-CG2 4.46Å; M145-T176 HydrophobicContact CE-CG2 3.97Å; M145-T176 HydrophobicContact SD-CG2 4.42Å; H149-T176 PolarHBondContact CE1-O 2.93Å; G173-T176 PolarHBondContact O-OG1 3.2Å; L174-T176 PolarHBondContact O-N 3.36Å; L174-T176 VanDerWaalsContact O-N 3.11Å; T176-E178 PolarHBondContact O-N 2.88Å; T176-E178 VanDerWaalsContact O-N 3.09Å; T176-I181 WeakPolarHBondContact OG1-CD1 3.49Å |
| 177 | H | 89.2 | Confident | 89.5 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | trans | 57.2 | 16.2 | -176.1 | -54.5 | -91.8 | 0 | 0 | 0 | 114.7 | L174 T175 E231 D235 F700 Y701 R706 | L174-H177 PolarHBondContact O-N 2.82Å; T175-H177 PolarHBondContact O-CD2 3.39Å; H177-E231 PolarHBondContact CE1-O 2.79Å; H177-E231 IonicContact CE1-OE2 3.19Å; H177-E231 IonicContact CG-OE2 3.56Å; H177-E231 IonicContact ND1-OE2 3.12Å; H177-E231 PolarHBondContact ND1-OE2 3.25Å; H177-D235 IonicContact CE1-OD1 2.71Å; H177-D235 PolarHBondContact CE1-OD1 2.77Å; H177-D235 IonicContact NE2-OD1 3.52Å; H177-D235 PolarHBondContact NE2-OD1 2.94Å; H177-F700 HydrophobicContact CB-CE1 4.21Å; H177-Y701 AromaticContact CD2-CZ 3.86Å; H177-Y701 AromaticContact CE1-CE2 3.94Å; H177-Y701 AromaticContact CE1-CZ 3.88Å; H177-Y701 AromaticContact NE2-CZ 3.66Å; H177-Y701 PolarHBondContact NE2-OH 2.87Å; H177-Y701 VanDerWaalsContact NE2-OH 3.09Å; H177-R706 VanDerWaalsContact O-CD 3.28Å; H177-R706 WeakPolarHBondContact O-CD 3.42Å; H177-R706 PolarHBondContact O-NE 3.12Å | ||
| 178 | E | 88.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -75 | 122.9 | 171 | -80 | -74.6 | -161.5 | 0 | 0 | 110.4 | M145 H149 Y154 H160 T176 I181 | M145-E178 HydrophobicContact CE-CG 4.26Å; H149-E178 IonicContact NE2-OE1 2.96Å; Y154-E178 WeakPolarHBondContact CE2-OE1 3.45Å; Y154-E178 PolarHBondContact OH-OE1 3.19Å; Y154-E178 VanDerWaalsContact OH-OE1 3.07Å; H160-E178 IonicContact NE2-OE1 2.63Å; H160-E178 PolarHBondContact NE2-OE1 3.35Å; T176-E178 PolarHBondContact O-N 2.88Å; T176-E178 VanDerWaalsContact O-N 3.09Å; E178-I181 HydrophobicContact CB-CD1 3.8Å; E178-I181 HydrophobicContact CB-CG1 3.64Å | ||
| 179 | I | 90.4 | Very high | 86.8 | Confident | 24 Ų | 24 | 23.4 Ų | 23.4 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -35.9 | -177.4 | -65.9 | -171.7 | 0 | 0 | 0 | 111.2 | I181 S207 R706 V708 | I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.37Å; I179-S207 WeakPolarHBondContact O-CB 3.06Å; I179-S207 PolarHBondContact O-N 2.66Å; I179-R706 HydrophobicContact CD1-CB 3.49Å; I179-R706 VanDerWaalsContact CD1-CB 3.49Å; I179-R706 HydrophobicContact CG1-CB 3.97Å; I179-V708 HydrophobicContact CG2-CB 4.29Å; I179-V708 HydrophobicContact CG2-CG2 3.55Å |
| 180 | N | 92.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 45.7 | -167.4 | -57.8 | -71.1 | 0 | 0 | 0 | 112.1 | E158 R159 H160 S707 V708 V709 F712 | E158-N180 WeakPolarHBondContact O-CB 3.07Å; R159-N180 HydrophobicContact CG-CB 4.32Å; H160-N180 PolarHBondContact N-O 3.46Å; N180-S707 PolarHBondContact ND2-O 3.31Å; N180-S707 PolarHBondContact OD1-O 3Å; N180-V708 WeakPolarHBondContact OD1-CA 3.5Å; N180-V709 WeakPolarHBondContact OD1-CG2 3.39Å; N180-V709 PolarHBondContact OD1-N 2.92Å; N180-F712 HydrophobicContact CB-CD1 4.22Å; N180-F712 HydrophobicContact CB-CE1 4.16Å; N180-F712 HydrophobicContact CB-CG 4.48Å; N180-F712 HydrophobicContact CB-CZ 4.35Å; N180-F712 WeakPolarHBondContact O-CE1 3.41Å; N180-F712 VanDerWaalsContact O-CZ 3.22Å; N180-F712 WeakPolarHBondContact O-CZ 3.4Å |
| 181 | I | 94.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.3 | 171.1 | -55.7 | -156.3 | 0 | 0 | 0 | 111.3 | M145 H160 I162 T176 E178 I179 I183 L206 | M145-I181 HydrophobicContact CE-CD1 3.9Å; H160-I181 HydrophobicContact CB-CD1 4.5Å; H160-I181 HydrophobicContact CB-CG1 4.06Å; H160-I181 WeakPolarHBondContact O-CA 3.38Å; I162-I181 HydrophobicContact CD1-CG2 4.37Å; T176-I181 WeakPolarHBondContact OG1-CD1 3.49Å; E178-I181 HydrophobicContact CB-CD1 3.8Å; E178-I181 HydrophobicContact CB-CG1 3.64Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.37Å; I181-I183 HydrophobicContact CG2-CG1 4.32Å; I181-L206 HydrophobicContact CB-CB 4.26Å; I181-L206 HydrophobicContact CB-CD1 3.87Å; I181-L206 HydrophobicContact CB-CG 4.07Å; I181-L206 HydrophobicContact CG2-CD1 3.74Å; I181-L206 HydrophobicContact CG2-CG 4.05Å; I181-L206 PolarHBondContact O-N 2.96Å |
| 182 | C | 94.7 | Very high | 80.8 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148 | 160.6 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | H160 C161 I162 I203 T204 Y205 F712 | H160-C182 PolarHBondContact O-N 2.88Å; H160-C182 PolarHBondContact O-SG 3.03Å; C161-C182 WeakPolarHBondContact CA-O 3.46Å; I162-C182 PolarHBondContact N-O 3.41Å; C182-I203 HydrophobicContact CB-CG2 3.71Å; C182-T204 CarbonylContact C-O 3.53Å; C182-T204 VanDerWaalsContact CA-O 3.32Å; C182-T204 WeakPolarHBondContact CA-O 3.37Å; C182-Y205 HydrophobicContact CB-CD1 3.8Å; C182-Y205 HydrophobicContact CB-CE1 3.99Å; C182-Y205 HydrophobicContact CB-CG 4.36Å; C182-F712 HydrophobicContact CB-CE1 4.22Å; C182-F712 HydrophobicContact CB-CZ 4.26Å |
| 183 | I | 94.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.5 | 179.3 | -55.3 | 173.4 | 0 | 0 | 0 | 108.3 | I162 L169 I170 I181 R185 I203 T204 L206 | I162-I183 CarbonylContact O-C 3.59Å; I162-I183 VanDerWaalsContact O-CA 3.27Å; I162-I183 WeakPolarHBondContact O-CA 3.4Å; L169-I183 HydrophobicContact CB-CD1 4.33Å; L169-I183 WeakPolarHBondContact O-CD1 3.37Å; I170-I183 HydrophobicContact CB-CD1 4.34Å; I170-I183 HydrophobicContact CG1-CD1 3.84Å; I181-I183 HydrophobicContact CG2-CG1 4.32Å; I183-R185 HydrophobicContact CG2-CG 3.96Å; I183-I203 WeakPolarHBondContact O-CA 3.25Å; I183-T204 PolarHBondContact N-O 3.39Å; I183-T204 PolarHBondContact O-N 3.29Å; I183-L206 HydrophobicContact CD1-CD1 4.38Å; I183-L206 HydrophobicContact CD1-CD2 4.05Å; I183-L206 HydrophobicContact CD1-CG 4.46Å |
| 184 | L | 92.5 | Very high | 77.8 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.1 | 178.1 | -178.7 | 69.3 | 0 | 0 | 0 | 109.8 | L34 L37 I38 I162 Y163 G164 F201 I203 | L34-L184 HydrophobicContact CD2-CD2 3.86Å; L37-L184 HydrophobicContact CD2-CD2 4.19Å; I38-L184 HydrophobicContact CD1-CD2 3.87Å; I38-L184 HydrophobicContact CG1-CD2 4.11Å; I162-L184 PolarHBondContact O-N 2.91Å; Y163-L184 WeakPolarHBondContact CA-O 3.4Å; Y163-L184 HydrophobicContact CD2-CB 4.32Å; Y163-L184 HydrophobicContact CD2-CD2 4.08Å; Y163-L184 HydrophobicContact CD2-CG 4.1Å; Y163-L184 WeakPolarHBondContact CD2-O 3.42Å; G164-L184 PolarHBondContact N-O 2.89Å; G164-L184 VanDerWaalsContact N-O 3.13Å; L184-F201 HydrophobicContact CD1-CB 3.88Å; L184-F201 HydrophobicContact CD1-CD1 4.14Å; L184-F201 HydrophobicContact CD1-CG 4.32Å; L184-F201 HydrophobicContact CD2-CD1 4.45Å; L184-F201 HydrophobicContact CG-CD1 4.14Å; L184-I203 HydrophobicContact CD1-CD1 4.39Å; L184-I203 HydrophobicContact CD1-CG1 3.79Å |
| 185 | R | 87.4 | Confident | 76.5 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.5 | -175 | -35.6 | -177 | 93.5 | -167.1 | 11.4 | 110.3 | G164 M165 D166 I183 F201 C202 | G164-R185 WeakPolarHBondContact O-CG 3.19Å; G164-R185 PolarHBondContact O-NE 2.89Å; M165-R185 PolarHBondContact O-NH2 3.02Å; D166-R185 PolarHBondContact O-NH2 3.32Å; I183-R185 HydrophobicContact CG2-CG 3.96Å; R185-F201 CarbonylContact O-C 3.54Å; R185-F201 VanDerWaalsContact O-CA 3.31Å; R185-F201 WeakPolarHBondContact O-CA 3.45Å; R185-C202 PolarHBondContact N-O 2.93Å; R185-C202 PolarHBondContact O-N 3.33Å |
| 186 | E | 80.3 | Confident | 75.3 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.7 | 168.3 | -60.3 | -178.9 | -163.8 | 0 | 0 | 109.5 | Y30 Y163 M165 V188 K199 F201 | Y30-E186 VanDerWaalsContact OH-CD 3.23Å; Y30-E186 PolarHBondContact OH-OE1 2.98Å; Y163-E186 PolarHBondContact OH-OE1 3.09Å; M165-E186 HydrophobicContact SD-CB 4.37Å; E186-V188 PolarHBondContact O-N 3.01Å; E186-K199 HydrophobicContact CG-CD 4.49Å; E186-K199 IonicContact OE1-NZ 3.74Å; E186-K199 PolarHBondContact OE1-NZ 3.21Å; E186-K199 WeakPolarHBondContact OE2-CD 3.34Å; E186-K199 WeakPolarHBondContact OE2-CE 3.41Å; E186-K199 IonicContact OE2-NZ 2.91Å; E186-K199 PolarHBondContact OE2-NZ 3.4Å; E186-F201 HydrophobicContact CG-CD1 4.39Å; E186-F201 HydrophobicContact CG-CE1 3.97Å |
| 187 | N | 70.4 | Confident | 74 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | trans | -77.4 | 121.3 | 170.9 | 179.8 | 3.6 | 0 | 0 | 0 | 108.4 | V189 P200 | N187-V189 PolarHBondContact O-N 3.49Å; N187-P200 HydrophobicContact CB-CB 4.28Å; N187-P200 HydrophobicContact CB-CG 4.15Å; N187-P200 VanDerWaalsContact CB-O 3.3Å; N187-P200 WeakPolarHBondContact CB-O 3.43Å; N187-P200 PolarHBondContact N-O 3.41Å | ||
| 188 | V | 62.1 | Low | 72.7 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 76% | 0.764 | 25% | 0.25 | S | C | * | . | trans | -76.8 | 59.7 | -166.1 | -164.7 | 0 | 0 | 0 | 0 | 112.6 | E186 | E186-V188 PolarHBondContact O-N 3.01Š| ||
| 189 | V | 53.6 | Low | 71.6 | Confident | 77 Ų | 77 | 48 Ų | 48 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | trans | -83.2 | 139.2 | 162.5 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | N187 A191 P200 | N187-V189 PolarHBondContact O-N 3.49Å; V189-A191 PolarHBondContact O-N 2.93Å; V189-P200 HydrophobicContact CG2-CG 4.33Å | ||
| 190 | K | 49 | Very low | 70.6 | Confident | 188 Ų | 188 | 49.6 Ų | 49.6 | 82% | 0.817 | 27% | 0.268 | S | S | * | . | trans | -72.9 | 63.8 | -175.2 | -61.6 | -167.7 | 174.3 | -161.6 | 0 | 113.4 | ||||
| 191 | A | 46.6 | Very low | 69.9 | Low | 40 Ų | 40 | 51.5 Ų | 51.5 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | trans | -84.4 | 117.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | V189 N193 | V189-A191 PolarHBondContact O-N 2.93Å; A191-N193 PolarHBondContact O-N 3.02Å | ||
| 192 | Q | 53.3 | Low | 69.3 | Low | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | trans | -75.8 | 16.5 | -178 | -62.3 | 177 | -36 | 0 | 0 | 113.7 | ||||
| 193 | N | 60.7 | Low | 69 | Low | 87 Ų | 87 | 57.1 Ų | 57.1 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | trans | -114.5 | 134.8 | -165.1 | -65.7 | -1.1 | 0 | 0 | 0 | 111.9 | A191 S195 K199 | A191-N193 PolarHBondContact O-N 3.02Å; N193-S195 VanDerWaalsContact C-N 3.35Å; N193-K199 WeakPolarHBondContact O-CE 3.48Å | ||
| 194 | C | 60.4 | Low | 68.8 | Low | 18 Ų | 18 | 59.2 Ų | 59.2 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | trans | -77.5 | -13 | 174.7 | -60.4 | 0 | 0 | 0 | 0 | 114.7 | T7 | T7-C194 PolarHBondContact O-SG 3.47Š| ||
| 195 | S | 65.6 | Low | 68.9 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | trans | -77.4 | 124.9 | -176 | 163.5 | 0 | 0 | 0 | 0 | 111.5 | N193 N198 | N193-S195 VanDerWaalsContact C-N 3.35Å; S195-N198 PolarHBondContact OG-ND2 2.89Å | ||
| 196 | A | 65.5 | Low | 69.2 | Low | 3 Ų | 3 | 59.3 Ų | 59.3 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -64.4 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y30 F33 N198 K199 F201 | Y30-A196 HydrophobicContact CD1-CB 4.28Å; Y30-A196 HydrophobicContact CD2-CB 3.8Å; Y30-A196 HydrophobicContact CE1-CB 4.13Å; Y30-A196 HydrophobicContact CE2-CB 3.59Å; Y30-A196 HydrophobicContact CG-CB 4.12Å; F33-A196 HydrophobicContact CB-CB 3.99Å; F33-A196 HydrophobicContact CD1-CB 3.4Å; F33-A196 HydrophobicContact CD2-CB 4.19Å; F33-A196 HydrophobicContact CE1-CB 3.87Å; F33-A196 HydrophobicContact CG-CB 3.58Å; F33-A196 HydrophobicContact CZ-CB 4.44Å; A196-N198 PolarHBondContact O-N 3.16Å; A196-K199 PolarHBondContact O-N 3.4Å; A196-F201 HydrophobicContact CB-CZ 4.44Å |
| 197 | D | 63.2 | Low | 69.9 | Low | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -53.1 | -22.7 | -179.9 | -56 | 54.3 | 0 | 0 | 0 | 114.2 | F33 | F33-D197 HydrophobicContact CE2-CB 4.32Š|
| 198 | N | 61.6 | Low | 71 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -102.2 | 0.1 | -177.8 | -68.4 | -89.6 | 0 | 0 | 0 | 113.4 | S195 A196 | S195-N198 PolarHBondContact OG-ND2 2.89Å; A196-N198 PolarHBondContact O-N 3.16Å |
| 199 | K | 65.9 | Low | 72.5 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 12% | 0.122 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -100.3 | 128.9 | 178.8 | -71.8 | -175.9 | 171.3 | -169.7 | 0 | 110.7 | T7 Y30 E186 N193 A196 F201 | T7-K199 PolarHBondContact OG1-NZ 2.88Å; Y30-K199 WeakPolarHBondContact OH-CD 3.49Å; E186-K199 HydrophobicContact CG-CD 4.49Å; E186-K199 IonicContact OE1-NZ 3.74Å; E186-K199 PolarHBondContact OE1-NZ 3.21Å; E186-K199 WeakPolarHBondContact OE2-CD 3.34Å; E186-K199 WeakPolarHBondContact OE2-CE 3.41Å; E186-K199 IonicContact OE2-NZ 2.91Å; E186-K199 PolarHBondContact OE2-NZ 3.4Å; N193-K199 WeakPolarHBondContact O-CE 3.48Å; A196-K199 PolarHBondContact O-N 3.4Å; K199-F201 HydrophobicContact CB-CE2 4.21Å; K199-F201 WeakPolarHBondContact O-CD2 3.43Å; K199-F201 VanDerWaalsContact O-CE2 3.32Å; K199-F201 WeakPolarHBondContact O-CE2 3.33Å |
| 200 | P | 68.5 | Low | 74.5 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 38% | 0.377 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 133.2 | 167.6 | 26.4 | -29.1 | 0 | 0 | 0 | 110 | N187 V189 | N187-P200 HydrophobicContact CB-CB 4.28Å; N187-P200 HydrophobicContact CB-CG 4.15Å; N187-P200 VanDerWaalsContact CB-O 3.3Å; N187-P200 WeakPolarHBondContact CB-O 3.43Å; N187-P200 PolarHBondContact N-O 3.41Å; V189-P200 HydrophobicContact CG2-CG 4.33Å |
| 201 | F | 77.7 | Confident | 76.7 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156.2 | 173.8 | -68.4 | -97.6 | 0 | 0 | 0 | 110.6 | Y30 F33 L34 Y163 L184 R185 E186 A196 K199 | Y30-F201 HydrophobicContact CE1-CZ 4.47Å; F33-F201 HydrophobicContact CD1-CE2 4.5Å; F33-F201 HydrophobicContact CD1-CZ 4.42Å; F33-F201 HydrophobicContact CE1-CD2 4.3Å; F33-F201 AromaticContact CE1-CE2 3.5Å; F33-F201 HydrophobicContact CE1-CE2 3.5Å; F33-F201 VanDerWaalsContact CE1-CE2 3.5Å; F33-F201 AromaticContact CE1-CZ 3.79Å; F33-F201 HydrophobicContact CE1-CZ 3.79Å; F33-F201 HydrophobicContact CZ-CE2 4.01Å; L34-F201 HydrophobicContact CD2-CE1 4.05Å; L34-F201 HydrophobicContact CD2-CZ 4.37Å; Y163-F201 HydrophobicContact CE2-CE1 4.01Å; L184-F201 HydrophobicContact CD1-CB 3.88Å; L184-F201 HydrophobicContact CD1-CD1 4.14Å; L184-F201 HydrophobicContact CD1-CG 4.32Å; L184-F201 HydrophobicContact CD2-CD1 4.45Å; L184-F201 HydrophobicContact CG-CD1 4.14Å; R185-F201 CarbonylContact O-C 3.54Å; R185-F201 VanDerWaalsContact O-CA 3.31Å; R185-F201 WeakPolarHBondContact O-CA 3.45Å; E186-F201 HydrophobicContact CG-CD1 4.39Å; E186-F201 HydrophobicContact CG-CE1 3.97Å; A196-F201 HydrophobicContact CB-CZ 4.44Å; K199-F201 HydrophobicContact CB-CE2 4.21Å; K199-F201 WeakPolarHBondContact O-CD2 3.43Å; K199-F201 VanDerWaalsContact O-CE2 3.32Å; K199-F201 WeakPolarHBondContact O-CE2 3.33Å |
| 202 | C | 82.4 | Confident | 79 | Confident | 54 Ų | 54 | 44 Ų | 44 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.9 | 169.2 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | R185 | R185-C202 PolarHBondContact N-O 2.93Å; R185-C202 PolarHBondContact O-N 3.33Å |
| 203 | I | 87.7 | Confident | 80.9 | Confident | 80 Ų | 80 | 38.2 Ų | 38.2 | 41% | 0.41 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.7 | -177.3 | -55.6 | 175.5 | 0 | 0 | 0 | 109 | C182 I183 L184 Y205 | C182-I203 HydrophobicContact CB-CG2 3.71Å; I183-I203 WeakPolarHBondContact O-CA 3.25Å; L184-I203 HydrophobicContact CD1-CD1 4.39Å; L184-I203 HydrophobicContact CD1-CG1 3.79Å; I203-Y205 HydrophobicContact CB-CD2 4.46Å; I203-Y205 HydrophobicContact CB-CE2 3.91Å; I203-Y205 HydrophobicContact CG2-CD2 3.84Å; I203-Y205 HydrophobicContact CG2-CE1 4.27Å; I203-Y205 HydrophobicContact CG2-CE2 3.46Å; I203-Y205 VanDerWaalsContact CG2-CE2 3.46Å; I203-Y205 HydrophobicContact CG2-CG 4.4Å |
| 204 | T | 91 | Very high | 82.5 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.8 | 169.3 | -58 | 0 | 0 | 0 | 0 | 108.6 | C182 I183 L206 | C182-T204 CarbonylContact C-O 3.53Å; C182-T204 VanDerWaalsContact CA-O 3.32Å; C182-T204 WeakPolarHBondContact CA-O 3.37Å; I183-T204 PolarHBondContact N-O 3.39Å; I183-T204 PolarHBondContact O-N 3.29Å; T204-L206 HydrophobicContact CG2-CD2 4.38Å |
| 205 | Y | 94 | Very high | 84.1 | Confident | 57 Ų | 57 | 36 Ų | 36 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.6 | 178.6 | -68.9 | -96.3 | 0 | 0 | 0 | 110 | C182 I203 S207 L209 F712 P713 F775 | C182-Y205 HydrophobicContact CB-CD1 3.8Å; C182-Y205 HydrophobicContact CB-CE1 3.99Å; C182-Y205 HydrophobicContact CB-CG 4.36Å; I203-Y205 HydrophobicContact CB-CD2 4.46Å; I203-Y205 HydrophobicContact CB-CE2 3.91Å; I203-Y205 HydrophobicContact CG2-CD2 3.84Å; I203-Y205 HydrophobicContact CG2-CE1 4.27Å; I203-Y205 HydrophobicContact CG2-CE2 3.46Å; I203-Y205 VanDerWaalsContact CG2-CE2 3.46Å; I203-Y205 HydrophobicContact CG2-CG 4.4Å; Y205-S207 VanDerWaalsContact C-N 3.33Å; Y205-L209 PolarHBondContact O-N 2.95Å; Y205-F712 AromaticContact CD1-CD1 3.89Å; Y205-F712 HydrophobicContact CD1-CD1 3.89Å; Y205-F712 AromaticContact CD1-CE1 3.92Å; Y205-F712 HydrophobicContact CD1-CE1 3.92Å; Y205-F712 HydrophobicContact CE1-CD1 4.41Å; Y205-F712 HydrophobicContact CE1-CE1 4.37Å; Y205-P713 HydrophobicContact CD1-CG 3.54Å; Y205-P713 HydrophobicContact CD2-CG 3.81Å; Y205-P713 VanDerWaalsContact CE1-CD 3.49Å; Y205-P713 HydrophobicContact CE1-CG 3.99Å; Y205-P713 HydrophobicContact CE2-CG 4.24Å; Y205-P713 HydrophobicContact CG-CG 3.41Å; Y205-P713 VanDerWaalsContact CG-CG 3.41Å; Y205-F775 AromaticContact CD2-CE1 3.74Å; Y205-F775 HydrophobicContact CD2-CE1 3.74Å; Y205-F775 HydrophobicContact CE2-CD1 4.27Å; Y205-F775 AromaticContact CE2-CE1 3.79Å; Y205-F775 HydrophobicContact CE2-CE1 3.79Å |
| 206 | L | 94.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76 | -22.8 | -177.5 | -57 | -167 | 0 | 0 | 0 | 112.6 | I170 G173 L174 I181 I183 T204 V208 L209 R210 | I170-L206 HydrophobicContact CG2-CD2 4.18Å; G173-L206 VanDerWaalsContact C-CD1 3.44Å; L174-L206 HydrophobicContact CG-CD1 4.49Å; I181-L206 HydrophobicContact CB-CB 4.26Å; I181-L206 HydrophobicContact CB-CD1 3.87Å; I181-L206 HydrophobicContact CB-CG 4.07Å; I181-L206 HydrophobicContact CG2-CD1 3.74Å; I181-L206 HydrophobicContact CG2-CG 4.05Å; I181-L206 PolarHBondContact O-N 2.96Å; I183-L206 HydrophobicContact CD1-CD1 4.38Å; I183-L206 HydrophobicContact CD1-CD2 4.05Å; I183-L206 HydrophobicContact CD1-CG 4.46Å; T204-L206 HydrophobicContact CG2-CD2 4.38Å; L206-V208 PolarHBondContact O-N 2.84Å; L206-L209 HydrophobicContact CD2-CD2 4.11Å; L206-L209 PolarHBondContact O-N 3.19Å; L206-R210 WeakPolarHBondContact O-CB 3.2Å; L206-R210 VanDerWaalsContact O-CG 3.25Å; L206-R210 WeakPolarHBondContact O-CG 3.42Å; L206-R210 PolarHBondContact O-N 3.43Å |
| 207 | S | 93.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.6 | -51.7 | 171.5 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | I179 Y205 E211 P713 | I179-S207 WeakPolarHBondContact O-CB 3.06Å; I179-S207 PolarHBondContact O-N 2.66Å; Y205-S207 VanDerWaalsContact C-N 3.33Å; S207-E211 WeakPolarHBondContact O-CG 3.05Å; S207-E211 PolarHBondContact O-N 2.83Å; S207-P713 PolarHBondContact OG-O 2.77Å |
| 208 | V | 93.9 | Very high | 88.1 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.9 | -33.5 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 112 | L206 E211 Y212 P713 L715 | L206-V208 PolarHBondContact O-N 2.84Å; V208-E211 PolarHBondContact O-N 3.36Å; V208-Y212 HydrophobicContact CG1-CD2 3.75Å; V208-Y212 HydrophobicContact CG1-CE2 3.53Å; V208-Y212 VanDerWaalsContact O-CD2 3.22Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 2.71Å; V208-P713 HydrophobicContact CG2-CB 3.79Å; V208-P713 HydrophobicContact CG2-CG 3.86Å; V208-P713 WeakPolarHBondContact CG2-O 3.5Å; V208-L715 HydrophobicContact CG1-CD2 4.19Å; V208-L715 HydrophobicContact CG1-CG 4.21Å |
| 209 | L | 94.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.2 | -179.3 | 59.5 | 0 | 0 | 0 | 111.6 | I170 L174 Y205 L206 E211 Y212 I213 | I170-L209 HydrophobicContact CG2-CD2 3.65Å; L174-L209 HydrophobicContact CD1-CD2 4.11Å; Y205-L209 PolarHBondContact O-N 2.95Å; L206-L209 HydrophobicContact CD2-CD2 4.11Å; L206-L209 PolarHBondContact O-N 3.19Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.84Å; L209-Y212 PolarHBondContact O-N 3Å; L209-I213 HydrophobicContact CG-CD1 4.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.49Å; L209-I213 PolarHBondContact O-N 3.12Å |
| 210 | R | 94.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.9 | -71.3 | 170 | 52.4 | 102.2 | -1.3 | 111.7 | L174 L206 I213 D214 E231 I234 | L174-R210 HydrophobicContact CD2-CG 3.5Å; L206-R210 WeakPolarHBondContact O-CB 3.2Å; L206-R210 VanDerWaalsContact O-CG 3.25Å; L206-R210 WeakPolarHBondContact O-CG 3.42Å; L206-R210 PolarHBondContact O-N 3.43Å; R210-I213 PolarHBondContact O-N 3.31Å; R210-D214 PolarHBondContact O-N 3.24Å; R210-E231 IonicContact CZ-OE1 2.67Å; R210-E231 IonicContact CZ-OE2 3.3Å; R210-E231 VanDerWaalsContact CZ-OE2 3.24Å; R210-E231 IonicContact NH1-OE2 2.68Å; R210-E231 PolarHBondContact NH1-OE2 2.79Å; R210-E231 IonicContact NH2-OE1 2.73Å; R210-E231 PolarHBondContact NH2-OE1 2.77Å; R210-E231 IonicContact NH2-OE2 3.71Å; R210-E231 PolarHBondContact NH2-OE2 2.98Å; R210-I234 HydrophobicContact CB-CD1 4.32Å; R210-I234 HydrophobicContact CG-CD1 3.82Å |
| 211 | E | 94.5 | Very high | 91.6 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 16% | 0.159 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 171.7 | -69 | 171.4 | 142.1 | 0 | 0 | 112.2 | S207 V208 L209 I213 D214 L215 S714 L715 S716 | S207-E211 WeakPolarHBondContact O-CG 3.05Å; S207-E211 PolarHBondContact O-N 2.83Å; V208-E211 PolarHBondContact O-N 3.36Å; L209-E211 VanDerWaalsContact C-N 3.32Å; L209-E211 PolarHBondContact O-N 2.84Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 3.05Å; E211-D214 PolarHBondContact O-N 2.78Å; E211-L215 WeakPolarHBondContact O-CG 3.47Å; E211-L215 PolarHBondContact O-N 3.27Å; E211-S714 WeakPolarHBondContact OE1-CB 3.35Å; E211-S714 PolarHBondContact OE1-OG 2.97Å; E211-S714 VanDerWaalsContact OE2-CA 3.27Å; E211-S714 WeakPolarHBondContact OE2-CA 3.41Å; E211-L715 HydrophobicContact CB-CD1 4.03Å; E211-L715 HydrophobicContact CB-CG 4.33Å; E211-L715 PolarHBondContact OE1-N 2.87Å; E211-L715 PolarHBondContact OE2-N 3.34Å; E211-S716 PolarHBondContact OE1-N 3.05Å |
| 212 | Y | 95.2 | Very high | 92.2 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.1 | -38 | 174.1 | -83.8 | -64.2 | 0 | 0 | 0 | 112.9 | V208 L209 L215 E216 L715 M741 L743 | V208-Y212 HydrophobicContact CG1-CD2 3.75Å; V208-Y212 HydrophobicContact CG1-CE2 3.53Å; V208-Y212 VanDerWaalsContact O-CD2 3.22Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 2.71Å; L209-Y212 PolarHBondContact O-N 3Å; Y212-L215 HydrophobicContact CD1-CD1 4.3Å; Y212-L215 PolarHBondContact O-N 2.71Å; Y212-E216 PolarHBondContact O-N 2.79Å; Y212-L715 HydrophobicContact CD1-CD1 4.23Å; Y212-L715 HydrophobicContact CD2-CD1 4.29Å; Y212-L715 HydrophobicContact CE1-CD1 4.07Å; Y212-L715 HydrophobicContact CE2-CD1 4.14Å; Y212-L715 HydrophobicContact CG-CD1 4.32Å; Y212-M741 HydrophobicContact CD1-CB 4.12Å; Y212-M741 HydrophobicContact CD1-CG 3.98Å; Y212-M741 HydrophobicContact CE1-CB 4.09Å; Y212-M741 HydrophobicContact CE1-CG 4.01Å; Y212-L743 HydrophobicContact CE1-CD1 4.09Å |
| 213 | I | 94.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 173.7 | -67 | 166.2 | 0 | 0 | 0 | 110.6 | L174 L209 R210 E211 L215 E216 F217 L230 L233 I234 W237 | L174-I213 HydrophobicContact CD1-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 4.27Å; L209-I213 WeakPolarHBondContact O-CG1 3.49Å; L209-I213 PolarHBondContact O-N 3.12Å; R210-I213 PolarHBondContact O-N 3.31Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 3.05Å; I213-L215 VanDerWaalsContact C-N 3.28Å; I213-L215 PolarHBondContact O-N 3.01Å; I213-E216 PolarHBondContact O-N 2.81Å; I213-F217 HydrophobicContact CG2-CD2 4.14Å; I213-F217 HydrophobicContact CG2-CE2 4.39Å; I213-F217 WeakPolarHBondContact O-CD2 3.41Å; I213-F217 PolarHBondContact O-N 3.27Å; I213-L230 HydrophobicContact CG2-CD1 4.3Å; I213-L233 HydrophobicContact CG2-CD2 3.49Å; I213-L233 VanDerWaalsContact CG2-CD2 3.49Å; I213-I234 HydrophobicContact CG2-CG1 4.35Å; I213-W237 HydrophobicContact CD1-CD2 3.87Å; I213-W237 HydrophobicContact CD1-CE3 3.99Å; I213-W237 HydrophobicContact CD1-CG 4.4Å; I213-W237 HydrophobicContact CD1-CH2 4.31Å; I213-W237 HydrophobicContact CD1-CZ2 4.18Å; I213-W237 HydrophobicContact CD1-CZ3 4.22Å; I213-W237 HydrophobicContact CG1-CD2 4.38Å; I213-W237 HydrophobicContact CG1-CZ2 4.36Å |
| 214 | D | 94.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -34.7 | 175.4 | -172.1 | 66.5 | 0 | 0 | 0 | 112.8 | R210 E211 T218 K221 Y228 L230 | R210-D214 PolarHBondContact O-N 3.24Å; E211-D214 PolarHBondContact O-N 2.78Å; D214-T218 WeakPolarHBondContact O-CB 3.42Å; D214-T218 PolarHBondContact O-N 2.82Å; D214-T218 PolarHBondContact O-OG1 2.91Å; D214-K221 PolarHBondContact O-NZ 3.34Å; D214-K221 VanDerWaalsContact OD1-CE 3.32Å; D214-K221 WeakPolarHBondContact OD1-CE 3.31Å; D214-K221 IonicContact OD1-NZ 2.73Å; D214-K221 PolarHBondContact OD1-NZ 3.36Å; D214-K221 IonicContact OD2-NZ 3.25Å; D214-K221 PolarHBondContact OD2-NZ 3.33Å; D214-Y228 PolarHBondContact OD1-OH 2.64Å; D214-L230 HydrophobicContact CB-CD1 3.8Å; D214-L230 HydrophobicContact CB-CD2 3.88Å; D214-L230 HydrophobicContact CB-CG 4.48Å |
| 215 | L | 94.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70 | -47.9 | 174.3 | -65.3 | 175.2 | 0 | 0 | 0 | 112.1 | E211 Y212 I213 F217 T218 L715 F720 M741 L743 | E211-L215 WeakPolarHBondContact O-CG 3.47Å; E211-L215 PolarHBondContact O-N 3.27Å; Y212-L215 HydrophobicContact CD1-CD1 4.3Å; Y212-L215 PolarHBondContact O-N 2.71Å; I213-L215 VanDerWaalsContact C-N 3.28Å; I213-L215 PolarHBondContact O-N 3.01Å; L215-F217 VanDerWaalsContact C-N 3.27Å; L215-F217 PolarHBondContact O-N 2.75Å; L215-T218 WeakPolarHBondContact O-CB 3.24Å; L215-T218 PolarHBondContact O-N 2.77Å; L215-L715 HydrophobicContact CD1-CD1 3.91Å; L215-F720 HydrophobicContact CD1-CE2 3.76Å; L215-F720 HydrophobicContact CD1-CZ 4Å; L215-F720 HydrophobicContact CD2-CE2 3.79Å; L215-F720 HydrophobicContact CD2-CZ 4.11Å; L215-F720 HydrophobicContact CG-CE2 4.45Å; L215-M741 HydrophobicContact CB-CE 4.06Å; L215-M741 HydrophobicContact CD1-CG 4.49Å; L215-L743 HydrophobicContact CD1-CD2 4.02Å |
| 216 | E | 92.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53 | -45.4 | -179.7 | -162.7 | 78 | 176 | 0 | 0 | 111.5 | Y212 I213 I724 M741 | Y212-E216 PolarHBondContact O-N 2.79Å; I213-E216 PolarHBondContact O-N 2.81Å; E216-I724 WeakPolarHBondContact OE1-CD1 3.32Å; E216-M741 HydrophobicContact CB-CE 4.5Å; E216-M741 WeakPolarHBondContact OE2-CE 3.44Å |
| 217 | F | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 18.5 | -176.6 | -61.5 | -79.6 | 0 | 0 | 0 | 114 | I213 L215 E219 L220 L233 W237 W266 Y269 Q270 | I213-F217 HydrophobicContact CG2-CD2 4.14Å; I213-F217 HydrophobicContact CG2-CE2 4.39Å; I213-F217 WeakPolarHBondContact O-CD2 3.41Å; I213-F217 PolarHBondContact O-N 3.27Å; L215-F217 VanDerWaalsContact C-N 3.27Å; L215-F217 PolarHBondContact O-N 2.75Å; F217-E219 VanDerWaalsContact C-N 3.28Å; F217-E219 PolarHBondContact O-N 3.14Å; F217-L220 HydrophobicContact CB-CD1 4.16Å; F217-L220 HydrophobicContact CD1-CD1 3.85Å; F217-L220 HydrophobicContact CG-CD1 4.44Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 3.41Å; F217-L233 HydrophobicContact CB-CD1 3.64Å; F217-L233 HydrophobicContact CB-CD2 4.24Å; F217-L233 HydrophobicContact CD1-CD1 4.5Å; F217-L233 HydrophobicContact CD2-CD1 4.37Å; F217-L233 HydrophobicContact CD2-CD2 3.61Å; F217-L233 HydrophobicContact CE2-CD2 4.23Å; F217-L233 HydrophobicContact CG-CD1 3.92Å; F217-L233 HydrophobicContact CG-CD2 4.03Å; F217-W237 AromaticContact CE2-CD1 3.63Å; F217-W266 HydrophobicContact CE1-CB 4.41Å; F217-W266 HydrophobicContact CZ-CB 4.02Å; F217-W266 HydrophobicContact CZ-CG 4.1Å; F217-Y269 HydrophobicContact CD1-CD1 4.19Å; F217-Y269 HydrophobicContact CD1-CE1 4.29Å; F217-Y269 AromaticContact CE1-CD1 3.74Å; F217-Y269 HydrophobicContact CE1-CD1 3.74Å; F217-Y269 HydrophobicContact CE1-CE1 4.18Å; F217-Y269 HydrophobicContact CZ-CD1 4.42Å; F217-Q270 HydrophobicContact CD1-CG 3.81Å; F217-Q270 HydrophobicContact CE1-CG 3.74Å |
| 218 | T | 90.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.3 | -28.8 | -175.5 | -92.4 | 0 | 0 | 0 | 0 | 113.7 | D214 L215 L220 K221 | D214-T218 WeakPolarHBondContact O-CB 3.42Å; D214-T218 PolarHBondContact O-N 2.82Å; D214-T218 PolarHBondContact O-OG1 2.91Å; L215-T218 WeakPolarHBondContact O-CB 3.24Å; L215-T218 PolarHBondContact O-N 2.77Å; T218-L220 VanDerWaalsContact C-N 3.28Å; T218-L220 PolarHBondContact O-N 2.69Å; T218-K221 HydrophobicContact CG2-CD 4.5Å; T218-K221 VanDerWaalsContact O-CB 3.29Å; T218-K221 WeakPolarHBondContact O-CB 3.13Å; T218-K221 WeakPolarHBondContact O-CG 3.47Å; T218-K221 PolarHBondContact O-N 3.26Å; T218-K221 PolarHBondContact OG1-NZ 2.82Å |
| 219 | E | 88.3 | Confident | 92.4 | Very high | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -67.1 | -27.4 | 177.6 | -70.4 | -59.9 | 120.3 | 0 | 0 | 113.1 | F217 K221 K222 | F217-E219 VanDerWaalsContact C-N 3.28Å; F217-E219 PolarHBondContact O-N 3.14Å; E219-K221 PolarHBondContact O-N 3.17Å; E219-K221 VanDerWaalsContact O-N 3.15Å; E219-K222 WeakPolarHBondContact O-CB 3.42Å; E219-K222 PolarHBondContact O-N 3.31Å; E219-K222 WeakPolarHBondContact OE1-CE 3.33Å; E219-K222 IonicContact OE1-NZ 3.23Å; E219-K222 PolarHBondContact OE1-NZ 2.88Å; E219-K222 WeakPolarHBondContact OE2-CE 3.19Å; E219-K222 IonicContact OE2-NZ 2.7Å; E219-K222 PolarHBondContact OE2-NZ 3.46Å |
| 220 | L | 92 | Very high | 92.2 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -62 | -24 | 176.8 | -61.6 | -177.6 | 0 | 0 | 0 | 112.6 | F217 T218 K222 T223 L224 L233 Y269 L273 P274 | F217-L220 HydrophobicContact CB-CD1 4.16Å; F217-L220 HydrophobicContact CD1-CD1 3.85Å; F217-L220 HydrophobicContact CG-CD1 4.44Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 3.41Å; T218-L220 VanDerWaalsContact C-N 3.28Å; T218-L220 PolarHBondContact O-N 2.69Å; L220-K222 PolarHBondContact O-N 3.19Å; L220-T223 WeakPolarHBondContact CA-OG1 3.17Å; L220-T223 PolarHBondContact O-N 3.25Å; L220-T223 VanDerWaalsContact O-N 3.1Å; L220-T223 PolarHBondContact O-OG1 2.91Å; L220-L224 HydrophobicContact CB-CD1 4.1Å; L220-L224 HydrophobicContact CB-CG 4.21Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.16Å; L220-L233 HydrophobicContact CD1-CD1 4.41Å; L220-Y269 HydrophobicContact CD1-CE1 4.36Å; L220-L273 HydrophobicContact CD1-CD2 3.97Å; L220-P274 HydrophobicContact CD2-CG 3.92Å |
| 221 | K | 91.1 | Very high | 92 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -59.1 | -13 | 173.6 | -62.4 | 166.3 | -177.3 | 164.7 | 0 | 113.5 | D214 T218 E219 Y228 | D214-K221 PolarHBondContact O-NZ 3.34Å; D214-K221 VanDerWaalsContact OD1-CE 3.32Å; D214-K221 WeakPolarHBondContact OD1-CE 3.31Å; D214-K221 IonicContact OD1-NZ 2.73Å; D214-K221 PolarHBondContact OD1-NZ 3.36Å; D214-K221 IonicContact OD2-NZ 3.25Å; D214-K221 PolarHBondContact OD2-NZ 3.33Å; T218-K221 HydrophobicContact CG2-CD 4.5Å; T218-K221 VanDerWaalsContact O-CB 3.29Å; T218-K221 WeakPolarHBondContact O-CB 3.13Å; T218-K221 WeakPolarHBondContact O-CG 3.47Å; T218-K221 PolarHBondContact O-N 3.26Å; T218-K221 PolarHBondContact OG1-NZ 2.82Å; E219-K221 PolarHBondContact O-N 3.17Å; E219-K221 VanDerWaalsContact O-N 3.15Å; K221-Y228 HydrophobicContact CB-CD2 4.47Å; K221-Y228 HydrophobicContact CD-CD1 4.39Å; K221-Y228 HydrophobicContact CD-CE1 4.32Å; K221-Y228 HydrophobicContact CG-CD1 3.9Å; K221-Y228 HydrophobicContact CG-CD2 3.51Å; K221-Y228 HydrophobicContact CG-CE1 4.14Å; K221-Y228 HydrophobicContact CG-CE2 3.76Å; K221-Y228 HydrophobicContact CG-CG 3.58Å |
| 222 | K | 89.8 | Confident | 91.9 | Very high | 146 Ų | 146 | 51.7 Ų | 51.7 | 64% | 0.635 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -106.1 | -19.5 | 178.7 | -52.8 | 174.1 | -162.5 | 164.3 | 0 | 113.8 | E219 L220 | E219-K222 WeakPolarHBondContact O-CB 3.42Å; E219-K222 PolarHBondContact O-N 3.31Å; E219-K222 WeakPolarHBondContact OE1-CE 3.33Å; E219-K222 IonicContact OE1-NZ 3.23Å; E219-K222 PolarHBondContact OE1-NZ 2.88Å; E219-K222 WeakPolarHBondContact OE2-CE 3.19Å; E219-K222 IonicContact OE2-NZ 2.7Å; E219-K222 PolarHBondContact OE2-NZ 3.46Å; L220-K222 PolarHBondContact O-N 3.19Å |
| 223 | T | 91.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 48 Ų | 48 | 47% | 0.472 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -16.7 | -167.7 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | L220 | L220-T223 WeakPolarHBondContact CA-OG1 3.17Å; L220-T223 PolarHBondContact O-N 3.25Å; L220-T223 VanDerWaalsContact O-N 3.1Å; L220-T223 PolarHBondContact O-OG1 2.91Å |
| 224 | L | 91.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | trans | -73.8 | 138.6 | -176.2 | -67.2 | 171.7 | 0 | 0 | 0 | 112.8 | L220 F226 Y228 L273 P274 | L220-L224 HydrophobicContact CB-CD1 4.1Å; L220-L224 HydrophobicContact CB-CG 4.21Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.16Å; L224-F226 WeakPolarHBondContact CB-O 3.33Å; L224-F226 HydrophobicContact CD1-CE2 4.1Å; L224-F226 HydrophobicContact CD1-CZ 4.43Å; L224-F226 HydrophobicContact CD2-CE1 4.12Å; L224-F226 HydrophobicContact CD2-CE2 4.25Å; L224-F226 HydrophobicContact CD2-CZ 3.75Å; L224-F226 HydrophobicContact CG-CZ 4.49Å; L224-F226 PolarHBondContact O-N 3.45Å; L224-Y228 HydrophobicContact CD1-CD2 4Å; L224-L273 HydrophobicContact CD1-CD2 4.13Å; L224-L273 HydrophobicContact CD2-CB 4.17Å; L224-L273 HydrophobicContact CD2-CD2 3.67Å; L224-L273 HydrophobicContact CD2-CG 3.62Å; L224-P274 HydrophobicContact CD2-CG 4.45Å | ||
| 225 | P | 91.2 | Very high | 91.8 | Very high | 96 Ų | 96 | 46 Ų | 46 | 62% | 0.623 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -79.9 | -2 | 173.9 | 32.1 | -32.8 | 0 | 0 | 0 | 113.3 | L276 | P225-L276 WeakPolarHBondContact CG-O 3.4Š|
| 226 | F | 92.4 | Very high | 91.9 | Very high | 32 Ų | 32 | 45 Ų | 45 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -132.4 | 164.5 | 179.4 | 56.5 | -97.7 | 0 | 0 | 0 | 111.1 | L224 Y228 L273 L276 D277 G278 Y279 | L224-F226 WeakPolarHBondContact CB-O 3.33Å; L224-F226 HydrophobicContact CD1-CE2 4.1Å; L224-F226 HydrophobicContact CD1-CZ 4.43Å; L224-F226 HydrophobicContact CD2-CE1 4.12Å; L224-F226 HydrophobicContact CD2-CE2 4.25Å; L224-F226 HydrophobicContact CD2-CZ 3.75Å; L224-F226 HydrophobicContact CG-CZ 4.49Å; L224-F226 PolarHBondContact O-N 3.45Å; F226-Y228 PolarHBondContact O-N 3Å; F226-L273 HydrophobicContact CZ-CD1 4.02Å; F226-L273 HydrophobicContact CZ-CD2 4.38Å; F226-L273 HydrophobicContact CZ-CG 3.96Å; F226-L276 WeakPolarHBondContact CE1-O 3.37Å; F226-D277 WeakPolarHBondContact CD1-O 3.48Å; F226-G278 VanDerWaalsContact CE1-CA 3.43Å; F226-G278 VanDerWaalsContact CE1-N 3.27Å; F226-Y279 AromaticContact CD2-CE2 3.97Å; F226-Y279 HydrophobicContact CD2-CE2 3.97Å; F226-Y279 HydrophobicContact CE2-CD2 4.11Å; F226-Y279 HydrophobicContact CE2-CE1 4.12Å; F226-Y279 AromaticContact CE2-CE2 3.58Å; F226-Y279 HydrophobicContact CE2-CE2 3.58Å; F226-Y279 AromaticContact CE2-CZ 3.57Å |
| 227 | P | 90.5 | Very high | 91.9 | Very high | 110 Ų | 110 | 44 Ų | 44 | 71% | 0.714 | 23% | 0.226 | S | C | * | . | trans | -60.8 | 132.1 | -177.5 | -25 | 35.7 | 0 | 0 | 0 | 113.9 | D229 Y279 | P227-D229 PolarHBondContact O-N 3.28Å; P227-Y279 PolarHBondContact O-OH 3.25Å | ||
| 228 | Y | 92.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 44 Ų | 44 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | trans | -68.8 | 126.3 | 171.1 | -175.6 | -84.4 | 0 | 0 | 0 | 110.7 | D214 K221 L224 F226 L230 L233 Y279 | D214-Y228 PolarHBondContact OD1-OH 2.64Å; K221-Y228 HydrophobicContact CB-CD2 4.47Å; K221-Y228 HydrophobicContact CD-CD1 4.39Å; K221-Y228 HydrophobicContact CD-CE1 4.32Å; K221-Y228 HydrophobicContact CG-CD1 3.9Å; K221-Y228 HydrophobicContact CG-CD2 3.51Å; K221-Y228 HydrophobicContact CG-CE1 4.14Å; K221-Y228 HydrophobicContact CG-CE2 3.76Å; K221-Y228 HydrophobicContact CG-CG 3.58Å; L224-Y228 HydrophobicContact CD1-CD2 4Å; F226-Y228 PolarHBondContact O-N 3Å; Y228-L230 HydrophobicContact CE1-CB 4.23Å; Y228-L233 HydrophobicContact CE2-CD1 3.8Å; Y228-Y279 WeakPolarHBondContact CA-OH 3.39Å | ||
| 229 | D | 91 | Very high | 92.1 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | trans | -135.1 | 117.3 | 174.5 | -175.9 | -14.3 | 0 | 0 | 0 | 108.9 | P227 E231 R232 L233 Y279 | P227-D229 PolarHBondContact O-N 3.28Å; D229-E231 VanDerWaalsContact C-N 3.28Å; D229-E231 PolarHBondContact O-N 3.32Å; D229-E231 WeakPolarHBondContact OD1-CB 3.29Å; D229-E231 PolarHBondContact OD1-N 2.82Å; D229-R232 HydrophobicContact CB-CB 4.22Å; D229-R232 HydrophobicContact CB-CG 3.78Å; D229-R232 PolarHBondContact O-N 3Å; D229-R232 WeakPolarHBondContact OD2-CG 3.26Å; D229-L233 PolarHBondContact O-N 3.12Å; D229-Y279 PolarHBondContact N-OH 3.37Å | ||
| 230 | L | 91.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.199 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -30.7 | -179 | -179.5 | 61.4 | 0 | 0 | 0 | 112.3 | I213 D214 Y228 R232 L233 I234 | I213-L230 HydrophobicContact CG2-CD1 4.3Å; D214-L230 HydrophobicContact CB-CD1 3.8Å; D214-L230 HydrophobicContact CB-CD2 3.88Å; D214-L230 HydrophobicContact CB-CG 4.48Å; Y228-L230 HydrophobicContact CE1-CB 4.23Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-L233 HydrophobicContact CD1-CD2 4.48Å; L230-L233 PolarHBondContact O-N 3.15Å; L230-I234 HydrophobicContact CD1-CD1 4.21Å; L230-I234 HydrophobicContact CD1-CG1 4.37Å; L230-I234 HydrophobicContact CG-CD1 3.94Å; L230-I234 WeakPolarHBondContact O-CB 3.43Å; L230-I234 WeakPolarHBondContact O-CD1 3.44Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 3.18Å |
| 231 | E | 91 | Very high | 92.2 | Very high | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -39.9 | 178.8 | -54.8 | -66.6 | -171.4 | 0 | 0 | 110.6 | H177 R210 D229 I234 D235 Y701 R706 | H177-E231 PolarHBondContact CE1-O 2.79Å; H177-E231 IonicContact CE1-OE2 3.19Å; H177-E231 IonicContact CG-OE2 3.56Å; H177-E231 IonicContact ND1-OE2 3.12Å; H177-E231 PolarHBondContact ND1-OE2 3.25Å; R210-E231 IonicContact CZ-OE1 2.67Å; R210-E231 IonicContact CZ-OE2 3.3Å; R210-E231 VanDerWaalsContact CZ-OE2 3.24Å; R210-E231 IonicContact NH1-OE2 2.68Å; R210-E231 PolarHBondContact NH1-OE2 2.79Å; R210-E231 IonicContact NH2-OE1 2.73Å; R210-E231 PolarHBondContact NH2-OE1 2.77Å; R210-E231 IonicContact NH2-OE2 3.71Å; R210-E231 PolarHBondContact NH2-OE2 2.98Å; D229-E231 VanDerWaalsContact C-N 3.28Å; D229-E231 PolarHBondContact O-N 3.32Å; D229-E231 WeakPolarHBondContact OD1-CB 3.29Å; D229-E231 PolarHBondContact OD1-N 2.82Å; E231-I234 WeakPolarHBondContact O-CB 3.32Å; E231-I234 PolarHBondContact O-N 2.67Å; E231-D235 PolarHBondContact O-N 2.82Å; E231-Y701 HydrophobicContact CB-CD2 3.55Å; E231-Y701 HydrophobicContact CB-CE2 3.81Å; E231-Y701 HydrophobicContact CB-CG 4.46Å; E231-Y701 HydrophobicContact CG-CD2 4.37Å; E231-R706 IonicContact OE1-CZ 2.66Å; E231-R706 IonicContact OE1-NE 2.91Å; E231-R706 PolarHBondContact OE1-NE 3.16Å; E231-R706 IonicContact OE1-NH2 2.62Å; E231-R706 PolarHBondContact OE1-NH2 3.09Å |
| 232 | R | 91.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 34.4 Ų | 34.4 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.2 | -37.9 | 177.4 | -52.8 | -59.8 | -74.6 | -179.5 | -32.8 | 112.4 | D229 L230 I234 D235 D236 Y279 | D229-R232 HydrophobicContact CB-CB 4.22Å; D229-R232 HydrophobicContact CB-CG 3.78Å; D229-R232 PolarHBondContact O-N 3Å; D229-R232 WeakPolarHBondContact OD2-CG 3.26Å; L230-R232 VanDerWaalsContact C-N 3.34Å; R232-I234 PolarHBondContact O-N 3.13Å; R232-D235 IonicContact CZ-OD2 3.78Å; R232-D235 IonicContact NE-OD2 2.71Å; R232-D235 IonicContact NH1-OD2 3.69Å; R232-D235 PolarHBondContact NH1-OD2 3.41Å; R232-D235 WeakPolarHBondContact O-CB 3.27Å; R232-D235 PolarHBondContact O-N 3.16Å; R232-D236 PolarHBondContact O-N 2.89Å; R232-D236 VanDerWaalsContact O-N 3.13Å; R232-Y279 HydrophobicContact CB-CD1 3.69Å; R232-Y279 HydrophobicContact CB-CD2 3.5Å; R232-Y279 HydrophobicContact CB-CE1 3.74Å; R232-Y279 HydrophobicContact CB-CE2 3.57Å; R232-Y279 HydrophobicContact CB-CG 3.58Å; R232-Y279 HydrophobicContact CG-CD2 4.06Å; R232-Y279 HydrophobicContact CG-CE2 4.01Å |
| 233 | L | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -31.2 | 171.8 | -171.1 | 142.3 | 0 | 0 | 0 | 111.8 | I213 F217 L220 Y228 D229 L230 W237 Y269 Y279 | I213-L233 HydrophobicContact CG2-CD2 3.49Å; I213-L233 VanDerWaalsContact CG2-CD2 3.49Å; F217-L233 HydrophobicContact CB-CD1 3.64Å; F217-L233 HydrophobicContact CB-CD2 4.24Å; F217-L233 HydrophobicContact CD1-CD1 4.5Å; F217-L233 HydrophobicContact CD2-CD1 4.37Å; F217-L233 HydrophobicContact CD2-CD2 3.61Å; F217-L233 HydrophobicContact CE2-CD2 4.23Å; F217-L233 HydrophobicContact CG-CD1 3.92Å; F217-L233 HydrophobicContact CG-CD2 4.03Å; L220-L233 HydrophobicContact CD1-CD1 4.41Å; Y228-L233 HydrophobicContact CE2-CD1 3.8Å; D229-L233 PolarHBondContact O-N 3.12Å; L230-L233 HydrophobicContact CD1-CD2 4.48Å; L230-L233 PolarHBondContact O-N 3.15Å; L233-W237 WeakPolarHBondContact O-CB 3.43Å; L233-W237 PolarHBondContact O-N 3.03Å; L233-Y269 HydrophobicContact CD1-CE1 4.2Å; L233-Y269 HydrophobicContact CG-CE1 4.27Å; L233-Y279 HydrophobicContact CB-CE1 4.29Å |
| 234 | I | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 171.8 | -72.6 | 163.2 | 0 | 0 | 0 | 111.7 | L174 R210 I213 L230 E231 R232 D236 W237 V238 | L174-I234 HydrophobicContact CB-CG2 3.95Å; R210-I234 HydrophobicContact CB-CD1 4.32Å; R210-I234 HydrophobicContact CG-CD1 3.82Å; I213-I234 HydrophobicContact CG2-CG1 4.35Å; L230-I234 HydrophobicContact CD1-CD1 4.21Å; L230-I234 HydrophobicContact CD1-CG1 4.37Å; L230-I234 HydrophobicContact CG-CD1 3.94Å; L230-I234 WeakPolarHBondContact O-CB 3.43Å; L230-I234 WeakPolarHBondContact O-CD1 3.44Å; L230-I234 WeakPolarHBondContact O-CG1 3.49Å; L230-I234 PolarHBondContact O-N 3.18Å; E231-I234 WeakPolarHBondContact O-CB 3.32Å; E231-I234 PolarHBondContact O-N 2.67Å; R232-I234 PolarHBondContact O-N 3.13Å; I234-D236 VanDerWaalsContact C-N 3.31Å; I234-D236 PolarHBondContact O-N 2.86Å; I234-W237 PolarHBondContact O-N 2.99Å; I234-V238 HydrophobicContact CG2-CG2 4.44Å; I234-V238 WeakPolarHBondContact O-CG2 3.36Å; I234-V238 PolarHBondContact O-N 3.11Å |
| 235 | D | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.1 | -51.1 | 172 | -60.7 | -26 | 0 | 0 | 0 | 110 | H177 E231 R232 F239 V281 F522 Y701 | H177-D235 IonicContact CE1-OD1 2.71Å; H177-D235 PolarHBondContact CE1-OD1 2.77Å; H177-D235 IonicContact NE2-OD1 3.52Å; H177-D235 PolarHBondContact NE2-OD1 2.94Å; E231-D235 PolarHBondContact O-N 2.82Å; R232-D235 IonicContact CZ-OD2 3.78Å; R232-D235 IonicContact NE-OD2 2.71Å; R232-D235 IonicContact NH1-OD2 3.69Å; R232-D235 PolarHBondContact NH1-OD2 3.41Å; R232-D235 WeakPolarHBondContact O-CB 3.27Å; R232-D235 PolarHBondContact O-N 3.16Å; D235-F239 PolarHBondContact O-N 3.38Å; D235-F239 VanDerWaalsContact O-N 3.14Å; D235-V281 HydrophobicContact CB-CB 4.11Å; D235-V281 HydrophobicContact CB-CG1 4.17Å; D235-F522 HydrophobicContact CB-CE1 4.01Å; D235-F522 HydrophobicContact CB-CZ 4.25Å; D235-F522 WeakPolarHBondContact OD1-CE1 3.47Å; D235-Y701 PolarHBondContact OD1-OH 3.43Å; D235-Y701 WeakPolarHBondContact OD2-CE2 3.16Å; D235-Y701 PolarHBondContact OD2-OH 2.95Å |
| 236 | D | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.3 | -77.4 | 1.3 | 0 | 0 | 0 | 113.1 | R232 I234 V238 F239 M240 Y269 Y279 L280 V281 | R232-D236 PolarHBondContact O-N 2.89Å; R232-D236 VanDerWaalsContact O-N 3.13Å; I234-D236 VanDerWaalsContact C-N 3.31Å; I234-D236 PolarHBondContact O-N 2.86Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 3.23Å; D236-F239 PolarHBondContact O-N 2.92Å; D236-M240 WeakPolarHBondContact O-CB 3.24Å; D236-M240 WeakPolarHBondContact O-CG 3.43Å; D236-M240 PolarHBondContact O-N 2.96Å; D236-Y269 HydrophobicContact CB-CE2 3.75Å; D236-Y269 WeakPolarHBondContact CB-OH 3.19Å; D236-Y269 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y269 WeakPolarHBondContact OD2-CE2 3.3Å; D236-Y269 PolarHBondContact OD2-OH 2.94Å; D236-Y269 VanDerWaalsContact OD2-OH 3.14Å; D236-Y279 WeakPolarHBondContact OD2-CA 3.46Å; D236-Y279 WeakPolarHBondContact OD2-CB 3.45Å; D236-L280 VanDerWaalsContact CG-N 3.31Å; D236-L280 WeakPolarHBondContact OD1-CA 3.5Å; D236-L280 WeakPolarHBondContact OD1-CB 3.38Å; D236-L280 PolarHBondContact OD1-N 3.39Å; D236-L280 VanDerWaalsContact OD1-N 3.09Å; D236-L280 PolarHBondContact OD2-N 2.83Å; D236-V281 WeakPolarHBondContact OD1-CB 3.43Å; D236-V281 PolarHBondContact OD1-N 3.23Å |
| 237 | W | 94.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 179.8 | -172.3 | 92.1 | 0 | 0 | 0 | 112.5 | F171 L174 I213 F217 L233 I234 M240 A241 W266 | F171-W237 HydrophobicContact CD1-CZ3 4.07Å; F171-W237 HydrophobicContact CE1-CH2 4.33Å; F171-W237 AromaticContact CE1-CZ3 3.82Å; F171-W237 HydrophobicContact CE1-CZ3 3.82Å; L174-W237 HydrophobicContact CD1-CE3 4.09Å; L174-W237 HydrophobicContact CD1-CZ3 3.69Å; I213-W237 HydrophobicContact CD1-CD2 3.87Å; I213-W237 HydrophobicContact CD1-CE3 3.99Å; I213-W237 HydrophobicContact CD1-CG 4.4Å; I213-W237 HydrophobicContact CD1-CH2 4.31Å; I213-W237 HydrophobicContact CD1-CZ2 4.18Å; I213-W237 HydrophobicContact CD1-CZ3 4.22Å; I213-W237 HydrophobicContact CG1-CD2 4.38Å; I213-W237 HydrophobicContact CG1-CZ2 4.36Å; F217-W237 AromaticContact CE2-CD1 3.63Å; L233-W237 WeakPolarHBondContact O-CB 3.43Å; L233-W237 PolarHBondContact O-N 3.03Å; I234-W237 PolarHBondContact O-N 2.99Å; W237-M240 HydrophobicContact CB-CE 4.47Å; W237-A241 PolarHBondContact O-N 2.85Å; W237-W266 AromaticContact CD1-CE2 3.95Å; W237-W266 AromaticContact CD1-NE1 3.65Å; W237-W266 AromaticContact CE2-CE2 3.89Å; W237-W266 AromaticContact CE2-CZ2 3.43Å; W237-W266 VanDerWaalsContact CE2-CZ2 3.43Å; W237-W266 HydrophobicContact CH2-CZ2 4.45Å; W237-W266 AromaticContact CZ2-CH2 3.85Å; W237-W266 HydrophobicContact CZ2-CH2 3.85Å; W237-W266 AromaticContact CZ2-CZ2 3.36Å; W237-W266 HydrophobicContact CZ2-CZ2 3.36Å; W237-W266 AromaticContact NE1-CE2 3.26Å; W237-W266 VanDerWaalsContact NE1-CE2 3.26Å; W237-W266 AromaticContact NE1-CH2 3.95Å; W237-W266 AromaticContact NE1-CZ2 3.22Å; W237-W266 AromaticContact NE1-NE1 3.43Å |
| 238 | V | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.8 | -43.3 | 173.9 | 170.6 | 0 | 0 | 0 | 0 | 111 | F171 L174 T175 I234 D236 M240 A241 F242 F522 | F171-V238 HydrophobicContact CB-CG1 3.97Å; F171-V238 HydrophobicContact CD1-CG1 4.44Å; F171-V238 HydrophobicContact CD1-CG2 4.31Å; F171-V238 HydrophobicContact CG-CG1 4.47Å; L174-V238 HydrophobicContact CB-CG2 4.08Å; L174-V238 HydrophobicContact CD1-CG2 4.25Å; T175-V238 HydrophobicContact CG2-CB 4.23Å; T175-V238 HydrophobicContact CG2-CG1 3.78Å; T175-V238 HydrophobicContact CG2-CG2 4.14Å; I234-V238 HydrophobicContact CG2-CG2 4.44Å; I234-V238 WeakPolarHBondContact O-CG2 3.36Å; I234-V238 PolarHBondContact O-N 3.11Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 3.23Å; V238-M240 PolarHBondContact O-N 2.79Å; V238-A241 WeakPolarHBondContact O-CB 3.5Å; V238-A241 PolarHBondContact O-N 3.32Å; V238-F242 HydrophobicContact CG1-CD2 4.27Å; V238-F242 HydrophobicContact CG1-CE1 4.08Å; V238-F242 HydrophobicContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact CG1-CE2 3.49Å; V238-F242 HydrophobicContact CG1-CZ 3.35Å; V238-F242 PolarHBondContact O-N 2.93Å; V238-F522 HydrophobicContact CB-CZ 4.36Å; V238-F522 HydrophobicContact CG1-CE2 4.42Å; V238-F522 HydrophobicContact CG1-CZ 4.32Å |
| 239 | F | 94.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.1 | 172 | -114.6 | 0 | 0 | 0 | 112.8 | D235 D236 A241 F242 L243 V281 L286 F291 L514 L518 | D235-F239 PolarHBondContact O-N 3.38Å; D235-F239 VanDerWaalsContact O-N 3.14Å; D236-F239 PolarHBondContact O-N 2.92Å; F239-A241 VanDerWaalsContact C-N 3.28Å; F239-A241 PolarHBondContact O-N 3.18Å; F239-F242 WeakPolarHBondContact O-CB 3.37Å; F239-F242 PolarHBondContact O-N 2.8Å; F239-F242 VanDerWaalsContact O-N 3.08Å; F239-L243 HydrophobicContact CE2-CD2 4.32Å; F239-L243 HydrophobicContact CZ-CD2 4.13Å; F239-L243 PolarHBondContact O-N 3.1Å; F239-V281 HydrophobicContact CB-CG2 3.63Å; F239-V281 HydrophobicContact CD1-CG2 3.95Å; F239-V281 HydrophobicContact CD2-CG2 4.41Å; F239-V281 HydrophobicContact CG-CG2 3.73Å; F239-L286 HydrophobicContact CD1-CD1 4.34Å; F239-L286 HydrophobicContact CE1-CD1 3.59Å; F239-L286 HydrophobicContact CE2-CD1 4.05Å; F239-L286 HydrophobicContact CE2-CD2 4.3Å; F239-L286 HydrophobicContact CZ-CD1 3.42Å; F239-L286 VanDerWaalsContact CZ-CD1 3.42Å; F239-L286 HydrophobicContact CZ-CD2 3.96Å; F239-L286 HydrophobicContact CZ-CG 4.35Å; F239-F291 AromaticContact CE1-CD2 3.72Å; F239-F291 HydrophobicContact CE1-CD2 3.72Å; F239-F291 AromaticContact CE1-CE2 3.61Å; F239-F291 HydrophobicContact CE1-CE2 3.61Å; F239-F291 HydrophobicContact CE1-CZ 4.39Å; F239-F291 AromaticContact CZ-CD2 3.93Å; F239-F291 HydrophobicContact CZ-CD2 3.93Å; F239-F291 AromaticContact CZ-CE2 3.56Å; F239-F291 HydrophobicContact CZ-CE2 3.56Å; F239-F291 AromaticContact CZ-CZ 3.87Å; F239-F291 HydrophobicContact CZ-CZ 3.87Å; F239-L514 HydrophobicContact CE2-CB 4.4Å; F239-L518 HydrophobicContact CB-CD2 4.07Å; F239-L518 HydrophobicContact CD2-CD1 4.1Å; F239-L518 HydrophobicContact CD2-CD2 3.74Å; F239-L518 HydrophobicContact CD2-CG 4.05Å; F239-L518 HydrophobicContact CE2-CD1 4.28Å; F239-L518 HydrophobicContact CG-CD2 4.22Å |
| 240 | M | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.7 | -40.9 | 173.7 | -84 | -166.4 | -71 | 0 | 0 | 112.7 | D236 W237 V238 F242 L243 V265 Y269 Y294 | D236-M240 WeakPolarHBondContact O-CB 3.24Å; D236-M240 WeakPolarHBondContact O-CG 3.43Å; D236-M240 PolarHBondContact O-N 2.96Å; W237-M240 HydrophobicContact CB-CE 4.47Å; V238-M240 PolarHBondContact O-N 2.79Å; M240-F242 PolarHBondContact O-N 2.75Å; M240-L243 PolarHBondContact O-N 2.9Å; M240-V265 HydrophobicContact CB-CG1 3.56Å; M240-V265 HydrophobicContact CG-CG1 3.82Å; M240-V265 HydrophobicContact SD-CG1 3.87Å; M240-V265 VanDerWaalsContact SD-O 3.41Å; M240-Y269 HydrophobicContact CE-CD1 3.66Å; M240-Y269 HydrophobicContact CE-CD2 3.91Å; M240-Y269 HydrophobicContact CE-CE1 4.05Å; M240-Y269 HydrophobicContact CE-CE2 4.28Å; M240-Y269 HydrophobicContact CE-CG 3.56Å; M240-Y269 WeakPolarHBondContact SD-CB 3.46Å; M240-Y269 HydrophobicContact SD-CD1 4.33Å; M240-Y269 HydrophobicContact SD-CD2 3.95Å; M240-Y269 HydrophobicContact SD-CG 3.67Å; M240-Y294 HydrophobicContact SD-CE2 4.42Å |
| 241 | A | 90.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 14.5 Ų | 14.5 | 7% | 0.074 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F171 W237 V238 F239 L243 L244 G245 | F171-A241 HydrophobicContact CD1-CB 4.3Å; F171-A241 HydrophobicContact CE1-CB 3.52Å; F171-A241 HydrophobicContact CE2-CB 4.46Å; F171-A241 HydrophobicContact CZ-CB 3.63Å; W237-A241 PolarHBondContact O-N 2.85Å; V238-A241 WeakPolarHBondContact O-CB 3.5Å; V238-A241 PolarHBondContact O-N 3.32Å; F239-A241 VanDerWaalsContact C-N 3.28Å; F239-A241 PolarHBondContact O-N 3.18Å; A241-L243 VanDerWaalsContact C-N 3.28Å; A241-L243 PolarHBondContact O-N 2.96Å; A241-L244 WeakPolarHBondContact O-CB 3.47Å; A241-L244 PolarHBondContact O-N 3.15Å; A241-L244 VanDerWaalsContact O-N 3.09Å; A241-G245 PolarHBondContact O-N 3.16Å |
| 242 | F | 89.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 178.5 | -62 | -31.5 | 0 | 0 | 0 | 114 | F171 V238 F239 M240 L244 G245 N246 I517 Y521 | F171-F242 HydrophobicContact CB-CE1 4.04Å; F171-F242 HydrophobicContact CB-CZ 4.18Å; F171-F242 AromaticContact CD2-CE1 4Å; F171-F242 HydrophobicContact CD2-CE1 4Å; F171-F242 HydrophobicContact CG-CE1 4.11Å; V238-F242 HydrophobicContact CG1-CD2 4.27Å; V238-F242 HydrophobicContact CG1-CE1 4.08Å; V238-F242 HydrophobicContact CG1-CE2 3.49Å; V238-F242 VanDerWaalsContact CG1-CE2 3.49Å; V238-F242 HydrophobicContact CG1-CZ 3.35Å; V238-F242 PolarHBondContact O-N 2.93Å; F239-F242 WeakPolarHBondContact O-CB 3.37Å; F239-F242 PolarHBondContact O-N 2.8Å; F239-F242 VanDerWaalsContact O-N 3.08Å; M240-F242 PolarHBondContact O-N 2.75Å; F242-L244 PolarHBondContact O-N 2.72Å; F242-G245 PolarHBondContact O-N 3.39Å; F242-N246 HydrophobicContact CB-CB 4.5Å; F242-N246 HydrophobicContact CD1-CB 4.2Å; F242-N246 PolarHBondContact O-ND2 3.16Å; F242-I517 HydrophobicContact CB-CG2 4.43Å; F242-I517 HydrophobicContact CD2-CG2 3.71Å; F242-I517 HydrophobicContact CE2-CG2 4.08Å; F242-I517 HydrophobicContact CG-CG2 4.07Å; F242-Y521 HydrophobicContact CD1-CE2 4.45Å; F242-Y521 HydrophobicContact CD2-CD2 4.43Å; F242-Y521 HydrophobicContact CE1-CD2 4.01Å; F242-Y521 HydrophobicContact CE1-CE1 4.29Å; F242-Y521 AromaticContact CE1-CE2 3.67Å; F242-Y521 HydrophobicContact CE1-CE2 3.67Å; F242-Y521 HydrophobicContact CE1-CG 4.45Å; F242-Y521 AromaticContact CE1-CZ 3.84Å; F242-Y521 AromaticContact CE2-CD2 3.48Å; F242-Y521 HydrophobicContact CE2-CD2 3.48Å; F242-Y521 VanDerWaalsContact CE2-CD2 3.48Å; F242-Y521 AromaticContact CE2-CE2 3.97Å; F242-Y521 HydrophobicContact CE2-CE2 3.97Å; F242-Y521 AromaticContact CE2-CG 3.86Å; F242-Y521 HydrophobicContact CE2-CG 3.86Å; F242-Y521 AromaticContact CZ-CD1 3.81Å; F242-Y521 HydrophobicContact CZ-CD1 3.81Å; F242-Y521 AromaticContact CZ-CD2 3.22Å; F242-Y521 HydrophobicContact CZ-CD2 3.22Å; F242-Y521 AromaticContact CZ-CE1 3.97Å; F242-Y521 HydrophobicContact CZ-CE1 3.97Å; F242-Y521 AromaticContact CZ-CE2 3.39Å; F242-Y521 HydrophobicContact CZ-CE2 3.39Å; F242-Y521 AromaticContact CZ-CG 3.45Å; F242-Y521 HydrophobicContact CZ-CG 3.45Å; F242-Y521 VanDerWaalsContact CZ-CG 3.45Å; F242-Y521 AromaticContact CZ-CZ 3.78Å |
| 243 | L | 89.7 | Confident | 90.2 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -31.6 | 172.9 | -59.9 | 176.2 | 0 | 0 | 0 | 112.2 | F239 M240 A241 I252 F291 Y294 L514 | F239-L243 HydrophobicContact CE2-CD2 4.32Å; F239-L243 HydrophobicContact CZ-CD2 4.13Å; F239-L243 PolarHBondContact O-N 3.1Å; M240-L243 PolarHBondContact O-N 2.9Å; A241-L243 VanDerWaalsContact C-N 3.28Å; A241-L243 PolarHBondContact O-N 2.96Å; L243-I252 HydrophobicContact CB-CD1 4.28Å; L243-F291 HydrophobicContact CD1-CE2 4.26Å; L243-F291 HydrophobicContact CD2-CE2 4.45Å; L243-F291 HydrophobicContact CD2-CZ 4.24Å; L243-Y294 HydrophobicContact CD1-CE1 3.93Å; L243-L514 HydrophobicContact CD2-CD1 3.9Å; L243-L514 HydrophobicContact CD2-CD2 3.86Å |
| 244 | L | 85 | Confident | 89.4 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -83.8 | -23.5 | 179.6 | -68.1 | 163.3 | 0 | 0 | 0 | 113 | A241 F242 H251 L255 L262 V265 | A241-L244 WeakPolarHBondContact O-CB 3.47Å; A241-L244 PolarHBondContact O-N 3.15Å; A241-L244 VanDerWaalsContact O-N 3.09Å; F242-L244 PolarHBondContact O-N 2.72Å; L244-H251 PolarHBondContact O-ND1 3.18Å; L244-L255 HydrophobicContact CD2-CB 3.93Å; L244-L262 HydrophobicContact CD1-CB 4.04Å; L244-L262 HydrophobicContact CD1-CD1 3.45Å; L244-L262 VanDerWaalsContact CD1-CD1 3.45Å; L244-L262 HydrophobicContact CD1-CG 4.36Å; L244-V265 HydrophobicContact CD1-CB 4.19Å; L244-V265 HydrophobicContact CD1-CG1 4.28Å; L244-V265 HydrophobicContact CD1-CG2 4.08Å; L244-V265 HydrophobicContact CD2-CG2 4.04Å; L244-V265 HydrophobicContact CG-CG2 4.09Å |
| 245 | G | 80.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 14.6 Ų | 14.6 | 22% | 0.216 | 8% | 0.081 | C | C | . | . | trans | 168.3 | 142.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A241 F242 H251 | A241-G245 PolarHBondContact O-N 3.16Å; F242-G245 PolarHBondContact O-N 3.39Å; G245-H251 WeakPolarHBondContact CA-ND1 3.49Å | ||
| 246 | N | 89.3 | Confident | 87.6 | Confident | 20 Ų | 20 | 16.4 Ų | 16.4 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -158.7 | 170.4 | 171.9 | 64.1 | 81.7 | 0 | 0 | 0 | 108.2 | F242 F248 I249 I517 | F242-N246 HydrophobicContact CB-CB 4.5Å; F242-N246 HydrophobicContact CD1-CB 4.2Å; F242-N246 PolarHBondContact O-ND2 3.16Å; N246-F248 VanDerWaalsContact C-N 3.25Å; N246-F248 HydrophobicContact CB-CD2 4.5Å; N246-F248 PolarHBondContact O-N 3.11Å; N246-F248 WeakPolarHBondContact OD1-CB 3.49Å; N246-F248 PolarHBondContact OD1-N 3.46Å; N246-I249 WeakPolarHBondContact ND2-CG1 3.48Å; N246-I249 PolarHBondContact OD1-N 3.06Å; N246-I517 WeakPolarHBondContact OD1-CD1 3.08Å |
| 247 | D | 87.9 | Confident | 86.6 | Confident | 53 Ų | 53 | 21.6 Ų | 21.6 | 28% | 0.283 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 6.9 | -171.2 | -124.2 | 13.7 | 0 | 0 | 0 | 115.4 | K56 Q59 | K56-D247 HydrophobicContact CD-CB 4.13Å; K56-D247 WeakPolarHBondContact CE-OD2 3.28Å; K56-D247 IonicContact NZ-OD2 2.94Å; K56-D247 PolarHBondContact NZ-OD2 3.45Å; Q59-D247 PolarHBondContact NE2-OD1 3.21Å; Q59-D247 PolarHBondContact NE2-OD2 3.46Å |
| 248 | F | 92.3 | Very high | 85.4 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.057 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -19.6 | -168.2 | -48.9 | -81.2 | 0 | 0 | 0 | 115.8 | A55 K56 N246 M513 W516 I517 Y520 Y521 | A55-F248 HydrophobicContact CB-CB 4.47Å; A55-F248 HydrophobicContact CB-CD1 4.07Å; K56-F248 HydrophobicContact CB-CD1 4.25Å; K56-F248 HydrophobicContact CB-CE1 4.02Å; K56-F248 HydrophobicContact CD-CD1 4.19Å; K56-F248 HydrophobicContact CD-CE1 3.79Å; K56-F248 HydrophobicContact CD-CZ 4.43Å; K56-F248 HydrophobicContact CG-CE1 4.41Å; N246-F248 VanDerWaalsContact C-N 3.25Å; N246-F248 HydrophobicContact CB-CD2 4.5Å; N246-F248 PolarHBondContact O-N 3.11Å; N246-F248 WeakPolarHBondContact OD1-CB 3.49Å; N246-F248 PolarHBondContact OD1-N 3.46Å; F248-M513 HydrophobicContact CB-CE 3.61Å; F248-M513 HydrophobicContact CG-CE 4.42Å; F248-W516 HydrophobicContact CD1-CH2 4.07Å; F248-W516 AromaticContact CD1-CZ3 3.69Å; F248-W516 HydrophobicContact CD1-CZ3 3.69Å; F248-W516 HydrophobicContact CD2-CZ3 4.41Å; F248-W516 HydrophobicContact CE1-CH2 4.07Å; F248-W516 AromaticContact CE1-CZ3 3.9Å; F248-W516 HydrophobicContact CE1-CZ3 3.9Å; F248-W516 AromaticContact CG-CZ3 3.97Å; F248-W516 HydrophobicContact CG-CZ3 3.97Å; F248-W516 HydrophobicContact CZ-CZ3 4.37Å; F248-I517 HydrophobicContact CB-CD1 4.28Å; F248-I517 HydrophobicContact CB-CG1 4.2Å; F248-I517 HydrophobicContact CD2-CG1 4.11Å; F248-I517 HydrophobicContact CG-CG1 4.44Å; F248-Y520 HydrophobicContact CE1-CE1 4.42Å; F248-Y520 HydrophobicContact CE1-CE2 4.49Å; F248-Y520 HydrophobicContact CE2-CD1 4.08Å; F248-Y520 HydrophobicContact CE2-CE1 4.1Å; F248-Y520 AromaticContact CZ-CD1 3.81Å; F248-Y520 HydrophobicContact CZ-CD1 3.81Å; F248-Y520 AromaticContact CZ-CE1 3.49Å; F248-Y520 HydrophobicContact CZ-CE1 3.49Å; F248-Y520 VanDerWaalsContact CZ-CE1 3.49Å; F248-Y520 HydrophobicContact CZ-CE2 4.29Å; F248-Y520 HydrophobicContact CZ-CG 4.33Å; F248-Y520 AromaticContact CZ-CZ 3.76Å; F248-Y521 HydrophobicContact CE2-CE2 4Å |
| 249 | I | 91.3 | Very high | 84.1 | Confident | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -136 | 152.8 | 177.4 | 52.4 | -179.2 | 0 | 0 | 0 | 112 | N246 Y510 M513 L514 I517 Y532 | N246-I249 WeakPolarHBondContact ND2-CG1 3.48Å; N246-I249 PolarHBondContact OD1-N 3.06Å; I249-Y510 HydrophobicContact CB-CE2 4.26Å; I249-Y510 HydrophobicContact CD1-CE1 4.42Å; I249-Y510 HydrophobicContact CD1-CE2 3.78Å; I249-Y510 HydrophobicContact CG1-CE2 4.39Å; I249-M513 HydrophobicContact CG2-CB 3.93Å; I249-M513 HydrophobicContact CG2-CG 3.26Å; I249-L514 HydrophobicContact CD1-CD2 3.76Å; I249-I517 HydrophobicContact CD1-CD1 3.64Å; I249-I517 HydrophobicContact CG1-CD1 3.86Å; I249-I517 HydrophobicContact CG2-CD1 4.32Å; I249-Y532 HydrophobicContact CG2-CD1 4.48Å; I249-Y532 HydrophobicContact CG2-CG 4.15Å |
| 250 | P | 89.3 | Confident | 83 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 20% | 0.201 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 148 | 169.5 | -19.9 | 32.5 | 0 | 0 | 0 | 111.5 | Y532 H535 A537 | P250-Y532 VanDerWaalsContact CD-CD1 3.5Å; P250-Y532 HydrophobicContact CG-CD1 4.1Å; P250-Y532 HydrophobicContact CG-CE1 3.95Å; P250-H535 WeakPolarHBondContact CG-O 3.41Å; P250-A537 HydrophobicContact CB-CB 4.28Å |
| 251 | H | 85.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 30.9 Ų | 30.9 | 32% | 0.315 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 142.5 | 173.2 | -54.9 | -90 | 0 | 0 | 0 | 111.2 | L244 G245 A537 K621 | L244-H251 PolarHBondContact O-ND1 3.18Å; G245-H251 WeakPolarHBondContact CA-ND1 3.49Å; H251-A537 WeakPolarHBondContact O-CB 3.38Å; H251-K621 PolarHBondContact CD2-NZ 3.07Å; H251-K621 PolarHBondContact CE1-NZ 3.2Å; H251-K621 PolarHBondContact NE2-NZ 3.01Å |
| 252 | I | 88.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 138 | 167.2 | -55.1 | -179.9 | 0 | 0 | 0 | 108.9 | L243 L255 Y510 V540 | L243-I252 HydrophobicContact CB-CD1 4.28Å; I252-L255 HydrophobicContact CB-CB 4.49Å; I252-L255 HydrophobicContact CB-CD1 4.19Å; I252-L255 HydrophobicContact CD1-CD1 4.24Å; I252-L255 HydrophobicContact CG2-CD1 4.03Å; I252-L255 HydrophobicContact CG2-CG 4.41Å; I252-Y510 HydrophobicContact CD1-CE1 4.46Å; I252-Y510 HydrophobicContact CG1-CE1 4.37Å; I252-Y510 WeakPolarHBondContact CG1-OH 3.27Å; I252-V540 HydrophobicContact CG2-CG2 3.75Å |
| 253 | P | 83 | Confident | 81.7 | Confident | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -54.6 | 155.8 | 172.8 | -25.3 | 36.1 | 0 | 0 | 0 | 112.3 | L255 Y481 P538 F539 | P253-L255 PolarHBondContact O-N 2.91Å; P253-Y481 HydrophobicContact CG-CE1 4.18Å; P253-Y481 HydrophobicContact CG-CE2 4.07Å; P253-Y481 WeakPolarHBondContact CG-OH 3.44Å; P253-P538 WeakPolarHBondContact CD-O 3.25Å; P253-F539 HydrophobicContact CB-CD1 3.7Å; P253-F539 HydrophobicContact CB-CE1 3.5Å; P253-F539 VanDerWaalsContact CB-CE1 3.5Å; P253-F539 HydrophobicContact CB-CG 4.47Å; P253-F539 HydrophobicContact CB-CZ 4.13Å; P253-F539 HydrophobicContact CG-CD1 4.05Å; P253-F539 HydrophobicContact CG-CE1 4.06Å; P253-F539 HydrophobicContact CG-CG 4.34Å; P253-F539 HydrophobicContact CG-CZ 4.36Å |
| 254 | N | 77.3 | Confident | 81.5 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 13% | 0.128 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 63.2 | -36.7 | -179.6 | -60.3 | -18.4 | 0 | 0 | 0 | 116.2 | H256 W305 | N254-H256 PolarHBondContact O-N 3.02Å; N254-W305 HydrophobicContact CB-CE3 3.77Å; N254-W305 HydrophobicContact CB-CH2 3.99Å; N254-W305 HydrophobicContact CB-CZ3 3.47Å; N254-W305 VanDerWaalsContact CB-CZ3 3.47Å; N254-W305 VanDerWaalsContact CG-CZ3 3.47Å; N254-W305 WeakPolarHBondContact O-CH2 3.12Å; N254-W305 WeakPolarHBondContact O-CZ2 3.19Å; N254-W305 WeakPolarHBondContact OD1-CZ3 3.46Å |
| 255 | L | 79.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | trans | -79 | 105 | -178.2 | -62.5 | -176.4 | 0 | 0 | 0 | 111.8 | L244 I252 P253 L298 V540 | L244-L255 HydrophobicContact CD2-CB 3.93Å; I252-L255 HydrophobicContact CB-CB 4.49Å; I252-L255 HydrophobicContact CB-CD1 4.19Å; I252-L255 HydrophobicContact CD1-CD1 4.24Å; I252-L255 HydrophobicContact CG2-CD1 4.03Å; I252-L255 HydrophobicContact CG2-CG 4.41Å; P253-L255 PolarHBondContact O-N 2.91Å; L255-L298 HydrophobicContact CD1-CD2 4.22Å; L255-V540 HydrophobicContact CD1-CG2 3.78Å | ||
| 256 | H | 71.3 | Confident | 82.2 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | trans | -138.7 | 137.8 | -177.7 | -63.1 | -12.7 | 0 | 0 | 0 | 111.2 | N254 H258 A259 E260 S261 | N254-H256 PolarHBondContact O-N 3.02Å; H256-H258 VanDerWaalsContact C-N 3.26Å; H256-H258 PolarHBondContact O-N 3.13Å; H256-A259 HydrophobicContact CB-CB 4.14Å; H256-A259 CarbonylContact O-C 3.39Å; H256-A259 WeakPolarHBondContact O-CA 3.32Å; H256-A259 WeakPolarHBondContact O-CB 3.42Å; H256-A259 PolarHBondContact O-N 2.81Å; H256-E260 PolarHBondContact O-N 2.84Å; H256-S261 PolarHBondContact N-OG 3.02Å; H256-S261 PolarHBondContact O-N 2.89Å; H256-S261 PolarHBondContact O-OG 2.93Å | ||
| 257 | I | 73.2 | Confident | 82.2 | Confident | 110 Ų | 110 | 40.4 Ų | 40.4 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -58.4 | -37.2 | 178.3 | -57.7 | 173.2 | 0 | 0 | 0 | 111.8 | A259 E260 | I257-A259 PolarHBondContact O-N 3.04Å; I257-E260 PolarHBondContact O-N 2.97Å; I257-E260 VanDerWaalsContact O-N 3.13Å |
| 258 | H | 69.5 | Low | 82.4 | Confident | 121 Ų | 121 | 37.9 Ų | 37.9 | 56% | 0.56 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -70.5 | -8.1 | 173.9 | -64.6 | -37.9 | 0 | 0 | 0 | 114.5 | H256 I622 R1811 | H256-H258 VanDerWaalsContact C-N 3.26Å; H256-H258 PolarHBondContact O-N 3.13Å; H258-I622 HydrophobicContact CB-CD1 4.47Å; H258-R1811 PolarHBondContact O-NH2 3.48Å |
| 259 | A | 65.2 | Low | 82.4 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -108.9 | 22.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H256 I257 S261 W305 | H256-A259 HydrophobicContact CB-CB 4.14Å; H256-A259 CarbonylContact O-C 3.39Å; H256-A259 WeakPolarHBondContact O-CA 3.32Å; H256-A259 WeakPolarHBondContact O-CB 3.42Å; H256-A259 PolarHBondContact O-N 2.81Å; I257-A259 PolarHBondContact O-N 3.04Å; A259-S261 PolarHBondContact O-N 2.96Å; A259-W305 HydrophobicContact CB-CZ2 3.91Å |
| 260 | E | 72.9 | Confident | 82.5 | Confident | 86 Ų | 86 | 39.4 Ų | 39.4 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 8.2 | 173.9 | -69.1 | 131.9 | -122.9 | 0 | 0 | 115.3 | H256 I257 L262 L263 L738 | H256-E260 PolarHBondContact O-N 2.84Å; I257-E260 PolarHBondContact O-N 2.97Å; I257-E260 VanDerWaalsContact O-N 3.13Å; E260-L262 PolarHBondContact O-N 2.98Å; E260-L263 WeakPolarHBondContact O-CB 3.23Å; E260-L263 PolarHBondContact O-N 2.97Å; E260-L738 HydrophobicContact CG-CD1 4.15Å; E260-L738 HydrophobicContact CG-CD2 3.6Å |
| 261 | S | 79.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -12.8 | -177.9 | -48.3 | 0 | 0 | 0 | 0 | 115.3 | H256 A259 L263 V265 | H256-S261 PolarHBondContact N-OG 3.02Å; H256-S261 PolarHBondContact O-N 2.89Å; H256-S261 PolarHBondContact O-OG 2.93Å; A259-S261 PolarHBondContact O-N 2.96Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-V265 WeakPolarHBondContact O-CB 3.45Å; S261-V265 WeakPolarHBondContact O-CG2 3.49Å; S261-V265 PolarHBondContact O-N 3.22Å |
| 262 | L | 81.2 | Confident | 83 | Confident | 50 Ų | 50 | 36.8 Ų | 36.8 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 170.8 | -173.1 | 64.8 | 0 | 0 | 0 | 111.9 | L244 E260 W266 | L244-L262 HydrophobicContact CD1-CB 4.04Å; L244-L262 HydrophobicContact CD1-CD1 3.45Å; L244-L262 VanDerWaalsContact CD1-CD1 3.45Å; L244-L262 HydrophobicContact CD1-CG 4.36Å; E260-L262 PolarHBondContact O-N 2.98Å; L262-W266 HydrophobicContact CD1-CH2 4.2Å; L262-W266 HydrophobicContact CD1-CZ2 3.48Å; L262-W266 VanDerWaalsContact CD1-CZ2 3.48Å; L262-W266 HydrophobicContact CD2-CH2 3.6Å; L262-W266 HydrophobicContact CD2-CZ2 3.74Å; L262-W266 HydrophobicContact CD2-CZ3 4.32Å; L262-W266 HydrophobicContact CG-CD2 4.3Å; L262-W266 HydrophobicContact CG-CE3 4.45Å; L262-W266 HydrophobicContact CG-CH2 3.68Å; L262-W266 HydrophobicContact CG-CZ2 3.48Å; L262-W266 VanDerWaalsContact CG-CZ2 3.48Å; L262-W266 HydrophobicContact CG-CZ3 4.16Å; L262-W266 VanDerWaalsContact O-CG 3.28Å; L262-W266 PolarHBondContact O-N 3.13Å |
| 263 | L | 84 | Confident | 83.3 | Confident | 70 Ų | 70 | 36.7 Ų | 36.7 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.1 | -51.2 | 173.4 | -58.6 | 177.4 | 0 | 0 | 0 | 109.6 | E260 S261 V265 W266 D267 | E260-L263 WeakPolarHBondContact O-CB 3.23Å; E260-L263 PolarHBondContact O-N 2.97Å; S261-L263 VanDerWaalsContact C-N 3.34Å; L263-V265 VanDerWaalsContact C-N 3.27Å; L263-V265 PolarHBondContact O-N 3.03Å; L263-V265 VanDerWaalsContact O-N 3.16Å; L263-W266 HydrophobicContact CD2-CE3 4.25Å; L263-W266 HydrophobicContact CD2-CZ3 4.34Å; L263-W266 CarbonylContact O-C 3.47Å; L263-W266 WeakPolarHBondContact O-CA 3.44Å; L263-W266 PolarHBondContact O-N 3.14Å; L263-D267 VanDerWaalsContact O-CG 3.28Å; L263-D267 PolarHBondContact O-N 3.25Å |
| 264 | T | 85.5 | Confident | 83.8 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51 | -44.3 | 177.9 | -44.4 | 0 | 0 | 0 | 0 | 113 | T268 F301 | T264-T268 WeakPolarHBondContact O-CB 3.37Å; T264-T268 PolarHBondContact O-N 2.85Å; T264-T268 PolarHBondContact O-OG1 2.91Å; T264-F301 HydrophobicContact CG2-CB 3.64Å; T264-F301 HydrophobicContact CG2-CD1 3.99Å; T264-F301 HydrophobicContact CG2-CD2 4.46Å; T264-F301 HydrophobicContact CG2-CG 3.8Å |
| 265 | V | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.4 | 155 | 0 | 0 | 0 | 0 | 112.2 | M240 L244 S261 L263 Y269 Y294 L298 | M240-V265 HydrophobicContact CB-CG1 3.56Å; M240-V265 HydrophobicContact CG-CG1 3.82Å; M240-V265 HydrophobicContact SD-CG1 3.87Å; M240-V265 VanDerWaalsContact SD-O 3.41Å; L244-V265 HydrophobicContact CD1-CB 4.19Å; L244-V265 HydrophobicContact CD1-CG1 4.28Å; L244-V265 HydrophobicContact CD1-CG2 4.08Å; L244-V265 HydrophobicContact CD2-CG2 4.04Å; L244-V265 HydrophobicContact CG-CG2 4.09Å; S261-V265 WeakPolarHBondContact O-CB 3.45Å; S261-V265 WeakPolarHBondContact O-CG2 3.49Å; S261-V265 PolarHBondContact O-N 3.22Å; L263-V265 VanDerWaalsContact C-N 3.27Å; L263-V265 PolarHBondContact O-N 3.03Å; L263-V265 VanDerWaalsContact O-N 3.16Å; V265-Y269 PolarHBondContact O-N 2.85Å; V265-Y294 WeakPolarHBondContact CG1-OH 3.47Å; V265-Y294 PolarHBondContact O-OH 2.92Å; V265-L298 HydrophobicContact CG2-CD1 4.12Å |
| 266 | W | 90.2 | Very high | 85.2 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.9 | -38.8 | 176.2 | -62.8 | -19.8 | 0 | 0 | 0 | 113.2 | F217 W237 L262 L263 Y269 Q270 | F217-W266 HydrophobicContact CE1-CB 4.41Å; F217-W266 HydrophobicContact CZ-CB 4.02Å; F217-W266 HydrophobicContact CZ-CG 4.1Å; W237-W266 AromaticContact CD1-CE2 3.95Å; W237-W266 AromaticContact CD1-NE1 3.65Å; W237-W266 AromaticContact CE2-CE2 3.89Å; W237-W266 AromaticContact CE2-CZ2 3.43Å; W237-W266 VanDerWaalsContact CE2-CZ2 3.43Å; W237-W266 HydrophobicContact CH2-CZ2 4.45Å; W237-W266 AromaticContact CZ2-CH2 3.85Å; W237-W266 HydrophobicContact CZ2-CH2 3.85Å; W237-W266 AromaticContact CZ2-CZ2 3.36Å; W237-W266 HydrophobicContact CZ2-CZ2 3.36Å; W237-W266 AromaticContact NE1-CE2 3.26Å; W237-W266 VanDerWaalsContact NE1-CE2 3.26Å; W237-W266 AromaticContact NE1-CH2 3.95Å; W237-W266 AromaticContact NE1-CZ2 3.22Å; W237-W266 AromaticContact NE1-NE1 3.43Å; L262-W266 HydrophobicContact CD1-CH2 4.2Å; L262-W266 HydrophobicContact CD1-CZ2 3.48Å; L262-W266 VanDerWaalsContact CD1-CZ2 3.48Å; L262-W266 HydrophobicContact CD2-CH2 3.6Å; L262-W266 HydrophobicContact CD2-CZ2 3.74Å; L262-W266 HydrophobicContact CD2-CZ3 4.32Å; L262-W266 HydrophobicContact CG-CD2 4.3Å; L262-W266 HydrophobicContact CG-CE3 4.45Å; L262-W266 HydrophobicContact CG-CH2 3.68Å; L262-W266 HydrophobicContact CG-CZ2 3.48Å; L262-W266 VanDerWaalsContact CG-CZ2 3.48Å; L262-W266 HydrophobicContact CG-CZ3 4.16Å; L262-W266 VanDerWaalsContact O-CG 3.28Å; L262-W266 PolarHBondContact O-N 3.13Å; L263-W266 HydrophobicContact CD2-CE3 4.25Å; L263-W266 HydrophobicContact CD2-CZ3 4.34Å; L263-W266 CarbonylContact O-C 3.47Å; L263-W266 WeakPolarHBondContact O-CA 3.44Å; L263-W266 PolarHBondContact O-N 3.14Å; W266-Y269 CarbonylContact O-C 3.45Å; W266-Y269 WeakPolarHBondContact O-CA 3.31Å; W266-Y269 WeakPolarHBondContact O-CB 3.45Å; W266-Y269 PolarHBondContact O-N 3.23Å; W266-Q270 WeakPolarHBondContact O-CG 3.32Å; W266-Q270 PolarHBondContact O-N 2.93Å |
| 267 | D | 89.4 | Confident | 86.1 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.7 | -64.8 | -35.8 | 0 | 0 | 0 | 110.8 | L263 Y269 Q270 V271 | L263-D267 VanDerWaalsContact O-CG 3.28Å; L263-D267 PolarHBondContact O-N 3.25Å; D267-Y269 PolarHBondContact O-N 3.04Å; D267-Q270 PolarHBondContact O-N 3.44Å; D267-Q270 PolarHBondContact OD1-NE2 3.07Å; D267-V271 WeakPolarHBondContact O-CG2 3.49Å; D267-V271 PolarHBondContact O-N 3.17Å |
| 268 | T | 92 | Very high | 87 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.5 | -42.8 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 111 | T264 V271 V272 Y294 E297 L298 F301 | T264-T268 WeakPolarHBondContact O-CB 3.37Å; T264-T268 PolarHBondContact O-N 2.85Å; T264-T268 PolarHBondContact O-OG1 2.91Å; T268-V271 PolarHBondContact O-N 3.2Å; T268-V272 HydrophobicContact CG2-CG2 4.23Å; T268-V272 WeakPolarHBondContact O-CB 3.34Å; T268-V272 VanDerWaalsContact O-CG2 3.24Å; T268-V272 WeakPolarHBondContact O-CG2 3.13Å; T268-V272 PolarHBondContact O-N 3.02Å; T268-Y294 HydrophobicContact CG2-CD2 3.96Å; T268-Y294 HydrophobicContact CG2-CE2 3.61Å; T268-E297 HydrophobicContact CG2-CB 3.75Å; T268-E297 HydrophobicContact CG2-CG 3.99Å; T268-L298 HydrophobicContact CG2-CB 4.04Å; T268-L298 HydrophobicContact CG2-CD1 4.46Å; T268-F301 HydrophobicContact CG2-CD2 4.48Å; T268-F301 HydrophobicContact CG2-CE2 4.5Å; T268-F301 VanDerWaalsContact OG1-CD2 3.27Å; T268-F301 WeakPolarHBondContact OG1-CD2 3.26Å; T268-F301 WeakPolarHBondContact OG1-CE2 3.07Å |
| 269 | Y | 94.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 179.5 | 176.3 | -99.4 | 0 | 0 | 0 | 112.9 | F217 L220 L233 D236 M240 V265 W266 D267 V271 V272 L273 L280 | F217-Y269 HydrophobicContact CD1-CD1 4.19Å; F217-Y269 HydrophobicContact CD1-CE1 4.29Å; F217-Y269 AromaticContact CE1-CD1 3.74Å; F217-Y269 HydrophobicContact CE1-CD1 3.74Å; F217-Y269 HydrophobicContact CE1-CE1 4.18Å; F217-Y269 HydrophobicContact CZ-CD1 4.42Å; L220-Y269 HydrophobicContact CD1-CE1 4.36Å; L233-Y269 HydrophobicContact CD1-CE1 4.2Å; L233-Y269 HydrophobicContact CG-CE1 4.27Å; D236-Y269 HydrophobicContact CB-CE2 3.75Å; D236-Y269 WeakPolarHBondContact CB-OH 3.19Å; D236-Y269 VanDerWaalsContact OD2-CE2 3.3Å; D236-Y269 WeakPolarHBondContact OD2-CE2 3.3Å; D236-Y269 PolarHBondContact OD2-OH 2.94Å; D236-Y269 VanDerWaalsContact OD2-OH 3.14Å; M240-Y269 HydrophobicContact CE-CD1 3.66Å; M240-Y269 HydrophobicContact CE-CD2 3.91Å; M240-Y269 HydrophobicContact CE-CE1 4.05Å; M240-Y269 HydrophobicContact CE-CE2 4.28Å; M240-Y269 HydrophobicContact CE-CG 3.56Å; M240-Y269 WeakPolarHBondContact SD-CB 3.46Å; M240-Y269 HydrophobicContact SD-CD1 4.33Å; M240-Y269 HydrophobicContact SD-CD2 3.95Å; M240-Y269 HydrophobicContact SD-CG 3.67Å; V265-Y269 PolarHBondContact O-N 2.85Å; W266-Y269 CarbonylContact O-C 3.45Å; W266-Y269 WeakPolarHBondContact O-CA 3.31Å; W266-Y269 WeakPolarHBondContact O-CB 3.45Å; W266-Y269 PolarHBondContact O-N 3.23Å; D267-Y269 PolarHBondContact O-N 3.04Å; Y269-V271 VanDerWaalsContact C-N 3.27Å; Y269-V271 PolarHBondContact O-N 2.91Å; Y269-V272 PolarHBondContact O-N 2.79Å; Y269-L273 HydrophobicContact CD2-CB 4.49Å; Y269-L273 HydrophobicContact CE1-CD2 3.96Å; Y269-L273 HydrophobicContact CE2-CB 4.32Å; Y269-L273 HydrophobicContact CE2-CD1 3.7Å; Y269-L273 HydrophobicContact CE2-CD2 4.25Å; Y269-L273 HydrophobicContact CE2-CG 4.3Å; Y269-L273 VanDerWaalsContact O-CB 3.28Å; Y269-L273 WeakPolarHBondContact O-CB 3.37Å; Y269-L273 PolarHBondContact O-N 3.09Å; Y269-L273 WeakPolarHBondContact OH-CD2 3.32Å; Y269-L280 HydrophobicContact CD2-CD1 3.99Å; Y269-L280 HydrophobicContact CD2-CG 4.49Å; Y269-L280 HydrophobicContact CE2-CD1 4.17Å; Y269-L280 HydrophobicContact CE2-CG 4.29Å |
| 270 | Q | 92.1 | Very high | 89.5 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.7 | -36 | 172.1 | -67.6 | -168.1 | 84.3 | 0 | 0 | 112.3 | F217 W266 D267 P274 | F217-Q270 HydrophobicContact CD1-CG 3.81Å; F217-Q270 HydrophobicContact CE1-CG 3.74Å; W266-Q270 WeakPolarHBondContact O-CG 3.32Å; W266-Q270 PolarHBondContact O-N 2.93Å; D267-Q270 PolarHBondContact O-N 3.44Å; D267-Q270 PolarHBondContact OD1-NE2 3.07Å; Q270-P274 VanDerWaalsContact O-CD 3.23Å; Q270-P274 WeakPolarHBondContact O-CD 3.36Å |
| 271 | V | 92.4 | Very high | 90.4 | Very high | 42 Ų | 42 | 31 Ų | 31 | 26% | 0.255 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75.4 | -40.7 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 112 | D267 T268 Y269 K275 E297 P1804 | D267-V271 WeakPolarHBondContact O-CG2 3.49Å; D267-V271 PolarHBondContact O-N 3.17Å; T268-V271 PolarHBondContact O-N 3.2Å; Y269-V271 VanDerWaalsContact C-N 3.27Å; Y269-V271 PolarHBondContact O-N 2.91Å; V271-K275 VanDerWaalsContact O-CE 3.22Å; V271-K275 WeakPolarHBondContact O-CE 3.4Å; V271-E297 HydrophobicContact CG1-CG 4.41Å; V271-E297 WeakPolarHBondContact CG1-OE1 3.25Å; V271-P1804 HydrophobicContact CG2-CG 4.28Å |
| 272 | V | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.8 | -42 | -173.5 | 172.1 | 0 | 0 | 0 | 0 | 113.4 | T268 Y269 P274 K275 L276 Y294 E297 | T268-V272 HydrophobicContact CG2-CG2 4.23Å; T268-V272 WeakPolarHBondContact O-CB 3.34Å; T268-V272 VanDerWaalsContact O-CG2 3.24Å; T268-V272 WeakPolarHBondContact O-CG2 3.13Å; T268-V272 PolarHBondContact O-N 3.02Å; Y269-V272 PolarHBondContact O-N 2.79Å; V272-P274 VanDerWaalsContact C-CD 3.49Å; V272-K275 WeakPolarHBondContact O-CA 3.45Å; V272-K275 VanDerWaalsContact O-CB 3.23Å; V272-K275 WeakPolarHBondContact O-CB 3.26Å; V272-K275 PolarHBondContact O-N 2.68Å; V272-L276 HydrophobicContact CG1-CD1 3.98Å; V272-L276 HydrophobicContact CG1-CD2 4.16Å; V272-L276 HydrophobicContact CG1-CG 4.04Å; V272-Y294 HydrophobicContact CB-CD2 4.33Å; V272-Y294 HydrophobicContact CG1-CD2 4.43Å; V272-Y294 HydrophobicContact CG2-CD2 4.47Å; V272-E297 HydrophobicContact CG2-CB 3.5Å; V272-E297 VanDerWaalsContact CG2-CB 3.5Å; V272-E297 HydrophobicContact CG2-CG 3.74Å; V272-E297 WeakPolarHBondContact CG2-OE2 3.43Å |
| 273 | L | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -56.4 | -38.4 | -172.2 | -165.2 | 75.9 | 0 | 0 | 0 | 113.9 | L220 L224 F226 Y269 K275 L276 Y279 | L220-L273 HydrophobicContact CD1-CD2 3.97Å; L224-L273 HydrophobicContact CD1-CD2 4.13Å; L224-L273 HydrophobicContact CD2-CB 4.17Å; L224-L273 HydrophobicContact CD2-CD2 3.67Å; L224-L273 HydrophobicContact CD2-CG 3.62Å; F226-L273 HydrophobicContact CZ-CD1 4.02Å; F226-L273 HydrophobicContact CZ-CD2 4.38Å; F226-L273 HydrophobicContact CZ-CG 3.96Å; Y269-L273 HydrophobicContact CD2-CB 4.49Å; Y269-L273 HydrophobicContact CE1-CD2 3.96Å; Y269-L273 HydrophobicContact CE2-CB 4.32Å; Y269-L273 HydrophobicContact CE2-CD1 3.7Å; Y269-L273 HydrophobicContact CE2-CD2 4.25Å; Y269-L273 HydrophobicContact CE2-CG 4.3Å; Y269-L273 VanDerWaalsContact O-CB 3.28Å; Y269-L273 WeakPolarHBondContact O-CB 3.37Å; Y269-L273 PolarHBondContact O-N 3.09Å; Y269-L273 WeakPolarHBondContact OH-CD2 3.32Å; L273-K275 PolarHBondContact O-N 2.88Å; L273-L276 HydrophobicContact CD1-CD1 4.22Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 3.16Å; L273-L276 VanDerWaalsContact O-N 3.1Å; L273-Y279 HydrophobicContact CD1-CD1 4.42Å; L273-Y279 HydrophobicContact CD2-CE1 4.4Å |
| 274 | P | 94 | Very high | 90.9 | Very high | 40 Ų | 40 | 27.9 Ų | 27.9 | 26% | 0.26 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -64.7 | -16.8 | 172.3 | -22.8 | 35.9 | 0 | 0 | 0 | 115.2 | L220 L224 Q270 V272 | L220-P274 HydrophobicContact CD2-CG 3.92Å; L224-P274 HydrophobicContact CD2-CG 4.45Å; Q270-P274 VanDerWaalsContact O-CD 3.23Å; Q270-P274 WeakPolarHBondContact O-CD 3.36Å; V272-P274 VanDerWaalsContact C-CD 3.49Å |
| 275 | K | 92.7 | Very high | 91.1 | Very high | 113 Ų | 113 | 28.8 Ų | 28.8 | 49% | 0.491 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -88.5 | -1.2 | 175.2 | -46.2 | 177.5 | -172.3 | 177.3 | 0 | 112.6 | V271 V272 L273 E297 | V271-K275 VanDerWaalsContact O-CE 3.22Å; V271-K275 WeakPolarHBondContact O-CE 3.4Å; V272-K275 WeakPolarHBondContact O-CA 3.45Å; V272-K275 VanDerWaalsContact O-CB 3.23Å; V272-K275 WeakPolarHBondContact O-CB 3.26Å; V272-K275 PolarHBondContact O-N 2.68Å; L273-K275 PolarHBondContact O-N 2.88Å; K275-E297 IonicContact NZ-OE1 3.18Å; K275-E297 PolarHBondContact NZ-OE1 2.77Å; K275-E297 IonicContact NZ-OE2 2.72Å; K275-E297 PolarHBondContact NZ-OE2 2.74Å |
| 276 | L | 92.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -106.9 | 164.3 | -175.9 | -57.8 | -176.7 | 0 | 0 | 0 | 112.6 | P225 F226 V272 L273 G278 L280 R290 K293 | P225-L276 WeakPolarHBondContact CG-O 3.4Å; F226-L276 WeakPolarHBondContact CE1-O 3.37Å; V272-L276 HydrophobicContact CG1-CD1 3.98Å; V272-L276 HydrophobicContact CG1-CD2 4.16Å; V272-L276 HydrophobicContact CG1-CG 4.04Å; L273-L276 HydrophobicContact CD1-CD1 4.22Å; L273-L276 WeakPolarHBondContact O-CB 3.47Å; L273-L276 PolarHBondContact O-N 3.16Å; L273-L276 VanDerWaalsContact O-N 3.1Å; L276-G278 WeakPolarHBondContact CB-O 3.46Å; L276-L280 HydrophobicContact CD1-CD2 3.73Å; L276-R290 HydrophobicContact CB-CG 4.47Å; L276-R290 HydrophobicContact CD1-CB 3.9Å; L276-R290 HydrophobicContact CD1-CG 4.25Å; L276-R290 HydrophobicContact CD2-CB 4.11Å; L276-R290 HydrophobicContact CD2-CG 4.14Å; L276-K293 HydrophobicContact CD2-CB 4.12Å; L276-K293 HydrophobicContact CD2-CD 3.62Å; L276-K293 HydrophobicContact CD2-CG 4.48Å |
| 277 | D | 90.4 | Very high | 91.2 | Very high | 107 Ų | 107 | 27.6 Ų | 27.6 | 57% | 0.572 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -91.1 | -5.9 | 173.1 | 64.4 | -57.3 | 0 | 0 | 0 | 113.3 | F226 R290 | F226-D277 WeakPolarHBondContact CD1-O 3.48Å; D277-R290 VanDerWaalsContact CG-NE 3.27Å; D277-R290 IonicContact OD1-CZ 2.74Å; D277-R290 IonicContact OD1-NE 3.4Å; D277-R290 PolarHBondContact OD1-NE 3.28Å; D277-R290 IonicContact OD1-NH2 3.18Å; D277-R290 IonicContact OD2-CZ 3.49Å; D277-R290 IonicContact OD2-NE 3.19Å; D277-R290 PolarHBondContact OD2-NE 2.86Å; D277-R290 IonicContact OD2-NH2 4Å; D277-R290 PolarHBondContact OD2-NH2 2.86Å |
| 278 | G | 91.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -179.3 | -165.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F226 L276 R290 | F226-G278 VanDerWaalsContact CE1-CA 3.43Å; F226-G278 VanDerWaalsContact CE1-N 3.27Å; L276-G278 WeakPolarHBondContact CB-O 3.46Å; G278-R290 WeakPolarHBondContact O-CD 3.41Å |
| 279 | Y | 93.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | trans | -76.5 | 159.9 | -178.6 | -59.1 | -85.2 | 0 | 0 | 0 | 112.8 | F226 P227 Y228 D229 R232 L233 D236 L273 R290 | F226-Y279 AromaticContact CD2-CE2 3.97Å; F226-Y279 HydrophobicContact CD2-CE2 3.97Å; F226-Y279 HydrophobicContact CE2-CD2 4.11Å; F226-Y279 HydrophobicContact CE2-CE1 4.12Å; F226-Y279 AromaticContact CE2-CE2 3.58Å; F226-Y279 HydrophobicContact CE2-CE2 3.58Å; F226-Y279 AromaticContact CE2-CZ 3.57Å; P227-Y279 PolarHBondContact O-OH 3.25Å; Y228-Y279 WeakPolarHBondContact CA-OH 3.39Å; D229-Y279 PolarHBondContact N-OH 3.37Å; R232-Y279 HydrophobicContact CB-CD1 3.69Å; R232-Y279 HydrophobicContact CB-CD2 3.5Å; R232-Y279 HydrophobicContact CB-CE1 3.74Å; R232-Y279 HydrophobicContact CB-CE2 3.57Å; R232-Y279 HydrophobicContact CB-CG 3.58Å; R232-Y279 HydrophobicContact CG-CD2 4.06Å; R232-Y279 HydrophobicContact CG-CE2 4.01Å; L233-Y279 HydrophobicContact CB-CE1 4.29Å; D236-Y279 WeakPolarHBondContact OD2-CA 3.46Å; D236-Y279 WeakPolarHBondContact OD2-CB 3.45Å; L273-Y279 HydrophobicContact CD1-CD1 4.42Å; L273-Y279 HydrophobicContact CD2-CE1 4.4Å; Y279-R290 WeakPolarHBondContact O-CD 3.2Å; Y279-R290 PolarHBondContact O-NH1 2.84Å | ||
| 280 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -71.3 | -36.1 | 178.9 | -58.5 | 179.1 | 0 | 0 | 0 | 112.2 | D236 Y269 L276 N287 R290 Y294 | D236-L280 VanDerWaalsContact CG-N 3.31Å; D236-L280 WeakPolarHBondContact OD1-CA 3.5Å; D236-L280 WeakPolarHBondContact OD1-CB 3.38Å; D236-L280 PolarHBondContact OD1-N 3.39Å; D236-L280 VanDerWaalsContact OD1-N 3.09Å; D236-L280 PolarHBondContact OD2-N 2.83Å; Y269-L280 HydrophobicContact CD2-CD1 3.99Å; Y269-L280 HydrophobicContact CD2-CG 4.49Å; Y269-L280 HydrophobicContact CE2-CD1 4.17Å; Y269-L280 HydrophobicContact CE2-CG 4.29Å; L276-L280 HydrophobicContact CD1-CD2 3.73Å; L280-N287 WeakPolarHBondContact O-CB 3.49Å; L280-N287 PolarHBondContact O-N 3.37Å; L280-R290 HydrophobicContact CD2-CB 4.04Å; L280-Y294 HydrophobicContact CD1-CD1 4.31Å; L280-Y294 HydrophobicContact CD1-CD2 4.11Å; L280-Y294 HydrophobicContact CD1-CG 3.98Å |
| 281 | V | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.2 | 179 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | D235 D236 F239 Y285 L518 | D235-V281 HydrophobicContact CB-CB 4.11Å; D235-V281 HydrophobicContact CB-CG1 4.17Å; D236-V281 WeakPolarHBondContact OD1-CB 3.43Å; D236-V281 PolarHBondContact OD1-N 3.23Å; F239-V281 HydrophobicContact CB-CG2 3.63Å; F239-V281 HydrophobicContact CD1-CG2 3.95Å; F239-V281 HydrophobicContact CD2-CG2 4.41Å; F239-V281 HydrophobicContact CG-CG2 3.73Å; V281-Y285 CarbonylContact C-O 3.31Å; V281-Y285 WeakPolarHBondContact CA-O 2.94Å; V281-L518 HydrophobicContact CG1-CD1 4.49Å; V281-L518 HydrophobicContact CG1-CD2 4.27Å; V281-L518 HydrophobicContact CG2-CD1 4.16Å; V281-L518 HydrophobicContact CG2-CD2 4.03Å |
| 282 | E | 87.1 | Confident | 91.3 | Very high | 42 Ų | 42 | 21 Ų | 21 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 100.2 | 171.5 | -70.2 | -166.6 | -168.6 | 0 | 0 | 110.9 | G284 Y285 R290 F556 | E282-G284 VanDerWaalsContact C-N 3.26Å; E282-G284 PolarHBondContact O-N 3.45Å; E282-Y285 PolarHBondContact N-O 3.12Å; E282-Y285 WeakPolarHBondContact O-CB 3.46Å; E282-Y285 PolarHBondContact O-N 3.38Å; E282-R290 IonicContact OE1-CZ 2.74Å; E282-R290 IonicContact OE1-NH1 2.97Å; E282-R290 PolarHBondContact OE1-NH1 3.27Å; E282-R290 IonicContact OE1-NH2 3.83Å; E282-R290 PolarHBondContact OE1-NH2 2.91Å; E282-F556 HydrophobicContact CB-CD1 4.4Å; E282-F556 HydrophobicContact CB-CE1 3.66Å; E282-F556 HydrophobicContact CB-CZ 4.3Å; E282-F556 HydrophobicContact CG-CE1 4.2Å; E282-F556 WeakPolarHBondContact OE2-CD1 3.48Å |
| 283 | L | 82.8 | Confident | 91.3 | Very high | 15 Ų | 15 | 25.1 Ų | 25.1 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 34.1 | 171.9 | -51.9 | 168.2 | 0 | 0 | 0 | 113.2 | E694 L697 Y701 | L283-E694 HydrophobicContact CD1-CB 4.01Å; L283-E694 HydrophobicContact CD1-CG 4.32Å; L283-L697 HydrophobicContact CB-CD1 4.19Å; L283-L697 HydrophobicContact CD2-CB 3.94Å; L283-Y701 HydrophobicContact CD2-CD1 4.5Å; L283-Y701 HydrophobicContact CD2-CE1 4.26Å |
| 284 | G | 85.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -1.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E282 Q515 L518 | E282-G284 VanDerWaalsContact C-N 3.26Å; E282-G284 PolarHBondContact O-N 3.45Å; G284-Q515 PolarHBondContact O-NE2 3.37Å; G284-L518 VanDerWaalsContact O-CB 3.29Å; G284-L518 WeakPolarHBondContact O-CB 3.44Å |
| 285 | Y | 88.7 | Confident | 91.3 | Very high | 52 Ų | 52 | 23.3 Ų | 23.3 | 20% | 0.204 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.7 | 178.2 | -53.9 | -53 | 0 | 0 | 0 | 112.5 | V281 E282 L523 L561 E694 | V281-Y285 CarbonylContact C-O 3.31Å; V281-Y285 WeakPolarHBondContact CA-O 2.94Å; E282-Y285 PolarHBondContact N-O 3.12Å; E282-Y285 WeakPolarHBondContact O-CB 3.46Å; E282-Y285 PolarHBondContact O-N 3.38Å; Y285-L523 HydrophobicContact CD1-CD1 4.23Å; Y285-L523 HydrophobicContact CE1-CD1 3.44Å; Y285-L523 VanDerWaalsContact CE1-CD1 3.44Å; Y285-L523 HydrophobicContact CE2-CD1 4.47Å; Y285-L561 HydrophobicContact CD1-CD2 4.07Å; Y285-L561 HydrophobicContact CE1-CD1 3.92Å; Y285-L561 HydrophobicContact CE1-CD2 4.27Å; Y285-L561 HydrophobicContact CE1-CG 4.39Å; Y285-E694 HydrophobicContact CE2-CG 4.12Å |
| 286 | L | 92 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.7 | -176.9 | -176 | 57.6 | 0 | 0 | 0 | 111.4 | F239 L288 F291 L518 F556 | F239-L286 HydrophobicContact CD1-CD1 4.34Å; F239-L286 HydrophobicContact CE1-CD1 3.59Å; F239-L286 HydrophobicContact CE2-CD1 4.05Å; F239-L286 HydrophobicContact CE2-CD2 4.3Å; F239-L286 HydrophobicContact CZ-CD1 3.42Å; F239-L286 VanDerWaalsContact CZ-CD1 3.42Å; F239-L286 HydrophobicContact CZ-CD2 3.96Å; F239-L286 HydrophobicContact CZ-CG 4.35Å; L286-L288 HydrophobicContact CD2-CD2 3.89Å; L286-L288 HydrophobicContact CG-CD2 4.05Å; L286-L288 PolarHBondContact O-N 3.11Å; L286-F291 HydrophobicContact CD1-CB 3.96Å; L286-F291 HydrophobicContact CD1-CD1 4.31Å; L286-F291 HydrophobicContact CD1-CD2 4.24Å; L286-F291 HydrophobicContact CD1-CG 3.92Å; L286-F291 HydrophobicContact CD2-CD1 3.78Å; L286-F291 HydrophobicContact CD2-CE1 4.01Å; L286-F291 HydrophobicContact CD2-CG 4.25Å; L286-F291 HydrophobicContact CG-CB 4.33Å; L286-F291 HydrophobicContact CG-CD1 4.26Å; L286-F291 HydrophobicContact CG-CG 4.31Å; L286-L518 HydrophobicContact CB-CD1 3.77Å; L286-F556 WeakPolarHBondContact O-CE2 3.2Å |
| 287 | N | 91.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -75 | 87.9 | 174.1 | -169.5 | -54.1 | 0 | 0 | 0 | 110.1 | L280 P289 R290 F291 F556 | L280-N287 WeakPolarHBondContact O-CB 3.49Å; L280-N287 PolarHBondContact O-N 3.37Å; N287-P289 VanDerWaalsContact OD1-CD 3.24Å; N287-P289 WeakPolarHBondContact OD1-CD 3.02Å; N287-R290 HydrophobicContact CB-CB 4.25Å; N287-R290 HydrophobicContact CB-CG 4.44Å; N287-R290 PolarHBondContact ND2-NE 2.91Å; N287-R290 PolarHBondContact ND2-NH1 3.08Å; N287-R290 PolarHBondContact O-N 2.95Å; N287-R290 VanDerWaalsContact O-N 3.1Å; N287-R290 VanDerWaalsContact OD1-CG 3.31Å; N287-R290 WeakPolarHBondContact OD1-CG 3.39Å; N287-R290 PolarHBondContact OD1-N 3.13Å; N287-R290 VanDerWaalsContact OD1-N 3.11Å; N287-F291 WeakPolarHBondContact O-CB 3.36Å; N287-F291 PolarHBondContact O-N 3.2Å; N287-F556 HydrophobicContact CB-CD2 4.13Å; N287-F556 HydrophobicContact CB-CE2 4.02Å; N287-F556 HydrophobicContact CB-CZ 4.46Å | ||
| 288 | L | 91.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -54.4 | -40.2 | -178.4 | -62.7 | 176.7 | 0 | 0 | 0 | 114.7 | L286 R290 F291 H292 I511 F550 W563 | L286-L288 HydrophobicContact CD2-CD2 3.89Å; L286-L288 HydrophobicContact CG-CD2 4.05Å; L286-L288 PolarHBondContact O-N 3.11Å; L288-R290 PolarHBondContact O-N 2.82Å; L288-F291 HydrophobicContact CD2-CD1 4.4Å; L288-F291 PolarHBondContact O-N 2.86Å; L288-H292 WeakPolarHBondContact O-CB 3.18Å; L288-H292 PolarHBondContact O-N 2.87Å; L288-I511 HydrophobicContact CD2-CG2 3.93Å; L288-F550 HydrophobicContact CB-CB 3.93Å; L288-F550 HydrophobicContact CB-CD2 4.06Å; L288-F550 HydrophobicContact CB-CG 3.95Å; L288-F550 HydrophobicContact CD1-CD1 4.08Å; L288-F550 HydrophobicContact CD1-CD2 3.74Å; L288-F550 HydrophobicContact CD1-CE1 3.88Å; L288-F550 HydrophobicContact CD1-CE2 3.52Å; L288-F550 HydrophobicContact CD1-CG 4Å; L288-F550 HydrophobicContact CD1-CZ 3.58Å; L288-W563 HydrophobicContact CD1-CD2 3.94Å; L288-W563 HydrophobicContact CD1-CE3 4.21Å; L288-W563 HydrophobicContact CD1-CG 4.49Å; L288-W563 HydrophobicContact CD1-CH2 4.12Å; L288-W563 HydrophobicContact CD1-CZ2 3.85Å; L288-W563 HydrophobicContact CD1-CZ3 4.31Å; L288-W563 HydrophobicContact CD2-CH2 4.28Å; L288-W563 HydrophobicContact CD2-CZ2 4.43Å; L288-W563 HydrophobicContact CG-CZ2 4.29Å |
| 289 | P | 90.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 11% | 0.11 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 172.1 | -20.9 | 25 | 0 | 0 | 0 | 114 | N287 F550 C553 | N287-P289 VanDerWaalsContact OD1-CD 3.24Å; N287-P289 WeakPolarHBondContact OD1-CD 3.02Å; P289-F550 WeakPolarHBondContact CG-O 3.38Å; P289-C553 HydrophobicContact CG-CB 4.3Å; P289-C553 WeakPolarHBondContact CG-O 3.15Å |
| 290 | R | 93 | Very high | 91.1 | Very high | 14 Ų | 14 | 20.7 Ų | 20.7 | 5% | 0.053 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -76 | -39.7 | 178.7 | -67.3 | 177.1 | -166.1 | 146.2 | 9.4 | 112.3 | L276 D277 G278 Y279 L280 E282 N287 L288 H292 K293 Y294 | L276-R290 HydrophobicContact CB-CG 4.47Å; L276-R290 HydrophobicContact CD1-CB 3.9Å; L276-R290 HydrophobicContact CD1-CG 4.25Å; L276-R290 HydrophobicContact CD2-CB 4.11Å; L276-R290 HydrophobicContact CD2-CG 4.14Å; D277-R290 VanDerWaalsContact CG-NE 3.27Å; D277-R290 IonicContact OD1-CZ 2.74Å; D277-R290 IonicContact OD1-NE 3.4Å; D277-R290 PolarHBondContact OD1-NE 3.28Å; D277-R290 IonicContact OD1-NH2 3.18Å; D277-R290 IonicContact OD2-CZ 3.49Å; D277-R290 IonicContact OD2-NE 3.19Å; D277-R290 PolarHBondContact OD2-NE 2.86Å; D277-R290 IonicContact OD2-NH2 4Å; D277-R290 PolarHBondContact OD2-NH2 2.86Å; G278-R290 WeakPolarHBondContact O-CD 3.41Å; Y279-R290 WeakPolarHBondContact O-CD 3.2Å; Y279-R290 PolarHBondContact O-NH1 2.84Å; L280-R290 HydrophobicContact CD2-CB 4.04Å; E282-R290 IonicContact OE1-CZ 2.74Å; E282-R290 IonicContact OE1-NH1 2.97Å; E282-R290 PolarHBondContact OE1-NH1 3.27Å; E282-R290 IonicContact OE1-NH2 3.83Å; E282-R290 PolarHBondContact OE1-NH2 2.91Å; N287-R290 HydrophobicContact CB-CB 4.25Å; N287-R290 HydrophobicContact CB-CG 4.44Å; N287-R290 PolarHBondContact ND2-NE 2.91Å; N287-R290 PolarHBondContact ND2-NH1 3.08Å; N287-R290 PolarHBondContact O-N 2.95Å; N287-R290 VanDerWaalsContact O-N 3.1Å; N287-R290 VanDerWaalsContact OD1-CG 3.31Å; N287-R290 WeakPolarHBondContact OD1-CG 3.39Å; N287-R290 PolarHBondContact OD1-N 3.13Å; N287-R290 VanDerWaalsContact OD1-N 3.11Å; L288-R290 PolarHBondContact O-N 2.82Å; R290-H292 VanDerWaalsContact C-N 3.27Å; R290-H292 PolarHBondContact O-N 2.92Å; R290-K293 PolarHBondContact O-N 3.47Å; R290-Y294 PolarHBondContact O-N 2.97Å |
| 291 | F | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.7 | -30.1 | 176 | -176.8 | -123.8 | 0 | 0 | 0 | 112.5 | F239 L243 L286 N287 L288 Y294 L295 L514 T547 | F239-F291 AromaticContact CE1-CD2 3.72Å; F239-F291 HydrophobicContact CE1-CD2 3.72Å; F239-F291 AromaticContact CE1-CE2 3.61Å; F239-F291 HydrophobicContact CE1-CE2 3.61Å; F239-F291 HydrophobicContact CE1-CZ 4.39Å; F239-F291 AromaticContact CZ-CD2 3.93Å; F239-F291 HydrophobicContact CZ-CD2 3.93Å; F239-F291 AromaticContact CZ-CE2 3.56Å; F239-F291 HydrophobicContact CZ-CE2 3.56Å; F239-F291 AromaticContact CZ-CZ 3.87Å; F239-F291 HydrophobicContact CZ-CZ 3.87Å; L243-F291 HydrophobicContact CD1-CE2 4.26Å; L243-F291 HydrophobicContact CD2-CE2 4.45Å; L243-F291 HydrophobicContact CD2-CZ 4.24Å; L286-F291 HydrophobicContact CD1-CB 3.96Å; L286-F291 HydrophobicContact CD1-CD1 4.31Å; L286-F291 HydrophobicContact CD1-CD2 4.24Å; L286-F291 HydrophobicContact CD1-CG 3.92Å; L286-F291 HydrophobicContact CD2-CD1 3.78Å; L286-F291 HydrophobicContact CD2-CE1 4.01Å; L286-F291 HydrophobicContact CD2-CG 4.25Å; L286-F291 HydrophobicContact CG-CB 4.33Å; L286-F291 HydrophobicContact CG-CD1 4.26Å; L286-F291 HydrophobicContact CG-CG 4.31Å; N287-F291 WeakPolarHBondContact O-CB 3.36Å; N287-F291 PolarHBondContact O-N 3.2Å; L288-F291 HydrophobicContact CD2-CD1 4.4Å; L288-F291 PolarHBondContact O-N 2.86Å; F291-Y294 HydrophobicContact CD2-CD1 4.05Å; F291-Y294 HydrophobicContact CE2-CD1 4.04Å; F291-Y294 PolarHBondContact O-N 3.35Å; F291-L295 HydrophobicContact CD1-CD1 3.91Å; F291-L295 HydrophobicContact CD1-CG 4.38Å; F291-L295 HydrophobicContact CD2-CG 4.4Å; F291-L295 HydrophobicContact CE1-CD1 3.62Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CE1-CG 4.07Å; F291-L295 HydrophobicContact CE2-CD2 4.09Å; F291-L295 HydrophobicContact CE2-CG 4.07Å; F291-L295 HydrophobicContact CG-CD1 4.5Å; F291-L295 HydrophobicContact CZ-CD1 3.95Å; F291-L295 HydrophobicContact CZ-CD2 3.79Å; F291-L295 HydrophobicContact CZ-CG 3.9Å; F291-L295 WeakPolarHBondContact O-CG 3.44Å; F291-L295 PolarHBondContact O-N 2.81Å; F291-L514 HydrophobicContact CE1-CD1 4.14Å; F291-L514 HydrophobicContact CZ-CD1 3.98Å; F291-T547 HydrophobicContact CD1-CG2 4.23Å |
| 292 | H | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.5 | -55 | 171.4 | -174.8 | 54.8 | 0 | 0 | 0 | 111.6 | L288 R290 Y294 L295 E296 T547 K548 | L288-H292 WeakPolarHBondContact O-CB 3.18Å; L288-H292 PolarHBondContact O-N 2.87Å; R290-H292 VanDerWaalsContact C-N 3.27Å; R290-H292 PolarHBondContact O-N 2.92Å; H292-Y294 PolarHBondContact O-N 3.11Å; H292-L295 WeakPolarHBondContact O-CB 3.25Å; H292-L295 PolarHBondContact O-N 2.79Å; H292-E296 IonicContact NE2-OE1 3.98Å; H292-E296 PolarHBondContact O-N 2.86Å; H292-T547 WeakPolarHBondContact ND1-CB 3.4Å; H292-T547 PolarHBondContact ND1-OG1 2.73Å; H292-K548 WeakPolarHBondContact CE1-CA 3.35Å; H292-K548 VanDerWaalsContact CE1-CB 3.47Å; H292-K548 WeakPolarHBondContact CE1-CB 3.47Å; H292-K548 PolarHBondContact CE1-N 2.98Å; H292-K548 PolarHBondContact ND1-N 2.93Å |
| 293 | K | 93.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 23.8 Ų | 23.8 | 39% | 0.387 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -59.1 | -34.9 | 177.5 | -64.9 | 176.9 | 174.2 | -178.3 | 0 | 112.8 | L276 R290 E296 E297 | L276-K293 HydrophobicContact CD2-CB 4.12Å; L276-K293 HydrophobicContact CD2-CD 3.62Å; L276-K293 HydrophobicContact CD2-CG 4.48Å; R290-K293 PolarHBondContact O-N 3.47Å; K293-E296 PolarHBondContact O-N 3.12Å; K293-E297 PolarHBondContact O-N 2.75Å |
| 294 | Y | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 174.1 | -179 | -98.7 | 0 | 0 | 0 | 112.6 | M240 L243 V265 T268 V272 L280 R290 F291 H292 L298 | M240-Y294 HydrophobicContact SD-CE2 4.42Å; L243-Y294 HydrophobicContact CD1-CE1 3.93Å; V265-Y294 WeakPolarHBondContact CG1-OH 3.47Å; V265-Y294 PolarHBondContact O-OH 2.92Å; T268-Y294 HydrophobicContact CG2-CD2 3.96Å; T268-Y294 HydrophobicContact CG2-CE2 3.61Å; V272-Y294 HydrophobicContact CB-CD2 4.33Å; V272-Y294 HydrophobicContact CG1-CD2 4.43Å; V272-Y294 HydrophobicContact CG2-CD2 4.47Å; L280-Y294 HydrophobicContact CD1-CD1 4.31Å; L280-Y294 HydrophobicContact CD1-CD2 4.11Å; L280-Y294 HydrophobicContact CD1-CG 3.98Å; R290-Y294 PolarHBondContact O-N 2.97Å; F291-Y294 HydrophobicContact CD2-CD1 4.05Å; F291-Y294 HydrophobicContact CE2-CD1 4.04Å; F291-Y294 PolarHBondContact O-N 3.35Å; H292-Y294 PolarHBondContact O-N 3.11Å; Y294-L298 HydrophobicContact CE1-CD2 3.97Å; Y294-L298 VanDerWaalsContact O-CB 3.31Å; Y294-L298 WeakPolarHBondContact O-CB 3.4Å; Y294-L298 PolarHBondContact O-N 3.21Å |
| 295 | L | 94.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -35.5 | 174.3 | -70.2 | 170 | 0 | 0 | 0 | 112.7 | F291 H292 L298 S299 V540 L543 I544 T547 | F291-L295 HydrophobicContact CD1-CD1 3.91Å; F291-L295 HydrophobicContact CD1-CG 4.38Å; F291-L295 HydrophobicContact CD2-CG 4.4Å; F291-L295 HydrophobicContact CE1-CD1 3.62Å; F291-L295 HydrophobicContact CE1-CD2 4.33Å; F291-L295 HydrophobicContact CE1-CG 4.07Å; F291-L295 HydrophobicContact CE2-CD2 4.09Å; F291-L295 HydrophobicContact CE2-CG 4.07Å; F291-L295 HydrophobicContact CG-CD1 4.5Å; F291-L295 HydrophobicContact CZ-CD1 3.95Å; F291-L295 HydrophobicContact CZ-CD2 3.79Å; F291-L295 HydrophobicContact CZ-CG 3.9Å; F291-L295 WeakPolarHBondContact O-CG 3.44Å; F291-L295 PolarHBondContact O-N 2.81Å; H292-L295 WeakPolarHBondContact O-CB 3.25Å; H292-L295 PolarHBondContact O-N 2.79Å; L295-L298 PolarHBondContact O-N 2.72Å; L295-S299 VanDerWaalsContact O-CB 3.26Å; L295-S299 WeakPolarHBondContact O-CB 3.5Å; L295-S299 PolarHBondContact O-N 3.25Å; L295-V540 HydrophobicContact CD2-CG1 3.8Å; L295-L543 HydrophobicContact CD1-CB 3.71Å; L295-L543 HydrophobicContact CD2-CB 4.11Å; L295-L543 HydrophobicContact CD2-CD1 3.84Å; L295-I544 HydrophobicContact CB-CG1 4.09Å; L295-T547 HydrophobicContact CD1-CG2 3.76Å |
| 296 | E | 93.2 | Very high | 89.2 | Confident | 69 Ų | 69 | 25.1 Ų | 25.1 | 32% | 0.322 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 176.3 | -70.6 | -177 | 117 | 0 | 0 | 111.7 | H292 K293 S299 Q300 I544 | H292-E296 IonicContact NE2-OE1 3.98Å; H292-E296 PolarHBondContact O-N 2.86Å; K293-E296 PolarHBondContact O-N 3.12Å; E296-S299 PolarHBondContact O-N 2.85Å; E296-S299 PolarHBondContact O-OG 3.24Å; E296-Q300 PolarHBondContact O-NE2 2.83Å; E296-I544 HydrophobicContact CG-CD1 4.29Å; E296-I544 HydrophobicContact CG-CG2 4.47Å |
| 297 | E | 93.1 | Very high | 88.6 | Confident | 35 Ų | 35 | 27.5 Ų | 27.5 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.7 | -46.1 | 176.4 | -154.2 | 103.1 | -163.7 | 0 | 0 | 111.5 | T268 V271 V272 K275 K293 S299 Q300 F301 | T268-E297 HydrophobicContact CG2-CB 3.75Å; T268-E297 HydrophobicContact CG2-CG 3.99Å; V271-E297 HydrophobicContact CG1-CG 4.41Å; V271-E297 WeakPolarHBondContact CG1-OE1 3.25Å; V272-E297 HydrophobicContact CG2-CB 3.5Å; V272-E297 VanDerWaalsContact CG2-CB 3.5Å; V272-E297 HydrophobicContact CG2-CG 3.74Å; V272-E297 WeakPolarHBondContact CG2-OE2 3.43Å; K275-E297 IonicContact NZ-OE1 3.18Å; K275-E297 PolarHBondContact NZ-OE1 2.77Å; K275-E297 IonicContact NZ-OE2 2.72Å; K275-E297 PolarHBondContact NZ-OE2 2.74Å; K293-E297 PolarHBondContact O-N 2.75Å; E297-S299 PolarHBondContact O-N 2.84Å; E297-Q300 WeakPolarHBondContact O-CB 3.42Å; E297-Q300 PolarHBondContact O-N 3.12Å; E297-F301 HydrophobicContact CG-CE2 4.32Å; E297-F301 WeakPolarHBondContact O-CD2 3.26Å; E297-F301 PolarHBondContact O-N 2.88Å |
| 298 | L | 92.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -29.9 | 178.1 | -170.7 | 63.1 | 0 | 0 | 0 | 112.2 | L255 V265 T268 Y294 L295 Q300 F301 E302 V540 | L255-L298 HydrophobicContact CD1-CD2 4.22Å; V265-L298 HydrophobicContact CG2-CD1 4.12Å; T268-L298 HydrophobicContact CG2-CB 4.04Å; T268-L298 HydrophobicContact CG2-CD1 4.46Å; Y294-L298 HydrophobicContact CE1-CD2 3.97Å; Y294-L298 VanDerWaalsContact O-CB 3.31Å; Y294-L298 WeakPolarHBondContact O-CB 3.4Å; Y294-L298 PolarHBondContact O-N 3.21Å; L295-L298 PolarHBondContact O-N 2.72Å; L298-Q300 VanDerWaalsContact C-N 3.29Å; L298-Q300 PolarHBondContact O-N 2.79Å; L298-F301 PolarHBondContact O-N 2.86Å; L298-E302 PolarHBondContact O-N 3.23Å; L298-V540 HydrophobicContact CB-CG1 3.85Å; L298-V540 HydrophobicContact CD2-CG1 3.94Å; L298-V540 HydrophobicContact CD2-CG2 4.1Å; L298-V540 HydrophobicContact CG-CG1 3.85Å; L298-V540 HydrophobicContact CG-CG2 4.21Å |
| 299 | S | 91.2 | Very high | 87 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.9 | -23.9 | 175.6 | 83.1 | 0 | 0 | 0 | 0 | 113.5 | L295 E296 E297 R303 | L295-S299 VanDerWaalsContact O-CB 3.26Å; L295-S299 WeakPolarHBondContact O-CB 3.5Å; L295-S299 PolarHBondContact O-N 3.25Å; E296-S299 PolarHBondContact O-N 2.85Å; E296-S299 PolarHBondContact O-OG 3.24Å; E297-S299 PolarHBondContact O-N 2.84Å; S299-R303 VanDerWaalsContact C-NH1 3.26Å; S299-R303 WeakPolarHBondContact O-CG 3.11Å; S299-R303 PolarHBondContact O-N 3.36Å; S299-R303 PolarHBondContact O-NH1 3.4Å; S299-R303 PolarHBondContact OG-NH1 3.36Å |
| 300 | Q | 86.6 | Confident | 86 | Confident | 86 Ų | 86 | 34.6 Ų | 34.6 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.3 | -55.6 | 173.7 | -67.1 | 165.7 | 59.6 | 0 | 0 | 107.8 | E296 E297 L298 E302 R303 D304 | E296-Q300 PolarHBondContact O-NE2 2.83Å; E297-Q300 WeakPolarHBondContact O-CB 3.42Å; E297-Q300 PolarHBondContact O-N 3.12Å; L298-Q300 VanDerWaalsContact C-N 3.29Å; L298-Q300 PolarHBondContact O-N 2.79Å; Q300-E302 PolarHBondContact O-N 3.3Å; Q300-E302 VanDerWaalsContact O-N 3.08Å; Q300-R303 WeakPolarHBondContact O-CA 3.34Å; Q300-R303 WeakPolarHBondContact O-CB 3.37Å; Q300-R303 PolarHBondContact O-N 2.58Å; Q300-D304 PolarHBondContact O-N 2.88Å |
| 301 | F | 83 | Confident | 85 | Confident | 50 Ų | 50 | 36 Ų | 36 | 22% | 0.219 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.4 | -32.1 | 173.2 | -68.4 | -72.2 | 0 | 0 | 0 | 114.4 | T264 T268 E297 L298 W305 | T264-F301 HydrophobicContact CG2-CB 3.64Å; T264-F301 HydrophobicContact CG2-CD1 3.99Å; T264-F301 HydrophobicContact CG2-CD2 4.46Å; T264-F301 HydrophobicContact CG2-CG 3.8Å; T268-F301 HydrophobicContact CG2-CD2 4.48Å; T268-F301 HydrophobicContact CG2-CE2 4.5Å; T268-F301 VanDerWaalsContact OG1-CD2 3.27Å; T268-F301 WeakPolarHBondContact OG1-CD2 3.26Å; T268-F301 WeakPolarHBondContact OG1-CE2 3.07Å; E297-F301 HydrophobicContact CG-CE2 4.32Å; E297-F301 WeakPolarHBondContact O-CD2 3.26Å; E297-F301 PolarHBondContact O-N 2.88Å; L298-F301 PolarHBondContact O-N 2.86Å; F301-W305 WeakPolarHBondContact O-CB 3.36Å; F301-W305 PolarHBondContact O-N 2.93Å; F301-W305 VanDerWaalsContact O-N 3.1Å |
| 302 | E | 85.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 172.3 | -179.5 | 179.4 | -120.3 | 0 | 0 | 113.1 | L298 Q300 F306 Y474 F539 V540 H541 | L298-E302 PolarHBondContact O-N 3.23Å; Q300-E302 PolarHBondContact O-N 3.3Å; Q300-E302 VanDerWaalsContact O-N 3.08Å; E302-F306 WeakPolarHBondContact O-CB 3.15Å; E302-F306 PolarHBondContact O-N 3.36Å; E302-Y474 VanDerWaalsContact CD-OH 3.25Å; E302-Y474 PolarHBondContact OE2-OH 3.48Å; E302-F539 WeakPolarHBondContact OE1-CA 3.4Å; E302-F539 WeakPolarHBondContact OE1-CB 3.41Å; E302-V540 HydrophobicContact CB-CB 4.47Å; E302-V540 WeakPolarHBondContact OE1-CG2 3.36Å; E302-V540 PolarHBondContact OE1-N 3.02Å; E302-V540 WeakPolarHBondContact OE2-CB 3.08Å; E302-V540 PolarHBondContact OE2-N 3.38Å; E302-H541 WeakPolarHBondContact OE2-CB 3.43Å; E302-H541 PolarHBondContact OE2-N 3.03Å |
| 303 | R | 83 | Confident | 82.4 | Confident | 56 Ų | 56 | 42.5 Ų | 42.5 | 21% | 0.211 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.3 | -55.7 | 177.4 | -69.3 | -171.9 | -57.7 | -87.4 | 16.9 | 111.2 | S299 Q300 W305 F306 E307 Y474 | S299-R303 VanDerWaalsContact C-NH1 3.26Å; S299-R303 WeakPolarHBondContact O-CG 3.11Å; S299-R303 PolarHBondContact O-N 3.36Å; S299-R303 PolarHBondContact O-NH1 3.4Å; S299-R303 PolarHBondContact OG-NH1 3.36Å; Q300-R303 WeakPolarHBondContact O-CA 3.34Å; Q300-R303 WeakPolarHBondContact O-CB 3.37Å; Q300-R303 PolarHBondContact O-N 2.58Å; R303-W305 PolarHBondContact O-N 3.49Å; R303-W305 VanDerWaalsContact O-N 3.14Å; R303-F306 WeakPolarHBondContact O-CA 3.39Å; R303-F306 WeakPolarHBondContact O-CB 3.46Å; R303-F306 PolarHBondContact O-N 2.88Å; R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 3.31Å; R303-Y474 HydrophobicContact CG-CD1 3.76Å; R303-Y474 HydrophobicContact CG-CE1 3.55Å; R303-Y474 HydrophobicContact CG-CG 4.33Å |
| 304 | D | 81.5 | Confident | 81.3 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -47.9 | -48.1 | 177.6 | -56.9 | 12.5 | 0 | 0 | 0 | 110.6 | Q300 F306 E307 E308 Q1806 | Q300-D304 PolarHBondContact O-N 2.88Å; D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 2.69Å; D304-E307 PolarHBondContact O-N 2.66Å; D304-E308 WeakPolarHBondContact O-CB 3.22Å; D304-E308 WeakPolarHBondContact O-CG 3.29Å; D304-E308 PolarHBondContact O-N 3.01Å; D304-Q1806 PolarHBondContact OD2-NE2 3.15Å |
| 305 | W | 77.4 | Confident | 80.2 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 179.9 | -179 | 102.9 | 0 | 0 | 0 | 113.3 | N254 A259 F301 R303 R309 R1809 | N254-W305 HydrophobicContact CB-CE3 3.77Å; N254-W305 HydrophobicContact CB-CH2 3.99Å; N254-W305 HydrophobicContact CB-CZ3 3.47Å; N254-W305 VanDerWaalsContact CB-CZ3 3.47Å; N254-W305 VanDerWaalsContact CG-CZ3 3.47Å; N254-W305 WeakPolarHBondContact O-CH2 3.12Å; N254-W305 WeakPolarHBondContact O-CZ2 3.19Å; N254-W305 WeakPolarHBondContact OD1-CZ3 3.46Å; A259-W305 HydrophobicContact CB-CZ2 3.91Å; F301-W305 WeakPolarHBondContact O-CB 3.36Å; F301-W305 PolarHBondContact O-N 2.93Å; F301-W305 VanDerWaalsContact O-N 3.1Å; R303-W305 PolarHBondContact O-N 3.49Å; R303-W305 VanDerWaalsContact O-N 3.14Å; W305-R309 VanDerWaalsContact CH2-CD 3.49Å; W305-R309 WeakPolarHBondContact O-CB 3.2Å; W305-R309 PolarHBondContact O-N 2.87Å; W305-R1809 PolarHBondContact O-NH2 2.6Å |
| 306 | F | 78.7 | Confident | 78.4 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 4% | 0.044 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -45.3 | 177.5 | 169.7 | -91.8 | 0 | 0 | 0 | 110.8 | E302 R303 D304 R309 E310 V473 Y474 H477 | E302-F306 WeakPolarHBondContact O-CB 3.15Å; E302-F306 PolarHBondContact O-N 3.36Å; R303-F306 WeakPolarHBondContact O-CA 3.39Å; R303-F306 WeakPolarHBondContact O-CB 3.46Å; R303-F306 PolarHBondContact O-N 2.88Å; D304-F306 VanDerWaalsContact C-N 3.33Å; D304-F306 PolarHBondContact O-N 2.69Å; F306-R309 CarbonylContact O-C 3.21Å; F306-R309 WeakPolarHBondContact O-CA 3.42Å; F306-R309 WeakPolarHBondContact O-CB 3.48Å; F306-R309 PolarHBondContact O-N 3.01Å; F306-E310 HydrophobicContact CE1-CG 4.24Å; F306-E310 HydrophobicContact CE2-CG 4Å; F306-E310 HydrophobicContact CZ-CG 3.76Å; F306-E310 PolarHBondContact O-N 3.16Å; F306-V473 HydrophobicContact CE1-CG1 4.02Å; F306-V473 HydrophobicContact CZ-CG1 4.11Å; F306-Y474 HydrophobicContact CB-CD2 4.33Å; F306-Y474 HydrophobicContact CB-CE2 4.44Å; F306-Y474 AromaticContact CD1-CD2 3.57Å; F306-Y474 HydrophobicContact CD1-CD2 3.57Å; F306-Y474 HydrophobicContact CD1-CE2 4.44Å; F306-Y474 HydrophobicContact CD1-CG 4.33Å; F306-Y474 HydrophobicContact CD2-CD2 4.42Å; F306-Y474 AromaticContact CE1-CD2 3.94Å; F306-Y474 HydrophobicContact CE1-CD2 3.94Å; F306-Y474 AromaticContact CG-CD2 3.84Å; F306-Y474 HydrophobicContact CG-CD2 3.84Å; F306-Y474 HydrophobicContact CG-CE2 4.29Å; F306-H477 AromaticContact CD2-ND1 3.87Å; F306-H477 HydrophobicContact CE1-CB 4.46Å; F306-H477 HydrophobicContact CE2-CB 3.79Å; F306-H477 AromaticContact CE2-CD2 3.72Å; F306-H477 AromaticContact CE2-CE1 3.8Å; F306-H477 AromaticContact CE2-CG 3.37Å; F306-H477 AromaticContact CE2-ND1 3.43Å; F306-H477 WeakPolarHBondContact CE2-ND1 3.49Å; F306-H477 AromaticContact CE2-NE2 3.98Å; F306-H477 HydrophobicContact CZ-CB 3.55Å; F306-H477 AromaticContact CZ-CG 3.71Å |
| 307 | E | 78.4 | Confident | 77.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -52.1 | -179.4 | -65.6 | 165.2 | -165.8 | 0 | 0 | 110.9 | R303 D304 R309 E310 A311 D470 | R303-E307 WeakPolarHBondContact O-CG 3.4Å; R303-E307 PolarHBondContact O-N 3.31Å; D304-E307 PolarHBondContact O-N 2.66Å; E307-R309 PolarHBondContact O-N 3.12Å; E307-E310 PolarHBondContact O-N 2.61Å; E307-A311 VanDerWaalsContact O-CB 3.29Å; E307-A311 WeakPolarHBondContact O-CB 3.39Å; E307-A311 PolarHBondContact O-N 3.48Å; E307-D470 HydrophobicContact CG-CB 4.12Å |
| 308 | E | 75.6 | Confident | 75.7 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 24% | 0.243 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.5 | -29.5 | 171.1 | -73.4 | -175.7 | 102.9 | 0 | 0 | 112.5 | D304 A312 R1809 | D304-E308 WeakPolarHBondContact O-CB 3.22Å; D304-E308 WeakPolarHBondContact O-CG 3.29Å; D304-E308 PolarHBondContact O-N 3.01Å; E308-A312 WeakPolarHBondContact O-CB 3.22Å; E308-A312 PolarHBondContact O-N 2.67Å; E308-A312 VanDerWaalsContact O-N 3.11Å; E308-R1809 VanDerWaalsContact CB-NH1 3.31Å; E308-R1809 VanDerWaalsContact CD-CZ 3.45Å; E308-R1809 PolarHBondContact O-NH1 3.01Å; E308-R1809 WeakPolarHBondContact OE1-CD 3.44Å; E308-R1809 IonicContact OE1-CZ 3.8Å; E308-R1809 IonicContact OE1-NE 3.46Å; E308-R1809 PolarHBondContact OE1-NE 3.22Å; E308-R1809 IonicContact OE2-CZ 2.75Å; E308-R1809 IonicContact OE2-NE 2.61Å; E308-R1809 PolarHBondContact OE2-NE 3.35Å; E308-R1809 IonicContact OE2-NH2 3.14Å; E308-R1809 PolarHBondContact OE2-NH2 2.85Å |
| 309 | R | 73.9 | Confident | 74.5 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -86.7 | -41.3 | -175.3 | -175.8 | -179.1 | -175.4 | 113.7 | -9.2 | 112.3 | W305 F306 E307 A311 A312 F313 | W305-R309 VanDerWaalsContact CH2-CD 3.49Å; W305-R309 WeakPolarHBondContact O-CB 3.2Å; W305-R309 PolarHBondContact O-N 2.87Å; F306-R309 CarbonylContact O-C 3.21Å; F306-R309 WeakPolarHBondContact O-CA 3.42Å; F306-R309 WeakPolarHBondContact O-CB 3.48Å; F306-R309 PolarHBondContact O-N 3.01Å; E307-R309 PolarHBondContact O-N 3.12Å; R309-A311 VanDerWaalsContact C-N 3.32Å; R309-A312 PolarHBondContact O-N 2.89Å; R309-F313 HydrophobicContact CG-CD2 4.09Å; R309-F313 HydrophobicContact CG-CE2 3.95Å; R309-F313 VanDerWaalsContact O-CD2 3.3Å; R309-F313 WeakPolarHBondContact O-CD2 3.47Å; R309-F313 PolarHBondContact O-N 2.92Å |
| 310 | E | 70.9 | Confident | 73 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 169.2 | -79.8 | -57.3 | 108.1 | 0 | 0 | 110.7 | F306 E307 A312 F313 R314 | F306-E310 HydrophobicContact CE1-CG 4.24Å; F306-E310 HydrophobicContact CE2-CG 4Å; F306-E310 HydrophobicContact CZ-CG 3.76Å; F306-E310 PolarHBondContact O-N 3.16Å; E307-E310 PolarHBondContact O-N 2.61Å; E310-A312 PolarHBondContact O-N 2.9Å; E310-F313 CarbonylContact O-C 3.48Å; E310-F313 PolarHBondContact O-N 3.32Å; E310-F313 WeakPolarHBondContact OE1-CD2 3.18Å; E310-R314 VanDerWaalsContact O-CB 3.32Å; E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.4Å; E310-R314 PolarHBondContact O-N 2.86Å |
| 311 | A | 70.4 | Confident | 71.6 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.2 | -47.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | E307 R309 F313 R314 W315 | E307-A311 VanDerWaalsContact O-CB 3.29Å; E307-A311 WeakPolarHBondContact O-CB 3.39Å; E307-A311 PolarHBondContact O-N 3.48Å; R309-A311 VanDerWaalsContact C-N 3.32Å; A311-F313 VanDerWaalsContact C-N 3.35Å; A311-F313 PolarHBondContact O-N 3.46Å; A311-R314 PolarHBondContact O-N 3.35Å; A311-W315 WeakPolarHBondContact O-CB 3.13Å; A311-W315 PolarHBondContact O-N 3.48Å |
| 312 | A | 65.8 | Low | 70.7 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E308 R309 E310 M316 | E308-A312 WeakPolarHBondContact O-CB 3.22Å; E308-A312 PolarHBondContact O-N 2.67Å; E308-A312 VanDerWaalsContact O-N 3.11Å; R309-A312 PolarHBondContact O-N 2.89Å; E310-A312 PolarHBondContact O-N 2.9Å; A312-M316 WeakPolarHBondContact O-CB 3.28Å; A312-M316 WeakPolarHBondContact O-CG 3.24Å; A312-M316 PolarHBondContact O-N 2.85Å |
| 313 | F | 66.8 | Low | 69.6 | Low | 95 Ų | 95 | 78.6 Ų | 78.6 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 174.2 | -82.2 | -60 | 0 | 0 | 0 | 112.9 | R309 E310 A311 W315 M316 R317 | R309-F313 HydrophobicContact CG-CD2 4.09Å; R309-F313 HydrophobicContact CG-CE2 3.95Å; R309-F313 VanDerWaalsContact O-CD2 3.3Å; R309-F313 WeakPolarHBondContact O-CD2 3.47Å; R309-F313 PolarHBondContact O-N 2.92Å; E310-F313 CarbonylContact O-C 3.48Å; E310-F313 PolarHBondContact O-N 3.32Å; E310-F313 WeakPolarHBondContact OE1-CD2 3.18Å; A311-F313 VanDerWaalsContact C-N 3.35Å; A311-F313 PolarHBondContact O-N 3.46Å; F313-W315 VanDerWaalsContact C-N 3.31Å; F313-W315 PolarHBondContact O-N 2.82Å; F313-M316 HydrophobicContact CD1-CE 3.86Å; F313-M316 HydrophobicContact CE1-CE 3.96Å; F313-M316 PolarHBondContact O-N 3.4Å; F313-R317 VanDerWaalsContact O-CB 3.31Å; F313-R317 WeakPolarHBondContact O-CB 3.33Å; F313-R317 PolarHBondContact O-N 3.19Å |
| 314 | R | 70.5 | Confident | 68.5 | Low | 91 Ų | 91 | 82 Ų | 82 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -51.8 | -51.1 | 170.5 | -73.7 | 165.8 | 171.7 | 152.6 | -6.7 | 109.4 | E310 A311 R317 G318 E469 D470 | E310-R314 VanDerWaalsContact O-CB 3.32Å; E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.4Å; E310-R314 PolarHBondContact O-N 2.86Å; A311-R314 PolarHBondContact O-N 3.35Å; R314-R317 PolarHBondContact O-N 2.9Å; R314-G318 PolarHBondContact O-N 3.25Å; R314-E469 IonicContact NH2-OE1 3.84Å; R314-E469 PolarHBondContact NH2-OE1 3.37Å; R314-D470 IonicContact CZ-OD1 2.85Å; R314-D470 IonicContact NH1-OD1 3.65Å; R314-D470 PolarHBondContact NH1-OD1 2.79Å; R314-D470 IonicContact NH1-OD2 2.65Å; R314-D470 PolarHBondContact NH1-OD2 3.28Å; R314-D470 IonicContact NH2-OD1 3.76Å; R314-D470 PolarHBondContact NH2-OD1 2.82Å |
| 315 | W | 71.2 | Confident | 67.5 | Low | 160 Ų | 160 | 82.3 Ų | 82.3 | 61% | 0.606 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 177.7 | -176.8 | 96.9 | 0 | 0 | 0 | 113.8 | A311 F313 R317 G318 K319 | A311-W315 WeakPolarHBondContact O-CB 3.13Å; A311-W315 PolarHBondContact O-N 3.48Å; F313-W315 VanDerWaalsContact C-N 3.31Å; F313-W315 PolarHBondContact O-N 2.82Å; W315-R317 VanDerWaalsContact C-N 3.33Å; W315-R317 PolarHBondContact O-N 3.49Å; W315-G318 PolarHBondContact O-N 2.9Å; W315-K319 HydrophobicContact CD2-CD 4.14Å; W315-K319 HydrophobicContact CE3-CD 4.04Å; W315-K319 HydrophobicContact CH2-CD 4.07Å; W315-K319 HydrophobicContact CZ2-CD 4.14Å; W315-K319 HydrophobicContact CZ3-CD 3.98Å; W315-K319 PolarHBondContact O-N 2.99Å |
| 316 | M | 57.4 | Low | 67 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 175.9 | -81.6 | -154.4 | -67.3 | 0 | 0 | 112.2 | A312 F313 K319 Q320 | A312-M316 WeakPolarHBondContact O-CB 3.28Å; A312-M316 WeakPolarHBondContact O-CG 3.24Å; A312-M316 PolarHBondContact O-N 2.85Å; F313-M316 HydrophobicContact CD1-CE 3.86Å; F313-M316 HydrophobicContact CE1-CE 3.96Å; F313-M316 PolarHBondContact O-N 3.4Å; M316-K319 PolarHBondContact O-N 3.19Å; M316-Q320 WeakPolarHBondContact O-CG 3.3Å; M316-Q320 PolarHBondContact O-N 2.97Å |
| 317 | R | 65.8 | Low | 66.3 | Low | 169 Ų | 169 | 89.9 Ų | 89.9 | 64% | 0.638 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 174.9 | -162.5 | 178.3 | -167.4 | -171.8 | 2.2 | 110.8 | F313 R314 W315 Q320 G321 | F313-R317 VanDerWaalsContact O-CB 3.31Å; F313-R317 WeakPolarHBondContact O-CB 3.33Å; F313-R317 PolarHBondContact O-N 3.19Å; R314-R317 PolarHBondContact O-N 2.9Å; W315-R317 VanDerWaalsContact C-N 3.33Å; W315-R317 PolarHBondContact O-N 3.49Å; R317-Q320 PolarHBondContact O-N 3.12Å; R317-G321 PolarHBondContact O-N 3.16Å |
| 318 | G | 64.1 | Low | 65.8 | Low | 44 Ų | 44 | 92.7 Ų | 92.7 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R314 W315 Q320 G321 A322 | R314-G318 PolarHBondContact O-N 3.25Å; W315-G318 PolarHBondContact O-N 2.9Å; G318-Q320 PolarHBondContact O-N 3.14Å; G318-G321 PolarHBondContact O-N 2.6Å; G318-A322 WeakPolarHBondContact O-CB 3.48Å; G318-A322 PolarHBondContact O-N 3.08Å |
| 319 | K | 66.1 | Low | 65.4 | Low | 115 Ų | 115 | 96 Ų | 96 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 177.9 | -75.9 | -171.2 | 173.3 | -178.7 | 0 | 114.2 | W315 M316 R323 | W315-K319 HydrophobicContact CD2-CD 4.14Å; W315-K319 HydrophobicContact CE3-CD 4.04Å; W315-K319 HydrophobicContact CH2-CD 4.07Å; W315-K319 HydrophobicContact CZ2-CD 4.14Å; W315-K319 HydrophobicContact CZ3-CD 3.98Å; W315-K319 PolarHBondContact O-N 2.99Å; M316-K319 PolarHBondContact O-N 3.19Å; K319-R323 PolarHBondContact O-N 2.69Å; K319-R323 VanDerWaalsContact O-N 3.13Å |
| 320 | Q | 60.3 | Low | 65 | Low | 143 Ų | 143 | 99.3 Ų | 99.3 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.4 | -44.9 | 171.6 | -71.8 | -176 | 21.7 | 0 | 0 | 111.4 | M316 R317 G318 R323 M324 | M316-Q320 WeakPolarHBondContact O-CG 3.3Å; M316-Q320 PolarHBondContact O-N 2.97Å; R317-Q320 PolarHBondContact O-N 3.12Å; G318-Q320 PolarHBondContact O-N 3.14Å; Q320-R323 PolarHBondContact O-N 2.96Å; Q320-M324 WeakPolarHBondContact O-CB 3.46Å; Q320-M324 PolarHBondContact O-N 3.34Å |
| 321 | G | 57.7 | Low | 64.3 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R317 G318 R323 M324 A325 | R317-G321 PolarHBondContact O-N 3.16Å; G318-G321 PolarHBondContact O-N 2.6Å; G321-R323 VanDerWaalsContact C-N 3.34Å; G321-R323 PolarHBondContact O-N 3.32Å; G321-M324 PolarHBondContact O-N 2.91Å; G321-M324 VanDerWaalsContact O-N 3.15Å; G321-A325 WeakPolarHBondContact O-CB 3.43Å; G321-A325 PolarHBondContact O-N 3.47Å |
| 322 | A | 62.6 | Low | 63.3 | Low | 52 Ų | 52 | 102.7 Ų | 102.7 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G318 N326 | G318-A322 WeakPolarHBondContact O-CB 3.48Å; G318-A322 PolarHBondContact O-N 3.08Å; A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 3.39Å; A322-N326 PolarHBondContact O-ND2 2.89Å |
| 323 | R | 62.6 | Low | 62.6 | Low | 192 Ų | 192 | 107.4 Ų | 107.4 | 73% | 0.725 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 171.7 | -97.5 | -171 | 173.6 | 177.1 | -0.6 | 112.3 | K319 Q320 G321 A325 N326 E327 | K319-R323 PolarHBondContact O-N 2.69Å; K319-R323 VanDerWaalsContact O-N 3.13Å; Q320-R323 PolarHBondContact O-N 2.96Å; G321-R323 VanDerWaalsContact C-N 3.34Å; G321-R323 PolarHBondContact O-N 3.32Å; R323-A325 VanDerWaalsContact C-N 3.33Å; R323-A325 PolarHBondContact O-N 2.8Å; R323-N326 PolarHBondContact O-N 3.18Å; R323-E327 PolarHBondContact O-N 3.17Å |
| 324 | M | 60.1 | Low | 61.3 | Low | 127 Ų | 127 | 107.5 Ų | 107.5 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.8 | -36.4 | -178.6 | -161.5 | 167 | -175 | 0 | 0 | 111.5 | Q320 G321 E327 L328 | Q320-M324 WeakPolarHBondContact O-CB 3.46Å; Q320-M324 PolarHBondContact O-N 3.34Å; G321-M324 PolarHBondContact O-N 2.91Å; G321-M324 VanDerWaalsContact O-N 3.15Å; M324-E327 PolarHBondContact O-N 2.91Å; M324-L328 HydrophobicContact CG-CD1 4.48Å; M324-L328 WeakPolarHBondContact O-CB 3.31Å; M324-L328 VanDerWaalsContact O-CG 3.26Å; M324-L328 WeakPolarHBondContact O-CG 3.17Å; M324-L328 PolarHBondContact O-N 2.85Å |
| 325 | A | 61.9 | Low | 59.8 | Low | 55 Ų | 55 | 107.6 Ų | 107.6 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -48.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | G321 R323 E327 L328 E329 | G321-A325 WeakPolarHBondContact O-CB 3.43Å; G321-A325 PolarHBondContact O-N 3.47Å; R323-A325 VanDerWaalsContact C-N 3.33Å; R323-A325 PolarHBondContact O-N 2.8Å; A325-E327 VanDerWaalsContact C-N 3.27Å; A325-E327 PolarHBondContact O-N 3.3Å; A325-L328 PolarHBondContact O-N 3.05Å; A325-E329 WeakPolarHBondContact O-CB 3.39Å; A325-E329 PolarHBondContact O-N 2.59Å |
| 326 | N | 65.5 | Low | 58.2 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.9 | -30.1 | 176.3 | -90.5 | -98.6 | 0 | 0 | 0 | 113.6 | A322 R323 K330 | A322-N326 WeakPolarHBondContact O-CB 3.43Å; A322-N326 PolarHBondContact O-N 3.39Å; A322-N326 PolarHBondContact O-ND2 2.89Å; R323-N326 PolarHBondContact O-N 3.18Å; N326-K330 WeakPolarHBondContact O-CB 3.49Å; N326-K330 WeakPolarHBondContact O-CD 3.42Å; N326-K330 VanDerWaalsContact O-CG 3.26Å; N326-K330 WeakPolarHBondContact O-CG 3.37Å; N326-K330 PolarHBondContact O-N 2.81Å |
| 327 | E | 63.9 | Low | 57.2 | Low | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.8 | -39.4 | 174.5 | -75.1 | -176.3 | 171.2 | 0 | 0 | 111.9 | R323 M324 A325 K330 L331 | R323-E327 PolarHBondContact O-N 3.17Å; M324-E327 PolarHBondContact O-N 2.91Å; A325-E327 VanDerWaalsContact C-N 3.27Å; A325-E327 PolarHBondContact O-N 3.3Å; E327-K330 PolarHBondContact O-N 3.42Å; E327-L331 VanDerWaalsContact O-CG 3.28Å; E327-L331 WeakPolarHBondContact O-CG 3.38Å; E327-L331 PolarHBondContact O-N 3.44Å |
| 328 | L | 67.9 | Low | 55.8 | Low | 113 Ų | 113 | 111.3 Ų | 111.3 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.9 | -42.8 | 172.7 | -74.6 | 167 | 0 | 0 | 0 | 111.9 | M324 A325 L331 G332 | M324-L328 HydrophobicContact CG-CD1 4.48Å; M324-L328 WeakPolarHBondContact O-CB 3.31Å; M324-L328 VanDerWaalsContact O-CG 3.26Å; M324-L328 WeakPolarHBondContact O-CG 3.17Å; M324-L328 PolarHBondContact O-N 2.85Å; A325-L328 PolarHBondContact O-N 3.05Å; L328-L331 PolarHBondContact O-N 2.96Å; L328-G332 PolarHBondContact O-N 2.77Å |
| 329 | E | 67.2 | Low | 54.5 | Low | 120 Ų | 120 | 118 Ų | 118 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.9 | -44.1 | 175.6 | -174 | 176 | -142.2 | 0 | 0 | 111.2 | A325 L331 G332 L333 | A325-E329 WeakPolarHBondContact O-CB 3.39Å; A325-E329 PolarHBondContact O-N 2.59Å; E329-L331 VanDerWaalsContact C-N 3.29Å; E329-L331 PolarHBondContact O-N 2.86Å; E329-G332 PolarHBondContact O-N 3.02Å; E329-L333 HydrophobicContact CG-CD1 3.9Å; E329-L333 HydrophobicContact CG-CG 4.46Å; E329-L333 WeakPolarHBondContact O-CB 3.47Å; E329-L333 VanDerWaalsContact O-CG 3.25Å; E329-L333 WeakPolarHBondContact O-CG 3.4Å; E329-L333 PolarHBondContact O-N 2.88Å |
| 330 | K | 67.4 | Low | 52.6 | Low | 143 Ų | 143 | 120.3 Ų | 120.3 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68 | -24.6 | 175.3 | -76.3 | 171.2 | -174 | 166.7 | 0 | 114.4 | N326 E327 | N326-K330 WeakPolarHBondContact O-CB 3.49Å; N326-K330 WeakPolarHBondContact O-CD 3.42Å; N326-K330 VanDerWaalsContact O-CG 3.26Å; N326-K330 WeakPolarHBondContact O-CG 3.37Å; N326-K330 PolarHBondContact O-N 2.81Å; E327-K330 PolarHBondContact O-N 3.42Å |
| 331 | L | 55.4 | Low | 51.5 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.7 | -42.5 | 171.6 | -71.9 | 166.3 | 0 | 0 | 0 | 110.8 | E327 L328 E329 S334 | E327-L331 VanDerWaalsContact O-CG 3.28Å; E327-L331 WeakPolarHBondContact O-CG 3.38Å; E327-L331 PolarHBondContact O-N 3.44Å; L328-L331 PolarHBondContact O-N 2.96Å; E329-L331 VanDerWaalsContact C-N 3.29Å; E329-L331 PolarHBondContact O-N 2.86Å; L331-S334 PolarHBondContact O-N 3.2Å; L331-S334 PolarHBondContact O-OG 3.46Å |
| 332 | G | 49.9 | Very low | 50.1 | Low | 43 Ų | 43 | 121.9 Ų | 121.9 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63.5 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L328 E329 S334 S335 | L328-G332 PolarHBondContact O-N 2.77Å; E329-G332 PolarHBondContact O-N 3.02Å; G332-S334 PolarHBondContact O-N 2.88Å; G332-S335 PolarHBondContact O-N 3.02Å; G332-S335 PolarHBondContact O-OG 3.14Å |
| 333 | L | 49.8 | Very low | 48.9 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 14.4 | 177.2 | -69.5 | 171.3 | 0 | 0 | 0 | 114.6 | E329 | E329-L333 HydrophobicContact CG-CD1 3.9Å; E329-L333 HydrophobicContact CG-CG 4.46Å; E329-L333 WeakPolarHBondContact O-CB 3.47Å; E329-L333 VanDerWaalsContact O-CG 3.25Å; E329-L333 WeakPolarHBondContact O-CG 3.4Å; E329-L333 PolarHBondContact O-N 2.88Å |
| 334 | S | 39.9 | Very low | 47.4 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 4 | 178.2 | 73.4 | 0 | 0 | 0 | 0 | 114.6 | L331 G332 | L331-S334 PolarHBondContact O-N 3.2Å; L331-S334 PolarHBondContact O-OG 3.46Å; G332-S334 PolarHBondContact O-N 2.88Å |
| 335 | S | 38.7 | Very low | 46.2 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -138.1 | 13.6 | -170.5 | 56.3 | 0 | 0 | 0 | 0 | 116.9 | G332 | G332-S335 PolarHBondContact O-N 3.02Å; G332-S335 PolarHBondContact O-OG 3.14Å |
| 336 | E | 37.1 | Very low | 45 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -121.3 | 67.4 | 177.5 | -67.9 | -161.9 | 164.1 | 0 | 0 | 113.5 | ||||
| 337 | D | 36.4 | Very low | 43.3 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | trans | -126.9 | 87 | 153.5 | -103.7 | -36.7 | 0 | 0 | 0 | 106.8 | ||||
| 338 | N | 38 | Very low | 42 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 171.6 | 110.6 | 152.4 | -91.4 | -53.6 | 0 | 0 | 0 | 112.7 | ||
| 339 | E | 37 | Very low | 40.4 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 25.4 | 126.8 | 150.2 | -53.8 | -169.5 | 134.5 | 0 | 0 | 122.4 | ||||
| 340 | M | 26.4 | Very low | 38.7 | Very low | 165 Ų | 165 | 130 Ų | 130 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -67.5 | 160.2 | 163 | -60.2 | -176.5 | 70.7 | 0 | 0 | 112.5 | ||||
| 341 | P | 35.3 | Very low | 37.3 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | -138.1 | 166.1 | 100.5 | 24.7 | -6 | 0 | 0 | 0 | 114.8 | |||||
| 342 | S | 28.7 | Very low | 36.1 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | -100.3 | 140.7 | -168.5 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 343 | H | 37.5 | Very low | 35.2 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -148.3 | 147.4 | 158.5 | -90.2 | -74.4 | 0 | 0 | 0 | 112.6 | ||||
| 344 | K | 30.3 | Very low | 34.5 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -141.3 | 175.1 | 177.4 | -87.1 | -176.6 | 176.2 | 177.5 | 0 | 107.2 | ||||
| 345 | P | 36.1 | Very low | 33.9 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -118 | -126.5 | -4.6 | 26.8 | -0.2 | 0 | 0 | 0 | 108.4 | ||||
| 346 | P | 36.4 | Very low | 33.6 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -141.4 | 128.8 | -20.3 | 34.8 | -11.5 | 0 | 0 | 0 | 118.7 | ||||
| 347 | S | 30.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | 74.5 | 153.8 | 129.6 | 76.5 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 348 | S | 35.2 | Very low | 33.2 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 78.5 | 134.1 | 168 | 85.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 349 | T | 35.4 | Very low | 32.8 | Very low | 144 Ų | 144 | 146 Ų | 146 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | cis | -139.5 | 173.8 | -13.7 | 68.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 350 | G | 31.8 | Very low | 32.6 | Very low | 62 Ų | 62 | 141.8 Ų | 141.8 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | cis | 171.8 | 175 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 351 | K | 36.7 | Very low | 32.8 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | trans | 59.9 | 91.2 | -174.9 | -59.3 | -179.3 | 178.4 | 179.6 | 0 | 114.1 | ||||
| 352 | R | 30.5 | Very low | 32.6 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | 59.9 | 108.4 | 76.9 | -73.4 | -175.2 | 160.6 | 173.9 | -4.7 | 113.6 | |||||
| 353 | F | 30.9 | Very low | 32.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 78.4 | 148.4 | 69.2 | -83 | -61.7 | 0 | 0 | 0 | 112.4 | |||||
| 354 | P | 35 | Very low | 32.4 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | cis | -132.2 | 163.8 | 27.4 | 41.7 | -26 | 0 | 0 | 0 | 118.5 | ||||
| 355 | E | 28.4 | Very low | 32.4 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -99 | 168.4 | 161.2 | -60.1 | 164.6 | 111.8 | 0 | 0 | 110.9 | ||||
| 356 | M | 31.5 | Very low | 32.1 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | trans | -132.1 | 117.4 | 153.8 | -78 | -152.2 | -97.4 | 0 | 0 | 108.5 | ||||
| 357 | N | 31.9 | Very low | 32 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | 65.3 | 128 | 97.9 | -66.3 | -57.4 | 0 | 0 | 0 | 113.5 | |||||
| 358 | K | 33.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 149 Ų | 149 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | cis | -164.1 | 148.1 | 12.4 | -116.7 | 164.6 | -171 | 175.5 | 0 | 112.7 | ||||
| 359 | S | 29.4 | Very low | 32.2 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 9.6 | 149.3 | 141.2 | 67.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 360 | S | 33.2 | Very low | 32.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -178.3 | 165.9 | 47.4 | 63.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 361 | L | 30.7 | Very low | 32.6 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | 69.5 | 131.5 | 172.7 | -76 | 101.8 | 0 | 0 | 0 | 115.4 | ||||
| 362 | L | 30.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | 68.6 | 128.8 | 57.2 | -59.6 | 171.7 | 0 | 0 | 0 | 111.8 | |||||
| 363 | D | 32.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 57% | 0.572 | 70% | 0.697 | S | S | * | * | cis | -150.6 | 158.1 | 18.1 | -169.2 | 25.8 | 0 | 0 | 0 | 112.9 | ||||
| 364 | R | 30 | Very low | 33.4 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | 34.5 | 121.5 | 158.2 | -80.7 | 167.8 | -176.6 | 109.9 | -3.2 | 122.5 | ||||
| 365 | K | 30.1 | Very low | 33.7 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | trans | 100.3 | 130.1 | 130.6 | -79.1 | -174.7 | 169.4 | -159.8 | 0 | 121.4 | ||||
| 366 | D | 29.8 | Very low | 34.2 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | 75.2 | 23.2 | 144.7 | -50.5 | -14.9 | 0 | 0 | 0 | 118.9 | F368 | D366-F368 PolarHBondContact O-N 3.08Š| ||
| 367 | D | 33.9 | Very low | 34.4 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -76.7 | 84.5 | 173.9 | -69.4 | -49.9 | 0 | 0 | 0 | 114.3 | ||||
| 368 | F | 35 | Very low | 34.6 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 88% | 0.877 | 67% | 0.665 | S | S | * | * | trans | -83.9 | 6.6 | 161.8 | -130.1 | -91.3 | 0 | 0 | 0 | 112.6 | D366 | D366-F368 PolarHBondContact O-N 3.08Š| ||
| 369 | G | 37 | Very low | 34.6 | Very low | 30 Ų | 30 | 126 Ų | 126 | 31% | 0.309 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -88.5 | -16 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | L371 T372 | G369-L371 PolarHBondContact O-N 2.74Å; G369-L371 VanDerWaalsContact O-N 3.1Å; G369-T372 PolarHBondContact O-N 2.88Å; G369-T372 PolarHBondContact O-OG1 2.96Å |
| 370 | Q | 38.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -74.6 | -0.1 | -178 | -67.3 | -178.3 | 2.6 | 0 | 0 | 114.1 | ||
| 371 | L | 36.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -93.8 | -14.6 | 168.2 | -149.6 | 76.4 | 0 | 0 | 0 | 112.7 | G369 I375 | G369-L371 PolarHBondContact O-N 2.74Å; G369-L371 VanDerWaalsContact O-N 3.1Å; L371-I375 WeakPolarHBondContact O-CD1 3.47Å; L371-I375 WeakPolarHBondContact O-CG1 3.34Å |
| 372 | T | 36.2 | Very low | 34.8 | Very low | 75 Ų | 75 | 129 Ų | 129 | 46% | 0.46 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -37.9 | 177.1 | 14.1 | 0 | 0 | 0 | 0 | 112.4 | G369 L374 I375 D376 | G369-T372 PolarHBondContact O-N 2.88Å; G369-T372 PolarHBondContact O-OG1 2.96Å; T372-L374 PolarHBondContact O-N 2.89Å; T372-I375 WeakPolarHBondContact O-CA 3.39Å; T372-I375 WeakPolarHBondContact O-CB 3.47Å; T372-I375 PolarHBondContact O-N 2.9Å; T372-D376 PolarHBondContact O-N 2.84Å |
| 373 | D | 38.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.7 | -28.1 | 177.1 | -51.8 | -18.8 | 0 | 0 | 0 | 112 | I375 L377 | D373-I375 VanDerWaalsContact C-N 3.29Å; D373-L377 PolarHBondContact O-N 2.83Å |
| 374 | L | 41.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 56% | 0.56 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -3.5 | 173.3 | -109.1 | 171.2 | 0 | 0 | 0 | 114.1 | T372 F378 | T372-L374 PolarHBondContact O-N 2.89Å; L374-F378 WeakPolarHBondContact O-CD2 3.47Å |
| 375 | I | 40 | Very low | 34.4 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 52% | 0.518 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -103 | -38.9 | 173.7 | -69.1 | 168.8 | 0 | 0 | 0 | 109.9 | L371 T372 D373 L377 F378 | L371-I375 WeakPolarHBondContact O-CD1 3.47Å; L371-I375 WeakPolarHBondContact O-CG1 3.34Å; T372-I375 WeakPolarHBondContact O-CA 3.39Å; T372-I375 WeakPolarHBondContact O-CB 3.47Å; T372-I375 PolarHBondContact O-N 2.9Å; D373-I375 VanDerWaalsContact C-N 3.29Å; I375-L377 PolarHBondContact O-N 2.84Å; I375-F378 PolarHBondContact O-N 2.99Å |
| 376 | D | 38.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -22.8 | 173.8 | -76.4 | -15.3 | 0 | 0 | 0 | 112.6 | T372 F378 V379 | T372-D376 PolarHBondContact O-N 2.84Å; D376-F378 PolarHBondContact O-N 3.22Å; D376-V379 PolarHBondContact O-N 2.77Å |
| 377 | L | 37.4 | Very low | 34.3 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -15.3 | 169.3 | -133.7 | 82.2 | 0 | 0 | 0 | 114.1 | D373 I375 | D373-L377 PolarHBondContact O-N 2.83Å; I375-L377 PolarHBondContact O-N 2.84Å |
| 378 | F | 35.4 | Very low | 34.4 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 25.1 | 178.6 | -66 | -81.3 | 0 | 0 | 0 | 112.4 | L374 I375 D376 P380 | L374-F378 WeakPolarHBondContact O-CD2 3.47Å; I375-F378 PolarHBondContact O-N 2.99Å; D376-F378 PolarHBondContact O-N 3.22Å; F378-P380 WeakPolarHBondContact O-CD 3.31Å |
| 379 | V | 31.8 | Very low | 34.6 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 52% | 0.515 | 65% | 0.65 | S | S | . | * | trans | -103.6 | 105.4 | 172 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | D376 Q381 | D376-V379 PolarHBondContact O-N 2.77Å; V379-Q381 PolarHBondContact O-N 2.94Å | ||
| 380 | P | 31.9 | Very low | 34.5 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -67.1 | 115.1 | 176.2 | -19.3 | 32.7 | 0 | 0 | 0 | 111 | F378 S382 | F378-P380 WeakPolarHBondContact O-CD 3.31Å; P380-S382 PolarHBondContact O-N 2.86Å; P380-S382 VanDerWaalsContact O-N 3.08Å | ||
| 381 | Q | 35.6 | Very low | 34.3 | Very low | 180 Ų | 180 | 119.6 Ų | 119.6 | 84% | 0.841 | 66% | 0.659 | S | S | * | * | trans | -71.3 | 103.5 | 168.4 | -68.8 | -167.7 | 9.4 | 0 | 0 | 109.9 | V379 | V379-Q381 PolarHBondContact O-N 2.94Š| ||
| 382 | S | 30.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 41.7 | 89.4 | 154.1 | 57.4 | 0 | 0 | 0 | 0 | 117.3 | P380 | P380-S382 PolarHBondContact O-N 2.86Å; P380-S382 VanDerWaalsContact O-N 3.08Å |
| 383 | G | 27.9 | Very low | 34.7 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 88% | 0.876 | 65% | 0.646 | S | S | * | * | trans | -173.8 | -11.1 | 173 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 384 | C | 29.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | trans | -143.4 | 163.9 | -177.1 | -149.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 385 | Q | 27.6 | Very low | 34.8 | Very low | 172 Ų | 172 | 112 Ų | 112 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -118.2 | 44.3 | -169.5 | -67.7 | -170.6 | -39.8 | 0 | 0 | 114.3 | ||
| 386 | Y | 25.9 | Very low | 35 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | trans | -142.5 | 73.3 | 177.9 | -72.1 | -87.1 | 0 | 0 | 0 | 112.3 | F1802 | Y386-F1802 HydrophobicContact CE1-CD1 4.46Å; Y386-F1802 HydrophobicContact CE1-CE1 4.22Å; Y386-F1802 AromaticContact CZ-CE1 4Å; Y386-F1802 VanDerWaalsContact OH-CD1 3.29Å; Y386-F1802 WeakPolarHBondContact OH-CD1 3.4Å; Y386-F1802 WeakPolarHBondContact OH-CE1 3.5Å | ||
| 387 | D | 32.7 | Very low | 35.2 | Very low | 130 Ų | 130 | 110.6 Ų | 110.6 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | -158.1 | 85.9 | 174.5 | -112.8 | -37 | 0 | 0 | 0 | 112.9 | ||||
| 388 | N | 34.1 | Very low | 35.5 | Very low | 135 Ų | 135 | 110.1 Ų | 110.1 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | trans | -142 | -11.9 | 172.9 | -84.4 | -56.2 | 0 | 0 | 0 | 114.6 | ||||
| 389 | V | 40 | Very low | 36.1 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -82.1 | -37.3 | -169.6 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | L391 D392 | V389-L391 VanDerWaalsContact C-N 3.25Å; V389-L391 PolarHBondContact O-N 2.96Å; V389-D392 PolarHBondContact O-N 2.82Å |
| 390 | M | 34.5 | Very low | 36.6 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 56% | 0.557 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -22.3 | -176.4 | -85.8 | -72.7 | -173.8 | 0 | 0 | 115 | S1808 | M390-S1808 VanDerWaalsContact CE-CB 3.45Å |
| 391 | L | 35.7 | Very low | 36.6 | Very low | 129 Ų | 129 | 110.4 Ų | 110.4 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.4 | -28.6 | -178.5 | -75.4 | 167.9 | 0 | 0 | 0 | 112.8 | V389 A394 A395 | V389-L391 VanDerWaalsContact C-N 3.25Å; V389-L391 PolarHBondContact O-N 2.96Å; L391-A394 PolarHBondContact O-N 3.49Å; L391-A395 PolarHBondContact O-N 2.89Å |
| 392 | D | 37.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 104.5 Ų | 104.5 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.7 | -42.4 | -177.8 | -77.8 | -17.2 | 0 | 0 | 0 | 112.2 | V389 A394 A395 E396 | V389-D392 PolarHBondContact O-N 2.82Å; D392-A394 PolarHBondContact O-N 2.82Å; D392-A395 WeakPolarHBondContact O-CB 3.32Å; D392-A395 PolarHBondContact O-N 2.92Å; D392-E396 PolarHBondContact O-N 2.84Å |
| 393 | E | 41.7 | Very low | 37 | Very low | 47 Ų | 47 | 103.4 Ų | 103.4 | 22% | 0.22 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -60.1 | -35.8 | 171.5 | -76.8 | -156.3 | 116.6 | 0 | 0 | 111.6 | L397 T1810 | E393-L397 WeakPolarHBondContact O-CB 3.19Å; E393-L397 VanDerWaalsContact O-CG 3.29Å; E393-L397 WeakPolarHBondContact O-CG 3.43Å; E393-L397 PolarHBondContact O-N 2.77Å; E393-L397 VanDerWaalsContact O-N 3.08Å; E393-T1810 WeakPolarHBondContact OE1-CA 3.46Å; E393-T1810 VanDerWaalsContact OE1-CB 3.31Å; E393-T1810 WeakPolarHBondContact OE1-CB 3.5Å; E393-T1810 PolarHBondContact OE1-N 3.24Å; E393-T1810 PolarHBondContact OE1-OG1 3.26Å; E393-T1810 WeakPolarHBondContact OE2-CG2 3.4Å; E393-T1810 PolarHBondContact OE2-N 3.37Å |
| 394 | A | 38.1 | Very low | 37.3 | Very low | 44 Ų | 44 | 105.8 Ų | 105.8 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L391 D392 M398 | L391-A394 PolarHBondContact O-N 3.49Å; D392-A394 PolarHBondContact O-N 2.82Å; A394-M398 WeakPolarHBondContact O-CG 3.27Å; A394-M398 PolarHBondContact O-N 3.43Å |
| 395 | A | 43.1 | Very low | 37.3 | Very low | 46 Ų | 46 | 104.2 Ų | 104.2 | 38% | 0.38 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.8 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L391 D392 L397 M398 E399 | L391-A395 PolarHBondContact O-N 2.89Å; D392-A395 WeakPolarHBondContact O-CB 3.32Å; D392-A395 PolarHBondContact O-N 2.92Å; A395-L397 VanDerWaalsContact C-N 3.32Å; A395-L397 PolarHBondContact O-N 3.13Å; A395-M398 WeakPolarHBondContact O-CA 3.43Å; A395-M398 WeakPolarHBondContact O-CB 3.42Å; A395-M398 PolarHBondContact O-N 2.82Å; A395-E399 PolarHBondContact O-N 2.83Å |
| 396 | E | 43.9 | Very low | 37.4 | Very low | 141 Ų | 141 | 104 Ų | 104 | 66% | 0.659 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.1 | -42.9 | 176.1 | -71.7 | -159.3 | 148 | 0 | 0 | 111.6 | D392 M398 E399 E400 | D392-E396 PolarHBondContact O-N 2.84Å; E396-M398 PolarHBondContact O-N 2.73Å; E396-E399 PolarHBondContact O-N 2.85Å; E396-E399 VanDerWaalsContact O-N 3.11Å; E396-E400 PolarHBondContact O-N 3.46Å |
| 397 | L | 44.9 | Very low | 37.6 | Very low | 42 Ų | 42 | 108 Ų | 108 | 22% | 0.22 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -67.9 | -19.5 | 176.7 | -72.1 | 171.9 | 0 | 0 | 0 | 113.9 | E393 A395 V402 T1810 | E393-L397 WeakPolarHBondContact O-CB 3.19Å; E393-L397 VanDerWaalsContact O-CG 3.29Å; E393-L397 WeakPolarHBondContact O-CG 3.43Å; E393-L397 PolarHBondContact O-N 2.77Å; E393-L397 VanDerWaalsContact O-N 3.08Å; A395-L397 VanDerWaalsContact C-N 3.32Å; A395-L397 PolarHBondContact O-N 3.13Å; L397-V402 HydrophobicContact CD2-CG1 4.44Å; L397-T1810 HydrophobicContact CD1-CG2 4.15Å |
| 398 | M | 43 | Very low | 37.5 | Very low | 129 Ų | 129 | 107.2 Ų | 107.2 | 64% | 0.635 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -81.6 | -38.6 | 167.2 | -68.2 | -164.3 | -154.7 | 0 | 0 | 112.2 | A394 A395 E396 G401 | A394-M398 WeakPolarHBondContact O-CG 3.27Å; A394-M398 PolarHBondContact O-N 3.43Å; A395-M398 WeakPolarHBondContact O-CA 3.43Å; A395-M398 WeakPolarHBondContact O-CB 3.42Å; A395-M398 PolarHBondContact O-N 2.82Å; E396-M398 PolarHBondContact O-N 2.73Å; M398-G401 PolarHBondContact O-N 3.43Å |
| 399 | E | 47 | Very low | 37.3 | Very low | 175 Ų | 175 | 108.6 Ų | 108.6 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 176.9 | -70 | -114.8 | 117.8 | 0 | 0 | 112.5 | A395 E396 G401 | A395-E399 PolarHBondContact O-N 2.83Å; E396-E399 PolarHBondContact O-N 2.85Å; E396-E399 VanDerWaalsContact O-N 3.11Å; E399-G401 PolarHBondContact O-N 2.9Å |
| 400 | E | 43 | Very low | 37 | Very low | 140 Ų | 140 | 110.6 Ų | 110.6 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -11 | 173.1 | -75.2 | -147.9 | 134.4 | 0 | 0 | 113.3 | E396 V402 | E396-E400 PolarHBondContact O-N 3.46Å; E400-V402 HydrophobicContact CB-CB 4.47Å; E400-V402 HydrophobicContact CB-CG2 3.8Å; E400-V402 PolarHBondContact O-N 2.88Å |
| 401 | G | 31.2 | Very low | 37 | Very low | 46 Ų | 46 | 112.3 Ų | 112.3 | 47% | 0.474 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 68.1 | 21.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M398 E399 | M398-G401 PolarHBondContact O-N 3.43Å; E399-G401 PolarHBondContact O-N 2.9Å |
| 402 | V | 40.8 | Very low | 37 | Very low | 55 Ų | 55 | 114.2 Ų | 114.2 | 33% | 0.333 | 61% | 0.606 | S | S | . | * | trans | -71.3 | -30.4 | -178.9 | 155.7 | 0 | 0 | 0 | 0 | 112.2 | L397 E400 | L397-V402 HydrophobicContact CD2-CG1 4.44Å; E400-V402 HydrophobicContact CB-CB 4.47Å; E400-V402 HydrophobicContact CB-CG2 3.8Å; E400-V402 PolarHBondContact O-N 2.88Å | ||
| 403 | V | 34 | Very low | 36.9 | Very low | 96 Ų | 96 | 114.7 Ų | 114.7 | 58% | 0.582 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -104.1 | 128.2 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | S405 | V403-S405 PolarHBondContact O-N 3.15Å; V403-S405 VanDerWaalsContact O-N 3.12Å |
| 404 | V | 34.2 | Very low | 36.5 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | trans | -84.8 | 89.8 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | L406 | V404-L406 PolarHBondContact O-N 3.36Š| ||
| 405 | S | 30.4 | Very low | 36.3 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | trans | 18.2 | 87.6 | 151.9 | 179 | 0 | 0 | 0 | 0 | 117.9 | V403 R407 | V403-S405 PolarHBondContact O-N 3.15Å; V403-S405 VanDerWaalsContact O-N 3.12Å; S405-R407 VanDerWaalsContact C-N 3.28Å; S405-R407 PolarHBondContact O-N 2.79Å | ||
| 406 | L | 29.8 | Very low | 35.7 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 68% | 0.684 | S | S | * | * | trans | -88.2 | 63.3 | 153.5 | -78.7 | 169.7 | 0 | 0 | 0 | 110.1 | V404 | V404-L406 PolarHBondContact O-N 3.36Š| ||
| 407 | R | 29.3 | Very low | 34.9 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 76% | 0.758 | 68% | 0.681 | S | S | * | * | trans | -98.7 | 74.5 | 174.9 | -71.8 | -166.3 | -177.5 | -138.9 | 2.4 | 111.1 | S405 | S405-R407 VanDerWaalsContact C-N 3.28Å; S405-R407 PolarHBondContact O-N 2.79Å | ||
| 408 | T | 30.1 | Very low | 34 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | trans | -147.5 | 69.7 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 409 | H | 31.3 | Very low | 33.6 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -174.4 | 13.8 | 142 | -105.8 | -59.8 | 0 | 0 | 0 | 118 | D411 | H409-D411 PolarHBondContact O-N 3.39Š| ||
| 410 | D | 33.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 49.8 | 178.5 | -78.8 | -43.1 | 0 | 0 | 0 | 116.2 | ||
| 411 | D | 35.4 | Very low | 32.3 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 5.4 | 177.3 | -90.8 | -47.5 | 0 | 0 | 0 | 114 | H409 | H409-D411 PolarHBondContact O-N 3.39Š|
| 412 | K | 35.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -118.6 | -27 | 179.5 | -80.8 | -170.9 | 172.5 | -176.8 | 0 | 116.9 | K414 | K412-K414 VanDerWaalsContact C-N 3.31Å; K412-K414 PolarHBondContact O-N 2.78Å |
| 413 | V | 34.8 | Very low | 31.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -72.6 | -24.6 | -177.8 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | Q415 | V413-Q415 PolarHBondContact O-N 3.21Å; V413-Q415 VanDerWaalsContact O-N 3.11Å |
| 414 | K | 34 | Very low | 31.5 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -76.4 | 12.8 | 179.6 | -71.8 | -179.1 | 176.6 | 171 | 0 | 115.8 | K412 | K412-K414 VanDerWaalsContact C-N 3.31Å; K412-K414 PolarHBondContact O-N 2.78Å |
| 415 | Q | 33.2 | Very low | 31.3 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -113.2 | 3.9 | 177.2 | -72.4 | -166.5 | -6.8 | 0 | 0 | 115.3 | V413 C417 | V413-Q415 PolarHBondContact O-N 3.21Å; V413-Q415 VanDerWaalsContact O-N 3.11Å; Q415-C417 PolarHBondContact O-SG 2.74Å |
| 416 | L | 31.4 | Very low | 31.3 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -106.5 | 79.1 | 159.1 | -69.4 | 166.7 | 0 | 0 | 0 | 106.8 | ||
| 417 | C | 27.2 | Very low | 31.2 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | 54.7 | 103.2 | 98 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | Q415 | Q415-C417 PolarHBondContact O-SG 2.74Š| |||
| 418 | N | 26.3 | Very low | 31.3 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | cis | 56.9 | 49 | 29.1 | -108.9 | 18.1 | 0 | 0 | 0 | 112.7 | ||||
| 419 | K | 34.3 | Very low | 31.1 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -153.9 | 134.2 | 152.6 | -90.5 | 177.4 | -176.9 | 172.9 | 0 | 106.9 | ||||
| 420 | S | 32.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -164.2 | 147.2 | -9.6 | 42.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 421 | D | 30.3 | Very low | 30.6 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -55.7 | 150.2 | 168.3 | -44.3 | -102 | 0 | 0 | 0 | 111.6 | ||||
| 422 | L | 32.2 | Very low | 30.1 | Very low | 175 Ų | 175 | 146 Ų | 146 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | -149.6 | 146.6 | 124.8 | -138.4 | 70.5 | 0 | 0 | 0 | 112.5 | |||||
| 423 | S | 27.7 | Very low | 29.7 | Very low | 87 Ų | 87 | 144 Ų | 144 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -90 | 173.6 | -172.7 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 424 | N | 29.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 68.2 | 101.8 | 145.4 | -79.9 | -55.1 | 0 | 0 | 0 | 118.3 | ||||
| 425 | R | 30.6 | Very low | 29.1 | Very low | 218 Ų | 218 | 141.5 Ų | 141.5 | 82% | 0.823 | 74% | 0.744 | S | S | * | * | 170.3 | 137.7 | 98.9 | -92.6 | 158.5 | -172.2 | -134.2 | 1.1 | 116.8 | |||||
| 426 | I | 30.6 | Very low | 29 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | 63.9 | 92.2 | 129.6 | -60.3 | 171.2 | 0 | 0 | 0 | 118.7 | |||||
| 427 | S | 27.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | 59.1 | 160 | 120.4 | 79.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 428 | H | 31.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | 73 | 109.3 | 172.8 | -64.1 | -61.4 | 0 | 0 | 0 | 113.1 | ||||
| 429 | N | 26.8 | Very low | 30 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | 84.9 | 141.3 | 63.2 | -79.9 | 18.5 | 0 | 0 | 0 | 111.6 | |||||
| 430 | N | 27 | Very low | 30.2 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 64 | 83.2 | 162.4 | -59.3 | 5.4 | 0 | 0 | 0 | 115.4 | ||||
| 431 | A | 25.9 | Very low | 30.5 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 69% | 0.686 | 71% | 0.707 | S | S | * | * | 61.5 | 171.4 | 106 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 432 | Y | 25.4 | Very low | 30.9 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | trans | 65.9 | 111.2 | 169.9 | -62.2 | -66.2 | 0 | 0 | 0 | 117 | ||||
| 433 | N | 26.5 | Very low | 31 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | 81.2 | 120.8 | 121.9 | -63.6 | 3.3 | 0 | 0 | 0 | 119.6 | |||||
| 434 | T | 27.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | 71 | 125.7 | 124.3 | 63.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 435 | M | 29.4 | Very low | 31.6 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | trans | 76 | 154.5 | 151 | -40.5 | -120.7 | 171.5 | 0 | 0 | 114.2 | ||||
| 436 | D | 30 | Very low | 31.7 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | cis | -149.5 | 173.7 | 13 | -139.3 | -22 | 0 | 0 | 0 | 112.3 | ||||
| 437 | D | 35.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | trans | 54.4 | 129.7 | 158.7 | -64 | -36.5 | 0 | 0 | 0 | 119.6 | ||||
| 438 | N | 36 | Very low | 32.1 | Very low | 118 Ų | 118 | 138 Ų | 138 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | cis | -168.7 | 157 | -0.6 | -114.2 | -43.4 | 0 | 0 | 0 | 111.7 | ||||
| 439 | H | 35.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | 61.6 | 129.6 | 163.6 | -62.3 | -37.8 | 0 | 0 | 0 | 119.2 | ||||
| 440 | D | 38.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | cis | -157.7 | 147.9 | -2.6 | -104.8 | -23.1 | 0 | 0 | 0 | 112.7 | ||||
| 441 | H | 39.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 143 Ų | 143 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | trans | 53.1 | 105 | 156.9 | -63.9 | -57.5 | 0 | 0 | 0 | 118.4 | ||||
| 442 | E | 36.9 | Very low | 32.4 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | 92.4 | 145 | 79.3 | -90.5 | 176.5 | -140.9 | 0 | 0 | 112.1 | |||||
| 443 | D | 35.3 | Very low | 32.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | cis | -176.7 | 160.8 | -15.7 | -120.4 | 28.6 | 0 | 0 | 0 | 106.7 | ||||
| 444 | N | 33.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | cis | -168.4 | -175.2 | -11.8 | -148.3 | -35.3 | 0 | 0 | 0 | 109 | ||||
| 445 | I | 35.9 | Very low | 32.9 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 80.2 | 98.6 | 155.2 | -63.9 | 150.2 | 0 | 0 | 0 | 117 | ||||
| 446 | D | 33 | Very low | 32.8 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -66.1 | 170.4 | 150.3 | -39.1 | -97.5 | 0 | 0 | 0 | 111.7 | ||||
| 447 | D | 34.7 | Very low | 32.7 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | -161.4 | 162.3 | 117 | -132.6 | -29.9 | 0 | 0 | 0 | 113 | |||||
| 448 | E | 30.7 | Very low | 32.4 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 146.4 | -174.7 | -53.8 | 176.7 | 150.2 | 0 | 0 | 113.3 | ||||
| 449 | T | 32.4 | Very low | 31.9 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | trans | -169.6 | 157 | 131.6 | 8.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 450 | E | 28.2 | Very low | 31.7 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -85.6 | 137.9 | 174.4 | -50.8 | 168.4 | 132.2 | 0 | 0 | 110.5 | ||||
| 451 | E | 30.9 | Very low | 31.4 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -158.1 | 157.1 | 144.2 | -122.7 | 167.8 | -150.6 | 0 | 0 | 111.2 | ||||
| 452 | E | 26 | Very low | 31.1 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -89.1 | -167.3 | 178.6 | -59.1 | -178.3 | 128.7 | 0 | 0 | 111 | ||||
| 453 | V | 31.8 | Very low | 30.8 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | 97.8 | 128.3 | 169.2 | -171.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 454 | E | 27.2 | Very low | 30.7 | Very low | 180 Ų | 180 | 154.6 Ų | 154.6 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -49 | 136.1 | 170.2 | -54 | 156.4 | 147.7 | 0 | 0 | 113.4 | ||||
| 455 | D | 30.6 | Very low | 30.8 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -155.4 | 163.2 | 143.5 | -134.7 | -29.6 | 0 | 0 | 0 | 113 | ||||
| 456 | E | 27.7 | Very low | 31.1 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | trans | -99.9 | 169.8 | -167.5 | -58.8 | -177.4 | 153.8 | 0 | 0 | 114.4 | ||||
| 457 | N | 27.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 155.3 Ų | 155.3 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | 67.2 | 87.5 | 161.1 | -53.6 | -69.2 | 0 | 0 | 0 | 118.3 | ||||
| 458 | V | 27.8 | Very low | 33.3 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -108.8 | 105.5 | 155.9 | 179.3 | 0 | 0 | 0 | 0 | 110 | Y460 | V458-Y460 PolarHBondContact O-N 3.03Š| ||
| 459 | T | 27 | Very low | 35.1 | Very low | 120 Ų | 120 | 150.9 Ų | 150.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 110 | 173.7 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | V461 | T459-V461 HydrophobicContact CG2-CG2 4.43Å; T459-V461 PolarHBondContact O-N 3.46Å | ||
| 460 | Y | 30.2 | Very low | 36.8 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -69.5 | 115 | 167.5 | -113.8 | -98.3 | 0 | 0 | 0 | 109.4 | V458 | V458-Y460 PolarHBondContact O-N 3.03Š| ||
| 461 | V | 32.5 | Very low | 38.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | trans | -98 | 99.3 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | T459 | T459-V461 HydrophobicContact CG2-CG2 4.43Å; T459-V461 PolarHBondContact O-N 3.46Å | ||
| 462 | E | 32.9 | Very low | 40.9 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -65.7 | 131.2 | 174.3 | -65.3 | 179.8 | 155.2 | 0 | 0 | 109.7 | ||||
| 463 | S | 31.6 | Very low | 43.4 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -96.5 | 120.9 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | T465 | S463-T465 PolarHBondContact O-N 3.16Š| ||
| 464 | D | 32.9 | Very low | 45.8 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 89% | 0.893 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -53.8 | 85.5 | -175 | -69.1 | -64.7 | 0 | 0 | 0 | 115.2 | ||
| 465 | T | 36.1 | Very low | 48.4 | Very low | 115 Ų | 115 | 117 Ų | 117 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -160.1 | 153.6 | 157.8 | 11.5 | 0 | 0 | 0 | 0 | 109.1 | S463 | S463-T465 PolarHBondContact O-N 3.16Š|
| 466 | D | 41.8 | Very low | 50.7 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 86% | 0.856 | 60% | 0.597 | S | S | * | * | trans | 63.3 | 46.3 | 173.8 | -54 | -13.6 | 0 | 0 | 0 | 116.6 | D468 | D466-D468 PolarHBondContact O-N 2.92Š| ||
| 467 | L | 48.9 | Very low | 53.3 | Low | 147 Ų | 147 | 108.9 Ų | 108.9 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | trans | -63.6 | 122.3 | 158.8 | -105.1 | 168.4 | 0 | 0 | 0 | 110.3 | E469 | L467-E469 PolarHBondContact O-N 2.87Š| ||
| 468 | D | 64.3 | Low | 56.2 | Low | 100 Ų | 100 | 103.2 Ų | 103.2 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | trans | -55.7 | 125.8 | -178.4 | -169.3 | -25.8 | 0 | 0 | 0 | 112.5 | D466 D470 L471 L472 | D466-D468 PolarHBondContact O-N 2.92Å; D468-D470 VanDerWaalsContact C-N 3.26Å; D468-D470 PolarHBondContact O-N 3.3Å; D468-D470 PolarHBondContact OD1-N 3.15Å; D468-L471 HydrophobicContact CB-CB 4.04Å; D468-L471 PolarHBondContact O-N 3.32Å; D468-L472 PolarHBondContact O-N 3.31Å; D468-L472 VanDerWaalsContact O-N 3.1Å | ||
| 469 | E | 68.6 | Low | 58.8 | Low | 133 Ų | 133 | 100.5 Ų | 100.5 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | -178.9 | -170.8 | -170.4 | 138.3 | 0 | 0 | 110.9 | R314 L467 L472 V473 | R314-E469 IonicContact NH2-OE1 3.84Å; R314-E469 PolarHBondContact NH2-OE1 3.37Å; L467-E469 PolarHBondContact O-N 2.87Å; E469-L472 WeakPolarHBondContact O-CB 3.33Å; E469-L472 PolarHBondContact O-N 2.89Å; E469-V473 VanDerWaalsContact O-CG2 3.3Å; E469-V473 WeakPolarHBondContact O-CG2 3.27Å; E469-V473 PolarHBondContact O-N 2.98Å |
| 470 | D | 69 | Low | 61.6 | Low | 41 Ų | 41 | 98.9 Ų | 98.9 | 22% | 0.219 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -78.6 | -31.5 | -173.6 | -85.1 | -26.6 | 0 | 0 | 0 | 112.4 | E307 R314 D468 V473 Y474 | E307-D470 HydrophobicContact CG-CB 4.12Å; R314-D470 IonicContact CZ-OD1 2.85Å; R314-D470 IonicContact NH1-OD1 3.65Å; R314-D470 PolarHBondContact NH1-OD1 2.79Å; R314-D470 IonicContact NH1-OD2 2.65Å; R314-D470 PolarHBondContact NH1-OD2 3.28Å; R314-D470 IonicContact NH2-OD1 3.76Å; R314-D470 PolarHBondContact NH2-OD1 2.82Å; D468-D470 VanDerWaalsContact C-N 3.26Å; D468-D470 PolarHBondContact O-N 3.3Å; D468-D470 PolarHBondContact OD1-N 3.15Å; D470-V473 PolarHBondContact O-N 2.86Å; D470-Y474 PolarHBondContact O-N 2.87Å |
| 471 | L | 71.8 | Confident | 64.4 | Low | 62 Ų | 62 | 90 Ų | 90 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 166.8 | -178.8 | 61.3 | 0 | 0 | 0 | 111.9 | D468 Y474 K475 | D468-L471 HydrophobicContact CB-CB 4.04Å; D468-L471 PolarHBondContact O-N 3.32Å; L471-Y474 PolarHBondContact O-N 3.11Å; L471-K475 PolarHBondContact O-N 3.13Å |
| 472 | L | 73.5 | Confident | 67.1 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 175.3 | -179.8 | 62.2 | 0 | 0 | 0 | 111.2 | D468 E469 Y474 K475 M476 | D468-L472 PolarHBondContact O-N 3.31Å; D468-L472 VanDerWaalsContact O-N 3.1Å; E469-L472 WeakPolarHBondContact O-CB 3.33Å; E469-L472 PolarHBondContact O-N 2.89Å; L472-Y474 VanDerWaalsContact C-N 3.33Å; L472-Y474 PolarHBondContact O-N 2.83Å; L472-K475 PolarHBondContact O-N 2.84Å; L472-M476 WeakPolarHBondContact O-CG 3.41Å; L472-M476 PolarHBondContact O-N 3.06Å |
| 473 | V | 78.5 | Confident | 69.7 | Low | 37 Ų | 37 | 78.6 Ų | 78.6 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | F306 E469 D470 M476 H477 | F306-V473 HydrophobicContact CE1-CG1 4.02Å; F306-V473 HydrophobicContact CZ-CG1 4.11Å; E469-V473 VanDerWaalsContact O-CG2 3.3Å; E469-V473 WeakPolarHBondContact O-CG2 3.27Å; E469-V473 PolarHBondContact O-N 2.98Å; D470-V473 PolarHBondContact O-N 2.86Å; V473-M476 PolarHBondContact O-N 3.47Å; V473-H477 WeakPolarHBondContact O-CB 3.45Å; V473-H477 PolarHBondContact O-N 3.38Å |
| 474 | Y | 81.5 | Confident | 72.3 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 0% | 0.004 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 173.3 | -172.5 | -118.6 | 0 | 0 | 0 | 112.6 | E302 R303 F306 D470 L471 L472 M476 H477 R478 | E302-Y474 VanDerWaalsContact CD-OH 3.25Å; E302-Y474 PolarHBondContact OE2-OH 3.48Å; R303-Y474 HydrophobicContact CG-CD1 3.76Å; R303-Y474 HydrophobicContact CG-CE1 3.55Å; R303-Y474 HydrophobicContact CG-CG 4.33Å; F306-Y474 HydrophobicContact CB-CD2 4.33Å; F306-Y474 HydrophobicContact CB-CE2 4.44Å; F306-Y474 AromaticContact CD1-CD2 3.57Å; F306-Y474 HydrophobicContact CD1-CD2 3.57Å; F306-Y474 HydrophobicContact CD1-CE2 4.44Å; F306-Y474 HydrophobicContact CD1-CG 4.33Å; F306-Y474 HydrophobicContact CD2-CD2 4.42Å; F306-Y474 AromaticContact CE1-CD2 3.94Å; F306-Y474 HydrophobicContact CE1-CD2 3.94Å; F306-Y474 AromaticContact CG-CD2 3.84Å; F306-Y474 HydrophobicContact CG-CD2 3.84Å; F306-Y474 HydrophobicContact CG-CE2 4.29Å; D470-Y474 PolarHBondContact O-N 2.87Å; L471-Y474 PolarHBondContact O-N 3.11Å; L472-Y474 VanDerWaalsContact C-N 3.33Å; L472-Y474 PolarHBondContact O-N 2.83Å; Y474-M476 VanDerWaalsContact C-N 3.33Å; Y474-M476 PolarHBondContact O-N 2.63Å; Y474-H477 PolarHBondContact O-N 2.88Å; Y474-R478 VanDerWaalsContact CE1-CD 3.47Å; Y474-R478 HydrophobicContact CE1-CG 4.3Å; Y474-R478 HydrophobicContact CE2-CG 4.41Å; Y474-R478 PolarHBondContact O-N 3.34Å |
| 475 | K | 81.1 | Confident | 74.9 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 174.8 | -75.1 | -172.6 | 170.7 | -168.1 | 0 | 111.4 | L471 L472 R479 D496 | L471-K475 PolarHBondContact O-N 3.13Å; L472-K475 PolarHBondContact O-N 2.84Å; K475-R479 PolarHBondContact O-N 2.91Å; K475-R479 VanDerWaalsContact O-N 3.17Å; K475-D496 IonicContact NZ-OD1 2.71Å; K475-D496 IonicContact NZ-OD2 2.83Å; K475-D496 PolarHBondContact NZ-OD2 3.12Å |
| 476 | M | 79 | Confident | 77.4 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 172.5 | -72.7 | -174.3 | 69.1 | 0 | 0 | 112.7 | L472 V473 Y474 R478 R479 D480 | L472-M476 WeakPolarHBondContact O-CG 3.41Å; L472-M476 PolarHBondContact O-N 3.06Å; V473-M476 PolarHBondContact O-N 3.47Å; Y474-M476 VanDerWaalsContact C-N 3.33Å; Y474-M476 PolarHBondContact O-N 2.63Å; M476-R478 PolarHBondContact O-N 3.32Å; M476-R479 PolarHBondContact O-N 2.97Å; M476-D480 PolarHBondContact O-N 2.87Å |
| 477 | H | 83.1 | Confident | 79.4 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.292 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 178.6 | 174.4 | -107.4 | 0 | 0 | 0 | 112.5 | F306 V473 Y474 D480 Y481 F539 | F306-H477 AromaticContact CD2-ND1 3.87Å; F306-H477 HydrophobicContact CE1-CB 4.46Å; F306-H477 HydrophobicContact CE2-CB 3.79Å; F306-H477 AromaticContact CE2-CD2 3.72Å; F306-H477 AromaticContact CE2-CE1 3.8Å; F306-H477 AromaticContact CE2-CG 3.37Å; F306-H477 AromaticContact CE2-ND1 3.43Å; F306-H477 WeakPolarHBondContact CE2-ND1 3.49Å; F306-H477 AromaticContact CE2-NE2 3.98Å; F306-H477 HydrophobicContact CZ-CB 3.55Å; F306-H477 AromaticContact CZ-CG 3.71Å; V473-H477 WeakPolarHBondContact O-CB 3.45Å; V473-H477 PolarHBondContact O-N 3.38Å; Y474-H477 PolarHBondContact O-N 2.88Å; H477-D480 PolarHBondContact O-N 3.5Å; H477-Y481 WeakPolarHBondContact O-CB 3.48Å; H477-Y481 PolarHBondContact O-N 2.74Å; H477-F539 AromaticContact CE1-CE1 3.89Å; H477-F539 AromaticContact CE1-CZ 3.76Å; H477-F539 AromaticContact ND1-CZ 3.91Å |
| 478 | R | 87.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 173.5 | -81.7 | 173.5 | 59.6 | -138.7 | -1 | 111.5 | Y474 M476 D480 Y481 Y482 F539 H541 D542 | Y474-R478 VanDerWaalsContact CE1-CD 3.47Å; Y474-R478 HydrophobicContact CE1-CG 4.3Å; Y474-R478 HydrophobicContact CE2-CG 4.41Å; Y474-R478 PolarHBondContact O-N 3.34Å; M476-R478 PolarHBondContact O-N 3.32Å; R478-D480 PolarHBondContact O-N 2.76Å; R478-Y481 WeakPolarHBondContact O-CB 3.41Å; R478-Y481 PolarHBondContact O-N 2.98Å; R478-Y482 WeakPolarHBondContact O-CD2 3.36Å; R478-Y482 PolarHBondContact O-N 2.94Å; R478-F539 HydrophobicContact CB-CE2 4.32Å; R478-F539 HydrophobicContact CG-CD2 3.77Å; R478-F539 HydrophobicContact CG-CE2 3.77Å; R478-F539 HydrophobicContact CG-CG 4.26Å; R478-F539 HydrophobicContact CG-CZ 4.28Å; R478-H541 PolarHBondContact NH1-CD2 3.34Å; R478-H541 VanDerWaalsContact NH1-CD2 3.32Å; R478-H541 PolarHBondContact NH1-NE2 3.05Å; R478-H541 VanDerWaalsContact NH1-NE2 3.18Å; R478-H541 PolarHBondContact NH2-CD2 2.85Å; R478-D542 IonicContact CZ-OD1 3.69Å; R478-D542 IonicContact CZ-OD2 3.69Å; R478-D542 IonicContact NE-OD1 2.75Å; R478-D542 IonicContact NE-OD2 3.38Å; R478-D542 PolarHBondContact NE-OD2 3.21Å; R478-D542 IonicContact NH2-OD1 3.28Å; R478-D542 PolarHBondContact NH2-OD1 2.9Å; R478-D542 IonicContact NH2-OD2 3.8Å; R478-D542 PolarHBondContact NH2-OD2 2.61Å |
| 479 | R | 83.7 | Confident | 81.9 | Confident | 76 Ų | 76 | 61 Ų | 61 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.6 | -172.9 | -173 | 67.8 | -169.3 | -7.4 | 112.2 | K475 M476 Y481 Y482 S483 L490 E492 | K475-R479 PolarHBondContact O-N 2.91Å; K475-R479 VanDerWaalsContact O-N 3.17Å; M476-R479 PolarHBondContact O-N 2.97Å; R479-Y481 VanDerWaalsContact C-N 3.31Å; R479-Y481 PolarHBondContact O-N 2.84Å; R479-Y482 PolarHBondContact O-N 2.98Å; R479-S483 WeakPolarHBondContact O-CB 3.23Å; R479-S483 PolarHBondContact O-N 3.14Å; R479-L490 HydrophobicContact CG-CB 4.37Å; R479-E492 IonicContact CZ-OE1 2.67Å; R479-E492 IonicContact NH1-OE1 2.8Å; R479-E492 PolarHBondContact NH1-OE1 3.26Å |
| 480 | D | 84.4 | Confident | 82.2 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | -178.7 | -74.7 | 13.2 | 0 | 0 | 0 | 111.4 | M476 H477 R478 S484 | M476-D480 PolarHBondContact O-N 2.87Å; H477-D480 PolarHBondContact O-N 3.5Å; R478-D480 PolarHBondContact O-N 2.76Å; D480-S484 WeakPolarHBondContact O-CB 3.4Å; D480-S484 PolarHBondContact O-N 3.45Å; D480-S484 PolarHBondContact O-OG 2.78Å |
| 481 | Y | 89 | Confident | 81.8 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -58.3 | 171.6 | 176.5 | -93.3 | 0 | 0 | 0 | 111.9 | P253 H477 R478 R479 S483 S484 K485 L486 A537 F539 | P253-Y481 HydrophobicContact CG-CE1 4.18Å; P253-Y481 HydrophobicContact CG-CE2 4.07Å; P253-Y481 WeakPolarHBondContact CG-OH 3.44Å; H477-Y481 WeakPolarHBondContact O-CB 3.48Å; H477-Y481 PolarHBondContact O-N 2.74Å; R478-Y481 WeakPolarHBondContact O-CB 3.41Å; R478-Y481 PolarHBondContact O-N 2.98Å; R479-Y481 VanDerWaalsContact C-N 3.31Å; R479-Y481 PolarHBondContact O-N 2.84Å; Y481-S483 VanDerWaalsContact C-N 3.29Å; Y481-S483 PolarHBondContact O-N 2.93Å; Y481-S484 PolarHBondContact O-N 2.81Å; Y481-K485 HydrophobicContact CD2-CG 3.98Å; Y481-K485 HydrophobicContact CE2-CG 4.01Å; Y481-K485 HydrophobicContact CG-CG 4.5Å; Y481-K485 VanDerWaalsContact O-CB 3.3Å; Y481-K485 WeakPolarHBondContact O-CB 3.15Å; Y481-K485 WeakPolarHBondContact O-CG 3.29Å; Y481-K485 PolarHBondContact O-N 3.36Å; Y481-L486 HydrophobicContact CE1-CD1 4.42Å; Y481-A537 PolarHBondContact OH-O 2.75Å; Y481-A537 VanDerWaalsContact OH-O 3.06Å; Y481-F539 HydrophobicContact CD1-CD2 4.24Å; Y481-F539 AromaticContact CD1-CE2 3.39Å; Y481-F539 HydrophobicContact CD1-CE2 3.39Å; Y481-F539 AromaticContact CD1-CZ 3.95Å; Y481-F539 HydrophobicContact CD1-CZ 3.95Å; Y481-F539 HydrophobicContact CD2-CE2 4.4Å; Y481-F539 HydrophobicContact CD2-CZ 4.13Å; Y481-F539 HydrophobicContact CE1-CE2 4.03Å; Y481-F539 AromaticContact CG-CE2 3.61Å; Y481-F539 HydrophobicContact CG-CE2 3.61Å; Y481-F539 AromaticContact CG-CZ 3.72Å; Y481-F539 HydrophobicContact CG-CZ 3.72Å |
| 482 | Y | 90.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | -177.3 | -76.2 | -63.2 | 0 | 0 | 0 | 112.2 | R478 R479 L486 G487 I488 L490 L503 P538 F539 D542 | R478-Y482 WeakPolarHBondContact O-CD2 3.36Å; R478-Y482 PolarHBondContact O-N 2.94Å; R479-Y482 PolarHBondContact O-N 2.98Å; Y482-L486 HydrophobicContact CD1-CD1 3.77Å; Y482-L486 HydrophobicContact CE1-CD1 4.11Å; Y482-L486 CarbonylContact O-C 3.56Å; Y482-L486 WeakPolarHBondContact O-CA 3.46Å; Y482-L486 WeakPolarHBondContact O-CB 3.38Å; Y482-L486 PolarHBondContact O-N 3.36Å; Y482-L486 VanDerWaalsContact O-N 3.13Å; Y482-G487 PolarHBondContact O-N 3.01Å; Y482-I488 CarbonylContact C-O 3.59Å; Y482-I488 VanDerWaalsContact C-O 3.29Å; Y482-I488 PolarHBondContact O-N 3.01Å; Y482-L490 HydrophobicContact CD2-CD1 3.95Å; Y482-L503 HydrophobicContact CD1-CD1 4.12Å; Y482-L503 HydrophobicContact CE1-CD1 3.54Å; Y482-L503 HydrophobicContact CE2-CD1 4.32Å; Y482-P538 VanDerWaalsContact OH-CA 3.31Å; Y482-P538 WeakPolarHBondContact OH-CA 3.48Å; Y482-P538 WeakPolarHBondContact OH-CB 3.49Å; Y482-F539 AromaticContact CE2-CD2 3.75Å; Y482-F539 HydrophobicContact CE2-CD2 3.75Å; Y482-F539 HydrophobicContact CE2-CE2 4.08Å; Y482-F539 AromaticContact CZ-CD2 3.92Å; Y482-F539 PolarHBondContact OH-N 3.23Å; Y482-D542 WeakPolarHBondContact OH-CB 3.49Å; Y482-D542 PolarHBondContact OH-OD2 2.89Å |
| 483 | S | 86.7 | Confident | 79.5 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.5 | -45 | 177.4 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | R479 Y481 G487 I488 | R479-S483 WeakPolarHBondContact O-CB 3.23Å; R479-S483 PolarHBondContact O-N 3.14Å; Y481-S483 VanDerWaalsContact C-N 3.29Å; Y481-S483 PolarHBondContact O-N 2.93Å; S483-G487 WeakPolarHBondContact O-CA 3.47Å; S483-G487 PolarHBondContact O-N 3.14Å; S483-I488 VanDerWaalsContact CA-O 3.3Å; S483-I488 WeakPolarHBondContact CA-O 3.28Å; S483-I488 PolarHBondContact N-O 3.42Å |
| 484 | S | 86.5 | Confident | 77.8 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82.6 | -28.5 | -175.5 | 66 | 0 | 0 | 0 | 0 | 114.9 | D480 Y481 | D480-S484 WeakPolarHBondContact O-CB 3.4Å; D480-S484 PolarHBondContact O-N 3.45Å; D480-S484 PolarHBondContact O-OG 2.78Å; Y481-S484 PolarHBondContact O-N 2.81Å |
| 485 | K | 88.9 | Confident | 75.8 | Confident | 64 Ų | 64 | 74.8 Ų | 74.8 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -97.5 | -33.1 | -177.3 | -59.7 | -60 | -175 | 173.7 | 0 | 113.7 | Y481 Y536 D617 | Y481-K485 HydrophobicContact CD2-CG 3.98Å; Y481-K485 HydrophobicContact CE2-CG 4.01Å; Y481-K485 HydrophobicContact CG-CG 4.5Å; Y481-K485 VanDerWaalsContact O-CB 3.3Å; Y481-K485 WeakPolarHBondContact O-CB 3.15Å; Y481-K485 WeakPolarHBondContact O-CG 3.29Å; Y481-K485 PolarHBondContact O-N 3.36Å; K485-Y536 HydrophobicContact CB-CD1 4.43Å; K485-Y536 HydrophobicContact CB-CD2 3.88Å; K485-Y536 HydrophobicContact CB-CE1 4.45Å; K485-Y536 HydrophobicContact CB-CE2 3.9Å; K485-Y536 HydrophobicContact CB-CG 4.15Å; K485-Y536 HydrophobicContact CD-CE1 4Å; K485-Y536 HydrophobicContact CD-CE2 4.4Å; K485-Y536 HydrophobicContact CG-CE1 4.49Å; K485-Y536 WeakPolarHBondContact O-CD2 3.45Å; K485-Y536 WeakPolarHBondContact O-CE2 3.14Å; K485-D617 IonicContact NZ-OD1 3.4Å; K485-D617 PolarHBondContact NZ-OD1 2.79Å; K485-D617 IonicContact NZ-OD2 3.23Å; K485-D617 PolarHBondContact NZ-OD2 2.9Å |
| 486 | L | 87.3 | Confident | 74.3 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -124.1 | -5.9 | -171.4 | -71 | 159 | 0 | 0 | 0 | 113.3 | Y481 Y482 I488 L506 Y536 | Y481-L486 HydrophobicContact CE1-CD1 4.42Å; Y482-L486 HydrophobicContact CD1-CD1 3.77Å; Y482-L486 HydrophobicContact CE1-CD1 4.11Å; Y482-L486 CarbonylContact O-C 3.56Å; Y482-L486 WeakPolarHBondContact O-CA 3.46Å; Y482-L486 WeakPolarHBondContact O-CB 3.38Å; Y482-L486 PolarHBondContact O-N 3.36Å; Y482-L486 VanDerWaalsContact O-N 3.13Å; L486-I488 HydrophobicContact CB-CD1 4.07Å; L486-I488 HydrophobicContact CB-CG1 4.1Å; L486-I488 PolarHBondContact O-N 2.93Å; L486-L506 HydrophobicContact CD1-CD1 3.63Å; L486-L506 HydrophobicContact CD2-CD1 3.93Å; L486-L506 HydrophobicContact CG-CD1 4.36Å; L486-Y536 HydrophobicContact CD2-CD2 4.09Å; L486-Y536 HydrophobicContact CG-CD2 4.2Å |
| 487 | G | 85.4 | Confident | 72.9 | Confident | 58 Ų | 58 | 78 Ų | 78 | 60% | 0.598 | 43% | 0.432 | S | S | * | . | trans | 71.6 | 5.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y482 S483 | Y482-G487 PolarHBondContact O-N 3.01Å; S483-G487 WeakPolarHBondContact O-CA 3.47Å; S483-G487 PolarHBondContact O-N 3.14Å | ||
| 488 | I | 84.8 | Confident | 71.3 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.092 | 44% | 0.443 | C | S | . | . | trans | -82.6 | 121.9 | -176.3 | -61.1 | 173.5 | 0 | 0 | 0 | 108.9 | Y482 S483 L486 L490 L503 L506 | Y482-I488 CarbonylContact C-O 3.59Å; Y482-I488 VanDerWaalsContact C-O 3.29Å; Y482-I488 PolarHBondContact O-N 3.01Å; S483-I488 VanDerWaalsContact CA-O 3.3Å; S483-I488 WeakPolarHBondContact CA-O 3.28Å; S483-I488 PolarHBondContact N-O 3.42Å; L486-I488 HydrophobicContact CB-CD1 4.07Å; L486-I488 HydrophobicContact CB-CG1 4.1Å; L486-I488 PolarHBondContact O-N 2.93Å; I488-L490 HydrophobicContact CG2-CD2 4.1Å; I488-L503 HydrophobicContact CG2-CB 4.45Å; I488-L506 HydrophobicContact CD1-CD1 4.24Å | ||
| 489 | Q | 79.5 | Confident | 69.7 | Low | 145 Ų | 145 | 84.9 Ų | 84.9 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | trans | -88.8 | 139.7 | 172.3 | -64.3 | 179.7 | -4 | 0 | 0 | 109.7 | N500 | Q489-N500 PolarHBondContact O-ND2 3.35Š| ||
| 490 | L | 74.4 | Confident | 68.7 | Low | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 48% | 0.48 | C | S | . | . | trans | -113.8 | 120.4 | 173.5 | -53.8 | -177.4 | 0 | 0 | 0 | 108 | R479 Y482 I488 L503 | R479-L490 HydrophobicContact CG-CB 4.37Å; Y482-L490 HydrophobicContact CD2-CD1 3.95Å; I488-L490 HydrophobicContact CG2-CD2 4.1Å; L490-L503 HydrophobicContact CD2-CD2 3.95Å | ||
| 491 | D | 62.5 | Low | 68 | Low | 130 Ų | 130 | 84.1 Ų | 84.1 | 70% | 0.695 | 49% | 0.488 | S | S | * | . | trans | -84.1 | 135.9 | -179.4 | -80.5 | -38.3 | 0 | 0 | 0 | 111.7 | M493 S494 | D491-M493 VanDerWaalsContact C-N 3.28Å; D491-M493 PolarHBondContact O-N 3.1Å; D491-S494 PolarHBondContact O-OG 3Å | ||
| 492 | E | 51.9 | Low | 67.8 | Low | 163 Ų | 163 | 86.6 Ų | 86.6 | 76% | 0.762 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.3 | -173.9 | -65.3 | 174.1 | 168.1 | 0 | 0 | 113.6 | R479 | R479-E492 IonicContact CZ-OE1 2.67Å; R479-E492 IonicContact NH1-OE1 2.8Å; R479-E492 PolarHBondContact NH1-OE1 3.26Å |
| 493 | M | 43.7 | Very low | 67.6 | Low | 195 Ų | 195 | 87.2 Ų | 87.2 | 96% | 0.961 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -13.9 | -177.9 | -67.6 | -162.6 | -177.1 | 0 | 0 | 115 | D491 G495 | D491-M493 VanDerWaalsContact C-N 3.28Å; D491-M493 PolarHBondContact O-N 3.1Å; M493-G495 PolarHBondContact O-N 3.04Å |
| 494 | S | 42.4 | Very low | 67.7 | Low | 74 Ų | 74 | 86.2 Ų | 86.2 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -93.4 | 80.3 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | D491 D496 | D491-S494 PolarHBondContact O-OG 3Å; S494-D496 PolarHBondContact O-N 2.95Å |
| 495 | G | 40.4 | Very low | 67.9 | Low | 57 Ų | 57 | 84.2 Ų | 84.2 | 59% | 0.588 | 48% | 0.484 | S | S | * | . | trans | -57.2 | 107.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M493 L497 | M493-G495 PolarHBondContact O-N 3.04Å; G495-L497 WeakPolarHBondContact O-CB 3.41Å; G495-L497 WeakPolarHBondContact O-CG 3.3Å; G495-L497 PolarHBondContact O-N 3.22Å | ||
| 496 | D | 50.1 | Low | 68.1 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | S | Bend | trans | 45.7 | 16.7 | 172.2 | -71.1 | -47.1 | 0 | 0 | 0 | 117.4 | K475 S494 | K475-D496 IonicContact NZ-OD1 2.71Å; K475-D496 IonicContact NZ-OD2 2.83Å; K475-D496 PolarHBondContact NZ-OD2 3.12Å; S494-D496 PolarHBondContact O-N 2.95Å |
| 497 | L | 49.5 | Very low | 68.4 | Low | 142 Ų | 142 | 79.1 Ų | 79.1 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | trans | -132.1 | 92.9 | -171.5 | -69 | 174 | 0 | 0 | 0 | 114.8 | G495 E499 | G495-L497 WeakPolarHBondContact O-CB 3.41Å; G495-L497 WeakPolarHBondContact O-CG 3.3Å; G495-L497 PolarHBondContact O-N 3.22Å; L497-E499 PolarHBondContact O-N 2.91Å; L497-E499 VanDerWaalsContact O-N 3.1Å | ||
| 498 | G | 50 | Low | 68.7 | Low | 50 Ų | 50 | 79.5 Ų | 79.5 | 52% | 0.515 | 45% | 0.446 | S | S | . | . | S | Bend | 87.7 | -32.2 | 127 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||
| 499 | E | 52.8 | Low | 69.2 | Low | 180 Ų | 180 | 79.8 Ų | 79.8 | 84% | 0.841 | 45% | 0.448 | S | S | * | . | trans | -93.8 | -6.7 | -161.3 | -65 | -153.3 | 150.2 | 0 | 0 | 118.1 | L497 S501 | L497-E499 PolarHBondContact O-N 2.91Å; L497-E499 VanDerWaalsContact O-N 3.1Å; E499-S501 PolarHBondContact O-N 2.94Å | ||
| 500 | N | 62.1 | Low | 69.9 | Low | 56 Ų | 56 | 73 Ų | 73 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | trans | -72.9 | 93.4 | 171.9 | -169.9 | -25.4 | 0 | 0 | 0 | 111 | Q489 T502 L503 M504 | Q489-N500 PolarHBondContact O-ND2 3.35Å; N500-T502 PolarHBondContact O-N 3.48Å; N500-T502 VanDerWaalsContact O-N 3.15Å; N500-T502 PolarHBondContact OD1-N 2.86Å; N500-T502 VanDerWaalsContact OD1-N 3.12Å; N500-T502 PolarHBondContact OD1-OG1 3.36Å; N500-L503 HydrophobicContact CB-CB 4.42Å; N500-L503 PolarHBondContact O-N 3.24Å; N500-M504 WeakPolarHBondContact O-CB 3.45Å; N500-M504 PolarHBondContact O-N 3.31Å | ||
| 501 | S | 70.9 | Confident | 70.9 | Confident | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.4 | -28.9 | -177.6 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | E499 S505 | E499-S501 PolarHBondContact O-N 2.94Å; S501-S505 WeakPolarHBondContact O-CB 3.43Å; S501-S505 PolarHBondContact O-N 3.31Å |
| 502 | T | 83.3 | Confident | 72.4 | Confident | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73 | -47.9 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | N500 M504 S505 L506 | N500-T502 PolarHBondContact O-N 3.48Å; N500-T502 VanDerWaalsContact O-N 3.15Å; N500-T502 PolarHBondContact OD1-N 2.86Å; N500-T502 VanDerWaalsContact OD1-N 3.12Å; N500-T502 PolarHBondContact OD1-OG1 3.36Å; T502-M504 VanDerWaalsContact C-N 3.33Å; T502-M504 PolarHBondContact O-N 2.78Å; T502-S505 PolarHBondContact O-N 2.94Å; T502-L506 PolarHBondContact O-N 3.49Å; T502-L506 VanDerWaalsContact O-N 3.12Å |
| 503 | L | 87.1 | Confident | 74.5 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174 | 177 | 59.9 | 0 | 0 | 0 | 110.9 | Y482 I488 L490 N500 S505 L506 I507 | Y482-L503 HydrophobicContact CD1-CD1 4.12Å; Y482-L503 HydrophobicContact CE1-CD1 3.54Å; Y482-L503 HydrophobicContact CE2-CD1 4.32Å; I488-L503 HydrophobicContact CG2-CB 4.45Å; L490-L503 HydrophobicContact CD2-CD2 3.95Å; N500-L503 HydrophobicContact CB-CB 4.42Å; N500-L503 PolarHBondContact O-N 3.24Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.32Å; L503-L506 PolarHBondContact O-N 3.43Å; L503-I507 HydrophobicContact CD1-CD1 4.02Å; L503-I507 HydrophobicContact CD1-CG1 4.29Å; L503-I507 HydrophobicContact CG-CD1 3.79Å; L503-I507 WeakPolarHBondContact O-CD1 3.15Å; L503-I507 WeakPolarHBondContact O-CG1 3.4Å; L503-I507 PolarHBondContact O-N 2.81Å |
| 504 | M | 88.6 | Confident | 76.9 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 178 | -177.9 | 53.1 | 63.5 | 0 | 0 | 112.5 | N500 T502 Q508 L545 Y546 | N500-M504 WeakPolarHBondContact O-CB 3.45Å; N500-M504 PolarHBondContact O-N 3.31Å; T502-M504 VanDerWaalsContact C-N 3.33Å; T502-M504 PolarHBondContact O-N 2.78Å; M504-Q508 WeakPolarHBondContact O-CB 3.41Å; M504-Q508 WeakPolarHBondContact O-CG 3.43Å; M504-Q508 PolarHBondContact O-N 3.31Å; M504-Q508 HydrophobicContact SD-CG 4.45Å; M504-L545 HydrophobicContact CE-CB 4.1Å; M504-Y546 HydrophobicContact SD-CD2 4.01Å |
| 505 | S | 90.2 | Very high | 79.4 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 172.5 | -161.3 | 0 | 0 | 0 | 0 | 112.3 | S501 T502 L503 Q508 D509 | S501-S505 WeakPolarHBondContact O-CB 3.43Å; S501-S505 PolarHBondContact O-N 3.31Å; T502-S505 PolarHBondContact O-N 2.94Å; L503-S505 VanDerWaalsContact C-N 3.33Å; L503-S505 PolarHBondContact O-N 3.32Å; S505-Q508 WeakPolarHBondContact O-CB 3.46Å; S505-Q508 PolarHBondContact O-N 3.13Å; S505-D509 PolarHBondContact O-N 3.38Å |
| 506 | L | 92.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 177.9 | -177.6 | 156.3 | 0 | 0 | 0 | 111.7 | L486 I488 T502 L503 Y510 Y532 Y534 P538 | L486-L506 HydrophobicContact CD1-CD1 3.63Å; L486-L506 HydrophobicContact CD2-CD1 3.93Å; L486-L506 HydrophobicContact CG-CD1 4.36Å; I488-L506 HydrophobicContact CD1-CD1 4.24Å; T502-L506 PolarHBondContact O-N 3.49Å; T502-L506 VanDerWaalsContact O-N 3.12Å; L503-L506 PolarHBondContact O-N 3.43Å; L506-Y510 WeakPolarHBondContact O-CB 3.43Å; L506-Y510 PolarHBondContact O-N 3.32Å; L506-Y532 WeakPolarHBondContact CD2-OH 3.49Å; L506-Y532 WeakPolarHBondContact CG-OH 3.34Å; L506-Y534 HydrophobicContact CB-CD1 4.46Å; L506-Y534 HydrophobicContact CB-CE1 4.09Å; L506-Y534 HydrophobicContact CB-CE2 4.23Å; L506-Y534 HydrophobicContact CD1-CD1 3.72Å; L506-Y534 HydrophobicContact CD1-CE1 4.12Å; L506-Y534 HydrophobicContact CD1-CG 3.95Å; L506-Y534 HydrophobicContact CG-CD1 4.14Å; L506-Y534 HydrophobicContact CG-CD2 4.14Å; L506-Y534 HydrophobicContact CG-CE1 4.28Å; L506-Y534 HydrophobicContact CG-CE2 4.3Å; L506-Y534 HydrophobicContact CG-CG 4.07Å; L506-P538 HydrophobicContact CD2-CB 3.78Å; L506-P538 HydrophobicContact CD2-CG 3.94Å |
| 507 | I | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174 | -66.1 | 157.7 | 0 | 0 | 0 | 111 | L503 Y510 I511 P538 D542 L543 L545 Y546 | L503-I507 HydrophobicContact CD1-CD1 4.02Å; L503-I507 HydrophobicContact CD1-CG1 4.29Å; L503-I507 HydrophobicContact CG-CD1 3.79Å; L503-I507 WeakPolarHBondContact O-CD1 3.15Å; L503-I507 WeakPolarHBondContact O-CG1 3.4Å; L503-I507 PolarHBondContact O-N 2.81Å; I507-Y510 PolarHBondContact O-N 3.36Å; I507-I511 HydrophobicContact CG2-CD1 3.82Å; I507-I511 WeakPolarHBondContact O-CG1 3.31Å; I507-I511 PolarHBondContact O-N 3.06Å; I507-I511 VanDerWaalsContact O-N 3.08Å; I507-P538 HydrophobicContact CG1-CB 4.14Å; I507-P538 HydrophobicContact CG1-CG 4.43Å; I507-D542 HydrophobicContact CD1-CB 4.23Å; I507-D542 VanDerWaalsContact CD1-O 3.32Å; I507-D542 WeakPolarHBondContact CD1-O 3.38Å; I507-L543 HydrophobicContact CG2-CD2 4.13Å; I507-L545 HydrophobicContact CD1-CB 4.49Å; I507-L545 HydrophobicContact CD1-CD1 4.09Å; I507-Y546 HydrophobicContact CG2-CG 4.48Å |
| 508 | Q | 92.9 | Very high | 86.1 | Confident | 66 Ų | 66 | 32.8 Ų | 32.8 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 178.2 | -84 | 179.3 | 47.3 | 0 | 0 | 112.3 | M504 S505 Y510 I511 R512 Y546 | M504-Q508 WeakPolarHBondContact O-CB 3.41Å; M504-Q508 WeakPolarHBondContact O-CG 3.43Å; M504-Q508 PolarHBondContact O-N 3.31Å; M504-Q508 HydrophobicContact SD-CG 4.45Å; S505-Q508 WeakPolarHBondContact O-CB 3.46Å; S505-Q508 PolarHBondContact O-N 3.13Å; Q508-Y510 VanDerWaalsContact C-N 3.28Å; Q508-Y510 PolarHBondContact O-N 3.15Å; Q508-I511 PolarHBondContact O-N 3.38Å; Q508-R512 WeakPolarHBondContact O-CB 2.99Å; Q508-R512 WeakPolarHBondContact O-CD 3.37Å; Q508-R512 WeakPolarHBondContact O-CG 3.4Å; Q508-R512 PolarHBondContact O-N 2.97Å; Q508-Y546 HydrophobicContact CB-CE2 4.47Å; Q508-Y546 HydrophobicContact CG-CD2 3.33Å; Q508-Y546 HydrophobicContact CG-CE2 3.2Å; Q508-Y546 HydrophobicContact CG-CG 4.08Å |
| 509 | D | 94.1 | Very high | 88 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -31.4 | -179.6 | -67.5 | -38.2 | 0 | 0 | 0 | 112 | S505 R512 M513 Y532 Y534 | S505-D509 PolarHBondContact O-N 3.38Å; D509-R512 IonicContact OD1-CZ 2.75Å; D509-R512 IonicContact OD1-NH1 3.62Å; D509-R512 PolarHBondContact OD1-NH1 3.15Å; D509-M513 WeakPolarHBondContact O-CB 3.4Å; D509-M513 PolarHBondContact O-N 3.19Å; D509-Y532 HydrophobicContact CB-CD2 4.15Å; D509-Y532 HydrophobicContact CB-CE2 4.35Å; D509-Y534 HydrophobicContact CB-CE2 4.17Å; D509-Y534 PolarHBondContact OD2-OH 3.43Å |
| 510 | Y | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -49.8 | 173.5 | -165.2 | -93.7 | 0 | 0 | 0 | 111.9 | I249 I252 L506 I507 Q508 M513 L514 Y532 A537 P538 L543 | I249-Y510 HydrophobicContact CB-CE2 4.26Å; I249-Y510 HydrophobicContact CD1-CE1 4.42Å; I249-Y510 HydrophobicContact CD1-CE2 3.78Å; I249-Y510 HydrophobicContact CG1-CE2 4.39Å; I252-Y510 HydrophobicContact CD1-CE1 4.46Å; I252-Y510 HydrophobicContact CG1-CE1 4.37Å; I252-Y510 WeakPolarHBondContact CG1-OH 3.27Å; L506-Y510 WeakPolarHBondContact O-CB 3.43Å; L506-Y510 PolarHBondContact O-N 3.32Å; I507-Y510 PolarHBondContact O-N 3.36Å; Q508-Y510 VanDerWaalsContact C-N 3.28Å; Q508-Y510 PolarHBondContact O-N 3.15Å; Y510-M513 WeakPolarHBondContact O-CA 3.14Å; Y510-M513 WeakPolarHBondContact O-CB 3.38Å; Y510-M513 PolarHBondContact O-N 3Å; Y510-M513 VanDerWaalsContact O-N 3.09Å; Y510-L514 HydrophobicContact CD1-CD1 4.24Å; Y510-L514 HydrophobicContact CD1-CG 4.37Å; Y510-L514 HydrophobicContact CE1-CD1 4.07Å; Y510-L514 HydrophobicContact CE1-CD2 4.31Å; Y510-L514 HydrophobicContact CE1-CG 4.21Å; Y510-L514 PolarHBondContact O-N 2.74Å; Y510-Y532 HydrophobicContact CD2-CD2 4.46Å; Y510-Y532 HydrophobicContact CD2-CE1 4.4Å; Y510-Y532 AromaticContact CD2-CE2 3.86Å; Y510-Y532 HydrophobicContact CD2-CE2 3.86Å; Y510-Y532 AromaticContact CD2-CZ 3.8Å; Y510-Y532 HydrophobicContact CG-CE2 4.32Å; Y510-A537 HydrophobicContact CD2-CB 4.16Å; Y510-A537 HydrophobicContact CE2-CB 3.56Å; Y510-P538 HydrophobicContact CD1-CG 4.36Å; Y510-P538 HydrophobicContact CD2-CG 4.49Å; Y510-P538 HydrophobicContact CG-CG 4.12Å; Y510-L543 HydrophobicContact CD1-CD1 4.28Å; Y510-L543 HydrophobicContact CD1-CD2 3.73Å; Y510-L543 HydrophobicContact CE1-CD1 4.17Å; Y510-L543 HydrophobicContact CE1-CD2 4.4Å; Y510-L543 HydrophobicContact CG-CD2 4.42Å |
| 511 | I | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.8 | -35.2 | -178.3 | -64.7 | 166.3 | 0 | 0 | 0 | 111.5 | L288 I507 Q508 M513 L514 Q515 L543 Y546 T547 W563 | L288-I511 HydrophobicContact CD2-CG2 3.93Å; I507-I511 HydrophobicContact CG2-CD1 3.82Å; I507-I511 WeakPolarHBondContact O-CG1 3.31Å; I507-I511 PolarHBondContact O-N 3.06Å; I507-I511 VanDerWaalsContact O-N 3.08Å; Q508-I511 PolarHBondContact O-N 3.38Å; I511-M513 VanDerWaalsContact C-N 3.29Å; I511-M513 PolarHBondContact O-N 3.34Å; I511-L514 PolarHBondContact O-N 3.28Å; I511-Q515 PolarHBondContact O-N 3.16Å; I511-L543 HydrophobicContact CD1-CD2 4.08Å; I511-L543 HydrophobicContact CG1-CD2 3.98Å; I511-Y546 HydrophobicContact CB-CD1 4.43Å; I511-Y546 HydrophobicContact CD1-CD1 3.65Å; I511-Y546 HydrophobicContact CD1-CG 4.19Å; I511-Y546 HydrophobicContact CG2-CD1 4.36Å; I511-Y546 HydrophobicContact CG2-CE1 4.41Å; I511-T547 HydrophobicContact CD1-CG2 3.91Å; I511-W563 HydrophobicContact CG2-CH2 4.22Å; I511-W563 HydrophobicContact CG2-CZ3 4.02Å |
| 512 | R | 94.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 15.6 Ų | 15.6 | 18% | 0.177 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 168 | -69.1 | 168.1 | 72.3 | -151.1 | 3.2 | 110.7 | Q508 D509 Q515 W516 F530 W563 T564 F566 | Q508-R512 WeakPolarHBondContact O-CB 2.99Å; Q508-R512 WeakPolarHBondContact O-CD 3.37Å; Q508-R512 WeakPolarHBondContact O-CG 3.4Å; Q508-R512 PolarHBondContact O-N 2.97Å; D509-R512 IonicContact OD1-CZ 2.75Å; D509-R512 IonicContact OD1-NH1 3.62Å; D509-R512 PolarHBondContact OD1-NH1 3.15Å; R512-Q515 PolarHBondContact O-N 3.39Å; R512-W516 PolarHBondContact O-N 3.19Å; R512-F530 HydrophobicContact CB-CE1 4.26Å; R512-F530 HydrophobicContact CB-CZ 3.87Å; R512-W563 HydrophobicContact CG-CZ3 4.25Å; R512-T564 VanDerWaalsContact CZ-O 3.3Å; R512-T564 PolarHBondContact NE-O 3.46Å; R512-T564 PolarHBondContact NH2-O 2.79Å; R512-F566 WeakPolarHBondContact O-CZ 3.25Å |
| 513 | M | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.3 | -31.7 | -179.7 | -164.5 | 61.1 | -167.2 | 0 | 0 | 113.3 | A55 F248 I249 D509 Y510 I511 Q515 W516 I517 F530 | A55-M513 HydrophobicContact CB-CE 3.4Å; A55-M513 VanDerWaalsContact CB-CE 3.4Å; F248-M513 HydrophobicContact CB-CE 3.61Å; F248-M513 HydrophobicContact CG-CE 4.42Å; I249-M513 HydrophobicContact CG2-CB 3.93Å; I249-M513 HydrophobicContact CG2-CG 3.26Å; D509-M513 WeakPolarHBondContact O-CB 3.4Å; D509-M513 PolarHBondContact O-N 3.19Å; Y510-M513 WeakPolarHBondContact O-CA 3.14Å; Y510-M513 WeakPolarHBondContact O-CB 3.38Å; Y510-M513 PolarHBondContact O-N 3Å; Y510-M513 VanDerWaalsContact O-N 3.09Å; I511-M513 VanDerWaalsContact C-N 3.29Å; I511-M513 PolarHBondContact O-N 3.34Å; M513-Q515 VanDerWaalsContact C-N 3.34Å; M513-Q515 PolarHBondContact O-N 3.42Å; M513-W516 HydrophobicContact CE-CB 4.47Å; M513-W516 HydrophobicContact CE-CD2 3.73Å; M513-W516 HydrophobicContact CE-CE3 3.31Å; M513-W516 HydrophobicContact CE-CG 4.25Å; M513-W516 HydrophobicContact CE-CZ3 3.81Å; M513-W516 WeakPolarHBondContact O-CB 3.42Å; M513-W516 PolarHBondContact O-N 2.7Å; M513-W516 VanDerWaalsContact O-N 3.16Å; M513-W516 HydrophobicContact SD-CB 3.8Å; M513-W516 HydrophobicContact SD-CD2 4.06Å; M513-W516 HydrophobicContact SD-CE3 4.16Å; M513-W516 HydrophobicContact SD-CG 3.93Å; M513-I517 HydrophobicContact CE-CG1 4.24Å; M513-I517 HydrophobicContact CG-CD1 4.32Å; M513-I517 WeakPolarHBondContact O-CD1 3.17Å; M513-I517 VanDerWaalsContact O-CG1 3.26Å; M513-I517 WeakPolarHBondContact O-CG1 3.43Å; M513-I517 PolarHBondContact O-N 3.19Å; M513-F530 HydrophobicContact CB-CE1 4.02Å; M513-F530 HydrophobicContact CG-CE1 4.38Å; M513-F530 HydrophobicContact SD-CD1 3.65Å; M513-F530 HydrophobicContact SD-CE1 3.52Å; M513-F530 VanDerWaalsContact SD-CE1 3.52Å |
| 514 | L | 95 | Very high | 91.9 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 168.6 | -68.5 | 177.6 | 0 | 0 | 0 | 111.9 | F239 L243 I249 F291 Y510 I511 W516 I517 L518 | F239-L514 HydrophobicContact CE2-CB 4.4Å; L243-L514 HydrophobicContact CD2-CD1 3.9Å; L243-L514 HydrophobicContact CD2-CD2 3.86Å; I249-L514 HydrophobicContact CD1-CD2 3.76Å; F291-L514 HydrophobicContact CE1-CD1 4.14Å; F291-L514 HydrophobicContact CZ-CD1 3.98Å; Y510-L514 HydrophobicContact CD1-CD1 4.24Å; Y510-L514 HydrophobicContact CD1-CG 4.37Å; Y510-L514 HydrophobicContact CE1-CD1 4.07Å; Y510-L514 HydrophobicContact CE1-CD2 4.31Å; Y510-L514 HydrophobicContact CE1-CG 4.21Å; Y510-L514 PolarHBondContact O-N 2.74Å; I511-L514 PolarHBondContact O-N 3.28Å; L514-W516 VanDerWaalsContact C-N 3.34Å; L514-I517 PolarHBondContact O-N 3.49Å; L514-L518 PolarHBondContact O-N 2.88Å |
| 515 | Q | 94 | Very high | 92 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.2 | -30.4 | 174.9 | -178.2 | 59.8 | 81.2 | 0 | 0 | 112.8 | G284 I511 R512 M513 N519 L561 W563 T564 F566 | G284-Q515 PolarHBondContact O-NE2 3.37Å; I511-Q515 PolarHBondContact O-N 3.16Å; R512-Q515 PolarHBondContact O-N 3.39Å; M513-Q515 VanDerWaalsContact C-N 3.34Å; M513-Q515 PolarHBondContact O-N 3.42Å; Q515-N519 PolarHBondContact NE2-OD1 2.91Å; Q515-N519 WeakPolarHBondContact O-CB 3.4Å; Q515-N519 PolarHBondContact O-N 2.94Å; Q515-N519 PolarHBondContact O-ND2 3.06Å; Q515-N519 PolarHBondContact O-OD1 3.43Å; Q515-L561 HydrophobicContact CG-CD2 4.08Å; Q515-W563 HydrophobicContact CB-CH2 3.63Å; Q515-W563 HydrophobicContact CB-CZ2 3.94Å; Q515-W563 HydrophobicContact CG-CH2 4.12Å; Q515-W563 HydrophobicContact CG-CZ2 3.91Å; Q515-T564 HydrophobicContact CB-CG2 4.35Å; Q515-T564 HydrophobicContact CG-CG2 3.84Å; Q515-F566 HydrophobicContact CG-CE2 4.16Å |
| 516 | W | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 171.5 | -173.6 | 100.2 | 0 | 0 | 0 | 111.4 | P53 A55 F248 R512 M513 L514 N519 Y520 V525 D527 F530 F566 | P53-W516 HydrophobicContact CB-CH2 3.88Å; P53-W516 HydrophobicContact CB-CZ2 3.62Å; P53-W516 HydrophobicContact CG-CH2 4.09Å; P53-W516 HydrophobicContact CG-CZ2 4.12Å; A55-W516 HydrophobicContact CB-CH2 3.88Å; A55-W516 HydrophobicContact CB-CZ2 4.11Å; A55-W516 HydrophobicContact CB-CZ3 4.14Å; F248-W516 HydrophobicContact CD1-CH2 4.07Å; F248-W516 AromaticContact CD1-CZ3 3.69Å; F248-W516 HydrophobicContact CD1-CZ3 3.69Å; F248-W516 HydrophobicContact CD2-CZ3 4.41Å; F248-W516 HydrophobicContact CE1-CH2 4.07Å; F248-W516 AromaticContact CE1-CZ3 3.9Å; F248-W516 HydrophobicContact CE1-CZ3 3.9Å; F248-W516 AromaticContact CG-CZ3 3.97Å; F248-W516 HydrophobicContact CG-CZ3 3.97Å; F248-W516 HydrophobicContact CZ-CZ3 4.37Å; R512-W516 PolarHBondContact O-N 3.19Å; M513-W516 HydrophobicContact CE-CB 4.47Å; M513-W516 HydrophobicContact CE-CD2 3.73Å; M513-W516 HydrophobicContact CE-CE3 3.31Å; M513-W516 HydrophobicContact CE-CG 4.25Å; M513-W516 HydrophobicContact CE-CZ3 3.81Å; M513-W516 WeakPolarHBondContact O-CB 3.42Å; M513-W516 PolarHBondContact O-N 2.7Å; M513-W516 VanDerWaalsContact O-N 3.16Å; M513-W516 HydrophobicContact SD-CB 3.8Å; M513-W516 HydrophobicContact SD-CD2 4.06Å; M513-W516 HydrophobicContact SD-CE3 4.16Å; M513-W516 HydrophobicContact SD-CG 3.93Å; L514-W516 VanDerWaalsContact C-N 3.34Å; W516-N519 WeakPolarHBondContact O-CB 3.37Å; W516-N519 PolarHBondContact O-N 2.81Å; W516-Y520 AromaticContact CH2-CD2 3.71Å; W516-Y520 HydrophobicContact CH2-CD2 3.71Å; W516-Y520 HydrophobicContact CH2-CE2 4.3Å; W516-Y520 HydrophobicContact CH2-CG 4.29Å; W516-Y520 HydrophobicContact CZ2-CD2 4.48Å; W516-Y520 AromaticContact CZ3-CD2 3.98Å; W516-Y520 HydrophobicContact CZ3-CD2 3.98Å; W516-Y520 HydrophobicContact CZ3-CG 4.08Å; W516-Y520 PolarHBondContact O-N 3.41Å; W516-V525 HydrophobicContact CZ2-CG1 4Å; W516-D527 PolarHBondContact NE1-O 2.64Å; W516-F530 HydrophobicContact CB-CD1 4.23Å; W516-F530 HydrophobicContact CB-CE1 4.45Å; W516-F530 AromaticContact CD1-CD1 3.79Å; W516-F530 HydrophobicContact CG-CD1 4.11Å; W516-F566 HydrophobicContact CB-CE1 4.09Å; W516-F566 HydrophobicContact CB-CZ 3.74Å; W516-F566 HydrophobicContact CG-CZ 4.5Å |
| 517 | I | 94.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.7 | -68.1 | 159.8 | 0 | 0 | 0 | 110.3 | F242 N246 F248 I249 M513 L514 N519 Y520 Y521 | F242-I517 HydrophobicContact CB-CG2 4.43Å; F242-I517 HydrophobicContact CD2-CG2 3.71Å; F242-I517 HydrophobicContact CE2-CG2 4.08Å; F242-I517 HydrophobicContact CG-CG2 4.07Å; N246-I517 WeakPolarHBondContact OD1-CD1 3.08Å; F248-I517 HydrophobicContact CB-CD1 4.28Å; F248-I517 HydrophobicContact CB-CG1 4.2Å; F248-I517 HydrophobicContact CD2-CG1 4.11Å; F248-I517 HydrophobicContact CG-CG1 4.44Å; I249-I517 HydrophobicContact CD1-CD1 3.64Å; I249-I517 HydrophobicContact CG1-CD1 3.86Å; I249-I517 HydrophobicContact CG2-CD1 4.32Å; M513-I517 HydrophobicContact CE-CG1 4.24Å; M513-I517 HydrophobicContact CG-CD1 4.32Å; M513-I517 WeakPolarHBondContact O-CD1 3.17Å; M513-I517 VanDerWaalsContact O-CG1 3.26Å; M513-I517 WeakPolarHBondContact O-CG1 3.43Å; M513-I517 PolarHBondContact O-N 3.19Å; L514-I517 PolarHBondContact O-N 3.49Å; I517-N519 VanDerWaalsContact C-N 3.32Å; I517-N519 PolarHBondContact O-N 3.19Å; I517-Y520 WeakPolarHBondContact O-CB 3.23Å; I517-Y520 PolarHBondContact O-N 3.12Å; I517-Y520 VanDerWaalsContact O-N 3.16Å; I517-Y521 HydrophobicContact CG2-CD2 3.89Å; I517-Y521 HydrophobicContact CG2-CE2 3.98Å; I517-Y521 WeakPolarHBondContact O-CD2 3.28Å; I517-Y521 PolarHBondContact O-N 3.35Å; I517-Y521 VanDerWaalsContact O-N 3.09Å |
| 518 | L | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 172.2 | -72 | 175 | 0 | 0 | 0 | 111.4 | F239 V281 G284 L286 L514 Y520 Y521 F522 | F239-L518 HydrophobicContact CB-CD2 4.07Å; F239-L518 HydrophobicContact CD2-CD1 4.1Å; F239-L518 HydrophobicContact CD2-CD2 3.74Å; F239-L518 HydrophobicContact CD2-CG 4.05Å; F239-L518 HydrophobicContact CE2-CD1 4.28Å; F239-L518 HydrophobicContact CG-CD2 4.22Å; V281-L518 HydrophobicContact CG1-CD1 4.49Å; V281-L518 HydrophobicContact CG1-CD2 4.27Å; V281-L518 HydrophobicContact CG2-CD1 4.16Å; V281-L518 HydrophobicContact CG2-CD2 4.03Å; G284-L518 VanDerWaalsContact O-CB 3.29Å; G284-L518 WeakPolarHBondContact O-CB 3.44Å; L286-L518 HydrophobicContact CB-CD1 3.77Å; L514-L518 PolarHBondContact O-N 2.88Å; L518-Y520 VanDerWaalsContact C-N 3.31Å; L518-Y520 PolarHBondContact O-N 3.17Å; L518-Y521 PolarHBondContact O-N 2.93Å; L518-F522 HydrophobicContact CB-CD2 4.42Å; L518-F522 HydrophobicContact CD2-CD2 3.85Å; L518-F522 HydrophobicContact CD2-CE2 3.57Å; L518-F522 WeakPolarHBondContact O-CB 3.3Å; L518-F522 WeakPolarHBondContact O-CD2 3.33Å; L518-F522 PolarHBondContact O-N 2.87Å |
| 519 | N | 90.1 | Very high | 92 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 176.2 | -68.5 | -13 | 0 | 0 | 0 | 111.7 | Q515 W516 I517 Y521 L523 N524 A526 | Q515-N519 PolarHBondContact NE2-OD1 2.91Å; Q515-N519 WeakPolarHBondContact O-CB 3.4Å; Q515-N519 PolarHBondContact O-N 2.94Å; Q515-N519 PolarHBondContact O-ND2 3.06Å; Q515-N519 PolarHBondContact O-OD1 3.43Å; W516-N519 WeakPolarHBondContact O-CB 3.37Å; W516-N519 PolarHBondContact O-N 2.81Å; I517-N519 VanDerWaalsContact C-N 3.32Å; I517-N519 PolarHBondContact O-N 3.19Å; N519-Y521 PolarHBondContact O-N 3.46Å; N519-L523 CarbonylContact O-C 3.5Å; N519-L523 WeakPolarHBondContact O-CA 3.16Å; N519-L523 PolarHBondContact O-N 3.47Å; N519-N524 CarbonylContact C-O 3.29Å; N519-N524 CarbonylContact O-C 3.52Å; N519-N524 PolarHBondContact O-N 2.94Å; N519-A526 HydrophobicContact CB-CB 3.85Å; N519-A526 VanDerWaalsContact ND2-CB 3.29Å; N519-A526 WeakPolarHBondContact ND2-CB 3.5Å |
| 520 | Y | 91.1 | Very high | 92 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 177.4 | -173.5 | -95.7 | 0 | 0 | 0 | 113.1 | P53 E136 H139 F248 W516 I517 L518 V525 | P53-Y520 HydrophobicContact CG-CE2 4.14Å; E136-Y520 PolarHBondContact OE1-OH 2.94Å; E136-Y520 VanDerWaalsContact OE1-OH 3.08Å; H139-Y520 HydrophobicContact CB-CE1 4.49Å; H139-Y520 HydrophobicContact CB-CE2 4.27Å; H139-Y520 AromaticContact CD2-CD2 3.64Å; H139-Y520 AromaticContact CD2-CE1 3.91Å; H139-Y520 AromaticContact CD2-CE2 3.44Å; H139-Y520 VanDerWaalsContact CD2-CE2 3.44Å; H139-Y520 WeakPolarHBondContact CD2-CE2 3.38Å; H139-Y520 AromaticContact CD2-CG 3.93Å; H139-Y520 AromaticContact CD2-CZ 3.6Å; H139-Y520 PolarHBondContact CD2-O 2.94Å; H139-Y520 VanDerWaalsContact CD2-O 3.26Å; H139-Y520 AromaticContact CG-CE2 3.94Å; H139-Y520 AromaticContact CG-CZ 3.97Å; H139-Y520 AromaticContact NE2-CD2 3.97Å; H139-Y520 PolarHBondContact NE2-O 3.32Å; F248-Y520 HydrophobicContact CE1-CE1 4.42Å; F248-Y520 HydrophobicContact CE1-CE2 4.49Å; F248-Y520 HydrophobicContact CE2-CD1 4.08Å; F248-Y520 HydrophobicContact CE2-CE1 4.1Å; F248-Y520 AromaticContact CZ-CD1 3.81Å; F248-Y520 HydrophobicContact CZ-CD1 3.81Å; F248-Y520 AromaticContact CZ-CE1 3.49Å; F248-Y520 HydrophobicContact CZ-CE1 3.49Å; F248-Y520 VanDerWaalsContact CZ-CE1 3.49Å; F248-Y520 HydrophobicContact CZ-CE2 4.29Å; F248-Y520 HydrophobicContact CZ-CG 4.33Å; F248-Y520 AromaticContact CZ-CZ 3.76Å; W516-Y520 AromaticContact CH2-CD2 3.71Å; W516-Y520 HydrophobicContact CH2-CD2 3.71Å; W516-Y520 HydrophobicContact CH2-CE2 4.3Å; W516-Y520 HydrophobicContact CH2-CG 4.29Å; W516-Y520 HydrophobicContact CZ2-CD2 4.48Å; W516-Y520 AromaticContact CZ3-CD2 3.98Å; W516-Y520 HydrophobicContact CZ3-CD2 3.98Å; W516-Y520 HydrophobicContact CZ3-CG 4.08Å; W516-Y520 PolarHBondContact O-N 3.41Å; I517-Y520 WeakPolarHBondContact O-CB 3.23Å; I517-Y520 PolarHBondContact O-N 3.12Å; I517-Y520 VanDerWaalsContact O-N 3.16Å; L518-Y520 VanDerWaalsContact C-N 3.31Å; L518-Y520 PolarHBondContact O-N 3.17Å; Y520-V525 HydrophobicContact CD2-CG2 3.9Å; Y520-V525 HydrophobicContact CE2-CG2 4.07Å |
| 521 | Y | 89.7 | Confident | 92 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -82.7 | -36.4 | -177.8 | -76.7 | -81.6 | 0 | 0 | 0 | 114.1 | R142 D168 L172 T175 F242 F248 I517 L518 N519 | R142-Y521 PolarHBondContact NE-O 3.06Å; D168-Y521 PolarHBondContact OD2-OH 3.12Å; L172-Y521 HydrophobicContact CB-CD1 4.2Å; L172-Y521 HydrophobicContact CB-CE1 4.22Å; L172-Y521 HydrophobicContact CD1-CD1 3.59Å; L172-Y521 HydrophobicContact CD1-CE1 4.06Å; T175-Y521 PolarHBondContact OG1-O 3.34Å; F242-Y521 HydrophobicContact CD1-CE2 4.45Å; F242-Y521 HydrophobicContact CD2-CD2 4.43Å; F242-Y521 HydrophobicContact CE1-CD2 4.01Å; F242-Y521 HydrophobicContact CE1-CE1 4.29Å; F242-Y521 AromaticContact CE1-CE2 3.67Å; F242-Y521 HydrophobicContact CE1-CE2 3.67Å; F242-Y521 HydrophobicContact CE1-CG 4.45Å; F242-Y521 AromaticContact CE1-CZ 3.84Å; F242-Y521 AromaticContact CE2-CD2 3.48Å; F242-Y521 HydrophobicContact CE2-CD2 3.48Å; F242-Y521 VanDerWaalsContact CE2-CD2 3.48Å; F242-Y521 AromaticContact CE2-CE2 3.97Å; F242-Y521 HydrophobicContact CE2-CE2 3.97Å; F242-Y521 AromaticContact CE2-CG 3.86Å; F242-Y521 HydrophobicContact CE2-CG 3.86Å; F242-Y521 AromaticContact CZ-CD1 3.81Å; F242-Y521 HydrophobicContact CZ-CD1 3.81Å; F242-Y521 AromaticContact CZ-CD2 3.22Å; F242-Y521 HydrophobicContact CZ-CD2 3.22Å; F242-Y521 AromaticContact CZ-CE1 3.97Å; F242-Y521 HydrophobicContact CZ-CE1 3.97Å; F242-Y521 AromaticContact CZ-CE2 3.39Å; F242-Y521 HydrophobicContact CZ-CE2 3.39Å; F242-Y521 AromaticContact CZ-CG 3.45Å; F242-Y521 HydrophobicContact CZ-CG 3.45Å; F242-Y521 VanDerWaalsContact CZ-CG 3.45Å; F242-Y521 AromaticContact CZ-CZ 3.78Å; F248-Y521 HydrophobicContact CE2-CE2 4Å; I517-Y521 HydrophobicContact CG2-CD2 3.89Å; I517-Y521 HydrophobicContact CG2-CE2 3.98Å; I517-Y521 WeakPolarHBondContact O-CD2 3.28Å; I517-Y521 PolarHBondContact O-N 3.35Å; I517-Y521 VanDerWaalsContact O-N 3.09Å; L518-Y521 PolarHBondContact O-N 2.93Å; N519-Y521 PolarHBondContact O-N 3.46Å |
| 522 | F | 86.2 | Confident | 92 | Very high | 11 Ų | 11 | 14.1 Ų | 14.1 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -101.4 | -22.7 | -171.7 | -68.2 | -91.1 | 0 | 0 | 0 | 114.5 | R142 T175 D235 V238 L518 | R142-F522 PolarHBondContact NH2-O 2.66Å; T175-F522 HydrophobicContact CG2-CD1 4Å; T175-F522 HydrophobicContact CG2-CD2 4.33Å; T175-F522 HydrophobicContact CG2-CE1 3.44Å; T175-F522 VanDerWaalsContact CG2-CE1 3.44Å; T175-F522 HydrophobicContact CG2-CE2 3.83Å; T175-F522 HydrophobicContact CG2-CG 4.42Å; T175-F522 HydrophobicContact CG2-CZ 3.36Å; D235-F522 HydrophobicContact CB-CE1 4.01Å; D235-F522 HydrophobicContact CB-CZ 4.25Å; D235-F522 WeakPolarHBondContact OD1-CE1 3.47Å; V238-F522 HydrophobicContact CB-CZ 4.36Å; V238-F522 HydrophobicContact CG1-CE2 4.42Å; V238-F522 HydrophobicContact CG1-CZ 4.32Å; L518-F522 HydrophobicContact CB-CD2 4.42Å; L518-F522 HydrophobicContact CD2-CD2 3.85Å; L518-F522 HydrophobicContact CD2-CE2 3.57Å; L518-F522 WeakPolarHBondContact O-CB 3.3Å; L518-F522 WeakPolarHBondContact O-CD2 3.33Å; L518-F522 PolarHBondContact O-N 2.87Å |
| 523 | L | 84.5 | Confident | 92 | Very high | 16 Ų | 16 | 13.9 Ų | 13.9 | 8% | 0.084 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -78.9 | -171.7 | -63.4 | 174.1 | 0 | 0 | 0 | 113.5 | R142 Y285 N519 L697 | R142-L523 PolarHBondContact NH1-O 2.85Å; R142-L523 PolarHBondContact NH2-O 3.32Å; Y285-L523 HydrophobicContact CD1-CD1 4.23Å; Y285-L523 HydrophobicContact CE1-CD1 3.44Å; Y285-L523 VanDerWaalsContact CE1-CD1 3.44Å; Y285-L523 HydrophobicContact CE2-CD1 4.47Å; N519-L523 CarbonylContact O-C 3.5Å; N519-L523 WeakPolarHBondContact O-CA 3.16Å; N519-L523 PolarHBondContact O-N 3.47Å; L523-L697 HydrophobicContact CD2-CD1 3.82Å |
| 524 | N | 86.1 | Confident | 91.9 | Very high | 56 Ų | 56 | 16.6 Ų | 16.6 | 30% | 0.299 | 9% | 0.088 | S | C | . | . | trans | -174.5 | 173.1 | 171.8 | 53 | 77.5 | 0 | 0 | 0 | 110 | N519 A526 R687 | N519-N524 CarbonylContact C-O 3.29Å; N519-N524 CarbonylContact O-C 3.52Å; N519-N524 PolarHBondContact O-N 2.94Å; N524-A526 PolarHBondContact O-N 3.1Å; N524-R687 HydrophobicContact CB-CG 4.07Å | ||
| 525 | V | 90.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | trans | -60.4 | 99.3 | 172.8 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | P53 W516 Y520 D527 W528 | P53-V525 HydrophobicContact CB-CG1 4.1Å; P53-V525 HydrophobicContact CG-CG1 3.93Å; P53-V525 HydrophobicContact CG-CG2 3.92Å; W516-V525 HydrophobicContact CZ2-CG1 4Å; Y520-V525 HydrophobicContact CD2-CG2 3.9Å; Y520-V525 HydrophobicContact CE2-CG2 4.07Å; V525-D527 VanDerWaalsContact C-N 3.34Å; V525-D527 WeakPolarHBondContact CG1-O 3.4Å; V525-D527 PolarHBondContact O-N 3.27Å; V525-W528 HydrophobicContact CB-CD2 4.44Å; V525-W528 HydrophobicContact CB-CZ2 3.71Å; V525-W528 HydrophobicContact CG1-CD2 3.81Å; V525-W528 HydrophobicContact CG1-CE3 4.44Å; V525-W528 HydrophobicContact CG1-CG 3.97Å; V525-W528 HydrophobicContact CG1-CZ2 3.97Å; V525-W528 HydrophobicContact CG2-CH2 4.03Å; V525-W528 HydrophobicContact CG2-CZ2 3.6Å | ||
| 526 | A | 88.4 | Confident | 91.6 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 12% | 0.116 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -73.6 | -23.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N519 N524 F566 | N519-A526 HydrophobicContact CB-CB 3.85Å; N519-A526 VanDerWaalsContact ND2-CB 3.29Å; N519-A526 WeakPolarHBondContact ND2-CB 3.5Å; N524-A526 PolarHBondContact O-N 3.1Å; A526-F566 HydrophobicContact CB-CD2 4.03Å; A526-F566 HydrophobicContact CB-CE2 4.45Å |
| 527 | D | 92.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | trans | -149.9 | 124.8 | 175.3 | -165.7 | -42.3 | 0 | 0 | 0 | 109.1 | W516 V525 D529 F530 F566 Q567 S570 | W516-D527 PolarHBondContact NE1-O 2.64Å; V525-D527 VanDerWaalsContact C-N 3.34Å; V525-D527 WeakPolarHBondContact CG1-O 3.4Å; V525-D527 PolarHBondContact O-N 3.27Å; D527-D529 PolarHBondContact OD1-N 3.42Å; D527-F530 HydrophobicContact CB-CB 3.75Å; D527-F530 PolarHBondContact OD1-N 3.09Å; D527-F566 HydrophobicContact CB-CB 4.16Å; D527-F566 HydrophobicContact CB-CD1 4.16Å; D527-F566 HydrophobicContact CB-CG 4.34Å; D527-Q567 PolarHBondContact OD2-N 3.18Å; D527-S570 WeakPolarHBondContact CA-OG 3.47Å | ||
| 528 | W | 94.3 | Very high | 91.5 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 5% | 0.045 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -84.4 | -21.3 | -179.9 | -76.2 | 80.8 | 0 | 0 | 0 | 113.5 | P53 R54 P134 V525 S570 P572 | P53-W528 HydrophobicContact CB-CE3 4.17Å; P53-W528 HydrophobicContact CB-CZ3 4.39Å; P53-W528 HydrophobicContact CG-CE3 4.1Å; P53-W528 HydrophobicContact CG-CH2 4.27Å; P53-W528 HydrophobicContact CG-CZ3 3.84Å; R54-W528 WeakPolarHBondContact CB-O 3.36Å; R54-W528 PolarHBondContact N-O 3.47Å; P134-W528 HydrophobicContact CB-CH2 4.49Å; V525-W528 HydrophobicContact CB-CD2 4.44Å; V525-W528 HydrophobicContact CB-CZ2 3.71Å; V525-W528 HydrophobicContact CG1-CD2 3.81Å; V525-W528 HydrophobicContact CG1-CE3 4.44Å; V525-W528 HydrophobicContact CG1-CG 3.97Å; V525-W528 HydrophobicContact CG1-CZ2 3.97Å; V525-W528 HydrophobicContact CG2-CH2 4.03Å; V525-W528 HydrophobicContact CG2-CZ2 3.6Å; W528-S570 PolarHBondContact N-OG 3.2Å; W528-P572 HydrophobicContact CD2-CB 4.13Å; W528-P572 HydrophobicContact CD2-CG 4.47Å; W528-P572 HydrophobicContact CE3-CB 3.62Å; W528-P572 HydrophobicContact CE3-CG 4.38Å; W528-P572 HydrophobicContact CH2-CB 4.48Å; W528-P572 HydrophobicContact CZ3-CB 3.81Å |
| 529 | D | 94.5 | Very high | 91.4 | Very high | 43 Ų | 43 | 19.1 Ų | 19.1 | 23% | 0.23 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -101.1 | -20 | -173.6 | -64.6 | -58.5 | 0 | 0 | 0 | 112.2 | R54 D527 S570 Q636 | R54-D529 VanDerWaalsContact CG-O 3.29Å; R54-D529 WeakPolarHBondContact CG-O 3.35Å; D527-D529 PolarHBondContact OD1-N 3.42Å; D529-S570 VanDerWaalsContact OD2-CB 3.26Å; D529-S570 WeakPolarHBondContact OD2-CB 3.45Å; D529-Q636 PolarHBondContact OD1-NE2 3.23Å |
| 530 | F | 94.7 | Very high | 91.4 | Very high | 22 Ų | 22 | 19 Ų | 19 | 10% | 0.096 | 10% | 0.098 | C | C | . | . | trans | -67 | 142.2 | 176.7 | -169.6 | -114.5 | 0 | 0 | 0 | 113.4 | A55 R512 M513 W516 D527 F566 | A55-F530 PolarHBondContact N-O 3.42Å; R512-F530 HydrophobicContact CB-CE1 4.26Å; R512-F530 HydrophobicContact CB-CZ 3.87Å; M513-F530 HydrophobicContact CB-CE1 4.02Å; M513-F530 HydrophobicContact CG-CE1 4.38Å; M513-F530 HydrophobicContact SD-CD1 3.65Å; M513-F530 HydrophobicContact SD-CE1 3.52Å; M513-F530 VanDerWaalsContact SD-CE1 3.52Å; W516-F530 HydrophobicContact CB-CD1 4.23Å; W516-F530 HydrophobicContact CB-CE1 4.45Å; W516-F530 AromaticContact CD1-CD1 3.79Å; W516-F530 HydrophobicContact CG-CD1 4.11Å; D527-F530 HydrophobicContact CB-CB 3.75Å; D527-F530 PolarHBondContact OD1-N 3.09Å; F530-F566 HydrophobicContact CD1-CD1 4.41Å; F530-F566 AromaticContact CD1-CE1 3.85Å; F530-F566 HydrophobicContact CD1-CE1 3.85Å; F530-F566 AromaticContact CE1-CE1 3.98Å; F530-F566 HydrophobicContact CE1-CE1 3.98Å; F530-F566 HydrophobicContact CG-CE1 4.36Å | ||
| 531 | F | 94.7 | Very high | 91.4 | Very high | 46 Ų | 46 | 21 Ų | 21 | 20% | 0.202 | 11% | 0.107 | C | C | . | . | trans | -159.1 | 159.5 | 172.6 | 68.9 | -71.7 | 0 | 0 | 0 | 110.6 | R54 A55 A533 F633 | R54-F531 HydrophobicContact CG-CB 4.03Å; R54-F531 HydrophobicContact CG-CD1 3.51Å; R54-F531 HydrophobicContact CG-CE1 4.26Å; R54-F531 HydrophobicContact CG-CG 3.94Å; A55-F531 HydrophobicContact CB-CB 4.36Å; F531-A533 HydrophobicContact CD2-CB 4.45Å; F531-A533 HydrophobicContact CE2-CB 3.86Å; F531-A533 HydrophobicContact CZ-CB 4.22Å; F531-F633 HydrophobicContact CE2-CB 4.29Å; F531-F633 AromaticContact CE2-CD1 3.93Å; F531-F633 HydrophobicContact CE2-CD1 3.93Å; F531-F633 HydrophobicContact CE2-CG 4.23Å | ||
| 532 | Y | 94.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | trans | -80.1 | 118.9 | 171.4 | -172.6 | -108.5 | 0 | 0 | 0 | 110.5 | I249 P250 L506 D509 Y510 Y534 Y536 | I249-Y532 HydrophobicContact CG2-CD1 4.48Å; I249-Y532 HydrophobicContact CG2-CG 4.15Å; P250-Y532 VanDerWaalsContact CD-CD1 3.5Å; P250-Y532 HydrophobicContact CG-CD1 4.1Å; P250-Y532 HydrophobicContact CG-CE1 3.95Å; L506-Y532 WeakPolarHBondContact CD2-OH 3.49Å; L506-Y532 WeakPolarHBondContact CG-OH 3.34Å; D509-Y532 HydrophobicContact CB-CD2 4.15Å; D509-Y532 HydrophobicContact CB-CE2 4.35Å; Y510-Y532 HydrophobicContact CD2-CD2 4.46Å; Y510-Y532 HydrophobicContact CD2-CE1 4.4Å; Y510-Y532 AromaticContact CD2-CE2 3.86Å; Y510-Y532 HydrophobicContact CD2-CE2 3.86Å; Y510-Y532 AromaticContact CD2-CZ 3.8Å; Y510-Y532 HydrophobicContact CG-CE2 4.32Å; Y532-Y534 VanDerWaalsContact C-N 3.35Å; Y532-Y534 HydrophobicContact CD1-CD2 4.38Å; Y532-Y534 VanDerWaalsContact CD1-O 3.25Å; Y532-Y534 WeakPolarHBondContact CD1-O 3.07Å; Y532-Y534 HydrophobicContact CD2-CD2 4.03Å; Y532-Y534 HydrophobicContact CE1-CD2 4.03Å; Y532-Y534 HydrophobicContact CE1-CG 4.34Å; Y532-Y534 VanDerWaalsContact CE1-O 3.31Å; Y532-Y534 WeakPolarHBondContact CE1-O 3.27Å; Y532-Y534 AromaticContact CE2-CD2 3.61Å; Y532-Y534 HydrophobicContact CE2-CD2 3.61Å; Y532-Y534 HydrophobicContact CE2-CE2 4.21Å; Y532-Y534 HydrophobicContact CG-CD2 4.4Å; Y532-Y534 AromaticContact CZ-CD2 3.62Å; Y532-Y534 PolarHBondContact O-N 3.26Å; Y532-Y536 WeakPolarHBondContact CE1-O 3.2Å; Y532-Y536 PolarHBondContact OH-O 3.22Å | ||
| 533 | A | 93.2 | Very high | 91.7 | Very high | 42 Ų | 42 | 20.5 Ų | 20.5 | 35% | 0.347 | 11% | 0.105 | S | C | . | . | trans | -93.5 | 26.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F531 F633 | F531-A533 HydrophobicContact CD2-CB 4.45Å; F531-A533 HydrophobicContact CE2-CB 3.86Å; F531-A533 HydrophobicContact CZ-CB 4.22Å; A533-F633 VanDerWaalsContact C-CE2 3.44Å; A533-F633 WeakPolarHBondContact O-CE2 3.36Å | ||
| 534 | Y | 93.5 | Very high | 92 | Very high | 56 Ų | 56 | 21 Ų | 21 | 22% | 0.22 | 11% | 0.108 | C | C | . | . | trans | -135.6 | 142.4 | -178.4 | -44.4 | -95.6 | 0 | 0 | 0 | 110 | L506 D509 Y532 Y536 | L506-Y534 HydrophobicContact CB-CD1 4.46Å; L506-Y534 HydrophobicContact CB-CE1 4.09Å; L506-Y534 HydrophobicContact CB-CE2 4.23Å; L506-Y534 HydrophobicContact CD1-CD1 3.72Å; L506-Y534 HydrophobicContact CD1-CE1 4.12Å; L506-Y534 HydrophobicContact CD1-CG 3.95Å; L506-Y534 HydrophobicContact CG-CD1 4.14Å; L506-Y534 HydrophobicContact CG-CD2 4.14Å; L506-Y534 HydrophobicContact CG-CE1 4.28Å; L506-Y534 HydrophobicContact CG-CE2 4.3Å; L506-Y534 HydrophobicContact CG-CG 4.07Å; D509-Y534 HydrophobicContact CB-CE2 4.17Å; D509-Y534 PolarHBondContact OD2-OH 3.43Å; Y532-Y534 VanDerWaalsContact C-N 3.35Å; Y532-Y534 HydrophobicContact CD1-CD2 4.38Å; Y532-Y534 VanDerWaalsContact CD1-O 3.25Å; Y532-Y534 WeakPolarHBondContact CD1-O 3.07Å; Y532-Y534 HydrophobicContact CD2-CD2 4.03Å; Y532-Y534 HydrophobicContact CE1-CD2 4.03Å; Y532-Y534 HydrophobicContact CE1-CG 4.34Å; Y532-Y534 VanDerWaalsContact CE1-O 3.31Å; Y532-Y534 WeakPolarHBondContact CE1-O 3.27Å; Y532-Y534 AromaticContact CE2-CD2 3.61Å; Y532-Y534 HydrophobicContact CE2-CD2 3.61Å; Y532-Y534 HydrophobicContact CE2-CE2 4.21Å; Y532-Y534 HydrophobicContact CG-CD2 4.4Å; Y532-Y534 AromaticContact CZ-CD2 3.62Å; Y532-Y534 PolarHBondContact O-N 3.26Å; Y534-Y536 PolarHBondContact O-N 3.38Å | ||
| 535 | H | 91.7 | Very high | 92 | Very high | 48 Ų | 48 | 21.5 Ų | 21.5 | 22% | 0.222 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -75.8 | -9.9 | 179.6 | -57.4 | 87.1 | 0 | 0 | 0 | 113.9 | P250 V628 L630 I631 F633 | P250-H535 WeakPolarHBondContact CG-O 3.41Å; H535-V628 HydrophobicContact CB-CG1 3.87Å; H535-L630 HydrophobicContact CB-CD2 4Å; H535-I631 PolarHBondContact CE1-O 2.7Å; H535-I631 PolarHBondContact NE2-O 3.17Å; H535-F633 AromaticContact CD2-CZ 3.89Å; H535-F633 AromaticContact CE1-CD2 3.97Å; H535-F633 AromaticContact CE1-CE2 3.24Å; H535-F633 WeakPolarHBondContact CE1-CE2 3.32Å; H535-F633 AromaticContact CE1-CZ 3.54Å; H535-F633 AromaticContact CG-CZ 3.93Å; H535-F633 AromaticContact ND1-CE2 3.51Å; H535-F633 AromaticContact ND1-CZ 3.73Å; H535-F633 AromaticContact NE2-CE2 3.78Å; H535-F633 AromaticContact NE2-CZ 3.63Å |
| 536 | Y | 92.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 5% | 0.047 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -136.4 | 150.9 | -173.1 | -55.8 | -79.4 | 0 | 0 | 0 | 111.6 | K485 L486 Y532 Y534 D617 V628 L630 | K485-Y536 HydrophobicContact CB-CD1 4.43Å; K485-Y536 HydrophobicContact CB-CD2 3.88Å; K485-Y536 HydrophobicContact CB-CE1 4.45Å; K485-Y536 HydrophobicContact CB-CE2 3.9Å; K485-Y536 HydrophobicContact CB-CG 4.15Å; K485-Y536 HydrophobicContact CD-CE1 4Å; K485-Y536 HydrophobicContact CD-CE2 4.4Å; K485-Y536 HydrophobicContact CG-CE1 4.49Å; K485-Y536 WeakPolarHBondContact O-CD2 3.45Å; K485-Y536 WeakPolarHBondContact O-CE2 3.14Å; L486-Y536 HydrophobicContact CD2-CD2 4.09Å; L486-Y536 HydrophobicContact CG-CD2 4.2Å; Y532-Y536 WeakPolarHBondContact CE1-O 3.2Å; Y532-Y536 PolarHBondContact OH-O 3.22Å; Y534-Y536 PolarHBondContact O-N 3.38Å; Y536-D617 WeakPolarHBondContact CE1-OD2 3.45Å; Y536-D617 PolarHBondContact OH-OD2 3.49Å; Y536-V628 HydrophobicContact CE1-CG1 4.35Å; Y536-V628 HydrophobicContact CE1-CG2 4.27Å; Y536-L630 HydrophobicContact CE2-CD2 4.17Å |
| 537 | A | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 159.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P250 H251 Y481 Y510 | P250-A537 HydrophobicContact CB-CB 4.28Å; H251-A537 WeakPolarHBondContact O-CB 3.38Å; Y481-A537 PolarHBondContact OH-O 2.75Å; Y481-A537 VanDerWaalsContact OH-O 3.06Å; Y510-A537 HydrophobicContact CD2-CB 4.16Å; Y510-A537 HydrophobicContact CE2-CB 3.56Å |
| 538 | P | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 163.7 | 168.2 | 33.8 | -35.1 | 0 | 0 | 0 | 111.8 | P253 Y482 L506 I507 Y510 D542 L543 | P253-P538 WeakPolarHBondContact CD-O 3.25Å; Y482-P538 VanDerWaalsContact OH-CA 3.31Å; Y482-P538 WeakPolarHBondContact OH-CA 3.48Å; Y482-P538 WeakPolarHBondContact OH-CB 3.49Å; L506-P538 HydrophobicContact CD2-CB 3.78Å; L506-P538 HydrophobicContact CD2-CG 3.94Å; I507-P538 HydrophobicContact CG1-CB 4.14Å; I507-P538 HydrophobicContact CG1-CG 4.43Å; Y510-P538 HydrophobicContact CD1-CG 4.36Å; Y510-P538 HydrophobicContact CD2-CG 4.49Å; Y510-P538 HydrophobicContact CG-CG 4.12Å; P538-D542 HydrophobicContact CB-CB 4.31Å; P538-L543 HydrophobicContact CB-CD2 4.41Å; P538-L543 HydrophobicContact CG-CD2 3.46Å; P538-L543 VanDerWaalsContact CG-CD2 3.46Å; P538-L543 HydrophobicContact CG-CG 4.18Å |
| 539 | F | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 157.6 | 166.8 | -68.2 | -86 | 0 | 0 | 0 | 111.5 | P253 E302 H477 R478 Y481 Y482 H541 D542 L543 | P253-F539 HydrophobicContact CB-CD1 3.7Å; P253-F539 HydrophobicContact CB-CE1 3.5Å; P253-F539 VanDerWaalsContact CB-CE1 3.5Å; P253-F539 HydrophobicContact CB-CG 4.47Å; P253-F539 HydrophobicContact CB-CZ 4.13Å; P253-F539 HydrophobicContact CG-CD1 4.05Å; P253-F539 HydrophobicContact CG-CE1 4.06Å; P253-F539 HydrophobicContact CG-CG 4.34Å; P253-F539 HydrophobicContact CG-CZ 4.36Å; E302-F539 WeakPolarHBondContact OE1-CA 3.4Å; E302-F539 WeakPolarHBondContact OE1-CB 3.41Å; H477-F539 AromaticContact CE1-CE1 3.89Å; H477-F539 AromaticContact CE1-CZ 3.76Å; H477-F539 AromaticContact ND1-CZ 3.91Å; R478-F539 HydrophobicContact CB-CE2 4.32Å; R478-F539 HydrophobicContact CG-CD2 3.77Å; R478-F539 HydrophobicContact CG-CE2 3.77Å; R478-F539 HydrophobicContact CG-CG 4.26Å; R478-F539 HydrophobicContact CG-CZ 4.28Å; Y481-F539 HydrophobicContact CD1-CD2 4.24Å; Y481-F539 AromaticContact CD1-CE2 3.39Å; Y481-F539 HydrophobicContact CD1-CE2 3.39Å; Y481-F539 AromaticContact CD1-CZ 3.95Å; Y481-F539 HydrophobicContact CD1-CZ 3.95Å; Y481-F539 HydrophobicContact CD2-CE2 4.4Å; Y481-F539 HydrophobicContact CD2-CZ 4.13Å; Y481-F539 HydrophobicContact CE1-CE2 4.03Å; Y481-F539 AromaticContact CG-CE2 3.61Å; Y481-F539 HydrophobicContact CG-CE2 3.61Å; Y481-F539 AromaticContact CG-CZ 3.72Å; Y481-F539 HydrophobicContact CG-CZ 3.72Å; Y482-F539 AromaticContact CE2-CD2 3.75Å; Y482-F539 HydrophobicContact CE2-CD2 3.75Å; Y482-F539 HydrophobicContact CE2-CE2 4.08Å; Y482-F539 AromaticContact CZ-CD2 3.92Å; Y482-F539 PolarHBondContact OH-N 3.23Å; F539-H541 VanDerWaalsContact C-N 3.31Å; F539-H541 PolarHBondContact O-N 3.03Å; F539-D542 PolarHBondContact O-N 3.34Å; F539-D542 VanDerWaalsContact O-N 3.11Å; F539-L543 PolarHBondContact O-N 3.46Å |
| 540 | V | 91.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | I252 L255 L295 L298 E302 D542 L543 | I252-V540 HydrophobicContact CG2-CG2 3.75Å; L255-V540 HydrophobicContact CD1-CG2 3.78Å; L295-V540 HydrophobicContact CD2-CG1 3.8Å; L298-V540 HydrophobicContact CB-CG1 3.85Å; L298-V540 HydrophobicContact CD2-CG1 3.94Å; L298-V540 HydrophobicContact CD2-CG2 4.1Å; L298-V540 HydrophobicContact CG-CG1 3.85Å; L298-V540 HydrophobicContact CG-CG2 4.21Å; E302-V540 HydrophobicContact CB-CB 4.47Å; E302-V540 WeakPolarHBondContact OE1-CG2 3.36Å; E302-V540 PolarHBondContact OE1-N 3.02Å; E302-V540 WeakPolarHBondContact OE2-CB 3.08Å; E302-V540 PolarHBondContact OE2-N 3.38Å; V540-D542 PolarHBondContact O-N 3.35Å; V540-L543 WeakPolarHBondContact O-CB 3.16Å; V540-L543 PolarHBondContact O-N 3.17Å |
| 541 | H | 89.4 | Confident | 90.2 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.7 | -34 | 176.6 | 178.8 | 97.1 | 0 | 0 | 0 | 113 | E302 R478 F539 I544 | E302-H541 WeakPolarHBondContact OE2-CB 3.43Å; E302-H541 PolarHBondContact OE2-N 3.03Å; R478-H541 PolarHBondContact NH1-CD2 3.34Å; R478-H541 VanDerWaalsContact NH1-CD2 3.32Å; R478-H541 PolarHBondContact NH1-NE2 3.05Å; R478-H541 VanDerWaalsContact NH1-NE2 3.18Å; R478-H541 PolarHBondContact NH2-CD2 2.85Å; F539-H541 VanDerWaalsContact C-N 3.31Å; F539-H541 PolarHBondContact O-N 3.03Å; H541-I544 WeakPolarHBondContact O-CB 3.44Å |
| 542 | D | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78.8 | -24.2 | 178.8 | -73.7 | -71.6 | 0 | 0 | 0 | 112.9 | R478 Y482 I507 P538 F539 V540 I544 L545 | R478-D542 IonicContact CZ-OD1 3.69Å; R478-D542 IonicContact CZ-OD2 3.69Å; R478-D542 IonicContact NE-OD1 2.75Å; R478-D542 IonicContact NE-OD2 3.38Å; R478-D542 PolarHBondContact NE-OD2 3.21Å; R478-D542 IonicContact NH2-OD1 3.28Å; R478-D542 PolarHBondContact NH2-OD1 2.9Å; R478-D542 IonicContact NH2-OD2 3.8Å; R478-D542 PolarHBondContact NH2-OD2 2.61Å; Y482-D542 WeakPolarHBondContact OH-CB 3.49Å; Y482-D542 PolarHBondContact OH-OD2 2.89Å; I507-D542 HydrophobicContact CD1-CB 4.23Å; I507-D542 VanDerWaalsContact CD1-O 3.32Å; I507-D542 WeakPolarHBondContact CD1-O 3.38Å; P538-D542 HydrophobicContact CB-CB 4.31Å; F539-D542 PolarHBondContact O-N 3.34Å; F539-D542 VanDerWaalsContact O-N 3.11Å; V540-D542 PolarHBondContact O-N 3.35Å; D542-I544 PolarHBondContact O-N 3.19Å; D542-L545 WeakPolarHBondContact O-CB 3.24Å; D542-L545 WeakPolarHBondContact O-CG 3.29Å; D542-L545 PolarHBondContact O-N 3.49Å |
| 543 | L | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -23.2 | 174.2 | -62.9 | 178.2 | 0 | 0 | 0 | 113.2 | L295 I507 Y510 I511 P538 F539 V540 L545 T547 | L295-L543 HydrophobicContact CD1-CB 3.71Å; L295-L543 HydrophobicContact CD2-CB 4.11Å; L295-L543 HydrophobicContact CD2-CD1 3.84Å; I507-L543 HydrophobicContact CG2-CD2 4.13Å; Y510-L543 HydrophobicContact CD1-CD1 4.28Å; Y510-L543 HydrophobicContact CD1-CD2 3.73Å; Y510-L543 HydrophobicContact CE1-CD1 4.17Å; Y510-L543 HydrophobicContact CE1-CD2 4.4Å; Y510-L543 HydrophobicContact CG-CD2 4.42Å; I511-L543 HydrophobicContact CD1-CD2 4.08Å; I511-L543 HydrophobicContact CG1-CD2 3.98Å; P538-L543 HydrophobicContact CB-CD2 4.41Å; P538-L543 HydrophobicContact CG-CD2 3.46Å; P538-L543 VanDerWaalsContact CG-CD2 3.46Å; P538-L543 HydrophobicContact CG-CG 4.18Å; F539-L543 PolarHBondContact O-N 3.46Å; V540-L543 WeakPolarHBondContact O-CB 3.16Å; V540-L543 PolarHBondContact O-N 3.17Å; L543-L545 VanDerWaalsContact C-N 3.25Å; L543-L545 PolarHBondContact O-N 3.3Å; L543-T547 PolarHBondContact O-N 3.3Å; L543-T547 PolarHBondContact O-OG1 2.93Å |
| 544 | I | 90.8 | Very high | 86.6 | Confident | 28 Ų | 28 | 46.3 Ų | 46.3 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 175.5 | -60.5 | 178 | 0 | 0 | 0 | 110.5 | L295 E296 H541 D542 Y546 T547 K548 | L295-I544 HydrophobicContact CB-CG1 4.09Å; E296-I544 HydrophobicContact CG-CD1 4.29Å; E296-I544 HydrophobicContact CG-CG2 4.47Å; H541-I544 WeakPolarHBondContact O-CB 3.44Å; D542-I544 PolarHBondContact O-N 3.19Å; I544-Y546 VanDerWaalsContact C-N 3.29Å; I544-Y546 PolarHBondContact O-N 3.17Å; I544-T547 WeakPolarHBondContact CA-OG1 2.89Å; I544-T547 PolarHBondContact O-N 3.01Å; I544-T547 PolarHBondContact O-OG1 2.91Å; I544-K548 WeakPolarHBondContact O-CB 3.28Å; I544-K548 PolarHBondContact O-N 2.94Å |
| 545 | L | 86.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.8 | -36.4 | -175.6 | -59.9 | 174.1 | 0 | 0 | 0 | 113.4 | M504 I507 D542 L543 | M504-L545 HydrophobicContact CE-CB 4.1Å; I507-L545 HydrophobicContact CD1-CB 4.49Å; I507-L545 HydrophobicContact CD1-CD1 4.09Å; D542-L545 WeakPolarHBondContact O-CB 3.24Å; D542-L545 WeakPolarHBondContact O-CG 3.29Å; D542-L545 PolarHBondContact O-N 3.49Å; L543-L545 VanDerWaalsContact C-N 3.25Å; L543-L545 PolarHBondContact O-N 3.3Å |
| 546 | Y | 87.5 | Confident | 83.4 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -90.1 | -33.4 | 177 | -177.4 | -99.9 | 0 | 0 | 0 | 113.3 | M504 I507 Q508 I511 I544 K549 F550 | M504-Y546 HydrophobicContact SD-CD2 4.01Å; I507-Y546 HydrophobicContact CG2-CG 4.48Å; Q508-Y546 HydrophobicContact CB-CE2 4.47Å; Q508-Y546 HydrophobicContact CG-CD2 3.33Å; Q508-Y546 HydrophobicContact CG-CE2 3.2Å; Q508-Y546 HydrophobicContact CG-CG 4.08Å; I511-Y546 HydrophobicContact CB-CD1 4.43Å; I511-Y546 HydrophobicContact CD1-CD1 3.65Å; I511-Y546 HydrophobicContact CD1-CG 4.19Å; I511-Y546 HydrophobicContact CG2-CD1 4.36Å; I511-Y546 HydrophobicContact CG2-CE1 4.41Å; I544-Y546 VanDerWaalsContact C-N 3.29Å; I544-Y546 PolarHBondContact O-N 3.17Å; Y546-K549 HydrophobicContact CE2-CD 4.39Å; Y546-K549 VanDerWaalsContact CE2-CE 3.42Å; Y546-K549 WeakPolarHBondContact O-CG 3.06Å; Y546-K549 PolarHBondContact OH-NZ 3.2Å; Y546-K549 VanDerWaalsContact OH-NZ 3.14Å; Y546-F550 HydrophobicContact CD1-CE2 4.14Å; Y546-F550 AromaticContact CE1-CE2 3.61Å; Y546-F550 HydrophobicContact CE1-CE2 3.61Å; Y546-F550 HydrophobicContact CE1-CZ 4.21Å |
| 547 | T | 89.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.6 | -29.2 | -177.2 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | F291 H292 L295 I511 L543 I544 K549 F550 | F291-T547 HydrophobicContact CD1-CG2 4.23Å; H292-T547 WeakPolarHBondContact ND1-CB 3.4Å; H292-T547 PolarHBondContact ND1-OG1 2.73Å; L295-T547 HydrophobicContact CD1-CG2 3.76Å; I511-T547 HydrophobicContact CD1-CG2 3.91Å; L543-T547 PolarHBondContact O-N 3.3Å; L543-T547 PolarHBondContact O-OG1 2.93Å; I544-T547 WeakPolarHBondContact CA-OG1 2.89Å; I544-T547 PolarHBondContact O-N 3.01Å; I544-T547 PolarHBondContact O-OG1 2.91Å; T547-K549 VanDerWaalsContact C-N 3.25Å; T547-K549 PolarHBondContact O-N 3.24Å; T547-K549 VanDerWaalsContact O-N 3.12Å; T547-F550 WeakPolarHBondContact O-CB 3.05Å; T547-F550 PolarHBondContact O-N 2.85Å |
| 548 | K | 88 | Confident | 79.2 | Confident | 118 Ų | 118 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -53.4 | -35.5 | -179 | -168.1 | 160.3 | -172.4 | 159.3 | 0 | 114.7 | H292 I544 F550 E551 | H292-K548 WeakPolarHBondContact CE1-CA 3.35Å; H292-K548 VanDerWaalsContact CE1-CB 3.47Å; H292-K548 WeakPolarHBondContact CE1-CB 3.47Å; H292-K548 PolarHBondContact CE1-N 2.98Å; H292-K548 PolarHBondContact ND1-N 2.93Å; I544-K548 WeakPolarHBondContact O-CB 3.28Å; I544-K548 PolarHBondContact O-N 2.94Å; K548-F550 PolarHBondContact O-N 3.33Å; K548-E551 WeakPolarHBondContact O-CB 3.38Å; K548-E551 PolarHBondContact O-N 2.75Å |
| 549 | K | 85.9 | Confident | 77.4 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -65.2 | -12.3 | 178 | 78.9 | -172.2 | -179.5 | 163.5 | 0 | 114.3 | Y546 T547 | Y546-K549 HydrophobicContact CE2-CD 4.39Å; Y546-K549 VanDerWaalsContact CE2-CE 3.42Å; Y546-K549 WeakPolarHBondContact O-CG 3.06Å; Y546-K549 PolarHBondContact OH-NZ 3.2Å; Y546-K549 VanDerWaalsContact OH-NZ 3.14Å; T547-K549 VanDerWaalsContact C-N 3.25Å; T547-K549 PolarHBondContact O-N 3.24Å; T547-K549 VanDerWaalsContact O-N 3.12Å |
| 550 | F | 85.3 | Confident | 75.8 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -102.5 | -8.3 | 175.7 | -58.3 | -83.1 | 0 | 0 | 0 | 113.4 | L288 P289 Y546 T547 K548 N552 C553 I559 W563 | L288-F550 HydrophobicContact CB-CB 3.93Å; L288-F550 HydrophobicContact CB-CD2 4.06Å; L288-F550 HydrophobicContact CB-CG 3.95Å; L288-F550 HydrophobicContact CD1-CD1 4.08Å; L288-F550 HydrophobicContact CD1-CD2 3.74Å; L288-F550 HydrophobicContact CD1-CE1 3.88Å; L288-F550 HydrophobicContact CD1-CE2 3.52Å; L288-F550 HydrophobicContact CD1-CG 4Å; L288-F550 HydrophobicContact CD1-CZ 3.58Å; P289-F550 WeakPolarHBondContact CG-O 3.38Å; Y546-F550 HydrophobicContact CD1-CE2 4.14Å; Y546-F550 AromaticContact CE1-CE2 3.61Å; Y546-F550 HydrophobicContact CE1-CE2 3.61Å; Y546-F550 HydrophobicContact CE1-CZ 4.21Å; T547-F550 WeakPolarHBondContact O-CB 3.05Å; T547-F550 PolarHBondContact O-N 2.85Å; K548-F550 PolarHBondContact O-N 3.33Å; F550-N552 PolarHBondContact O-N 3.46Å; F550-N552 VanDerWaalsContact O-N 3.11Å; F550-C553 VanDerWaalsContact O-CB 3.31Å; F550-C553 WeakPolarHBondContact O-CB 3.32Å; F550-C553 PolarHBondContact O-N 2.6Å; F550-I559 HydrophobicContact CD1-CD1 4.41Å; F550-W563 HydrophobicContact CE1-CB 4.5Å; F550-W563 HydrophobicContact CZ-CB 4.26Å |
| 551 | E | 80.4 | Confident | 74.8 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -44.5 | -177.5 | -179.2 | -171.2 | 179.2 | 0 | 0 | 112.8 | K548 | K548-E551 WeakPolarHBondContact O-CB 3.38Å; K548-E551 PolarHBondContact O-N 2.75Å |
| 552 | N | 76.4 | Confident | 74 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 73% | 0.733 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.4 | -176.3 | -71.9 | -78.3 | 0 | 0 | 0 | 114.2 | F550 Q554 | F550-N552 PolarHBondContact O-N 3.46Å; F550-N552 VanDerWaalsContact O-N 3.11Å; N552-Q554 PolarHBondContact O-N 2.95Å; N552-Q554 VanDerWaalsContact O-N 3.15Å |
| 553 | C | 72.6 | Confident | 73.7 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 31% | 0.311 | 39% | 0.39 | S | S | . | . | trans | -87.4 | 80.3 | -175.6 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | P289 F550 N555 I559 | P289-C553 HydrophobicContact CG-CB 4.3Å; P289-C553 WeakPolarHBondContact CG-O 3.15Å; F550-C553 VanDerWaalsContact O-CB 3.31Å; F550-C553 WeakPolarHBondContact O-CB 3.32Å; F550-C553 PolarHBondContact O-N 2.6Å; C553-N555 VanDerWaalsContact C-N 3.28Å; C553-N555 PolarHBondContact O-N 3.27Å; C553-I559 HydrophobicContact CB-CD1 3.84Å | ||
| 554 | Q | 58.3 | Low | 73.5 | Confident | 188 Ų | 188 | 75 Ų | 75 | 88% | 0.879 | 39% | 0.391 | S | S | * | . | trans | -60.7 | -26.5 | -177.8 | -63.3 | 177.7 | -6.5 | 0 | 0 | 115.4 | N552 F556 | N552-Q554 PolarHBondContact O-N 2.95Å; N552-Q554 VanDerWaalsContact O-N 3.15Å; Q554-F556 PolarHBondContact O-N 2.93Å | ||
| 555 | N | 57.1 | Low | 73.2 | Confident | 133 Ų | 133 | 79.4 Ų | 79.4 | 71% | 0.711 | 41% | 0.414 | S | S | * | . | trans | -95.1 | 78.5 | -176.6 | -83.3 | -28.8 | 0 | 0 | 0 | 112.3 | C553 N557 G558 I559 | C553-N555 VanDerWaalsContact C-N 3.28Å; C553-N555 PolarHBondContact O-N 3.27Å; N555-N557 PolarHBondContact O-N 3.29Å; N555-G558 WeakPolarHBondContact O-CA 3.39Å; N555-G558 PolarHBondContact O-N 3.18Å; N555-I559 PolarHBondContact O-N 3.4Å | ||
| 556 | F | 60.7 | Low | 73.4 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -53.4 | -51 | 177.3 | -178.4 | -112.1 | 0 | 0 | 0 | 112.6 | E282 L286 N287 Q554 G558 I559 | E282-F556 HydrophobicContact CB-CD1 4.4Å; E282-F556 HydrophobicContact CB-CE1 3.66Å; E282-F556 HydrophobicContact CB-CZ 4.3Å; E282-F556 HydrophobicContact CG-CE1 4.2Å; E282-F556 WeakPolarHBondContact OE2-CD1 3.48Å; L286-F556 WeakPolarHBondContact O-CE2 3.2Å; N287-F556 HydrophobicContact CB-CD2 4.13Å; N287-F556 HydrophobicContact CB-CE2 4.02Å; N287-F556 HydrophobicContact CB-CZ 4.46Å; Q554-F556 PolarHBondContact O-N 2.93Å; F556-G558 PolarHBondContact O-N 3Å; F556-I559 WeakPolarHBondContact O-CA 3.36Å; F556-I559 PolarHBondContact O-N 2.95Å |
| 557 | N | 51.4 | Low | 73.5 | Confident | 134 Ų | 134 | 82.1 Ų | 82.1 | 72% | 0.717 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -62.6 | -13.8 | 178.3 | -56.5 | 14.4 | 0 | 0 | 0 | 113.9 | N555 | N555-N557 PolarHBondContact O-N 3.29Š|
| 558 | G | 47 | Very low | 73.1 | Confident | 61 Ų | 61 | 88 Ų | 88 | 63% | 0.629 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -81.6 | -26.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N555 F556 K560 | N555-G558 WeakPolarHBondContact O-CA 3.39Å; N555-G558 PolarHBondContact O-N 3.18Å; F556-G558 PolarHBondContact O-N 3Å; G558-K560 VanDerWaalsContact C-N 3.28Å; G558-K560 PolarHBondContact O-N 3.39Å |
| 559 | I | 54.3 | Low | 72.9 | Confident | 46 Ų | 46 | 88.2 Ų | 88.2 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | trans | -81.8 | 76.5 | 176 | -51.6 | 171.5 | 0 | 0 | 0 | 108.9 | F550 C553 N555 F556 | F550-I559 HydrophobicContact CD1-CD1 4.41Å; C553-I559 HydrophobicContact CB-CD1 3.84Å; N555-I559 PolarHBondContact O-N 3.4Å; F556-I559 WeakPolarHBondContact O-CA 3.36Å; F556-I559 PolarHBondContact O-N 2.95Å | ||
| 560 | K | 58.1 | Low | 73.2 | Confident | 173 Ų | 173 | 82.9 Ų | 82.9 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | trans | -48.8 | 154.9 | 158 | -89.4 | 179.1 | 172.4 | 173.3 | 0 | 110.1 | G558 S562 | G558-K560 VanDerWaalsContact C-N 3.28Å; G558-K560 PolarHBondContact O-N 3.39Å; K560-S562 PolarHBondContact O-N 3.43Å; K560-S562 PolarHBondContact O-OG 3.01Å | ||
| 561 | L | 69.9 | Low | 73.5 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 32% | 0.319 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -56.4 | 9 | 179.1 | -70.3 | 166.2 | 0 | 0 | 0 | 116.4 | Y285 Q515 W563 T564 | Y285-L561 HydrophobicContact CD1-CD2 4.07Å; Y285-L561 HydrophobicContact CE1-CD1 3.92Å; Y285-L561 HydrophobicContact CE1-CD2 4.27Å; Y285-L561 HydrophobicContact CE1-CG 4.39Å; Q515-L561 HydrophobicContact CG-CD2 4.08Å; L561-W563 PolarHBondContact O-N 2.89Å; L561-W563 VanDerWaalsContact O-N 3.09Å; L561-T564 HydrophobicContact CD2-CG2 3.96Å; L561-T564 WeakPolarHBondContact O-CB 3.21Å; L561-T564 PolarHBondContact O-N 3.44Å; L561-T564 PolarHBondContact O-OG1 3.47Å |
| 562 | S | 72.9 | Confident | 74.2 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -55.6 | -23.7 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | K560 T564 N565 | K560-S562 PolarHBondContact O-N 3.43Å; K560-S562 PolarHBondContact O-OG 3.01Å; S562-T564 VanDerWaalsContact C-N 3.29Å; S562-T564 PolarHBondContact O-N 3.03Å; S562-N565 PolarHBondContact O-ND2 2.86Å; S562-N565 PolarHBondContact O-OD1 2.74Å |
| 563 | W | 84.3 | Confident | 75.1 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 12% | 0.117 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -70.5 | -23.3 | 173.3 | 70.1 | -93.2 | 0 | 0 | 0 | 113.3 | L288 I511 R512 Q515 F550 L561 | L288-W563 HydrophobicContact CD1-CD2 3.94Å; L288-W563 HydrophobicContact CD1-CE3 4.21Å; L288-W563 HydrophobicContact CD1-CG 4.49Å; L288-W563 HydrophobicContact CD1-CH2 4.12Å; L288-W563 HydrophobicContact CD1-CZ2 3.85Å; L288-W563 HydrophobicContact CD1-CZ3 4.31Å; L288-W563 HydrophobicContact CD2-CH2 4.28Å; L288-W563 HydrophobicContact CD2-CZ2 4.43Å; L288-W563 HydrophobicContact CG-CZ2 4.29Å; I511-W563 HydrophobicContact CG2-CH2 4.22Å; I511-W563 HydrophobicContact CG2-CZ3 4.02Å; R512-W563 HydrophobicContact CG-CZ3 4.25Å; Q515-W563 HydrophobicContact CB-CH2 3.63Å; Q515-W563 HydrophobicContact CB-CZ2 3.94Å; Q515-W563 HydrophobicContact CG-CH2 4.12Å; Q515-W563 HydrophobicContact CG-CZ2 3.91Å; F550-W563 HydrophobicContact CE1-CB 4.5Å; F550-W563 HydrophobicContact CZ-CB 4.26Å; L561-W563 PolarHBondContact O-N 2.89Å; L561-W563 VanDerWaalsContact O-N 3.09Å |
| 564 | T | 85.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -30.7 | 179.7 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | R512 Q515 L561 S562 F566 | R512-T564 VanDerWaalsContact CZ-O 3.3Å; R512-T564 PolarHBondContact NE-O 3.46Å; R512-T564 PolarHBondContact NH2-O 2.79Å; Q515-T564 HydrophobicContact CB-CG2 4.35Å; Q515-T564 HydrophobicContact CG-CG2 3.84Å; L561-T564 HydrophobicContact CD2-CG2 3.96Å; L561-T564 WeakPolarHBondContact O-CB 3.21Å; L561-T564 PolarHBondContact O-N 3.44Å; L561-T564 PolarHBondContact O-OG1 3.47Å; S562-T564 VanDerWaalsContact C-N 3.29Å; S562-T564 PolarHBondContact O-N 3.03Å; T564-F566 HydrophobicContact CG2-CD2 4.18Å; T564-F566 HydrophobicContact CG2-CE2 3.73Å; T564-F566 HydrophobicContact CG2-CZ 4.07Å; T564-F566 PolarHBondContact O-N 3.29Å; T564-F566 WeakPolarHBondContact OG1-CD2 3.42Å; T564-F566 PolarHBondContact OG1-N 2.98Å |
| 565 | N | 86.3 | Confident | 78 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | trans | 49.2 | 38.8 | -173.1 | -65.5 | -65.1 | 0 | 0 | 0 | 114.4 | S562 | S562-N565 PolarHBondContact O-ND2 2.86Å; S562-N565 PolarHBondContact O-OD1 2.74Å | ||
| 566 | F | 90.5 | Very high | 79.9 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | trans | -68.2 | 141.9 | 174.4 | -65 | -38.1 | 0 | 0 | 0 | 113 | R512 Q515 W516 A526 D527 F530 T564 T568 | R512-F566 WeakPolarHBondContact O-CZ 3.25Å; Q515-F566 HydrophobicContact CG-CE2 4.16Å; W516-F566 HydrophobicContact CB-CE1 4.09Å; W516-F566 HydrophobicContact CB-CZ 3.74Å; W516-F566 HydrophobicContact CG-CZ 4.5Å; A526-F566 HydrophobicContact CB-CD2 4.03Å; A526-F566 HydrophobicContact CB-CE2 4.45Å; D527-F566 HydrophobicContact CB-CB 4.16Å; D527-F566 HydrophobicContact CB-CD1 4.16Å; D527-F566 HydrophobicContact CB-CG 4.34Å; F530-F566 HydrophobicContact CD1-CD1 4.41Å; F530-F566 AromaticContact CD1-CE1 3.85Å; F530-F566 HydrophobicContact CD1-CE1 3.85Å; F530-F566 AromaticContact CE1-CE1 3.98Å; F530-F566 HydrophobicContact CE1-CE1 3.98Å; F530-F566 HydrophobicContact CG-CE1 4.36Å; T564-F566 HydrophobicContact CG2-CD2 4.18Å; T564-F566 HydrophobicContact CG2-CE2 3.73Å; T564-F566 HydrophobicContact CG2-CZ 4.07Å; T564-F566 PolarHBondContact O-N 3.29Å; T564-F566 WeakPolarHBondContact OG1-CD2 3.42Å; T564-F566 PolarHBondContact OG1-N 2.98Å; F566-T568 PolarHBondContact O-N 3.29Å | ||
| 567 | Q | 88.9 | Confident | 81.6 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | trans | -85.1 | 82.5 | 174.1 | -58.4 | -170.4 | 34.7 | 0 | 0 | 110 | D527 N569 S570 | D527-Q567 PolarHBondContact OD2-N 3.18Å; Q567-N569 PolarHBondContact O-N 3.41Å; Q567-S570 WeakPolarHBondContact O-CB 3.49Å; Q567-S570 PolarHBondContact O-N 3Å; Q567-S570 PolarHBondContact O-OG 3.49Å | ||
| 568 | T | 80.2 | Confident | 83.7 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 76% | 0.761 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.4 | -176.4 | 57.8 | 0 | 0 | 0 | 0 | 115.1 | F566 | F566-T568 PolarHBondContact O-N 3.29Š|
| 569 | N | 85.4 | Confident | 86 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.4 | 172.9 | 64.9 | -35.7 | 0 | 0 | 0 | 114.2 | Q567 Q571 | Q567-N569 PolarHBondContact O-N 3.41Å; N569-Q571 PolarHBondContact O-NE2 3.01Å |
| 570 | S | 91 | Very high | 88 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | trans | -53.7 | 153 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | D527 W528 D529 Q567 | D527-S570 WeakPolarHBondContact CA-OG 3.47Å; W528-S570 PolarHBondContact N-OG 3.2Å; D529-S570 VanDerWaalsContact OD2-CB 3.26Å; D529-S570 WeakPolarHBondContact OD2-CB 3.45Å; Q567-S570 WeakPolarHBondContact O-CB 3.49Å; Q567-S570 PolarHBondContact O-N 3Å; Q567-S570 PolarHBondContact O-OG 3.49Å | ||
| 571 | Q | 92 | Very high | 89.7 | Confident | 103 Ų | 103 | 44 Ų | 44 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | trans | -134.9 | 151.6 | -172.9 | -61.4 | -57.9 | -51.9 | 0 | 0 | 111.2 | N569 V573 | N569-Q571 PolarHBondContact O-NE2 3.01Å; Q571-V573 PolarHBondContact O-N 3.38Å | ||
| 572 | P | 94.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -59 | 125.8 | 173.2 | 22.6 | -32.9 | 0 | 0 | 0 | 111.7 | P134 W528 H660 | P134-P572 HydrophobicContact CB-CB 3.61Å; P134-P572 HydrophobicContact CB-CG 3.62Å; P134-P572 HydrophobicContact CG-CB 3.89Å; P134-P572 HydrophobicContact CG-CG 3.61Å; W528-P572 HydrophobicContact CD2-CB 4.13Å; W528-P572 HydrophobicContact CD2-CG 4.47Å; W528-P572 HydrophobicContact CE3-CB 3.62Å; W528-P572 HydrophobicContact CE3-CG 4.38Å; W528-P572 HydrophobicContact CH2-CB 4.48Å; W528-P572 HydrophobicContact CZ3-CB 3.81Å; P572-H660 WeakPolarHBondContact CB-NE2 3.49Å; P572-H660 WeakPolarHBondContact CG-NE2 3.42Å; P572-H660 PolarHBondContact O-NE2 2.87Å |
| 573 | V | 95 | Very high | 92 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 162 | 174.9 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | V51 M57 Q571 V577 Q578 M581 H660 | V51-V573 HydrophobicContact CG1-CG2 3.83Å; V51-V573 WeakPolarHBondContact CG1-O 3.48Å; M57-V573 HydrophobicContact CE-CG2 3.55Å; Q571-V573 PolarHBondContact O-N 3.38Å; V573-V577 HydrophobicContact CB-CB 4.23Å; V573-V577 HydrophobicContact CB-CG1 4.31Å; V573-V577 HydrophobicContact CG2-CB 4.39Å; V573-Q578 HydrophobicContact CG2-CB 4.29Å; V573-M581 HydrophobicContact CG2-SD 4.08Å; V573-H660 VanDerWaalsContact C-CE1 3.43Å; V573-H660 VanDerWaalsContact C-NE2 3.34Å; V573-H660 PolarHBondContact O-CE1 3.32Å; V573-H660 PolarHBondContact O-NE2 3.32Å |
| 574 | L | 96.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 35.5 Ų | 35.5 | 39% | 0.393 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 153.3 | -179.7 | -59.9 | 178.7 | 0 | 0 | 0 | 112.3 | F576 V577 Q578 N658 | L574-F576 VanDerWaalsContact C-N 3.35Å; L574-F576 PolarHBondContact O-N 3.37Å; L574-V577 HydrophobicContact CB-CG2 4.06Å; L574-V577 WeakPolarHBondContact O-CA 3.3Å; L574-V577 WeakPolarHBondContact O-CB 3.32Å; L574-V577 PolarHBondContact O-N 2.87Å; L574-Q578 PolarHBondContact O-N 3.49Å; L574-Q578 VanDerWaalsContact O-N 3.13Å; L574-N658 WeakPolarHBondContact CB-OD1 3.36Å |
| 575 | P | 96.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.4 | -40.8 | -174.3 | -29.7 | 35.5 | 0 | 0 | 0 | 116 | V51 Q578 Q579 N658 | V51-P575 HydrophobicContact CG2-CB 4.38Å; V51-P575 HydrophobicContact CG2-CG 4.14Å; P575-Q578 PolarHBondContact O-N 2.98Å; P575-Q579 WeakPolarHBondContact O-CG 3.25Å; P575-Q579 PolarHBondContact O-N 2.94Å; P575-N658 WeakPolarHBondContact CD-OD1 3.37Å |
| 576 | F | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.5 | -28.4 | 178.3 | -60.8 | -17.2 | 0 | 0 | 0 | 112.9 | L574 Q579 L580 P592 Y595 M643 L650 E654 R657 N658 | L574-F576 VanDerWaalsContact C-N 3.35Å; L574-F576 PolarHBondContact O-N 3.37Å; F576-Q579 PolarHBondContact O-N 3.34Å; F576-L580 PolarHBondContact O-N 2.87Å; F576-P592 HydrophobicContact CD1-CG 4.1Å; F576-P592 HydrophobicContact CD2-CG 3.73Å; F576-P592 HydrophobicContact CE1-CG 3.87Å; F576-P592 HydrophobicContact CE2-CG 3.47Å; F576-P592 VanDerWaalsContact CE2-CG 3.47Å; F576-P592 HydrophobicContact CG-CG 4.06Å; F576-P592 HydrophobicContact CZ-CG 3.55Å; F576-Y595 HydrophobicContact CB-CE2 4.08Å; F576-Y595 AromaticContact CD2-CE2 3.88Å; F576-Y595 HydrophobicContact CD2-CE2 3.88Å; F576-Y595 HydrophobicContact CG-CE2 4.25Å; F576-M643 HydrophobicContact CB-CE 4.11Å; F576-L650 HydrophobicContact CD2-CD1 4.2Å; F576-L650 HydrophobicContact CD2-CD2 4.36Å; F576-L650 HydrophobicContact CE2-CD1 4.06Å; F576-L650 HydrophobicContact CE2-CD2 4.06Å; F576-E654 HydrophobicContact CE2-CB 3.94Å; F576-E654 WeakPolarHBondContact CE2-O 3.36Å; F576-E654 HydrophobicContact CZ-CB 3.97Å; F576-E654 HydrophobicContact CZ-CG 4.38Å; F576-E654 VanDerWaalsContact CZ-O 3.3Å; F576-E654 WeakPolarHBondContact CZ-O 3.41Å; F576-R657 HydrophobicContact CE1-CG 4.16Å; F576-R657 HydrophobicContact CZ-CB 4.32Å; F576-R657 HydrophobicContact CZ-CG 4.34Å; F576-N658 WeakPolarHBondContact CB-OD1 3.15Å; F576-N658 HydrophobicContact CD1-CB 4.49Å; F576-N658 HydrophobicContact CD2-CB 3.6Å; F576-N658 WeakPolarHBondContact CD2-ND2 3.19Å; F576-N658 HydrophobicContact CE1-CB 4.42Å; F576-N658 HydrophobicContact CE2-CB 3.53Å; F576-N658 HydrophobicContact CG-CB 4.09Å; F576-N658 WeakPolarHBondContact CG-OD1 3.31Å; F576-N658 HydrophobicContact CZ-CB 3.97Å; F576-N658 PolarHBondContact N-OD1 2.85Å |
| 577 | V | 96.1 | Very high | 93 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -48.6 | 173.6 | -168 | 0 | 0 | 0 | 0 | 108.5 | V573 L574 Q579 L580 M581 L639 I640 M643 | V573-V577 HydrophobicContact CB-CB 4.23Å; V573-V577 HydrophobicContact CB-CG1 4.31Å; V573-V577 HydrophobicContact CG2-CB 4.39Å; L574-V577 HydrophobicContact CB-CG2 4.06Å; L574-V577 WeakPolarHBondContact O-CA 3.3Å; L574-V577 WeakPolarHBondContact O-CB 3.32Å; L574-V577 PolarHBondContact O-N 2.87Å; V577-Q579 VanDerWaalsContact C-N 3.32Å; V577-Q579 PolarHBondContact O-N 3.4Å; V577-L580 PolarHBondContact O-N 3.48Å; V577-M581 HydrophobicContact CB-SD 4.49Å; V577-M581 HydrophobicContact CG1-SD 3.78Å; V577-M581 WeakPolarHBondContact O-CG 3.47Å; V577-M581 PolarHBondContact O-N 2.97Å; V577-L639 HydrophobicContact CG1-CD2 3.75Å; V577-L639 HydrophobicContact CG1-CG 4.37Å; V577-I640 HydrophobicContact CG1-CG1 4.16Å; V577-M643 HydrophobicContact CB-SD 4.28Å; V577-M643 HydrophobicContact CG1-SD 4.29Å; V577-M643 HydrophobicContact CG2-CE 3.91Å; V577-M643 HydrophobicContact CG2-SD 3.89Å |
| 578 | Q | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -43.2 | 173.7 | -177.6 | -177.1 | -107.5 | 0 | 0 | 112.1 | V51 M57 V573 L574 P575 L580 M581 I582 | V51-Q578 HydrophobicContact CG1-CB 4.21Å; V51-Q578 HydrophobicContact CG2-CB 4.49Å; M57-Q578 HydrophobicContact CE-CB 3.94Å; M57-Q578 HydrophobicContact CE-CG 3.68Å; M57-Q578 HydrophobicContact CG-CG 4.43Å; M57-Q578 HydrophobicContact SD-CB 4.36Å; M57-Q578 HydrophobicContact SD-CG 3.9Å; V573-Q578 HydrophobicContact CG2-CB 4.29Å; L574-Q578 PolarHBondContact O-N 3.49Å; L574-Q578 VanDerWaalsContact O-N 3.13Å; P575-Q578 PolarHBondContact O-N 2.98Å; Q578-L580 VanDerWaalsContact C-N 3.33Å; Q578-L580 PolarHBondContact O-N 3.37Å; Q578-M581 CarbonylContact O-C 3.55Å; Q578-M581 WeakPolarHBondContact O-CA 3.38Å; Q578-M581 WeakPolarHBondContact O-CB 3.47Å; Q578-M581 PolarHBondContact O-N 3.43Å; Q578-I582 HydrophobicContact CG-CD1 4.27Å; Q578-I582 HydrophobicContact CG-CG2 4.3Å; Q578-I582 WeakPolarHBondContact O-CG1 3.3Å; Q578-I582 PolarHBondContact O-N 2.92Å |
| 579 | Q | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 178.7 | -75.4 | 171.2 | 11.6 | 0 | 0 | 112.1 | P95 G96 P575 F576 V577 M581 I582 L583 V591 | P95-Q579 PolarHBondContact O-NE2 3.41Å; G96-Q579 PolarHBondContact O-NE2 3.18Å; G96-Q579 VanDerWaalsContact O-NE2 3.14Å; P575-Q579 WeakPolarHBondContact O-CG 3.25Å; P575-Q579 PolarHBondContact O-N 2.94Å; F576-Q579 PolarHBondContact O-N 3.34Å; V577-Q579 VanDerWaalsContact C-N 3.32Å; V577-Q579 PolarHBondContact O-N 3.4Å; Q579-M581 VanDerWaalsContact C-N 3.26Å; Q579-M581 PolarHBondContact O-N 2.86Å; Q579-I582 PolarHBondContact O-N 3.15Å; Q579-L583 HydrophobicContact CB-CD1 4.06Å; Q579-L583 HydrophobicContact CG-CD1 4.32Å; Q579-L583 VanDerWaalsContact O-CB 3.3Å; Q579-L583 WeakPolarHBondContact O-CB 3.32Å; Q579-L583 WeakPolarHBondContact O-CG 3.35Å; Q579-L583 PolarHBondContact O-N 2.92Å; Q579-V591 HydrophobicContact CB-CG1 3.84Å |
| 580 | L | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.3 | -19.8 | 175.9 | -67.8 | 166.8 | 0 | 0 | 0 | 113 | F576 V577 Q578 V591 Y595 M599 L639 M643 | F576-L580 PolarHBondContact O-N 2.87Å; V577-L580 PolarHBondContact O-N 3.48Å; Q578-L580 VanDerWaalsContact C-N 3.33Å; Q578-L580 PolarHBondContact O-N 3.37Å; L580-V591 HydrophobicContact CD2-CG2 4.4Å; L580-Y595 HydrophobicContact CD1-CD1 4.28Å; L580-Y595 HydrophobicContact CD1-CD2 4.3Å; L580-Y595 HydrophobicContact CD1-CG 4.01Å; L580-M599 HydrophobicContact CD2-CG 3.5Å; L580-M599 VanDerWaalsContact CD2-CG 3.5Å; L580-M599 HydrophobicContact CD2-SD 3.61Å; L580-L639 HydrophobicContact CB-CD1 3.66Å; L580-L639 HydrophobicContact CB-CD2 4.05Å; L580-L639 HydrophobicContact CD1-CD1 3.85Å; L580-L639 HydrophobicContact CG-CD1 4.35Å; L580-M643 HydrophobicContact CD1-CE 3.93Å; L580-M643 HydrophobicContact CD1-CG 3.8Å; L580-M643 HydrophobicContact CD1-SD 3.72Å |
| 581 | M | 94.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -80.1 | -19.7 | 171.8 | -64.3 | 156.9 | 91 | 0 | 0 | 113.7 | M57 R61 V573 V577 Q578 Q579 L634 Q636 L639 | M57-M581 HydrophobicContact CE-CE 4.49Å; M57-M581 HydrophobicContact SD-CB 4.08Å; M57-M581 HydrophobicContact SD-CE 3.52Å; M57-M581 VanDerWaalsContact SD-CE 3.52Å; M57-M581 HydrophobicContact SD-CG 4.5Å; M57-M581 HydrophobicContact SD-SD 3.7Å; R61-M581 WeakPolarHBondContact CD-O 3.31Å; R61-M581 PolarHBondContact NH1-O 3.48Å; V573-M581 HydrophobicContact CG2-SD 4.08Å; V577-M581 HydrophobicContact CB-SD 4.49Å; V577-M581 HydrophobicContact CG1-SD 3.78Å; V577-M581 WeakPolarHBondContact O-CG 3.47Å; V577-M581 PolarHBondContact O-N 2.97Å; Q578-M581 CarbonylContact O-C 3.55Å; Q578-M581 WeakPolarHBondContact O-CA 3.38Å; Q578-M581 WeakPolarHBondContact O-CB 3.47Å; Q578-M581 PolarHBondContact O-N 3.43Å; Q579-M581 VanDerWaalsContact C-N 3.26Å; Q579-M581 PolarHBondContact O-N 2.86Å; M581-L634 HydrophobicContact CG-CD2 3.85Å; M581-Q636 HydrophobicContact CE-CG 4.44Å; M581-L639 HydrophobicContact CG-CD2 3.5Å; M581-L639 HydrophobicContact SD-CD2 4.28Å |
| 582 | I | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -121.9 | -24.6 | -174.8 | 73.5 | 179.5 | 0 | 0 | 0 | 116 | M57 Q60 R61 R64 Q578 Q579 | M57-I582 HydrophobicContact CB-CG2 3.97Å; M57-I582 HydrophobicContact CG-CG2 4.37Å; Q60-I582 HydrophobicContact CB-CG2 4.19Å; R61-I582 HydrophobicContact CB-CB 4.41Å; R64-I582 WeakPolarHBondContact CB-O 3.45Å; Q578-I582 HydrophobicContact CG-CD1 4.27Å; Q578-I582 HydrophobicContact CG-CG2 4.3Å; Q578-I582 WeakPolarHBondContact O-CG1 3.3Å; Q578-I582 PolarHBondContact O-N 2.92Å; Q579-I582 PolarHBondContact O-N 3.15Å |
| 583 | L | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -87.9 | 140 | -171.2 | -65.5 | -180 | 0 | 0 | 0 | 113.4 | R64 C91 Q579 I590 V591 M599 F610 | R64-L583 HydrophobicContact CG-CD2 4.39Å; C91-L583 HydrophobicContact CB-CD2 3.76Å; Q579-L583 HydrophobicContact CB-CD1 4.06Å; Q579-L583 HydrophobicContact CG-CD1 4.32Å; Q579-L583 VanDerWaalsContact O-CB 3.3Å; Q579-L583 WeakPolarHBondContact O-CB 3.32Å; Q579-L583 WeakPolarHBondContact O-CG 3.35Å; Q579-L583 PolarHBondContact O-N 2.92Å; L583-I590 HydrophobicContact CD1-CB 4.22Å; L583-I590 HydrophobicContact CD1-CG2 4.13Å; L583-V591 HydrophobicContact CD1-CG1 3.74Å; L583-M599 HydrophobicContact CB-CE 3.88Å; L583-M599 VanDerWaalsContact O-CE 3.3Å; L583-M599 WeakPolarHBondContact O-CE 3.37Å; L583-F610 WeakPolarHBondContact O-CE1 3.48Å | ||
| 584 | P | 94 | Very high | 94.2 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | trans | -77.1 | 163 | 171.2 | 32.1 | -34.6 | 0 | 0 | 0 | 112 | F65 A68 D586 S587 M599 | F65-P584 HydrophobicContact CD1-CB 4.08Å; F65-P584 HydrophobicContact CD2-CB 3.91Å; F65-P584 HydrophobicContact CE1-CB 4.11Å; F65-P584 HydrophobicContact CE2-CB 3.96Å; F65-P584 HydrophobicContact CG-CB 3.99Å; F65-P584 HydrophobicContact CZ-CB 4.07Å; A68-P584 HydrophobicContact CB-CB 4.18Å; A68-P584 HydrophobicContact CB-CG 3.56Å; P584-D586 VanDerWaalsContact C-N 3.27Å; P584-D586 PolarHBondContact O-N 3.03Å; P584-S587 PolarHBondContact O-N 2.79Å; P584-M599 VanDerWaalsContact O-CE 3.3Å; P584-M599 WeakPolarHBondContact O-CE 3.42Å | ||
| 585 | S | 92.3 | Very high | 94.2 | Very high | 19 Ų | 19 | 18 Ų | 18 | 13% | 0.133 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -63.4 | -26.9 | -179.5 | 50.9 | 0 | 0 | 0 | 0 | 114 | S587 A588 M599 | S585-S587 PolarHBondContact O-N 3.28Å; S585-A588 WeakPolarHBondContact O-CB 3.31Å; S585-A588 PolarHBondContact O-N 2.86Å; S585-M599 VanDerWaalsContact CB-O 3.26Å; S585-M599 WeakPolarHBondContact CB-O 3.3Å |
| 586 | D | 89.4 | Confident | 94.1 | Very high | 80 Ų | 80 | 23.3 Ų | 23.3 | 43% | 0.428 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -59.8 | -31.1 | 170.3 | -64.5 | -88 | 0 | 0 | 0 | 113 | A68 R72 P584 | A68-D586 HydrophobicContact CB-CB 4.2Å; R72-D586 IonicContact CZ-OD2 3.45Å; R72-D586 IonicContact NE-OD1 3.16Å; R72-D586 PolarHBondContact NE-OD1 2.86Å; R72-D586 IonicContact NE-OD2 2.69Å; R72-D586 IonicContact NH2-OD1 3.43Å; R72-D586 IonicContact NH2-OD2 2.73Å; R72-D586 PolarHBondContact NH2-OD2 2.91Å; P584-D586 VanDerWaalsContact C-N 3.27Å; P584-D586 PolarHBondContact O-N 3.03Å |
| 587 | S | 91.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -98.2 | 13.7 | -178.9 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | D89 P584 S585 Y589 I590 | D89-S587 PolarHBondContact OD2-OG 2.94Å; D89-S587 VanDerWaalsContact OD2-OG 3.05Å; P584-S587 PolarHBondContact O-N 2.79Å; S585-S587 PolarHBondContact O-N 3.28Å; S587-Y589 PolarHBondContact O-N 2.93Å; S587-Y589 VanDerWaalsContact O-N 3.08Å; S587-I590 VanDerWaalsContact O-CB 3.31Å; S587-I590 WeakPolarHBondContact O-CB 3.4Å; S587-I590 WeakPolarHBondContact O-CG1 3.5Å; S587-I590 PolarHBondContact O-N 2.82Å |
| 588 | A | 92.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -57.4 | -26.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S585 I590 V591 W596 M599 T600 | S585-A588 WeakPolarHBondContact O-CB 3.31Å; S585-A588 PolarHBondContact O-N 2.86Å; A588-I590 PolarHBondContact O-N 3.02Å; A588-V591 WeakPolarHBondContact O-CG2 3.34Å; A588-V591 PolarHBondContact O-N 3.42Å; A588-W596 PolarHBondContact O-NE1 2.92Å; A588-M599 HydrophobicContact CB-CB 4.04Å; A588-M599 HydrophobicContact CB-CE 4.28Å; A588-M599 HydrophobicContact CB-SD 3.76Å; A588-T600 HydrophobicContact CB-CG2 3.91Å |
| 589 | Y | 92.3 | Very high | 93.6 | Very high | 131 Ų | 131 | 31.4 Ų | 31.4 | 51% | 0.514 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -61.6 | -14.4 | 175.9 | 79.1 | -88.8 | 0 | 0 | 0 | 114.4 | D89 S587 | D89-Y589 WeakPolarHBondContact CB-OH 3.41Å; D89-Y589 PolarHBondContact OD2-OH 3.19Å; S587-Y589 PolarHBondContact O-N 2.93Å; S587-Y589 VanDerWaalsContact O-N 3.08Å |
| 590 | I | 92.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -81.7 | -29.5 | -179.7 | -60.7 | -178.5 | 0 | 0 | 0 | 111.8 | C91 V92 T97 L583 S587 A588 | C91-I590 HydrophobicContact CB-CD1 3.55Å; V92-I590 HydrophobicContact CG1-CD1 3.78Å; V92-I590 HydrophobicContact CG1-CG1 4.29Å; T97-I590 HydrophobicContact CG2-CG2 3.38Å; L583-I590 HydrophobicContact CD1-CB 4.22Å; L583-I590 HydrophobicContact CD1-CG2 4.13Å; S587-I590 VanDerWaalsContact O-CB 3.31Å; S587-I590 WeakPolarHBondContact O-CB 3.4Å; S587-I590 WeakPolarHBondContact O-CG1 3.5Å; S587-I590 PolarHBondContact O-N 2.82Å; A588-I590 PolarHBondContact O-N 3.02Å |
| 591 | V | 93.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -84.9 | 158.2 | 178.3 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | Q579 L580 L583 A588 A593 W596 M599 | Q579-V591 HydrophobicContact CB-CG1 3.84Å; L580-V591 HydrophobicContact CD2-CG2 4.4Å; L583-V591 HydrophobicContact CD1-CG1 3.74Å; A588-V591 WeakPolarHBondContact O-CG2 3.34Å; A588-V591 PolarHBondContact O-N 3.42Å; V591-A593 PolarHBondContact O-N 2.79Å; V591-W596 PolarHBondContact O-NE1 3.35Å; V591-M599 HydrophobicContact CG1-SD 4.13Å; V591-M599 HydrophobicContact CG2-SD 3.77Å |
| 592 | P | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -48 | 137.9 | 173.1 | -32.5 | 37.9 | 0 | 0 | 0 | 113.7 | F576 P594 Y595 L650 E654 | F576-P592 HydrophobicContact CD1-CG 4.1Å; F576-P592 HydrophobicContact CD2-CG 3.73Å; F576-P592 HydrophobicContact CE1-CG 3.87Å; F576-P592 HydrophobicContact CE2-CG 3.47Å; F576-P592 VanDerWaalsContact CE2-CG 3.47Å; F576-P592 HydrophobicContact CG-CG 4.06Å; F576-P592 HydrophobicContact CZ-CG 3.55Å; P592-P594 VanDerWaalsContact C-N 3.29Å; P592-P594 VanDerWaalsContact O-N 3.13Å; P592-Y595 HydrophobicContact CB-CD2 3.75Å; P592-Y595 HydrophobicContact CB-CE2 3.82Å; P592-Y595 HydrophobicContact CG-CD2 4.04Å; P592-Y595 HydrophobicContact CG-CE2 3.86Å; P592-Y595 PolarHBondContact O-N 2.77Å; P592-L650 HydrophobicContact CB-CD2 3.71Å; P592-L650 HydrophobicContact CG-CD2 4.1Å; P592-E654 VanDerWaalsContact CB-OE1 3.3Å; P592-E654 WeakPolarHBondContact CB-OE1 3.3Å; P592-E654 HydrophobicContact CG-CG 4.37Å | ||
| 593 | A | 93.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -52 | -34.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V591 Y595 W596 | V591-A593 PolarHBondContact O-N 2.79Å; A593-Y595 PolarHBondContact O-N 3.19Å; A593-Y595 VanDerWaalsContact O-N 3.11Å; A593-W596 HydrophobicContact CB-CD2 4.26Å; A593-W596 HydrophobicContact CB-CH2 4.46Å; A593-W596 HydrophobicContact CB-CZ2 4.18Å; A593-W596 PolarHBondContact O-N 3.2Å |
| 594 | P | 94.2 | Very high | 92.7 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -59.2 | -18.1 | 175 | -28 | 37.6 | 0 | 0 | 0 | 116.1 | P592 K649 L650 | P592-P594 VanDerWaalsContact C-N 3.29Å; P592-P594 VanDerWaalsContact O-N 3.13Å; P594-K649 HydrophobicContact CB-CB 3.96Å; P594-K649 HydrophobicContact CB-CD 4.42Å; P594-K649 HydrophobicContact CG-CB 3.77Å; P594-L650 HydrophobicContact CG-CD2 4.44Å |
| 595 | Y | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -101.8 | -4.5 | -179.8 | -48.7 | -59.4 | 0 | 0 | 0 | 114 | F576 L580 P592 A593 E597 L598 M643 D647 L650 | F576-Y595 HydrophobicContact CB-CE2 4.08Å; F576-Y595 AromaticContact CD2-CE2 3.88Å; F576-Y595 HydrophobicContact CD2-CE2 3.88Å; F576-Y595 HydrophobicContact CG-CE2 4.25Å; L580-Y595 HydrophobicContact CD1-CD1 4.28Å; L580-Y595 HydrophobicContact CD1-CD2 4.3Å; L580-Y595 HydrophobicContact CD1-CG 4.01Å; P592-Y595 HydrophobicContact CB-CD2 3.75Å; P592-Y595 HydrophobicContact CB-CE2 3.82Å; P592-Y595 HydrophobicContact CG-CD2 4.04Å; P592-Y595 HydrophobicContact CG-CE2 3.86Å; P592-Y595 PolarHBondContact O-N 2.77Å; A593-Y595 PolarHBondContact O-N 3.19Å; A593-Y595 VanDerWaalsContact O-N 3.11Å; Y595-E597 VanDerWaalsContact C-N 3.27Å; Y595-E597 PolarHBondContact O-N 2.89Å; Y595-L598 HydrophobicContact CD1-CD1 4.04Å; Y595-L598 WeakPolarHBondContact O-CB 3.27Å; Y595-L598 PolarHBondContact O-N 3.27Å; Y595-M643 HydrophobicContact CD1-CG 4.37Å; Y595-M643 HydrophobicContact CE1-CB 4.08Å; Y595-M643 HydrophobicContact CE1-CE 3.87Å; Y595-M643 HydrophobicContact CE1-CG 4.09Å; Y595-M643 HydrophobicContact CE2-CE 4.2Å; Y595-D647 PolarHBondContact OH-OD1 2.62Å; Y595-L650 HydrophobicContact CE2-CD2 3.97Å |
| 596 | W | 94.5 | Very high | 92.7 | Very high | 115 Ų | 115 | 51 Ų | 51 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -38.3 | -175.9 | -69.5 | -2.4 | 0 | 0 | 0 | 112.9 | A588 V591 A593 L598 M599 T600 | A588-W596 PolarHBondContact O-NE1 2.92Å; V591-W596 PolarHBondContact O-NE1 3.35Å; A593-W596 HydrophobicContact CB-CD2 4.26Å; A593-W596 HydrophobicContact CB-CH2 4.46Å; A593-W596 HydrophobicContact CB-CZ2 4.18Å; A593-W596 PolarHBondContact O-N 3.2Å; W596-L598 VanDerWaalsContact C-N 3.28Å; W596-L598 PolarHBondContact O-N 2.76Å; W596-M599 PolarHBondContact O-N 3.36Å; W596-T600 WeakPolarHBondContact O-CB 3.47Å; W596-T600 WeakPolarHBondContact O-CG2 3.39Å; W596-T600 PolarHBondContact O-N 3.37Å; W596-T600 VanDerWaalsContact O-N 3.11Å; W596-T600 PolarHBondContact O-OG1 3.23Å |
| 597 | E | 92.2 | Very high | 92.8 | Very high | 153 Ų | 153 | 48.9 Ų | 48.9 | 72% | 0.715 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.5 | -30.9 | 177.2 | -64.6 | -176.5 | 168.7 | 0 | 0 | 112.3 | Y595 M599 T600 S601 | Y595-E597 VanDerWaalsContact C-N 3.27Å; Y595-E597 PolarHBondContact O-N 2.89Å; E597-M599 VanDerWaalsContact C-N 3.3Å; E597-M599 PolarHBondContact O-N 2.89Å; E597-T600 PolarHBondContact O-N 2.99Å; E597-S601 WeakPolarHBondContact O-CB 3.44Å; E597-S601 PolarHBondContact O-N 3.38Å |
| 598 | L | 93.5 | Very high | 92.8 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -31.5 | 177.7 | -59.7 | 179.8 | 0 | 0 | 0 | 112.5 | Y595 W596 S604 L606 A642 M643 | Y595-L598 HydrophobicContact CD1-CD1 4.04Å; Y595-L598 WeakPolarHBondContact O-CB 3.27Å; Y595-L598 PolarHBondContact O-N 3.27Å; W596-L598 VanDerWaalsContact C-N 3.28Å; W596-L598 PolarHBondContact O-N 2.76Å; L598-S604 WeakPolarHBondContact CA-OG 3.49Å; L598-S604 VanDerWaalsContact O-CB 3.31Å; L598-S604 WeakPolarHBondContact O-CB 3.33Å; L598-S604 PolarHBondContact O-OG 3.18Å; L598-L606 HydrophobicContact CB-CD1 4.43Å; L598-A642 HydrophobicContact CD1-CB 4.43Å; L598-A642 HydrophobicContact CD2-CB 4.21Å; L598-M643 HydrophobicContact CD1-CG 4.5Å |
| 599 | M | 93.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -91.2 | -22.1 | 179.4 | -60.8 | -177.7 | 76.8 | 0 | 0 | 113.7 | L580 L583 P584 S585 A588 V591 W596 E597 F610 | L580-M599 HydrophobicContact CD2-CG 3.5Å; L580-M599 VanDerWaalsContact CD2-CG 3.5Å; L580-M599 HydrophobicContact CD2-SD 3.61Å; L583-M599 HydrophobicContact CB-CE 3.88Å; L583-M599 VanDerWaalsContact O-CE 3.3Å; L583-M599 WeakPolarHBondContact O-CE 3.37Å; P584-M599 VanDerWaalsContact O-CE 3.3Å; P584-M599 WeakPolarHBondContact O-CE 3.42Å; S585-M599 VanDerWaalsContact CB-O 3.26Å; S585-M599 WeakPolarHBondContact CB-O 3.3Å; A588-M599 HydrophobicContact CB-CB 4.04Å; A588-M599 HydrophobicContact CB-CE 4.28Å; A588-M599 HydrophobicContact CB-SD 3.76Å; V591-M599 HydrophobicContact CG1-SD 4.13Å; V591-M599 HydrophobicContact CG2-SD 3.77Å; W596-M599 PolarHBondContact O-N 3.36Å; E597-M599 VanDerWaalsContact C-N 3.3Å; E597-M599 PolarHBondContact O-N 2.89Å; M599-F610 HydrophobicContact CB-CE2 4.49Å; M599-F610 HydrophobicContact CE-CD1 4.29Å; M599-F610 HydrophobicContact CE-CE1 3.9Å; M599-F610 HydrophobicContact CG-CE1 4.18Å; M599-F610 HydrophobicContact CG-CE2 4.21Å; M599-F610 HydrophobicContact CG-CZ 3.94Å |
| 600 | T | 92.3 | Very high | 92.8 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -120.6 | -23 | -166.3 | 61.4 | 0 | 0 | 0 | 0 | 115 | A588 W596 E597 | A588-T600 HydrophobicContact CB-CG2 3.91Å; W596-T600 WeakPolarHBondContact O-CB 3.47Å; W596-T600 WeakPolarHBondContact O-CG2 3.39Å; W596-T600 PolarHBondContact O-N 3.37Å; W596-T600 VanDerWaalsContact O-N 3.11Å; W596-T600 PolarHBondContact O-OG1 3.23Å; E597-T600 PolarHBondContact O-N 2.99Å |
| 601 | S | 91.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 50 Ų | 50 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | trans | -82.4 | 130.5 | 179.1 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | E597 S603 S604 | E597-S601 WeakPolarHBondContact O-CB 3.44Å; E597-S601 PolarHBondContact O-N 3.38Å; S601-S603 PolarHBondContact O-N 3.25Å; S601-S603 VanDerWaalsContact O-N 3.12Å; S601-S603 PolarHBondContact OG-N 3.3Å; S601-S603 VanDerWaalsContact OG-N 3.12Å; S601-S603 PolarHBondContact OG-OG 3.34Å; S601-S604 WeakPolarHBondContact O-CB 3.39Å; S601-S604 PolarHBondContact O-N 3.12Å | ||
| 602 | P | 90.4 | Very high | 92.3 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 82% | 0.818 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.4 | 166.7 | -22.3 | 34.3 | 0 | 0 | 0 | 114.1 | ||
| 603 | S | 91.2 | Very high | 92 | Very high | 104 Ų | 104 | 64.6 Ų | 64.6 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 2.1 | 173.4 | 76 | 0 | 0 | 0 | 0 | 113.8 | S601 | S601-S603 PolarHBondContact O-N 3.25Å; S601-S603 VanDerWaalsContact O-N 3.12Å; S601-S603 PolarHBondContact OG-N 3.3Å; S601-S603 VanDerWaalsContact OG-N 3.12Å; S601-S603 PolarHBondContact OG-OG 3.34Å |
| 604 | S | 91.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -68.2 | 138.8 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | L598 S601 L606 A607 | L598-S604 WeakPolarHBondContact CA-OG 3.49Å; L598-S604 VanDerWaalsContact O-CB 3.31Å; L598-S604 WeakPolarHBondContact O-CB 3.33Å; L598-S604 PolarHBondContact O-OG 3.18Å; S601-S604 WeakPolarHBondContact O-CB 3.39Å; S601-S604 PolarHBondContact O-N 3.12Å; S604-L606 PolarHBondContact O-N 3.31Å; S604-L606 PolarHBondContact OG-N 3Å; S604-A607 WeakPolarHBondContact O-CB 3.31Å; S604-A607 PolarHBondContact O-N 2.93Å; S604-A607 VanDerWaalsContact O-N 3.09Å |
| 605 | P | 91.8 | Very high | 91.5 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -9.3 | 168.8 | 29.6 | -36.1 | 0 | 0 | 0 | 112.7 | A642 | P605-A642 HydrophobicContact CG-CB 3.86Š|
| 606 | L | 93 | Very high | 91 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 5.4 | 177.2 | -54.4 | 177.9 | 0 | 0 | 0 | 113.8 | L598 S604 E608 F609 F610 L638 L639 A642 | L598-L606 HydrophobicContact CB-CD1 4.43Å; S604-L606 PolarHBondContact O-N 3.31Å; S604-L606 PolarHBondContact OG-N 3Å; L606-E608 VanDerWaalsContact C-N 3.27Å; L606-E608 PolarHBondContact O-N 3.25Å; L606-F609 HydrophobicContact CB-CD2 4.21Å; L606-F609 HydrophobicContact CD2-CD2 4.16Å; L606-F609 HydrophobicContact CD2-CE2 4.34Å; L606-F609 PolarHBondContact O-N 3.38Å; L606-F610 HydrophobicContact CB-CD2 4.23Å; L606-F610 HydrophobicContact CB-CE2 3.76Å; L606-F610 HydrophobicContact CD1-CE2 4.34Å; L606-F610 WeakPolarHBondContact O-CD2 3.49Å; L606-L638 HydrophobicContact CD2-CD2 4.07Å; L606-L638 HydrophobicContact CD2-CG 3.84Å; L606-L639 HydrophobicContact CD1-CB 4.49Å; L606-L639 HydrophobicContact CD1-CD1 3.59Å; L606-A642 HydrophobicContact CD1-CB 4.14Å; L606-A642 HydrophobicContact CG-CB 4.24Å |
| 607 | A | 92 | Very high | 90.6 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -56.8 | -36.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | S604 F609 F610 | S604-A607 WeakPolarHBondContact O-CB 3.31Å; S604-A607 PolarHBondContact O-N 2.93Å; S604-A607 VanDerWaalsContact O-N 3.09Å; A607-F609 PolarHBondContact O-N 3.11Å; A607-F610 PolarHBondContact O-N 3.02Å |
| 608 | E | 92.3 | Very high | 89.8 | Confident | 111 Ų | 111 | 65 Ų | 65 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -60.7 | -31.7 | 176.8 | -176.3 | 171.1 | 177.6 | 0 | 0 | 113 | L606 F610 P1637 | L606-E608 VanDerWaalsContact C-N 3.27Å; L606-E608 PolarHBondContact O-N 3.25Å; E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 3.28Å; E608-P1637 WeakPolarHBondContact OE1-CG 3.48Å |
| 609 | F | 93 | Very high | 89 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 11% | 0.114 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -81.6 | -8.2 | -178.2 | -53.3 | -73.3 | 0 | 0 | 0 | 113.4 | R61 L606 A607 P611 P632 F633 L634 L638 | R61-F609 PolarHBondContact NH2-O 3.19Å; L606-F609 HydrophobicContact CB-CD2 4.21Å; L606-F609 HydrophobicContact CD2-CD2 4.16Å; L606-F609 HydrophobicContact CD2-CE2 4.34Å; L606-F609 PolarHBondContact O-N 3.38Å; A607-F609 PolarHBondContact O-N 3.11Å; F609-P611 WeakPolarHBondContact O-CD 3.36Å; F609-P632 HydrophobicContact CD1-CB 3.9Å; F609-P632 HydrophobicContact CE1-CB 4.31Å; F609-F633 VanDerWaalsContact CE1-O 3.3Å; F609-F633 WeakPolarHBondContact CE1-O 3.41Å; F609-L634 HydrophobicContact CB-CB 4.21Å; F609-L634 HydrophobicContact CB-CD1 3.99Å; F609-L634 HydrophobicContact CD1-CB 3.9Å; F609-L634 HydrophobicContact CD2-CD1 4.35Å; F609-L634 HydrophobicContact CG-CB 4.01Å; F609-L634 HydrophobicContact CG-CD1 4.17Å; F609-L634 HydrophobicContact CG-CG 4.3Å; F609-L638 HydrophobicContact CE2-CD2 3.76Å; F609-L638 HydrophobicContact CZ-CD2 4.25Å |
| 610 | F | 92.7 | Very high | 87.6 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 4% | 0.044 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -115 | 54.7 | 179.2 | -60.8 | -70.8 | 0 | 0 | 0 | 112.9 | F65 L583 M599 L606 A607 E608 L634 | F65-F610 HydrophobicContact CZ-CD1 4.24Å; L583-F610 WeakPolarHBondContact O-CE1 3.48Å; M599-F610 HydrophobicContact CB-CE2 4.49Å; M599-F610 HydrophobicContact CE-CD1 4.29Å; M599-F610 HydrophobicContact CE-CE1 3.9Å; M599-F610 HydrophobicContact CG-CE1 4.18Å; M599-F610 HydrophobicContact CG-CE2 4.21Å; M599-F610 HydrophobicContact CG-CZ 3.94Å; L606-F610 HydrophobicContact CB-CD2 4.23Å; L606-F610 HydrophobicContact CB-CE2 3.76Å; L606-F610 HydrophobicContact CD1-CE2 4.34Å; L606-F610 WeakPolarHBondContact O-CD2 3.49Å; A607-F610 PolarHBondContact O-N 3.02Å; E608-F610 VanDerWaalsContact C-N 3.32Å; E608-F610 PolarHBondContact O-N 3.28Å; F610-L634 HydrophobicContact CZ-CD1 4.47Å |
| 611 | P | 91.5 | Very high | 86.5 | Confident | 33 Ų | 33 | 67 Ų | 67 | 21% | 0.214 | 38% | 0.378 | C | S | . | . | trans | -62.2 | 140.4 | -178.8 | 29.3 | -36.4 | 0 | 0 | 0 | 111.4 | F65 F609 I631 | F65-P611 HydrophobicContact CE1-CG 4.22Å; F609-P611 WeakPolarHBondContact O-CD 3.36Å; P611-I631 HydrophobicContact CG-CG2 4.1Å | ||
| 612 | K | 84.7 | Confident | 85.3 | Confident | 146 Ų | 146 | 71.5 Ų | 71.5 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -81 | -29.7 | 177.4 | -66.8 | -176.8 | 179.1 | 179.1 | 0 | 112.6 | R72 | R72-K612 PolarHBondContact NH1-O 3.43Å; R72-K612 PolarHBondContact NH2-O 3.33Å |
| 613 | E | 86.5 | Confident | 84.1 | Confident | 169 Ų | 169 | 66.2 Ų | 66.2 | 79% | 0.79 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -130.7 | 138.4 | 178.5 | -68.1 | 171.8 | -169.9 | 0 | 0 | 106.8 | ||
| 614 | F | 90 | Very high | 83 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | trans | -150 | 156 | -175.8 | 54.5 | -97.8 | 0 | 0 | 0 | 109.1 | F65 L69 T616 V629 I631 | F65-F614 HydrophobicContact CB-CE1 3.95Å; F65-F614 HydrophobicContact CB-CZ 4.02Å; F65-F614 HydrophobicContact CD1-CD1 4.12Å; F65-F614 AromaticContact CD1-CE1 3.98Å; F65-F614 HydrophobicContact CD1-CE1 3.98Å; F65-F614 HydrophobicContact CG-CE1 4.49Å; L69-F614 HydrophobicContact CB-CE1 4.34Å; L69-F614 HydrophobicContact CB-CZ 3.94Å; L69-F614 HydrophobicContact CD2-CE1 4.29Å; L69-F614 HydrophobicContact CD2-CE2 3.91Å; L69-F614 HydrophobicContact CD2-CZ 3.64Å; L69-F614 HydrophobicContact CG-CZ 4.41Å; F614-T616 HydrophobicContact CD2-CG2 4.13Å; F614-T616 HydrophobicContact CE2-CG2 3.94Å; F614-V629 HydrophobicContact CD2-CG1 3.78Å; F614-V629 HydrophobicContact CE2-CG1 3.69Å; F614-V629 HydrophobicContact CZ-CG1 4.44Å; F614-I631 HydrophobicContact CB-CG2 3.75Å; F614-I631 HydrophobicContact CD1-CG2 4.17Å; F614-I631 HydrophobicContact CD2-CG2 4.32Å; F614-I631 HydrophobicContact CG-CG2 3.82Å | ||
| 615 | E | 87.7 | Confident | 81.9 | Confident | 146 Ų | 146 | 74 Ų | 74 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 153.8 | -179.5 | -66.4 | -176 | -175.2 | 0 | 0 | 111.9 | L630 | E615-L630 HydrophobicContact CB-CB 4.36Å; E615-L630 HydrophobicContact CB-CD1 4.15Å; E615-L630 PolarHBondContact O-N 2.86Å |
| 616 | T | 85.3 | Confident | 80.9 | Confident | 70 Ų | 70 | 73 Ų | 73 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.5 | 175 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | F614 V628 V629 | F614-T616 HydrophobicContact CD2-CG2 4.13Å; F614-T616 HydrophobicContact CE2-CG2 3.94Å; T616-V628 WeakPolarHBondContact CA-O 3.32Å; T616-V629 HydrophobicContact CG2-CG2 4.32Å |
| 617 | D | 85.6 | Confident | 80.3 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 17% | 0.171 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.2 | 178.7 | 175.7 | 28 | 0 | 0 | 0 | 110.9 | K485 Y536 N619 A627 V628 L630 | K485-D617 IonicContact NZ-OD1 3.4Å; K485-D617 PolarHBondContact NZ-OD1 2.79Å; K485-D617 IonicContact NZ-OD2 3.23Å; K485-D617 PolarHBondContact NZ-OD2 2.9Å; Y536-D617 WeakPolarHBondContact CE1-OD2 3.45Å; Y536-D617 PolarHBondContact OH-OD2 3.49Å; D617-N619 VanDerWaalsContact C-N 3.26Å; D617-N619 PolarHBondContact O-N 2.83Å; D617-N619 PolarHBondContact OD1-N 2.83Å; D617-N619 WeakPolarHBondContact OD2-CB 3.2Å; D617-A627 CarbonylContact O-C 3.58Å; D617-A627 VanDerWaalsContact O-CA 3.28Å; D617-A627 WeakPolarHBondContact O-CA 3.38Å; D617-A627 WeakPolarHBondContact O-CB 3.2Å; D617-V628 HydrophobicContact CB-CB 4.42Å; D617-V628 PolarHBondContact N-O 3.47Å; D617-V628 PolarHBondContact O-N 3.43Å; D617-L630 HydrophobicContact CB-CD1 4.5Å |
| 618 | I | 76.2 | Confident | 80 | Confident | 89 Ų | 89 | 73.4 Ų | 73.4 | 46% | 0.456 | 38% | 0.376 | S | S | . | . | trans | -70.9 | -23.5 | 179.5 | -62.6 | 176.5 | 0 | 0 | 0 | 111.4 | G620 K621 A627 | I618-G620 VanDerWaalsContact C-N 3.31Å; I618-G620 PolarHBondContact O-N 3.1Å; I618-G620 VanDerWaalsContact O-N 3.08Å; I618-K621 HydrophobicContact CG2-CB 4.22Å; I618-K621 WeakPolarHBondContact CG2-O 3.12Å; I618-K621 WeakPolarHBondContact O-CB 3.45Å; I618-K621 VanDerWaalsContact O-CG 3.29Å; I618-K621 WeakPolarHBondContact O-CG 3.25Å; I618-K621 PolarHBondContact O-N 3.33Å; I618-A627 HydrophobicContact CG1-CB 4.44Å | ||
| 619 | N | 76.7 | Confident | 79.8 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.7 | 50.2 | 172.8 | -162 | 26.3 | 0 | 0 | 0 | 115.2 | D617 K621 V628 | D617-N619 VanDerWaalsContact C-N 3.26Å; D617-N619 PolarHBondContact O-N 2.83Å; D617-N619 PolarHBondContact OD1-N 2.83Å; D617-N619 WeakPolarHBondContact OD2-CB 3.2Å; N619-K621 VanDerWaalsContact C-N 3.28Å; N619-K621 PolarHBondContact O-N 3.44Å; N619-V628 HydrophobicContact CB-CG2 4.06Å |
| 620 | G | 63.2 | Low | 79.7 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -5.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | I618 | I618-G620 VanDerWaalsContact C-N 3.31Å; I618-G620 PolarHBondContact O-N 3.1Å; I618-G620 VanDerWaalsContact O-N 3.08Å |
| 621 | K | 69.5 | Low | 79.7 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 19% | 0.191 | 36% | 0.362 | C | S | . | . | trans | -72.7 | 173 | 176.2 | -57.5 | -65.6 | -166.5 | 167.1 | 0 | 112.9 | H251 I618 N619 E626 | H251-K621 PolarHBondContact CD2-NZ 3.07Å; H251-K621 PolarHBondContact CE1-NZ 3.2Å; H251-K621 PolarHBondContact NE2-NZ 3.01Å; I618-K621 HydrophobicContact CG2-CB 4.22Å; I618-K621 WeakPolarHBondContact CG2-O 3.12Å; I618-K621 WeakPolarHBondContact O-CB 3.45Å; I618-K621 VanDerWaalsContact O-CG 3.29Å; I618-K621 WeakPolarHBondContact O-CG 3.25Å; I618-K621 PolarHBondContact O-N 3.33Å; N619-K621 VanDerWaalsContact C-N 3.28Å; N619-K621 PolarHBondContact O-N 3.44Å; K621-E626 HydrophobicContact CB-CB 3.64Å; K621-E626 HydrophobicContact CB-CG 4.44Å; K621-E626 HydrophobicContact CD-CB 4.09Å; K621-E626 HydrophobicContact CG-CB 3.74Å | ||
| 622 | I | 66.5 | Low | 79.7 | Confident | 128 Ų | 128 | 70.4 Ų | 70.4 | 66% | 0.656 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -107.4 | -33.6 | -173.9 | -59.5 | 178.9 | 0 | 0 | 0 | 111.7 | H258 E626 | H258-I622 HydrophobicContact CB-CD1 4.47Å; I622-E626 PolarHBondContact N-OE2 3.17Å |
| 623 | A | 66.3 | Low | 80.1 | Confident | 16 Ų | 16 | 66 Ų | 66 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -113.8 | 150.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W625 E626 | A623-W625 VanDerWaalsContact C-N 3.27Å; A623-W625 HydrophobicContact CB-CD2 3.62Å; A623-W625 HydrophobicContact CB-CE3 3.88Å; A623-W625 HydrophobicContact CB-CG 4.32Å; A623-W625 HydrophobicContact CB-CH2 3.61Å; A623-W625 HydrophobicContact CB-CZ2 3.32Å; A623-W625 HydrophobicContact CB-CZ3 3.87Å; A623-W625 PolarHBondContact O-N 2.87Å; A623-E626 HydrophobicContact CB-CG 4.21Å; A623-E626 PolarHBondContact N-OE2 3Å; A623-E626 WeakPolarHBondContact O-CB 3.48Å; A623-E626 PolarHBondContact O-N 2.88Å; A623-E626 VanDerWaalsContact O-N 3.08Å |
| 624 | S | 67 | Low | 80.3 | Confident | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -67.6 | -23.8 | -176.8 | 52.3 | 0 | 0 | 0 | 0 | 114 | E626 A627 | S624-E626 PolarHBondContact O-N 2.92Å; S624-A627 VanDerWaalsContact O-CB 3.29Å; S624-A627 WeakPolarHBondContact O-CB 3.42Å; S624-A627 PolarHBondContact O-N 3.27Å |
| 625 | W | 69.1 | Low | 80.3 | Confident | 208 Ų | 208 | 60.3 Ų | 60.3 | 79% | 0.788 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -77.6 | -8.6 | 174.4 | 62.1 | 75.4 | 0 | 0 | 0 | 113.4 | A623 | A623-W625 VanDerWaalsContact C-N 3.27Å; A623-W625 HydrophobicContact CB-CD2 3.62Å; A623-W625 HydrophobicContact CB-CE3 3.88Å; A623-W625 HydrophobicContact CB-CG 4.32Å; A623-W625 HydrophobicContact CB-CH2 3.61Å; A623-W625 HydrophobicContact CB-CZ2 3.32Å; A623-W625 HydrophobicContact CB-CZ3 3.87Å; A623-W625 PolarHBondContact O-N 2.87Å |
| 626 | E | 70.7 | Confident | 80.4 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -93 | -4.2 | 171.4 | -53.1 | 178.7 | 98.1 | 0 | 0 | 112.3 | K621 I622 A623 S624 | K621-E626 HydrophobicContact CB-CB 3.64Å; K621-E626 HydrophobicContact CB-CG 4.44Å; K621-E626 HydrophobicContact CD-CB 4.09Å; K621-E626 HydrophobicContact CG-CB 3.74Å; I622-E626 PolarHBondContact N-OE2 3.17Å; A623-E626 HydrophobicContact CB-CG 4.21Å; A623-E626 PolarHBondContact N-OE2 3Å; A623-E626 WeakPolarHBondContact O-CB 3.48Å; A623-E626 PolarHBondContact O-N 2.88Å; A623-E626 VanDerWaalsContact O-N 3.08Å; S624-E626 PolarHBondContact O-N 2.92Å |
| 627 | A | 79.5 | Confident | 80.7 | Confident | 13 Ų | 13 | 59 Ų | 59 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -70.1 | 143.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D617 I618 S624 V629 | D617-A627 CarbonylContact O-C 3.58Å; D617-A627 VanDerWaalsContact O-CA 3.28Å; D617-A627 WeakPolarHBondContact O-CA 3.38Å; D617-A627 WeakPolarHBondContact O-CB 3.2Å; I618-A627 HydrophobicContact CG1-CB 4.44Å; S624-A627 VanDerWaalsContact O-CB 3.29Å; S624-A627 WeakPolarHBondContact O-CB 3.42Å; S624-A627 PolarHBondContact O-N 3.27Å; A627-V629 PolarHBondContact O-N 2.96Å |
| 628 | V | 85.1 | Confident | 81.1 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116.2 | 174.4 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | H535 Y536 T616 D617 N619 L630 | H535-V628 HydrophobicContact CB-CG1 3.87Å; Y536-V628 HydrophobicContact CE1-CG1 4.35Å; Y536-V628 HydrophobicContact CE1-CG2 4.27Å; T616-V628 WeakPolarHBondContact CA-O 3.32Å; D617-V628 HydrophobicContact CB-CB 4.42Å; D617-V628 PolarHBondContact N-O 3.47Å; D617-V628 PolarHBondContact O-N 3.43Å; N619-V628 HydrophobicContact CB-CG2 4.06Å; V628-L630 HydrophobicContact CG1-CD2 3.81Å |
| 629 | V | 89.4 | Confident | 82 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 110.9 | 179 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | A62 Q66 F614 T616 A627 I631 | A62-V629 HydrophobicContact CB-CB 3.88Å; A62-V629 HydrophobicContact CB-CG1 4.4Å; A62-V629 HydrophobicContact CB-CG2 4.14Å; Q66-V629 HydrophobicContact CB-CG2 4.46Å; F614-V629 HydrophobicContact CD2-CG1 3.78Å; F614-V629 HydrophobicContact CE2-CG1 3.69Å; F614-V629 HydrophobicContact CZ-CG1 4.44Å; T616-V629 HydrophobicContact CG2-CG2 4.32Å; A627-V629 PolarHBondContact O-N 2.96Å; V629-I631 HydrophobicContact CG1-CD1 4.14Å; V629-I631 HydrophobicContact CG1-CG1 4.17Å; V629-I631 HydrophobicContact CG1-CG2 3.96Å; V629-I631 PolarHBondContact O-N 3.31Å; V629-I631 VanDerWaalsContact O-N 3.11Å |
| 630 | L | 91.1 | Very high | 82.8 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 82.9 | -173.2 | -59 | 179.4 | 0 | 0 | 0 | 110.8 | H535 Y536 E615 D617 V628 | H535-L630 HydrophobicContact CB-CD2 4Å; Y536-L630 HydrophobicContact CE2-CD2 4.17Å; E615-L630 HydrophobicContact CB-CB 4.36Å; E615-L630 HydrophobicContact CB-CD1 4.15Å; E615-L630 PolarHBondContact O-N 2.86Å; D617-L630 HydrophobicContact CB-CD1 4.5Å; V628-L630 HydrophobicContact CG1-CD2 3.81Å |
| 631 | I | 91.7 | Very high | 84.2 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | trans | -121.6 | 145.6 | 176.1 | 55.9 | 180 | 0 | 0 | 0 | 111.6 | R61 F65 H535 P611 F614 V629 | R61-I631 HydrophobicContact CB-CD1 4.5Å; R61-I631 HydrophobicContact CG-CD1 3.7Å; F65-I631 HydrophobicContact CB-CD1 4.31Å; F65-I631 HydrophobicContact CD1-CD1 4.43Å; F65-I631 HydrophobicContact CD1-CG2 4.15Å; F65-I631 HydrophobicContact CD2-CD1 4.06Å; F65-I631 HydrophobicContact CE2-CD1 4.5Å; F65-I631 HydrophobicContact CG-CD1 4.01Å; H535-I631 PolarHBondContact CE1-O 2.7Å; H535-I631 PolarHBondContact NE2-O 3.17Å; P611-I631 HydrophobicContact CG-CG2 4.1Å; F614-I631 HydrophobicContact CB-CG2 3.75Å; F614-I631 HydrophobicContact CD1-CG2 4.17Å; F614-I631 HydrophobicContact CD2-CG2 4.32Å; F614-I631 HydrophobicContact CG-CG2 3.82Å; V629-I631 HydrophobicContact CG1-CD1 4.14Å; V629-I631 HydrophobicContact CG1-CG1 4.17Å; V629-I631 HydrophobicContact CG1-CG2 3.96Å; V629-I631 PolarHBondContact O-N 3.31Å; V629-I631 VanDerWaalsContact O-N 3.11Å | ||
| 632 | P | 92.6 | Very high | 85.4 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | trans | -63 | 140.1 | -178.9 | -25.1 | 35.7 | 0 | 0 | 0 | 114 | F609 L634 | F609-P632 HydrophobicContact CD1-CB 3.9Å; F609-P632 HydrophobicContact CE1-CB 4.31Å; P632-L634 PolarHBondContact O-N 2.79Å | ||
| 633 | F | 92.2 | Very high | 86.8 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | trans | -73 | 115.9 | 173.8 | -60.5 | -74.1 | 0 | 0 | 0 | 110.5 | T58 F531 A533 H535 F609 | T58-F633 HydrophobicContact CG2-CD1 4.4Å; T58-F633 HydrophobicContact CG2-CE1 3.8Å; F531-F633 HydrophobicContact CE2-CB 4.29Å; F531-F633 AromaticContact CE2-CD1 3.93Å; F531-F633 HydrophobicContact CE2-CD1 3.93Å; F531-F633 HydrophobicContact CE2-CG 4.23Å; A533-F633 VanDerWaalsContact C-CE2 3.44Å; A533-F633 WeakPolarHBondContact O-CE2 3.36Å; H535-F633 AromaticContact CD2-CZ 3.89Å; H535-F633 AromaticContact CE1-CD2 3.97Å; H535-F633 AromaticContact CE1-CE2 3.24Å; H535-F633 WeakPolarHBondContact CE1-CE2 3.32Å; H535-F633 AromaticContact CE1-CZ 3.54Å; H535-F633 AromaticContact CG-CZ 3.93Å; H535-F633 AromaticContact ND1-CE2 3.51Å; H535-F633 AromaticContact ND1-CZ 3.73Å; H535-F633 AromaticContact NE2-CE2 3.78Å; H535-F633 AromaticContact NE2-CZ 3.63Å; F609-F633 VanDerWaalsContact CE1-O 3.3Å; F609-F633 WeakPolarHBondContact CE1-O 3.41Å | ||
| 634 | L | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | trans | -74.1 | 129.1 | -178 | 170.6 | 144.2 | 0 | 0 | 0 | 112.4 | R54 M581 F609 F610 P632 L639 | R54-L634 PolarHBondContact NH1-O 3.36Å; R54-L634 VanDerWaalsContact NH1-O 3.16Å; R54-L634 PolarHBondContact NH2-O 2.85Å; M581-L634 HydrophobicContact CG-CD2 3.85Å; F609-L634 HydrophobicContact CB-CB 4.21Å; F609-L634 HydrophobicContact CB-CD1 3.99Å; F609-L634 HydrophobicContact CD1-CB 3.9Å; F609-L634 HydrophobicContact CD2-CD1 4.35Å; F609-L634 HydrophobicContact CG-CB 4.01Å; F609-L634 HydrophobicContact CG-CD1 4.17Å; F609-L634 HydrophobicContact CG-CG 4.3Å; F610-L634 HydrophobicContact CZ-CD1 4.47Å; P632-L634 PolarHBondContact O-N 2.79Å; L634-L639 HydrophobicContact CD2-CB 3.93Å; L634-L639 HydrophobicContact CD2-CD2 3.73Å; L634-L639 HydrophobicContact CD2-CG 4.42Å | ||
| 635 | D | 89.8 | Confident | 89.1 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | trans | -69.4 | 125 | 172.2 | 177.9 | -24.3 | 0 | 0 | 0 | 110.9 | Q637 L638 L639 | D635-Q637 WeakPolarHBondContact OD1-CA 3.34Å; D635-Q637 PolarHBondContact OD1-N 3.15Å; D635-L638 HydrophobicContact CB-CB 3.76Å; D635-L638 HydrophobicContact CB-CD2 4.48Å; D635-L638 PolarHBondContact OD1-N 3.41Å; D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 PolarHBondContact O-N 2.95Å; D635-L639 VanDerWaalsContact O-N 3.08Å | ||
| 636 | Q | 90.6 | Very high | 90.1 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.9 | -36.7 | -178.5 | -178.6 | 164.4 | -52.7 | 0 | 0 | 113.4 | D529 M581 I640 | D529-Q636 PolarHBondContact OD1-NE2 3.23Å; M581-Q636 HydrophobicContact CE-CG 4.44Å; Q636-I640 HydrophobicContact CG-CD1 3.83Å; Q636-I640 WeakPolarHBondContact O-CB 3.5Å; Q636-I640 WeakPolarHBondContact O-CD1 3.31Å; Q636-I640 WeakPolarHBondContact O-CG1 3.28Å; Q636-I640 PolarHBondContact O-N 3.28Å |
| 637 | Q | 91.5 | Very high | 91.1 | Very high | 147 Ų | 147 | 48.7 Ų | 48.7 | 69% | 0.687 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -71.3 | -40.6 | 176.4 | -60 | -168.9 | 22.1 | 0 | 0 | 110.6 | D635 I640 N641 | D635-Q637 WeakPolarHBondContact OD1-CA 3.34Å; D635-Q637 PolarHBondContact OD1-N 3.15Å; Q637-I640 PolarHBondContact O-N 3.16Å; Q637-N641 VanDerWaalsContact O-CB 3.3Å; Q637-N641 WeakPolarHBondContact O-CB 3.41Å; Q637-N641 VanDerWaalsContact O-CG 3.25Å; Q637-N641 PolarHBondContact O-N 2.83Å; Q637-N641 PolarHBondContact O-ND2 3.34Å |
| 638 | L | 93.9 | Very high | 91.6 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 174.9 | -175.2 | 62.2 | 0 | 0 | 0 | 111.4 | L606 F609 D635 N641 A642 | L606-L638 HydrophobicContact CD2-CD2 4.07Å; L606-L638 HydrophobicContact CD2-CG 3.84Å; F609-L638 HydrophobicContact CE2-CD2 3.76Å; F609-L638 HydrophobicContact CZ-CD2 4.25Å; D635-L638 HydrophobicContact CB-CB 3.76Å; D635-L638 HydrophobicContact CB-CD2 4.48Å; D635-L638 PolarHBondContact OD1-N 3.41Å; L638-N641 PolarHBondContact O-N 3.44Å; L638-A642 WeakPolarHBondContact O-CB 3.45Å; L638-A642 PolarHBondContact O-N 2.85Å |
| 639 | L | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -52.7 | 173.7 | 169.5 | 62.4 | 0 | 0 | 0 | 112.2 | V577 L580 M581 L606 L634 D635 N641 A642 M643 | V577-L639 HydrophobicContact CG1-CD2 3.75Å; V577-L639 HydrophobicContact CG1-CG 4.37Å; L580-L639 HydrophobicContact CB-CD1 3.66Å; L580-L639 HydrophobicContact CB-CD2 4.05Å; L580-L639 HydrophobicContact CD1-CD1 3.85Å; L580-L639 HydrophobicContact CG-CD1 4.35Å; M581-L639 HydrophobicContact CG-CD2 3.5Å; M581-L639 HydrophobicContact SD-CD2 4.28Å; L606-L639 HydrophobicContact CD1-CB 4.49Å; L606-L639 HydrophobicContact CD1-CD1 3.59Å; L634-L639 HydrophobicContact CD2-CB 3.93Å; L634-L639 HydrophobicContact CD2-CD2 3.73Å; L634-L639 HydrophobicContact CD2-CG 4.42Å; D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 PolarHBondContact O-N 2.95Å; D635-L639 VanDerWaalsContact O-N 3.08Å; L639-N641 PolarHBondContact O-N 3.17Å; L639-A642 PolarHBondContact O-N 3.12Å; L639-M643 HydrophobicContact CD1-CG 3.81Å; L639-M643 HydrophobicContact CD1-SD 3.78Å; L639-M643 HydrophobicContact CD2-SD 4.49Å; L639-M643 HydrophobicContact CG-CG 4.37Å; L639-M643 HydrophobicContact CG-SD 3.92Å; L639-M643 WeakPolarHBondContact O-CG 3.25Å; L639-M643 PolarHBondContact O-N 3.27Å |
| 640 | I | 93.4 | Very high | 92.3 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -33.8 | -179.2 | -69.7 | 166.9 | 0 | 0 | 0 | 111 | V577 Q636 Q637 | V577-I640 HydrophobicContact CG1-CG1 4.16Å; Q636-I640 HydrophobicContact CG-CD1 3.83Å; Q636-I640 WeakPolarHBondContact O-CB 3.5Å; Q636-I640 WeakPolarHBondContact O-CD1 3.31Å; Q636-I640 WeakPolarHBondContact O-CG1 3.28Å; Q636-I640 PolarHBondContact O-N 3.28Å; Q637-I640 PolarHBondContact O-N 3.16Å |
| 641 | N | 94.3 | Very high | 92.5 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 172.6 | -76.8 | -43.4 | 0 | 0 | 0 | 112.6 | Q637 L638 L639 K644 | Q637-N641 VanDerWaalsContact O-CB 3.3Å; Q637-N641 WeakPolarHBondContact O-CB 3.41Å; Q637-N641 VanDerWaalsContact O-CG 3.25Å; Q637-N641 PolarHBondContact O-N 2.83Å; Q637-N641 PolarHBondContact O-ND2 3.34Å; L638-N641 PolarHBondContact O-N 3.44Å; L639-N641 PolarHBondContact O-N 3.17Å; N641-K644 PolarHBondContact OD1-NZ 3.13Å |
| 642 | A | 94.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.8 | -28.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L598 P605 L606 L638 L639 | L598-A642 HydrophobicContact CD1-CB 4.43Å; L598-A642 HydrophobicContact CD2-CB 4.21Å; P605-A642 HydrophobicContact CG-CB 3.86Å; L606-A642 HydrophobicContact CD1-CB 4.14Å; L606-A642 HydrophobicContact CG-CB 4.24Å; L638-A642 WeakPolarHBondContact O-CB 3.45Å; L638-A642 PolarHBondContact O-N 2.85Å; L639-A642 PolarHBondContact O-N 3.12Å |
| 643 | M | 94.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.8 | -26.3 | 179.8 | -74.6 | 179.1 | 72.3 | 0 | 0 | 114.2 | F576 V577 L580 Y595 L598 L639 D645 G646 D647 | F576-M643 HydrophobicContact CB-CE 4.11Å; V577-M643 HydrophobicContact CB-SD 4.28Å; V577-M643 HydrophobicContact CG1-SD 4.29Å; V577-M643 HydrophobicContact CG2-CE 3.91Å; V577-M643 HydrophobicContact CG2-SD 3.89Å; L580-M643 HydrophobicContact CD1-CE 3.93Å; L580-M643 HydrophobicContact CD1-CG 3.8Å; L580-M643 HydrophobicContact CD1-SD 3.72Å; Y595-M643 HydrophobicContact CD1-CG 4.37Å; Y595-M643 HydrophobicContact CE1-CB 4.08Å; Y595-M643 HydrophobicContact CE1-CE 3.87Å; Y595-M643 HydrophobicContact CE1-CG 4.09Å; Y595-M643 HydrophobicContact CE2-CE 4.2Å; L598-M643 HydrophobicContact CD1-CG 4.5Å; L639-M643 HydrophobicContact CD1-CG 3.81Å; L639-M643 HydrophobicContact CD1-SD 3.78Å; L639-M643 HydrophobicContact CD2-SD 4.49Å; L639-M643 HydrophobicContact CG-CG 4.37Å; L639-M643 HydrophobicContact CG-SD 3.92Å; L639-M643 WeakPolarHBondContact O-CG 3.25Å; L639-M643 PolarHBondContact O-N 3.27Å; M643-D645 VanDerWaalsContact C-N 3.28Å; M643-D645 PolarHBondContact O-N 2.93Å; M643-D645 VanDerWaalsContact O-N 3.12Å; M643-G646 CarbonylContact O-C 3.44Å; M643-G646 WeakPolarHBondContact O-CA 3.36Å; M643-G646 PolarHBondContact O-N 2.87Å; M643-D647 VanDerWaalsContact O-CG 3.26Å; M643-D647 PolarHBondContact O-N 3.15Å |
| 644 | K | 93 | Very high | 92.7 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 47% | 0.47 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -50.5 | -42.4 | -172.5 | -73.4 | 167.3 | -179.1 | 174 | 0 | 114.2 | N641 G646 D647 | N641-K644 PolarHBondContact OD1-NZ 3.13Å; K644-G646 VanDerWaalsContact C-N 3.3Å; K644-G646 PolarHBondContact O-N 3.23Å; K644-D647 PolarHBondContact O-N 3.47Å |
| 645 | D | 89.6 | Confident | 92.9 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.1 | -23.5 | 178.8 | -78 | 1.4 | 0 | 0 | 0 | 113.1 | M643 T648 K649 | M643-D645 VanDerWaalsContact C-N 3.28Å; M643-D645 PolarHBondContact O-N 2.93Å; M643-D645 VanDerWaalsContact O-N 3.12Å; D645-T648 PolarHBondContact O-OG1 2.91Å; D645-K649 VanDerWaalsContact O-CD 3.27Å; D645-K649 WeakPolarHBondContact O-CD 3.26Å; D645-K649 WeakPolarHBondContact O-CE 3.43Å; D645-K649 PolarHBondContact O-NZ 3.06Å |
| 646 | G | 89.7 | Confident | 93 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -82.3 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M643 K644 T648 K649 L650 | M643-G646 CarbonylContact O-C 3.44Å; M643-G646 WeakPolarHBondContact O-CA 3.36Å; M643-G646 PolarHBondContact O-N 2.87Å; K644-G646 VanDerWaalsContact C-N 3.3Å; K644-G646 PolarHBondContact O-N 3.23Å; G646-T648 VanDerWaalsContact C-N 3.26Å; G646-T648 PolarHBondContact O-N 2.96Å; G646-K649 WeakPolarHBondContact O-CA 3.28Å; G646-K649 WeakPolarHBondContact O-CB 3.39Å; G646-K649 PolarHBondContact O-N 2.76Å; G646-L650 PolarHBondContact O-N 3.37Å |
| 647 | D | 91.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -38.1 | -178.9 | -62.1 | -22.4 | 0 | 0 | 0 | 112.3 | Y595 M643 K644 K649 L650 | Y595-D647 PolarHBondContact OH-OD1 2.62Å; M643-D647 VanDerWaalsContact O-CG 3.26Å; M643-D647 PolarHBondContact O-N 3.15Å; K644-D647 PolarHBondContact O-N 3.47Å; D647-K649 PolarHBondContact O-N 3.32Å; D647-L650 PolarHBondContact O-N 3.15Å |
| 648 | T | 91.2 | Very high | 93.4 | Very high | 115 Ų | 115 | 67.2 Ų | 67.2 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.9 | 175.6 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | D645 G646 | D645-T648 PolarHBondContact O-OG1 2.91Å; G646-T648 VanDerWaalsContact C-N 3.26Å; G646-T648 PolarHBondContact O-N 2.96Å |
| 649 | K | 93.9 | Very high | 93.5 | Very high | 131 Ų | 131 | 69.3 Ų | 69.3 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.8 | -175.1 | -59.2 | 166 | -172.4 | 142.9 | 0 | 113.1 | P594 D645 G646 D647 | P594-K649 HydrophobicContact CB-CB 3.96Å; P594-K649 HydrophobicContact CB-CD 4.42Å; P594-K649 HydrophobicContact CG-CB 3.77Å; D645-K649 VanDerWaalsContact O-CD 3.27Å; D645-K649 WeakPolarHBondContact O-CD 3.26Å; D645-K649 WeakPolarHBondContact O-CE 3.43Å; D645-K649 PolarHBondContact O-NZ 3.06Å; G646-K649 WeakPolarHBondContact O-CA 3.28Å; G646-K649 WeakPolarHBondContact O-CB 3.39Å; G646-K649 PolarHBondContact O-N 2.76Å; D647-K649 PolarHBondContact O-N 3.32Å |
| 650 | L | 94 | Very high | 93.6 | Very high | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | trans | -63 | 139.7 | 177.9 | -66 | 178.7 | 0 | 0 | 0 | 111.9 | F576 P592 P594 Y595 G646 D647 E654 K655 | F576-L650 HydrophobicContact CD2-CD1 4.2Å; F576-L650 HydrophobicContact CD2-CD2 4.36Å; F576-L650 HydrophobicContact CE2-CD1 4.06Å; F576-L650 HydrophobicContact CE2-CD2 4.06Å; P592-L650 HydrophobicContact CB-CD2 3.71Å; P592-L650 HydrophobicContact CG-CD2 4.1Å; P594-L650 HydrophobicContact CG-CD2 4.44Å; Y595-L650 HydrophobicContact CE2-CD2 3.97Å; G646-L650 PolarHBondContact O-N 3.37Å; D647-L650 PolarHBondContact O-N 3.15Å; L650-E654 HydrophobicContact CB-CB 4.21Å; L650-E654 HydrophobicContact CD2-CB 4.12Å; L650-K655 HydrophobicContact CB-CG 3.98Å; L650-K655 HydrophobicContact CD1-CG 4.43Å; L650-K655 VanDerWaalsContact O-CE 3.26Å; L650-K655 WeakPolarHBondContact O-CE 3.46Å | ||
| 651 | T | 94.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | trans | -69.7 | 159.2 | 168 | 65 | 0 | 0 | 0 | 0 | 111.3 | Q653 E654 K655 | T651-Q653 PolarHBondContact O-N 2.99Å; T651-E654 VanDerWaalsContact CB-OE2 3.31Å; T651-E654 WeakPolarHBondContact CB-OE2 3.36Å; T651-E654 WeakPolarHBondContact CG2-OE2 3.39Å; T651-E654 PolarHBondContact N-OE2 3.23Å; T651-E654 WeakPolarHBondContact O-CB 3.19Å; T651-E654 PolarHBondContact O-N 2.69Å; T651-E654 VanDerWaalsContact OG1-CD 3.27Å; T651-E654 WeakPolarHBondContact OG1-CG 3.1Å; T651-E654 PolarHBondContact OG1-N 3.41Å; T651-E654 PolarHBondContact OG1-OE2 3.44Å; T651-K655 WeakPolarHBondContact O-CG 3.48Å; T651-K655 PolarHBondContact O-N 2.73Å | ||
| 652 | E | 93.7 | Very high | 93.6 | Very high | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.7 | -29.6 | -179.4 | -136.1 | 61.2 | -156.9 | 0 | 0 | 113.1 | K655 Q656 | E652-K655 PolarHBondContact O-N 2.91Å; E652-K655 IonicContact OE1-NZ 3.33Å; E652-K655 IonicContact OE2-NZ 3.06Å; E652-K655 PolarHBondContact OE2-NZ 3.26Å; E652-Q656 WeakPolarHBondContact O-CG 3.27Å; E652-Q656 PolarHBondContact O-N 2.88Å |
| 653 | Q | 92.9 | Very high | 93.6 | Very high | 156 Ų | 156 | 67.3 Ų | 67.3 | 73% | 0.729 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.1 | -35.8 | 173.6 | -65.5 | -177.1 | -0.7 | 0 | 0 | 112 | T651 R657 | T651-Q653 PolarHBondContact O-N 2.99Å; Q653-R657 VanDerWaalsContact O-CB 3.32Å; Q653-R657 WeakPolarHBondContact O-CB 3.41Å; Q653-R657 PolarHBondContact O-N 2.67Å; Q653-R657 VanDerWaalsContact O-N 3.09Å |
| 654 | E | 95.4 | Very high | 93.7 | Very high | 24 Ų | 24 | 68.2 Ų | 68.2 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 173.4 | -73.2 | 162.2 | 137.8 | 0 | 0 | 111.3 | F576 P592 L650 T651 Q656 R657 N658 | F576-E654 HydrophobicContact CE2-CB 3.94Å; F576-E654 WeakPolarHBondContact CE2-O 3.36Å; F576-E654 HydrophobicContact CZ-CB 3.97Å; F576-E654 HydrophobicContact CZ-CG 4.38Å; F576-E654 VanDerWaalsContact CZ-O 3.3Å; F576-E654 WeakPolarHBondContact CZ-O 3.41Å; P592-E654 VanDerWaalsContact CB-OE1 3.3Å; P592-E654 WeakPolarHBondContact CB-OE1 3.3Å; P592-E654 HydrophobicContact CG-CG 4.37Å; L650-E654 HydrophobicContact CB-CB 4.21Å; L650-E654 HydrophobicContact CD2-CB 4.12Å; T651-E654 VanDerWaalsContact CB-OE2 3.31Å; T651-E654 WeakPolarHBondContact CB-OE2 3.36Å; T651-E654 WeakPolarHBondContact CG2-OE2 3.39Å; T651-E654 PolarHBondContact N-OE2 3.23Å; T651-E654 WeakPolarHBondContact O-CB 3.19Å; T651-E654 PolarHBondContact O-N 2.69Å; T651-E654 VanDerWaalsContact OG1-CD 3.27Å; T651-E654 WeakPolarHBondContact OG1-CG 3.1Å; T651-E654 PolarHBondContact OG1-N 3.41Å; T651-E654 PolarHBondContact OG1-OE2 3.44Å; E654-Q656 VanDerWaalsContact C-N 3.33Å; E654-Q656 PolarHBondContact O-N 2.96Å; E654-R657 CarbonylContact O-C 3.56Å; E654-R657 PolarHBondContact O-N 3.01Å; E654-R657 VanDerWaalsContact O-N 3.13Å; E654-N658 WeakPolarHBondContact O-CB 3.29Å; E654-N658 PolarHBondContact O-N 2.75Å |
| 655 | K | 94.4 | Very high | 93.8 | Very high | 76 Ų | 76 | 64.3 Ų | 64.3 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.6 | -65.1 | 175.8 | -162.8 | 160.7 | 0 | 112.6 | L650 T651 E652 R657 N658 Q659 | L650-K655 HydrophobicContact CB-CG 3.98Å; L650-K655 HydrophobicContact CD1-CG 4.43Å; L650-K655 VanDerWaalsContact O-CE 3.26Å; L650-K655 WeakPolarHBondContact O-CE 3.46Å; T651-K655 WeakPolarHBondContact O-CG 3.48Å; T651-K655 PolarHBondContact O-N 2.73Å; E652-K655 PolarHBondContact O-N 2.91Å; E652-K655 IonicContact OE1-NZ 3.33Å; E652-K655 IonicContact OE2-NZ 3.06Å; E652-K655 PolarHBondContact OE2-NZ 3.26Å; K655-R657 VanDerWaalsContact C-N 3.33Å; K655-N658 PolarHBondContact O-N 3.12Å; K655-Q659 WeakPolarHBondContact O-CG 3.36Å; K655-Q659 PolarHBondContact O-NE2 3.03Å |
| 656 | Q | 93.1 | Very high | 94 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.2 | -29.5 | 174.7 | -74.3 | 175.2 | -3.4 | 0 | 0 | 113.1 | E652 E654 | E652-Q656 WeakPolarHBondContact O-CG 3.27Å; E652-Q656 PolarHBondContact O-N 2.88Å; E654-Q656 VanDerWaalsContact C-N 3.33Å; E654-Q656 PolarHBondContact O-N 2.96Å |
| 657 | R | 94.5 | Very high | 94 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.6 | -20.6 | 176.9 | -179 | 162 | 54.6 | 112.7 | -13.7 | 113 | G96 F576 Q653 E654 K655 Q659 | G96-R657 WeakPolarHBondContact O-CD 3.3Å; G96-R657 WeakPolarHBondContact O-CG 3.5Å; G96-R657 PolarHBondContact O-NH1 3.06Å; F576-R657 HydrophobicContact CE1-CG 4.16Å; F576-R657 HydrophobicContact CZ-CB 4.32Å; F576-R657 HydrophobicContact CZ-CG 4.34Å; Q653-R657 VanDerWaalsContact O-CB 3.32Å; Q653-R657 WeakPolarHBondContact O-CB 3.41Å; Q653-R657 PolarHBondContact O-N 2.67Å; Q653-R657 VanDerWaalsContact O-N 3.09Å; E654-R657 CarbonylContact O-C 3.56Å; E654-R657 PolarHBondContact O-N 3.01Å; E654-R657 VanDerWaalsContact O-N 3.13Å; K655-R657 VanDerWaalsContact C-N 3.33Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.39Å |
| 658 | N | 96.2 | Very high | 93.7 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.2 | 36.5 | 177.4 | -157.3 | 30 | 0 | 0 | 0 | 113.4 | L574 P575 F576 E654 K655 | L574-N658 WeakPolarHBondContact CB-OD1 3.36Å; P575-N658 WeakPolarHBondContact CD-OD1 3.37Å; F576-N658 WeakPolarHBondContact CB-OD1 3.15Å; F576-N658 HydrophobicContact CD1-CB 4.49Å; F576-N658 HydrophobicContact CD2-CB 3.6Å; F576-N658 WeakPolarHBondContact CD2-ND2 3.19Å; F576-N658 HydrophobicContact CE1-CB 4.42Å; F576-N658 HydrophobicContact CE2-CB 3.53Å; F576-N658 HydrophobicContact CG-CB 4.09Å; F576-N658 WeakPolarHBondContact CG-OD1 3.31Å; F576-N658 HydrophobicContact CZ-CB 3.97Å; F576-N658 PolarHBondContact N-OD1 2.85Å; E654-N658 WeakPolarHBondContact O-CB 3.29Å; E654-N658 PolarHBondContact O-N 2.75Å; K655-N658 PolarHBondContact O-N 3.12Å |
| 659 | Q | 95 | Very high | 93 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -134.6 | 148.1 | -178 | -71.3 | 173.7 | 41.8 | 0 | 0 | 110.6 | K655 R657 | K655-Q659 WeakPolarHBondContact O-CG 3.36Å; K655-Q659 PolarHBondContact O-NE2 3.03Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.39Å |
| 660 | H | 95.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 57 Ų | 57 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | trans | -79.7 | 138.1 | 171.7 | -57.8 | -33.4 | 0 | 0 | 0 | 109.8 | V51 D132 P134 P572 V573 | V51-H660 WeakPolarHBondContact CG2-CE1 3.43Å; D132-H660 CarbonylContact O-C 3.52Å; D132-H660 WeakPolarHBondContact O-CA 3.28Å; P134-H660 HydrophobicContact CG-CB 4.09Å; P572-H660 WeakPolarHBondContact CB-NE2 3.49Å; P572-H660 WeakPolarHBondContact CG-NE2 3.42Å; P572-H660 PolarHBondContact O-NE2 2.87Å; V573-H660 VanDerWaalsContact C-CE1 3.43Å; V573-H660 VanDerWaalsContact C-NE2 3.34Å; V573-H660 PolarHBondContact O-CE1 3.32Å; V573-H660 PolarHBondContact O-NE2 3.32Å | ||
| 661 | K | 93.9 | Very high | 90.2 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | trans | -127.6 | 158.5 | -175.3 | -49.8 | -178.7 | -154.9 | 157.4 | 0 | 111.4 | E101 D132 C133 H683 | E101-K661 IonicContact OE1-NZ 2.64Å; E101-K661 PolarHBondContact OE1-NZ 3.25Å; E101-K661 IonicContact OE2-NZ 3.96Å; E101-K661 PolarHBondContact OE2-NZ 3.49Å; D132-K661 HydrophobicContact CB-CB 4.01Å; D132-K661 HydrophobicContact CB-CD 3.97Å; D132-K661 HydrophobicContact CB-CG 4Å; D132-K661 PolarHBondContact O-N 3.14Å; D132-K661 WeakPolarHBondContact OD2-CB 3.44Å; D132-K661 WeakPolarHBondContact OD2-CD 3.31Å; C133-K661 PolarHBondContact SG-O 2.86Å; K661-H683 WeakPolarHBondContact O-CB 3.45Å | ||
| 662 | S | 94 | Very high | 88.4 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | trans | -63.9 | 151.5 | -178 | -62.4 | 0 | 0 | 0 | 0 | 114.8 | I681 | S662-I681 CarbonylContact C-O 3.53Å; S662-I681 VanDerWaalsContact CA-O 3.25Å; S662-I681 WeakPolarHBondContact CA-O 3.3Å; S662-I681 WeakPolarHBondContact CB-O 3.49Å | ||
| 663 | H | 95.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 144.6 | 160.3 | -44.8 | -87.3 | 0 | 0 | 0 | 109.6 | S129 C133 I681 N682 Y686 | S129-H663 WeakPolarHBondContact CA-CE1 3.34Å; S129-H663 WeakPolarHBondContact CB-CE1 3.39Å; S129-H663 WeakPolarHBondContact CB-ND1 3.1Å; S129-H663 PolarHBondContact OG-CE1 3.33Å; S129-H663 PolarHBondContact OG-ND1 2.87Å; S129-H663 PolarHBondContact OG-NE2 3.32Å; C133-H663 VanDerWaalsContact SG-CE1 3.59Å; H663-I681 HydrophobicContact CB-CB 4.35Å; H663-I681 PolarHBondContact CD2-O 2.75Å; H663-I681 PolarHBondContact N-O 2.94Å; H663-I681 PolarHBondContact O-N 3.34Å; H663-N682 PolarHBondContact CD2-O 3.1Å; H663-Y686 HydrophobicContact CB-CE2 4.44Å; H663-Y686 AromaticContact CD2-CD2 3.87Å; H663-Y686 AromaticContact CD2-CE2 3.71Å; H663-Y686 AromaticContact CG-CE2 3.92Å |
| 664 | L | 96.5 | Very high | 85.4 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.2 | 178.3 | -53.7 | 178.7 | 0 | 0 | 0 | 109.5 | V108 I127 L128 Y666 V678 L680 | V108-L664 HydrophobicContact CG1-CD1 4.46Å; V108-L664 HydrophobicContact CG2-CD1 3.53Å; I127-L664 WeakPolarHBondContact CA-O 3.41Å; L128-L664 HydrophobicContact CB-CB 4.36Å; L128-L664 HydrophobicContact CD2-CD1 4.36Å; L128-L664 PolarHBondContact N-O 2.87Å; L128-L664 PolarHBondContact O-N 2.96Å; L664-Y666 HydrophobicContact CB-CE2 3.84Å; L664-V678 HydrophobicContact CB-CG1 4.49Å; L664-L680 HydrophobicContact CD2-CD2 3.33Å |
| 665 | F | 95.5 | Very high | 84.2 | Confident | 27 Ų | 27 | 66 Ų | 66 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.6 | 178.8 | 177.7 | -150 | 0 | 0 | 0 | 110.9 | D125 I127 R667 V678 E679 I681 | D125-F665 HydrophobicContact CB-CE2 3.72Å; D125-F665 HydrophobicContact CB-CZ 4.33Å; I127-F665 HydrophobicContact CD1-CD2 4.32Å; I127-F665 HydrophobicContact CG1-CB 4.5Å; I127-F665 HydrophobicContact CG1-CD2 3.61Å; I127-F665 HydrophobicContact CG1-CE2 4.19Å; I127-F665 HydrophobicContact CG1-CG 4.29Å; F665-R667 HydrophobicContact CD1-CG 4.14Å; F665-R667 HydrophobicContact CE1-CG 3.62Å; F665-R667 HydrophobicContact CE2-CG 4.03Å; F665-R667 HydrophobicContact CZ-CG 3.57Å; F665-V678 CarbonylContact O-C 3.54Å; F665-V678 WeakPolarHBondContact O-CA 3.24Å; F665-E679 HydrophobicContact CB-CB 4.33Å; F665-E679 HydrophobicContact CD1-CB 4.37Å; F665-E679 PolarHBondContact N-O 2.95Å; F665-E679 PolarHBondContact O-N 3.05Å; F665-I681 HydrophobicContact CB-CD1 3.76Å; F665-I681 HydrophobicContact CB-CG1 4.28Å; F665-I681 HydrophobicContact CD1-CD1 3.74Å; F665-I681 HydrophobicContact CG-CD1 4.08Å |
| 666 | Y | 93.7 | Very high | 83.1 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.9 | 173.4 | -56.5 | -96.2 | 0 | 0 | 0 | 108.2 | V111 E112 V115 V126 L664 V678 | V111-Y666 HydrophobicContact CB-CE2 4.46Å; V111-Y666 HydrophobicContact CG1-CD2 3.74Å; V111-Y666 HydrophobicContact CG1-CE1 4.45Å; V111-Y666 HydrophobicContact CG1-CE2 3.59Å; V111-Y666 HydrophobicContact CG1-CG 4.25Å; E112-Y666 HydrophobicContact CG-CE1 3.81Å; V115-Y666 HydrophobicContact CG2-CG 4.48Å; V126-Y666 PolarHBondContact N-O 3.17Å; V126-Y666 PolarHBondContact O-N 3.29Å; L664-Y666 HydrophobicContact CB-CE2 3.84Å; Y666-V678 HydrophobicContact CD1-CB 4.37Å; Y666-V678 HydrophobicContact CD1-CG1 4.12Å; Y666-V678 HydrophobicContact CD1-CG2 3.63Å; Y666-V678 HydrophobicContact CE1-CB 4.24Å; Y666-V678 HydrophobicContact CE1-CG1 3.79Å; Y666-V678 HydrophobicContact CE1-CG2 3.43Å; Y666-V678 VanDerWaalsContact CE1-CG2 3.43Å; Y666-V678 HydrophobicContact CE2-CG1 4.42Å |
| 667 | R | 89.6 | Confident | 82.3 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 44% | 0.438 | 32% | 0.315 | S | S | . | . | trans | -77.7 | 146 | -177.7 | -71.9 | -172.1 | -178.8 | -162.4 | 7.8 | 112.4 | D125 F665 C669 S676 P677 E679 | D125-R667 WeakPolarHBondContact OD1-CA 3.4Å; F665-R667 HydrophobicContact CD1-CG 4.14Å; F665-R667 HydrophobicContact CE1-CG 3.62Å; F665-R667 HydrophobicContact CE2-CG 4.03Å; F665-R667 HydrophobicContact CZ-CG 3.57Å; R667-C669 PolarHBondContact O-N 3.33Å; R667-S676 PolarHBondContact O-OG 3.03Å; R667-P677 HydrophobicContact CB-CG 4.43Å; R667-P677 PolarHBondContact N-O 2.79Å; R667-E679 VanDerWaalsContact CZ-CD 3.48Å; R667-E679 IonicContact CZ-OE1 3.17Å; R667-E679 IonicContact CZ-OE2 2.78Å; R667-E679 IonicContact NE-OE1 3.19Å; R667-E679 PolarHBondContact NE-OE1 3.18Å; R667-E679 VanDerWaalsContact NE-OE1 3.12Å; R667-E679 IonicContact NE-OE2 3.92Å; R667-E679 PolarHBondContact NE-OE2 3.42Å; R667-E679 IonicContact NH1-OE1 3.57Å; R667-E679 IonicContact NH2-OE1 2.71Å; R667-E679 PolarHBondContact NH2-OE1 3.38Å; R667-E679 IonicContact NH2-OE2 3.88Å; R667-E679 PolarHBondContact NH2-OE2 3.44Å | ||
| 668 | A | 84.9 | Confident | 82 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | trans | -51.9 | 134.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q122 I124 D125 | Q122-A668 WeakPolarHBondContact O-CA 3.32Å; I124-A668 WeakPolarHBondContact O-CA 3.28Å; I124-A668 PolarHBondContact O-N 3.4Å; D125-A668 PolarHBondContact OD1-N 2.97Å | ||
| 669 | C | 76.8 | Confident | 81.7 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | trans | -128.7 | 143.1 | -179.6 | -80.8 | 0 | 0 | 0 | 0 | 111.6 | Q122 R667 I671 P677 | Q122-C669 PolarHBondContact O-N 2.85Å; Q122-C669 VanDerWaalsContact O-O 3.13Å; R667-C669 PolarHBondContact O-N 3.33Å; C669-I671 PolarHBondContact O-N 3.1Å; C669-P677 WeakPolarHBondContact SG-CD 3.49Å | ||
| 670 | P | 66.2 | Low | 81.7 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | trans | -57.5 | 137.1 | 165.5 | -23.1 | 34.2 | 0 | 0 | 0 | 111 | G672 | P670-G672 PolarHBondContact O-N 3.4Š| ||
| 671 | I | 63.3 | Low | 81.5 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 59% | 0.59 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 134.3 | -177.8 | -59.7 | 171.1 | 0 | 0 | 0 | 110.2 | A119 C669 | A119-I671 HydrophobicContact CB-CD1 4.49Å; C669-I671 PolarHBondContact O-N 3.1Å |
| 672 | G | 56.6 | Low | 81.4 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | 1.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | P670 | P670-G672 PolarHBondContact O-N 3.4Š|
| 673 | R | 60.7 | Low | 81.3 | Confident | 159 Ų | 159 | 63.9 Ų | 63.9 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | trans | -78.8 | 136.6 | 165.5 | -78 | -172.1 | 169 | -167.6 | -2.8 | 111.1 | K675 | R673-K675 PolarHBondContact O-N 2.89Š| ||
| 674 | V | 61.4 | Low | 81 | Confident | 141 Ų | 141 | 65 Ų | 65 | 86% | 0.855 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -71.6 | -27.9 | -173.6 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 675 | K | 71 | Confident | 80.8 | Confident | 116 Ų | 116 | 67.4 Ų | 67.4 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -146.3 | 135.6 | 171.2 | -158.8 | 176.2 | -179.5 | 176.5 | 0 | 110.9 | E112 N116 R673 | E112-K675 VanDerWaalsContact OE1-CE 3.32Å; E112-K675 WeakPolarHBondContact OE1-CE 3.21Å; E112-K675 IonicContact OE1-NZ 2.64Å; E112-K675 PolarHBondContact OE1-NZ 2.97Å; E112-K675 IonicContact OE2-NZ 2.65Å; N116-K675 VanDerWaalsContact OD1-CA 3.27Å; N116-K675 WeakPolarHBondContact OD1-CA 3.34Å; N116-K675 WeakPolarHBondContact OD1-CG 3.49Å; R673-K675 PolarHBondContact O-N 2.89Å |
| 676 | S | 71.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 5% | 0.049 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 140.6 | 168.2 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V115 N116 R667 | V115-S676 VanDerWaalsContact CG1-CB 3.49Å; N116-S676 PolarHBondContact OD1-N 2.85Å; R667-S676 PolarHBondContact O-OG 3.03Å |
| 677 | P | 76.3 | Confident | 80.2 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 132.5 | 174 | 31 | -33.1 | 0 | 0 | 0 | 110.5 | R667 C669 | R667-P677 HydrophobicContact CB-CG 4.43Å; R667-P677 PolarHBondContact N-O 2.79Å; C669-P677 WeakPolarHBondContact SG-CD 3.49Å |
| 678 | V | 87.1 | Confident | 80 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.1 | 175.7 | -163.8 | 0 | 0 | 0 | 0 | 108.7 | L664 F665 Y666 | L664-V678 HydrophobicContact CB-CG1 4.49Å; F665-V678 CarbonylContact O-C 3.54Å; F665-V678 WeakPolarHBondContact O-CA 3.24Å; Y666-V678 HydrophobicContact CD1-CB 4.37Å; Y666-V678 HydrophobicContact CD1-CG1 4.12Å; Y666-V678 HydrophobicContact CD1-CG2 3.63Å; Y666-V678 HydrophobicContact CE1-CB 4.24Å; Y666-V678 HydrophobicContact CE1-CG1 3.79Å; Y666-V678 HydrophobicContact CE1-CG2 3.43Å; Y666-V678 VanDerWaalsContact CE1-CG2 3.43Å; Y666-V678 HydrophobicContact CE2-CG1 4.42Å |
| 679 | E | 91.5 | Very high | 79.8 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.1 | 175.5 | -65.3 | -175.9 | 159.8 | 0 | 0 | 110.1 | F665 R667 I681 | F665-E679 HydrophobicContact CB-CB 4.33Å; F665-E679 HydrophobicContact CD1-CB 4.37Å; F665-E679 PolarHBondContact N-O 2.95Å; F665-E679 PolarHBondContact O-N 3.05Å; R667-E679 VanDerWaalsContact CZ-CD 3.48Å; R667-E679 IonicContact CZ-OE1 3.17Å; R667-E679 IonicContact CZ-OE2 2.78Å; R667-E679 IonicContact NE-OE1 3.19Å; R667-E679 PolarHBondContact NE-OE1 3.18Å; R667-E679 VanDerWaalsContact NE-OE1 3.12Å; R667-E679 IonicContact NE-OE2 3.92Å; R667-E679 PolarHBondContact NE-OE2 3.42Å; R667-E679 IonicContact NH1-OE1 3.57Å; R667-E679 IonicContact NH2-OE1 2.71Å; R667-E679 PolarHBondContact NH2-OE1 3.38Å; R667-E679 IonicContact NH2-OE2 3.88Å; R667-E679 PolarHBondContact NH2-OE2 3.44Å; E679-I681 PolarHBondContact O-N 2.62Å |
| 680 | L | 93.5 | Very high | 79.7 | Confident | 125 Ų | 125 | 68 Ų | 68 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 95.1 | 179.4 | -57.8 | -177.9 | 0 | 0 | 0 | 109.1 | L664 | L664-L680 HydrophobicContact CD2-CD2 3.33Å |
| 681 | I | 91.6 | Very high | 79.1 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.6 | -179.7 | -65.1 | -180 | 0 | 0 | 0 | 108.9 | S662 H663 F665 E679 F685 Y686 | S662-I681 CarbonylContact C-O 3.53Å; S662-I681 VanDerWaalsContact CA-O 3.25Å; S662-I681 WeakPolarHBondContact CA-O 3.3Å; S662-I681 WeakPolarHBondContact CB-O 3.49Å; H663-I681 HydrophobicContact CB-CB 4.35Å; H663-I681 PolarHBondContact CD2-O 2.75Å; H663-I681 PolarHBondContact N-O 2.94Å; H663-I681 PolarHBondContact O-N 3.34Å; F665-I681 HydrophobicContact CB-CD1 3.76Å; F665-I681 HydrophobicContact CB-CG1 4.28Å; F665-I681 HydrophobicContact CD1-CD1 3.74Å; F665-I681 HydrophobicContact CG-CD1 4.08Å; E679-I681 PolarHBondContact O-N 2.62Å; I681-F685 HydrophobicContact CG2-CB 3.53Å; I681-F685 HydrophobicContact CG2-CD1 3.4Å; I681-F685 VanDerWaalsContact CG2-CD1 3.4Å; I681-F685 HydrophobicContact CG2-CE1 4.3Å; I681-F685 HydrophobicContact CG2-CG 3.61Å; I681-Y686 HydrophobicContact CD1-CE1 4.46Å; I681-Y686 WeakPolarHBondContact CD1-OH 3.21Å; I681-Y686 HydrophobicContact CG2-CE1 4.4Å; I681-Y686 HydrophobicContact CG2-CE2 4.37Å |
| 682 | N | 92.6 | Very high | 79 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | -58 | 147.2 | -176.4 | -164.5 | 24.4 | 0 | 0 | 0 | 112 | H663 D684 F685 | H663-N682 PolarHBondContact CD2-O 3.1Å; N682-D684 VanDerWaalsContact CG-OD1 3.29Å; N682-D684 VanDerWaalsContact ND2-CG 3.3Å; N682-D684 PolarHBondContact ND2-OD1 2.87Å; N682-D684 PolarHBondContact ND2-OD2 3.47Å; N682-D684 PolarHBondContact O-N 3.36Å; N682-F685 WeakPolarHBondContact O-CB 3.47Å; N682-F685 PolarHBondContact O-N 2.73Å | ||
| 683 | H | 90.7 | Very high | 79.4 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.8 | -171.5 | 72.7 | 71.5 | 0 | 0 | 0 | 115.2 | C133 K661 | C133-H683 HydrophobicContact CB-CB 4.16Å; K661-H683 WeakPolarHBondContact O-CB 3.45Å |
| 684 | D | 90.3 | Very high | 79.8 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -4.3 | 177.8 | 64.4 | 0.3 | 0 | 0 | 0 | 112.4 | N682 Y686 R687 K688 | N682-D684 VanDerWaalsContact CG-OD1 3.29Å; N682-D684 VanDerWaalsContact ND2-CG 3.3Å; N682-D684 PolarHBondContact ND2-OD1 2.87Å; N682-D684 PolarHBondContact ND2-OD2 3.47Å; N682-D684 PolarHBondContact O-N 3.36Å; D684-Y686 PolarHBondContact O-N 3.5Å; D684-R687 PolarHBondContact O-N 3.41Å; D684-K688 HydrophobicContact CB-CD 4.02Å; D684-K688 HydrophobicContact CB-CG 4.38Å; D684-K688 WeakPolarHBondContact O-CB 3.45Å; D684-K688 WeakPolarHBondContact O-CG 3.06Å; D684-K688 PolarHBondContact O-N 3.23Å; D684-K688 WeakPolarHBondContact OD2-CD 3.3Å; D684-K688 VanDerWaalsContact OD2-CE 3.26Å; D684-K688 WeakPolarHBondContact OD2-CE 3.33Å; D684-K688 IonicContact OD2-NZ 3.39Å; D684-K688 PolarHBondContact OD2-NZ 3.48Å |
| 685 | F | 92.3 | Very high | 80.2 | Confident | 75 Ų | 75 | 58.9 Ų | 58.9 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -48.6 | -168.3 | 172.9 | -95.4 | 0 | 0 | 0 | 112 | Y147 I681 N682 K688 S689 | Y147-F685 HydrophobicContact CD2-CE1 4.49Å; Y147-F685 HydrophobicContact CE1-CE1 4.42Å; Y147-F685 AromaticContact CE2-CE1 3.84Å; Y147-F685 HydrophobicContact CE2-CE1 3.84Å; Y147-F685 HydrophobicContact CE2-CZ 4.18Å; Y147-F685 AromaticContact CZ-CE1 3.8Å; I681-F685 HydrophobicContact CG2-CB 3.53Å; I681-F685 HydrophobicContact CG2-CD1 3.4Å; I681-F685 VanDerWaalsContact CG2-CD1 3.4Å; I681-F685 HydrophobicContact CG2-CE1 4.3Å; I681-F685 HydrophobicContact CG2-CG 3.61Å; N682-F685 WeakPolarHBondContact O-CB 3.47Å; N682-F685 PolarHBondContact O-N 2.73Å; F685-K688 PolarHBondContact O-N 3.31Å; F685-S689 WeakPolarHBondContact CE2-OG 3.33Å; F685-S689 WeakPolarHBondContact O-CB 3.38Å; F685-S689 PolarHBondContact O-N 3.39Å; F685-S689 PolarHBondContact O-OG 3.45Å |
| 686 | Y | 90.1 | Very high | 80.2 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -55.3 | 179.7 | -62.1 | -52 | 0 | 0 | 0 | 109.8 | F45 Y144 Y147 H663 I681 D684 K688 S689 V690 | F45-Y686 HydrophobicContact CE2-CE2 4.48Å; Y144-Y686 HydrophobicContact CD2-CD1 4.05Å; Y144-Y686 AromaticContact CD2-CE1 3.64Å; Y144-Y686 HydrophobicContact CD2-CE1 3.64Å; Y144-Y686 HydrophobicContact CD2-CE2 4.16Å; Y144-Y686 HydrophobicContact CD2-CG 4.5Å; Y144-Y686 AromaticContact CD2-CZ 3.68Å; Y144-Y686 HydrophobicContact CE2-CE1 4.06Å; Y147-Y686 AromaticContact CD1-CD1 3.46Å; Y147-Y686 HydrophobicContact CD1-CD1 3.46Å; Y147-Y686 VanDerWaalsContact CD1-CD1 3.46Å; Y147-Y686 AromaticContact CD1-CE1 3.72Å; Y147-Y686 HydrophobicContact CD1-CE1 3.72Å; Y147-Y686 HydrophobicContact CD2-CD1 4.46Å; Y147-Y686 AromaticContact CE1-CD1 3.94Å; Y147-Y686 HydrophobicContact CE1-CD1 3.94Å; Y147-Y686 AromaticContact CE1-CE1 3.82Å; Y147-Y686 HydrophobicContact CE1-CE1 3.82Å; Y147-Y686 AromaticContact CG-CD1 3.75Å; Y147-Y686 HydrophobicContact CG-CD1 3.75Å; Y147-Y686 HydrophobicContact CG-CE1 4.45Å; H663-Y686 HydrophobicContact CB-CE2 4.44Å; H663-Y686 AromaticContact CD2-CD2 3.87Å; H663-Y686 AromaticContact CD2-CE2 3.71Å; H663-Y686 AromaticContact CG-CE2 3.92Å; I681-Y686 HydrophobicContact CD1-CE1 4.46Å; I681-Y686 WeakPolarHBondContact CD1-OH 3.21Å; I681-Y686 HydrophobicContact CG2-CE1 4.4Å; I681-Y686 HydrophobicContact CG2-CE2 4.37Å; D684-Y686 PolarHBondContact O-N 3.5Å; Y686-K688 VanDerWaalsContact C-N 3.31Å; Y686-K688 PolarHBondContact O-N 2.9Å; Y686-S689 CarbonylContact O-C 3.16Å; Y686-S689 PolarHBondContact O-N 3.23Å; Y686-V690 WeakPolarHBondContact O-CG2 3.5Å; Y686-V690 PolarHBondContact O-N 3.11Å; Y686-V690 VanDerWaalsContact O-N 3.11Å |
| 687 | R | 87.1 | Confident | 80.3 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -48.7 | -44.9 | 175 | -170.3 | -178.5 | -55.9 | 120.6 | 28.1 | 114.2 | E143 N524 D684 | E143-R687 VanDerWaalsContact CD-NH2 3.34Å; E143-R687 HydrophobicContact CG-CB 4.42Å; E143-R687 IonicContact OE1-CZ 2.61Å; E143-R687 IonicContact OE1-NE 2.98Å; E143-R687 PolarHBondContact OE1-NE 2.81Å; E143-R687 IonicContact OE1-NH2 2.68Å; E143-R687 PolarHBondContact OE1-NH2 2.84Å; E143-R687 IonicContact OE2-CZ 3.34Å; E143-R687 IonicContact OE2-NE 3.8Å; E143-R687 IonicContact OE2-NH2 2.67Å; E143-R687 PolarHBondContact OE2-NH2 2.91Å; N524-R687 HydrophobicContact CB-CG 4.07Å; D684-R687 PolarHBondContact O-N 3.41Å |
| 688 | K | 85.1 | Confident | 80.2 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -81.2 | -15.8 | -179 | -72.5 | -178.6 | 176.6 | 172.9 | 0 | 114.2 | D684 F685 Y686 | D684-K688 HydrophobicContact CB-CD 4.02Å; D684-K688 HydrophobicContact CB-CG 4.38Å; D684-K688 WeakPolarHBondContact O-CB 3.45Å; D684-K688 WeakPolarHBondContact O-CG 3.06Å; D684-K688 PolarHBondContact O-N 3.23Å; D684-K688 WeakPolarHBondContact OD2-CD 3.3Å; D684-K688 VanDerWaalsContact OD2-CE 3.26Å; D684-K688 WeakPolarHBondContact OD2-CE 3.33Å; D684-K688 IonicContact OD2-NZ 3.39Å; D684-K688 PolarHBondContact OD2-NZ 3.48Å; F685-K688 PolarHBondContact O-N 3.31Å; Y686-K688 VanDerWaalsContact C-N 3.31Å; Y686-K688 PolarHBondContact O-N 2.9Å |
| 689 | S | 81.4 | Confident | 79.7 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -101.6 | 3.6 | 178.7 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | S150 F685 Y686 N691 | S150-S689 PolarHBondContact OG-O 3.02Å; F685-S689 WeakPolarHBondContact CE2-OG 3.33Å; F685-S689 WeakPolarHBondContact O-CB 3.38Å; F685-S689 PolarHBondContact O-N 3.39Å; F685-S689 PolarHBondContact O-OG 3.45Å; Y686-S689 CarbonylContact O-C 3.16Å; Y686-S689 PolarHBondContact O-N 3.23Å; S689-N691 PolarHBondContact O-N 3.49Å; S689-N691 VanDerWaalsContact O-N 3.1Å |
| 690 | V | 72.8 | Confident | 78.9 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | trans | -72.7 | 95.7 | 167.4 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | A146 Y686 C692 | A146-V690 HydrophobicContact CB-CG1 3.87Å; A146-V690 HydrophobicContact CB-CG2 3.82Å; Y686-V690 WeakPolarHBondContact O-CG2 3.5Å; Y686-V690 PolarHBondContact O-N 3.11Å; Y686-V690 VanDerWaalsContact O-N 3.11Å; V690-C692 HydrophobicContact CG1-CB 3.85Å; V690-C692 WeakPolarHBondContact CG1-SG 3.42Å; V690-C692 PolarHBondContact O-N 2.84Å; V690-C692 VanDerWaalsContact O-N 3.15Å | ||
| 691 | N | 54.1 | Low | 78 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | trans | -73.3 | 97.4 | 162.6 | -80.7 | 22.6 | 0 | 0 | 0 | 108.7 | S689 E696 | S689-N691 PolarHBondContact O-N 3.49Å; S689-N691 VanDerWaalsContact O-N 3.1Å; N691-E696 VanDerWaalsContact C-OE2 3.25Å | ||
| 692 | C | 61.7 | Low | 77 | Confident | 41 Ų | 41 | 57.6 Ų | 57.6 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | trans | -134.4 | 64.9 | 172.5 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | V690 E696 L697 | V690-C692 HydrophobicContact CG1-CB 3.85Å; V690-C692 WeakPolarHBondContact CG1-SG 3.42Å; V690-C692 PolarHBondContact O-N 2.84Å; V690-C692 VanDerWaalsContact O-N 3.15Å; C692-E696 PolarHBondContact N-OE2 3.28Å; C692-L697 HydrophobicContact CB-CD1 4.08Å; C692-L697 HydrophobicContact CB-CD2 4.06Å; C692-L697 HydrophobicContact CB-CG 3.94Å | ||
| 693 | G | 64.3 | Low | 75.4 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | trans | -65.7 | 153.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S695 E696 L697 | G693-S695 PolarHBondContact O-N 2.85Å; G693-S695 VanDerWaalsContact O-N 3.11Å; G693-E696 PolarHBondContact N-OE2 3.13Å; G693-E696 WeakPolarHBondContact O-CA 3.36Å; G693-E696 WeakPolarHBondContact O-CB 3.33Å; G693-E696 PolarHBondContact O-N 3.15Å; G693-L697 PolarHBondContact O-N 2.94Å | ||
| 694 | E | 69.4 | Low | 74 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -52.1 | -36.9 | 179.2 | -69.5 | 155.7 | -158.5 | 0 | 0 | 112.6 | L283 Y285 S698 | L283-E694 HydrophobicContact CD1-CB 4.01Å; L283-E694 HydrophobicContact CD1-CG 4.32Å; Y285-E694 HydrophobicContact CE2-CG 4.12Å; E694-S698 VanDerWaalsContact O-CB 3.25Å; E694-S698 WeakPolarHBondContact O-CB 3.46Å; E694-S698 PolarHBondContact O-N 3.08Å; E694-S698 PolarHBondContact O-OG 2.88Å |
| 695 | S | 70.8 | Confident | 72.9 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 64% | 0.643 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 175.3 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | G693 Q699 | G693-S695 PolarHBondContact O-N 2.85Å; G693-S695 VanDerWaalsContact O-N 3.11Å; S695-Q699 VanDerWaalsContact O-CB 3.27Å; S695-Q699 WeakPolarHBondContact O-CB 3.31Å; S695-Q699 PolarHBondContact O-N 3.39Å |
| 696 | E | 69.5 | Low | 72.3 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.3 | -40.1 | -180 | -63 | 172 | 129.8 | 0 | 0 | 110.9 | N691 C692 G693 Q699 F700 | N691-E696 VanDerWaalsContact C-OE2 3.25Å; C692-E696 PolarHBondContact N-OE2 3.28Å; G693-E696 PolarHBondContact N-OE2 3.13Å; G693-E696 WeakPolarHBondContact O-CA 3.36Å; G693-E696 WeakPolarHBondContact O-CB 3.33Å; G693-E696 PolarHBondContact O-N 3.15Å; E696-Q699 PolarHBondContact O-N 3.3Å; E696-F700 WeakPolarHBondContact O-CB 3.32Å; E696-F700 PolarHBondContact O-N 3.24Å |
| 697 | L | 74.1 | Confident | 72 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 171.7 | -70.2 | 173.2 | 0 | 0 | 0 | 111.4 | L283 L523 C692 G693 Q699 F700 Y701 | L283-L697 HydrophobicContact CB-CD1 4.19Å; L283-L697 HydrophobicContact CD2-CB 3.94Å; L523-L697 HydrophobicContact CD2-CD1 3.82Å; C692-L697 HydrophobicContact CB-CD1 4.08Å; C692-L697 HydrophobicContact CB-CD2 4.06Å; C692-L697 HydrophobicContact CB-CG 3.94Å; G693-L697 PolarHBondContact O-N 2.94Å; L697-Q699 VanDerWaalsContact C-N 3.25Å; L697-Q699 PolarHBondContact O-N 3Å; L697-F700 WeakPolarHBondContact O-CB 3.35Å; L697-F700 PolarHBondContact O-N 3.46Å; L697-Y701 WeakPolarHBondContact O-CD1 3.41Å; L697-Y701 PolarHBondContact O-N 3.07Å |
| 698 | S | 75.6 | Confident | 72 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -41.8 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | E694 A702 | E694-S698 VanDerWaalsContact O-CB 3.25Å; E694-S698 WeakPolarHBondContact O-CB 3.46Å; E694-S698 PolarHBondContact O-N 3.08Å; E694-S698 PolarHBondContact O-OG 2.88Å; S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.29Å; S698-A702 VanDerWaalsContact O-N 3.11Å |
| 699 | Q | 75.2 | Confident | 72 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 174.3 | -175.9 | 173.5 | -3.7 | 0 | 0 | 111.9 | S695 E696 L697 A702 S703 | S695-Q699 VanDerWaalsContact O-CB 3.27Å; S695-Q699 WeakPolarHBondContact O-CB 3.31Å; S695-Q699 PolarHBondContact O-N 3.39Å; E696-Q699 PolarHBondContact O-N 3.3Å; L697-Q699 VanDerWaalsContact C-N 3.25Å; L697-Q699 PolarHBondContact O-N 3Å; Q699-A702 PolarHBondContact O-N 3.06Å; Q699-S703 WeakPolarHBondContact O-CB 3.32Å; Q699-S703 PolarHBondContact O-N 3.45Å; Q699-S703 PolarHBondContact O-OG 3.29Å |
| 700 | F | 74.9 | Confident | 71.7 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.4 | 177.7 | -104.5 | 0 | 0 | 0 | 112.5 | H149 Y154 H177 E696 L697 I704 R706 | H149-F700 HydrophobicContact CB-CE2 4.39Å; H149-F700 AromaticContact CE1-CZ 3.77Å; H149-F700 AromaticContact ND1-CE1 3.94Å; H149-F700 AromaticContact ND1-CE2 3.71Å; H149-F700 AromaticContact ND1-CZ 3.36Å; H149-F700 WeakPolarHBondContact ND1-CZ 3.44Å; Y154-F700 AromaticContact CE1-CE2 3.94Å; Y154-F700 HydrophobicContact CE1-CE2 3.94Å; Y154-F700 AromaticContact CZ-CE2 3.84Å; Y154-F700 WeakPolarHBondContact OH-CE2 3.37Å; H177-F700 HydrophobicContact CB-CE1 4.21Å; E696-F700 WeakPolarHBondContact O-CB 3.32Å; E696-F700 PolarHBondContact O-N 3.24Å; L697-F700 WeakPolarHBondContact O-CB 3.35Å; L697-F700 PolarHBondContact O-N 3.46Å; F700-I704 HydrophobicContact CD2-CD1 3.7Å; F700-I704 HydrophobicContact CE2-CD1 4.04Å; F700-R706 PolarHBondContact O-NH1 2.82Å |
| 701 | Y | 75.5 | Confident | 71.7 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 9% | 0.09 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 176.9 | -80.1 | 51.8 | 0 | 0 | 0 | 110 | H177 E231 D235 L283 L697 R706 | H177-Y701 AromaticContact CD2-CZ 3.86Å; H177-Y701 AromaticContact CE1-CE2 3.94Å; H177-Y701 AromaticContact CE1-CZ 3.88Å; H177-Y701 AromaticContact NE2-CZ 3.66Å; H177-Y701 PolarHBondContact NE2-OH 2.87Å; H177-Y701 VanDerWaalsContact NE2-OH 3.09Å; E231-Y701 HydrophobicContact CB-CD2 3.55Å; E231-Y701 HydrophobicContact CB-CE2 3.81Å; E231-Y701 HydrophobicContact CB-CG 4.46Å; E231-Y701 HydrophobicContact CG-CD2 4.37Å; D235-Y701 PolarHBondContact OD1-OH 3.43Å; D235-Y701 WeakPolarHBondContact OD2-CE2 3.16Å; D235-Y701 PolarHBondContact OD2-OH 2.95Å; L283-Y701 HydrophobicContact CD2-CD1 4.5Å; L283-Y701 HydrophobicContact CD2-CE1 4.26Å; L697-Y701 WeakPolarHBondContact O-CD1 3.41Å; L697-Y701 PolarHBondContact O-N 3.07Å; Y701-R706 PolarHBondContact O-NH2 2.93Å |
| 702 | A | 69.7 | Low | 73.2 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 74% | 0.736 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -91.9 | -27.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | S698 Q699 | S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.29Å; S698-A702 VanDerWaalsContact O-N 3.11Å; Q699-A702 PolarHBondContact O-N 3.06Å |
| 703 | S | 60 | Low | 74.6 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 51% | 0.51 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -92.9 | -3.9 | -165.7 | 69.8 | 0 | 0 | 0 | 0 | 115.9 | Q699 | Q699-S703 WeakPolarHBondContact O-CB 3.32Å; Q699-S703 PolarHBondContact O-N 3.45Å; Q699-S703 PolarHBondContact O-OG 3.29Å |
| 704 | I | 60.3 | Low | 75.9 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | trans | -120.4 | 118.9 | -164.2 | -57.4 | -170.3 | 0 | 0 | 0 | 111.7 | Y154 P156 F700 R706 | Y154-I704 HydrophobicContact CE1-CD1 3.99Å; P156-I704 HydrophobicContact CB-CG2 3.33Å; P156-I704 HydrophobicContact CG-CG2 3.3Å; F700-I704 HydrophobicContact CD2-CD1 3.7Å; F700-I704 HydrophobicContact CE2-CD1 4.04Å; I704-R706 HydrophobicContact CG2-CG 3.86Å; I704-R706 PolarHBondContact O-N 2.86Å | ||
| 705 | T | 67.3 | Low | 77 | Confident | 134 Ų | 134 | 53.5 Ų | 53.5 | 82% | 0.822 | 32% | 0.315 | S | S | * | . | trans | -74.8 | 71.9 | 171.2 | 41.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 706 | R | 78.9 | Confident | 77.8 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 13% | 0.125 | 31% | 0.314 | C | S | . | . | trans | -64.3 | 139.5 | 166.5 | -60.5 | -177.4 | -76.4 | -76.3 | -6.5 | 109.4 | N157 H177 I179 E231 F700 Y701 I704 | N157-R706 WeakPolarHBondContact OD1-CA 3.46Å; H177-R706 VanDerWaalsContact O-CD 3.28Å; H177-R706 WeakPolarHBondContact O-CD 3.42Å; H177-R706 PolarHBondContact O-NE 3.12Å; I179-R706 HydrophobicContact CD1-CB 3.49Å; I179-R706 VanDerWaalsContact CD1-CB 3.49Å; I179-R706 HydrophobicContact CG1-CB 3.97Å; E231-R706 IonicContact OE1-CZ 2.66Å; E231-R706 IonicContact OE1-NE 2.91Å; E231-R706 PolarHBondContact OE1-NE 3.16Å; E231-R706 IonicContact OE1-NH2 2.62Å; E231-R706 PolarHBondContact OE1-NH2 3.09Å; F700-R706 PolarHBondContact O-NH1 2.82Å; Y701-R706 PolarHBondContact O-NH2 2.93Å; I704-R706 HydrophobicContact CG2-CG 3.86Å; I704-R706 PolarHBondContact O-N 2.86Å | ||
| 707 | S | 84.5 | Confident | 78.6 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | trans | -146.7 | 152.7 | 177.6 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | N157 N180 V709 | N157-S707 PolarHBondContact OD1-N 2.92Å; N157-S707 PolarHBondContact OD1-O 3.04Å; N180-S707 PolarHBondContact ND2-O 3.31Å; N180-S707 PolarHBondContact OD1-O 3Å; S707-V709 PolarHBondContact O-N 2.98Å | ||
| 708 | V | 86.3 | Confident | 79.3 | Confident | 37 Ų | 37 | 51 Ų | 51 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | trans | -73.3 | 117.2 | 175.6 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | I179 N180 F712 | I179-V708 HydrophobicContact CG2-CB 4.29Å; I179-V708 HydrophobicContact CG2-CG2 3.55Å; N180-V708 WeakPolarHBondContact OD1-CA 3.5Å; V708-F712 HydrophobicContact CG1-CB 3.65Å | ||
| 709 | V | 84.9 | Confident | 80 | Confident | 27 Ų | 27 | 50 Ų | 50 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | trans | -65.7 | 153.8 | -179.7 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | N157 R159 N180 S707 D711 F712 R717 | N157-V709 HydrophobicContact CB-CG1 4.06Å; R159-V709 HydrophobicContact CG-CG2 4.01Å; N180-V709 WeakPolarHBondContact OD1-CG2 3.39Å; N180-V709 PolarHBondContact OD1-N 2.92Å; S707-V709 PolarHBondContact O-N 2.98Å; V709-D711 VanDerWaalsContact CG2-OD1 3.27Å; V709-D711 WeakPolarHBondContact CG2-OD1 3.24Å; V709-D711 PolarHBondContact O-N 2.84Å; V709-F712 HydrophobicContact CG2-CB 3.81Å; V709-F712 HydrophobicContact CG2-CD2 3.51Å; V709-F712 HydrophobicContact CG2-CE2 4.4Å; V709-F712 HydrophobicContact CG2-CG 3.88Å; V709-F712 PolarHBondContact O-N 3.4Å; V709-R717 PolarHBondContact O-NH2 2.97Å | ||
| 710 | D | 76 | Confident | 80.8 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.4 | -171.9 | -113.9 | -50 | 0 | 0 | 0 | 115.2 | R770 P975 | D710-R770 PolarHBondContact O-NH2 2.86Å; D710-R770 IonicContact OD1-CZ 3.17Å; D710-R770 VanDerWaalsContact OD1-CZ 3.3Å; D710-R770 IonicContact OD1-NH1 3.89Å; D710-R770 PolarHBondContact OD1-NH1 2.86Å; D710-R770 IonicContact OD1-NH2 2.79Å; D710-R770 PolarHBondContact OD1-NH2 2.83Å; D710-P975 HydrophobicContact CB-CG 4.36Å |
| 711 | D | 73.5 | Confident | 81.6 | Confident | 95 Ų | 95 | 48 Ų | 48 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.2 | 177.8 | 58.7 | -52.4 | 0 | 0 | 0 | 114.3 | R159 V709 | R159-D711 WeakPolarHBondContact CD-OD2 3.43Å; R159-D711 IonicContact CZ-OD2 3.96Å; R159-D711 IonicContact NE-OD2 2.99Å; R159-D711 VanDerWaalsContact NH1-CG 3.34Å; R159-D711 IonicContact NH1-OD1 2.65Å; R159-D711 PolarHBondContact NH1-OD1 2.8Å; R159-D711 IonicContact NH1-OD2 3.12Å; R159-D711 PolarHBondContact NH1-OD2 2.94Å; V709-D711 VanDerWaalsContact CG2-OD1 3.27Å; V709-D711 WeakPolarHBondContact CG2-OD1 3.24Å; V709-D711 PolarHBondContact O-N 2.84Å |
| 712 | F | 85.8 | Confident | 82.5 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -88.7 | 146.6 | 169.5 | -94.5 | -119.5 | 0 | 0 | 0 | 110.9 | R159 N180 C182 Y205 V708 V709 R717 | R159-F712 HydrophobicContact CB-CE2 4.08Å; R159-F712 HydrophobicContact CB-CZ 4.45Å; R159-F712 HydrophobicContact CG-CD2 4.18Å; R159-F712 HydrophobicContact CG-CE2 3.66Å; R159-F712 HydrophobicContact CG-CZ 4.37Å; N180-F712 HydrophobicContact CB-CD1 4.22Å; N180-F712 HydrophobicContact CB-CE1 4.16Å; N180-F712 HydrophobicContact CB-CG 4.48Å; N180-F712 HydrophobicContact CB-CZ 4.35Å; N180-F712 WeakPolarHBondContact O-CE1 3.41Å; N180-F712 VanDerWaalsContact O-CZ 3.22Å; N180-F712 WeakPolarHBondContact O-CZ 3.4Å; C182-F712 HydrophobicContact CB-CE1 4.22Å; C182-F712 HydrophobicContact CB-CZ 4.26Å; Y205-F712 AromaticContact CD1-CD1 3.89Å; Y205-F712 HydrophobicContact CD1-CD1 3.89Å; Y205-F712 AromaticContact CD1-CE1 3.92Å; Y205-F712 HydrophobicContact CD1-CE1 3.92Å; Y205-F712 HydrophobicContact CE1-CD1 4.41Å; Y205-F712 HydrophobicContact CE1-CE1 4.37Å; V708-F712 HydrophobicContact CG1-CB 3.65Å; V709-F712 HydrophobicContact CG2-CB 3.81Å; V709-F712 HydrophobicContact CG2-CD2 3.51Å; V709-F712 HydrophobicContact CG2-CE2 4.4Å; V709-F712 HydrophobicContact CG2-CG 3.88Å; V709-F712 PolarHBondContact O-N 3.4Å; F712-R717 VanDerWaalsContact O-CZ 3.24Å; F712-R717 PolarHBondContact O-NH1 3.15Å; F712-R717 PolarHBondContact O-NH2 3.46Å |
| 713 | P | 89.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -72.1 | 146.8 | 176.2 | 31.4 | -34.3 | 0 | 0 | 0 | 111.3 | Y205 S207 V208 P774 F775 | Y205-P713 HydrophobicContact CD1-CG 3.54Å; Y205-P713 HydrophobicContact CD2-CG 3.81Å; Y205-P713 VanDerWaalsContact CE1-CD 3.49Å; Y205-P713 HydrophobicContact CE1-CG 3.99Å; Y205-P713 HydrophobicContact CE2-CG 4.24Å; Y205-P713 HydrophobicContact CG-CG 3.41Å; Y205-P713 VanDerWaalsContact CG-CG 3.41Å; S207-P713 PolarHBondContact OG-O 2.77Å; V208-P713 HydrophobicContact CG2-CB 3.79Å; V208-P713 HydrophobicContact CG2-CG 3.86Å; V208-P713 WeakPolarHBondContact CG2-O 3.5Å; P713-P774 HydrophobicContact CB-CB 4.21Å; P713-F775 HydrophobicContact CB-CD1 3.83Å; P713-F775 HydrophobicContact CB-CE1 3.91Å; P713-F775 HydrophobicContact CG-CD1 4.04Å; P713-F775 HydrophobicContact CG-CE1 3.8Å | ||
| 714 | S | 91.5 | Very high | 85 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -153.2 | 138.9 | 175.4 | 161.8 | 0 | 0 | 0 | 0 | 109.5 | E211 S716 W773 P774 | E211-S714 WeakPolarHBondContact OE1-CB 3.35Å; E211-S714 PolarHBondContact OE1-OG 2.97Å; E211-S714 VanDerWaalsContact OE2-CA 3.27Å; E211-S714 WeakPolarHBondContact OE2-CA 3.41Å; S714-S716 PolarHBondContact OG-N 3.25Å; S714-S716 PolarHBondContact OG-OG 3.35Å; S714-W773 PolarHBondContact O-NE1 3.4Å; S714-P774 WeakPolarHBondContact O-CB 3.17Å | ||
| 715 | L | 92 | Very high | 86.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -68.3 | -42 | 172.7 | -58 | -178.8 | 0 | 0 | 0 | 110.8 | V208 E211 Y212 L215 R717 L718 F720 L743 W773 P774 | V208-L715 HydrophobicContact CG1-CD2 4.19Å; V208-L715 HydrophobicContact CG1-CG 4.21Å; E211-L715 HydrophobicContact CB-CD1 4.03Å; E211-L715 HydrophobicContact CB-CG 4.33Å; E211-L715 PolarHBondContact OE1-N 2.87Å; E211-L715 PolarHBondContact OE2-N 3.34Å; Y212-L715 HydrophobicContact CD1-CD1 4.23Å; Y212-L715 HydrophobicContact CD2-CD1 4.29Å; Y212-L715 HydrophobicContact CE1-CD1 4.07Å; Y212-L715 HydrophobicContact CE2-CD1 4.14Å; Y212-L715 HydrophobicContact CG-CD1 4.32Å; L215-L715 HydrophobicContact CD1-CD1 3.91Å; L715-R717 PolarHBondContact O-N 3.46Å; L715-L718 PolarHBondContact O-N 2.87Å; L715-F720 HydrophobicContact CB-CE1 3.87Å; L715-F720 HydrophobicContact CB-CZ 4.02Å; L715-L743 HydrophobicContact CD1-CD1 4.21Å; L715-L743 HydrophobicContact CD2-CD1 4Å; L715-W773 HydrophobicContact CB-CZ2 3.98Å; L715-W773 HydrophobicContact CD2-CH2 3.96Å; L715-W773 HydrophobicContact CD2-CZ2 3.78Å; L715-W773 VanDerWaalsContact O-CZ2 3.32Å; L715-W773 WeakPolarHBondContact O-CZ2 3.38Å; L715-W773 PolarHBondContact O-NE1 3.33Å; L715-P774 HydrophobicContact CD2-CB 4.27Å; L715-P774 HydrophobicContact CD2-CG 4.18Å |
| 716 | S | 88.2 | Confident | 87.5 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 62% | 0.622 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -15.3 | -171.6 | 72.8 | 0 | 0 | 0 | 0 | 116.4 | E211 S714 L718 | E211-S716 PolarHBondContact OE1-N 3.05Å; S714-S716 PolarHBondContact OG-N 3.25Å; S714-S716 PolarHBondContact OG-OG 3.35Å; S716-L718 VanDerWaalsContact C-N 3.3Å; S716-L718 PolarHBondContact O-N 2.95Å |
| 717 | R | 87.2 | Confident | 87.9 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 18% | 0.177 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.1 | -179.5 | -57.6 | -166.8 | -179.6 | 114.4 | 2.5 | 115 | V709 F712 L715 L970 | V709-R717 PolarHBondContact O-NH2 2.97Å; F712-R717 VanDerWaalsContact O-CZ 3.24Å; F712-R717 PolarHBondContact O-NH1 3.15Å; F712-R717 PolarHBondContact O-NH2 3.46Å; L715-R717 PolarHBondContact O-N 3.46Å; R717-L970 HydrophobicContact CB-CD1 4.16Å; R717-L970 HydrophobicContact CB-CD2 3.66Å; R717-L970 WeakPolarHBondContact O-CD2 3.34Å |
| 718 | L | 88.4 | Confident | 88 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -122.6 | 147.6 | 170.3 | -74 | -178.8 | 0 | 0 | 0 | 110 | L715 S716 F720 M745 W773 L969 L970 | L715-L718 PolarHBondContact O-N 2.87Å; S716-L718 VanDerWaalsContact C-N 3.3Å; S716-L718 PolarHBondContact O-N 2.95Å; L718-F720 VanDerWaalsContact O-CD1 3.25Å; L718-F720 WeakPolarHBondContact O-CD1 3.27Å; L718-M745 HydrophobicContact CD1-SD 4.31Å; L718-W773 HydrophobicContact CB-CZ2 4.49Å; L718-W773 HydrophobicContact CD1-CB 3.76Å; L718-W773 HydrophobicContact CD1-CD2 3.75Å; L718-W773 HydrophobicContact CD1-CE3 4.29Å; L718-W773 HydrophobicContact CD1-CG 3.49Å; L718-W773 VanDerWaalsContact CD1-CG 3.49Å; L718-W773 HydrophobicContact CG-CD2 4.36Å; L718-W773 HydrophobicContact CG-CG 4Å; L718-L969 WeakPolarHBondContact CD2-O 3.47Å; L718-L970 HydrophobicContact CD2-CD2 3.64Å; L718-L970 HydrophobicContact CG-CD2 3.75Å |
| 719 | P | 89.3 | Confident | 88 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | trans | -76.4 | 132.2 | 170.3 | 32.5 | -33.6 | 0 | 0 | 0 | 110.1 | K746 | P719-K746 HydrophobicContact CB-CB 4.18Å; P719-K746 HydrophobicContact CG-CB 4.24Å; P719-K746 PolarHBondContact O-N 3.1Å | ||
| 720 | F | 92 | Very high | 87.8 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 18% | 0.18 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 169.3 | 175.3 | 58.1 | -91 | 0 | 0 | 0 | 110.9 | L215 L715 L718 H722 L743 T744 M745 W773 | L215-F720 HydrophobicContact CD1-CE2 3.76Å; L215-F720 HydrophobicContact CD1-CZ 4Å; L215-F720 HydrophobicContact CD2-CE2 3.79Å; L215-F720 HydrophobicContact CD2-CZ 4.11Å; L215-F720 HydrophobicContact CG-CE2 4.45Å; L715-F720 HydrophobicContact CB-CE1 3.87Å; L715-F720 HydrophobicContact CB-CZ 4.02Å; L718-F720 VanDerWaalsContact O-CD1 3.25Å; L718-F720 WeakPolarHBondContact O-CD1 3.27Å; F720-H722 HydrophobicContact CD2-CB 4.34Å; F720-H722 HydrophobicContact CE2-CB 4.31Å; F720-L743 HydrophobicContact CD2-CD2 3.93Å; F720-L743 HydrophobicContact CE2-CD2 3.89Å; F720-T744 CarbonylContact C-O 3.54Å; F720-T744 VanDerWaalsContact CA-O 3.25Å; F720-T744 WeakPolarHBondContact CA-O 2.95Å; F720-T744 WeakPolarHBondContact CB-O 3.24Å; F720-M745 HydrophobicContact CB-CE 3.6Å; F720-M745 HydrophobicContact CG-CE 4.33Å; F720-W773 HydrophobicContact CD1-CH2 4.41Å; F720-W773 HydrophobicContact CD1-CZ2 4.11Å; F720-W773 HydrophobicContact CE1-CZ2 4.26Å |
| 721 | T | 92.7 | Very high | 88 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 152 | 157.3 | 16.8 | 0 | 0 | 0 | 0 | 108.4 | L743 T744 K746 | T721-L743 CarbonylContact O-C 3.56Å; T721-T744 PolarHBondContact N-O 2.87Å; T721-T744 PolarHBondContact O-N 3.25Å; T721-K746 WeakPolarHBondContact OG1-CE 3.08Å |
| 722 | H | 93.6 | Very high | 88 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 30% | 0.296 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.8 | -178.1 | 64.6 | -88 | 0 | 0 | 0 | 110.3 | F720 M741 A742 L743 | F720-H722 HydrophobicContact CD2-CB 4.34Å; F720-H722 HydrophobicContact CE2-CB 4.31Å; H722-M741 HydrophobicContact CB-CG 4.49Å; H722-M741 HydrophobicContact CB-SD 3.72Å; H722-A742 CarbonylContact C-O 3.51Å; H722-A742 VanDerWaalsContact CA-O 3.27Å; H722-A742 WeakPolarHBondContact CA-O 3.12Å; H722-L743 HydrophobicContact CB-CD2 3.76Å |
| 723 | K | 92.5 | Very high | 87.1 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 131.5 | 171.4 | 179.8 | -177.3 | 167.8 | -146.7 | 0 | 109.9 | Q725 A742 | K723-Q725 PolarHBondContact O-N 3.39Å; K723-A742 PolarHBondContact N-O 3.21Å; K723-A742 WeakPolarHBondContact O-CB 3.41Å; K723-A742 PolarHBondContact O-N 3.24Å |
| 724 | I | 90.5 | Very high | 86.1 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 38% | 0.379 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.1 | 166.9 | -57.6 | 169.6 | 0 | 0 | 0 | 107.9 | E216 D739 M741 | E216-I724 WeakPolarHBondContact OE1-CD1 3.32Å; I724-D739 HydrophobicContact CG2-CB 3.89Å; I724-M741 HydrophobicContact CD1-CE 4.09Å; I724-M741 HydrophobicContact CG1-CE 3.57Å; I724-M741 HydrophobicContact CG1-SD 4.09Å |
| 725 | Q | 90.7 | Very high | 85.5 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 161.9 | 175.5 | 60.1 | -179.8 | 16.8 | 0 | 0 | 113.5 | K723 I727 D739 S740 A742 | K723-Q725 PolarHBondContact O-N 3.39Å; Q725-I727 HydrophobicContact CG-CG1 4.32Å; Q725-I727 PolarHBondContact O-N 2.74Å; Q725-D739 WeakPolarHBondContact CA-OD2 3.29Å; Q725-S740 PolarHBondContact N-O 3.34Å; Q725-S740 VanDerWaalsContact N-O 3.07Å; Q725-S740 PolarHBondContact O-N 3.03Å; Q725-A742 HydrophobicContact CG-CB 3.88Å |
| 726 | R | 88.8 | Confident | 85.1 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | trans | -68.4 | 84.8 | -177.8 | -163.1 | 72.4 | -178.5 | 85.2 | 18.3 | 114 | S736 K737 L738 D739 | R726-S736 PolarHBondContact NH1-O 2.75Å; R726-S736 PolarHBondContact NH2-O 2.84Å; R726-K737 PolarHBondContact NE-O 3.23Å; R726-K737 VanDerWaalsContact NH1-C 3.31Å; R726-K737 PolarHBondContact NH1-O 3.41Å; R726-K737 PolarHBondContact NH2-O 2.9Å; R726-L738 PolarHBondContact NH1-O 2.67Å; R726-D739 VanDerWaalsContact CA-OD1 3.22Å; R726-D739 WeakPolarHBondContact CA-OD1 3.33Å; R726-D739 VanDerWaalsContact CB-OD1 3.24Å; R726-D739 WeakPolarHBondContact CB-OD1 3.26Å; R726-D739 WeakPolarHBondContact CD-OD1 3.41Å; R726-D739 VanDerWaalsContact N-CG 3.25Å; R726-D739 PolarHBondContact N-OD1 2.95Å; R726-D739 PolarHBondContact N-OD2 3.33Å | ||
| 727 | I | 88.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | trans | -104.1 | 130.6 | 168.2 | -56.6 | -176.1 | 0 | 0 | 0 | 109.5 | Q725 V729 A742 E843 A847 L849 | Q725-I727 HydrophobicContact CG-CG1 4.32Å; Q725-I727 PolarHBondContact O-N 2.74Å; I727-V729 HydrophobicContact CB-CG2 3.85Å; I727-V729 HydrophobicContact CG2-CG2 3.61Å; I727-V729 PolarHBondContact O-N 3.44Å; I727-A742 HydrophobicContact CD1-CB 3.57Å; I727-E843 HydrophobicContact CG2-CG 4.3Å; I727-A847 HydrophobicContact CD1-CB 4.36Å; I727-L849 HydrophobicContact CD1-CD1 4.48Å; I727-L849 HydrophobicContact CD1-CD2 4.25Å | ||
| 728 | P | 85.8 | Confident | 84.5 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | trans | -76.8 | 67.4 | 174.7 | 32.1 | -35.2 | 0 | 0 | 0 | 110.9 | Y730 P735 K844 | P728-Y730 WeakPolarHBondContact O-CD2 3.4Å; P728-Y730 WeakPolarHBondContact O-CE2 3.42Å; P728-P735 HydrophobicContact CB-CB 3.91Å; P728-K844 HydrophobicContact CG-CD 4.26Å | ||
| 729 | V | 86 | Confident | 84.5 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | trans | -72.3 | 126.5 | -177.4 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | I727 V731 P735 S736 K844 A847 | I727-V729 HydrophobicContact CB-CG2 3.85Å; I727-V729 HydrophobicContact CG2-CG2 3.61Å; I727-V729 PolarHBondContact O-N 3.44Å; V729-V731 HydrophobicContact CG1-CG2 4.06Å; V729-V731 PolarHBondContact O-N 2.8Å; V729-P735 CarbonylContact O-C 3.58Å; V729-P735 WeakPolarHBondContact O-CA 3.47Å; V729-S736 PolarHBondContact O-N 3.39Å; V729-K844 WeakPolarHBondContact CA-O 3.49Å; V729-A847 HydrophobicContact CG2-CB 3.95Å | ||
| 730 | Y | 82 | Confident | 84.5 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | trans | -92.9 | 88.6 | 174.4 | -68.9 | -103.2 | 0 | 0 | 0 | 109.4 | P728 P735 K844 R845 F923 P947 | P728-Y730 WeakPolarHBondContact O-CD2 3.4Å; P728-Y730 WeakPolarHBondContact O-CE2 3.42Å; Y730-P735 HydrophobicContact CD1-CB 4.28Å; Y730-P735 HydrophobicContact CD2-CB 4.08Å; Y730-P735 HydrophobicContact CE1-CB 3.99Å; Y730-P735 VanDerWaalsContact CE1-CD 3.44Å; Y730-P735 HydrophobicContact CE1-CG 4.02Å; Y730-P735 HydrophobicContact CE2-CB 3.73Å; Y730-P735 HydrophobicContact CE2-CG 4.39Å; Y730-P735 HydrophobicContact CG-CB 4.34Å; Y730-K844 PolarHBondContact N-O 3.02Å; Y730-R845 WeakPolarHBondContact O-CD 3.49Å; Y730-R845 PolarHBondContact O-NH1 3.15Å; Y730-F923 AromaticContact CD1-CZ 3.99Å; Y730-F923 HydrophobicContact CD1-CZ 3.99Å; Y730-F923 HydrophobicContact CD2-CE1 4.48Å; Y730-F923 AromaticContact CD2-CZ 3.67Å; Y730-F923 HydrophobicContact CD2-CZ 3.67Å; Y730-F923 HydrophobicContact CE1-CE1 4.38Å; Y730-F923 AromaticContact CE1-CZ 3.9Å; Y730-F923 HydrophobicContact CE1-CZ 3.9Å; Y730-F923 AromaticContact CE2-CE1 3.99Å; Y730-F923 HydrophobicContact CE2-CE1 3.99Å; Y730-F923 AromaticContact CE2-CZ 3.61Å; Y730-F923 HydrophobicContact CE2-CZ 3.61Å; Y730-F923 AromaticContact CG-CZ 3.86Å; Y730-F923 HydrophobicContact CG-CZ 3.86Å; Y730-F923 AromaticContact CZ-CE1 3.93Å; Y730-F923 AromaticContact CZ-CZ 3.72Å; Y730-P947 HydrophobicContact CD1-CG 3.49Å; Y730-P947 VanDerWaalsContact CD1-CG 3.49Å; Y730-P947 HydrophobicContact CE1-CG 3.81Å; Y730-P947 HydrophobicContact CG-CG 4.33Å | ||
| 731 | V | 78.7 | Confident | 84.5 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.7 | -45.3 | 168.1 | -177 | 0 | 0 | 0 | 0 | 109.8 | V729 R845 | V729-V731 HydrophobicContact CG1-CG2 4.06Å; V729-V731 PolarHBondContact O-N 2.8Å; V731-R845 PolarHBondContact O-NH1 2.79Å |
| 732 | F | 74.7 | Confident | 84.6 | Confident | 150 Ų | 150 | 71.4 Ų | 71.4 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -115.9 | -154.4 | -178.7 | -54.1 | -71.2 | 0 | 0 | 0 | 111.5 | R734 | F732-R734 PolarHBondContact O-N 2.93Å; F732-R734 VanDerWaalsContact O-N 3.12Å |
| 733 | E | 65.6 | Low | 84.6 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -59.9 | -18.2 | -179.5 | -75.4 | -161.1 | -173.6 | 0 | 0 | 115.9 | K946 L949 | E733-K946 IonicContact OE2-NZ 2.75Å; E733-K946 PolarHBondContact OE2-NZ 3.45Å; E733-L949 HydrophobicContact CG-CD1 3.89Å; E733-L949 HydrophobicContact CG-CD2 4.01Å; E733-L949 HydrophobicContact CG-CG 3.91Å |
| 734 | R | 69.3 | Low | 84.6 | Confident | 189 Ų | 189 | 64.2 Ų | 64.2 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -130.2 | 152 | -172.5 | -61.8 | -171.6 | -170.3 | -167.4 | 4.9 | 109.8 | F732 | F732-R734 PolarHBondContact O-N 2.93Å; F732-R734 VanDerWaalsContact O-N 3.12Å |
| 735 | P | 80.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | trans | -67.9 | 153.4 | 170.5 | 29.3 | -31.5 | 0 | 0 | 0 | 110.5 | P728 V729 Y730 K737 | P728-P735 HydrophobicContact CB-CB 3.91Å; V729-P735 CarbonylContact O-C 3.58Å; V729-P735 WeakPolarHBondContact O-CA 3.47Å; Y730-P735 HydrophobicContact CD1-CB 4.28Å; Y730-P735 HydrophobicContact CD2-CB 4.08Å; Y730-P735 HydrophobicContact CE1-CB 3.99Å; Y730-P735 VanDerWaalsContact CE1-CD 3.44Å; Y730-P735 HydrophobicContact CE1-CG 4.02Å; Y730-P735 HydrophobicContact CE2-CB 3.73Å; Y730-P735 HydrophobicContact CE2-CG 4.39Å; Y730-P735 HydrophobicContact CG-CB 4.34Å; P735-K737 PolarHBondContact O-N 2.75Å | ||
| 736 | S | 81.9 | Confident | 84.3 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | trans | -56.7 | 135.9 | 168.5 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | R726 V729 L738 | R726-S736 PolarHBondContact NH1-O 2.75Å; R726-S736 PolarHBondContact NH2-O 2.84Å; V729-S736 PolarHBondContact O-N 3.39Å; S736-L738 PolarHBondContact OG-N 3.18Å; S736-L738 PolarHBondContact OG-O 2.68Å; S736-L738 VanDerWaalsContact OG-O 3.09Å | ||
| 737 | K | 81 | Confident | 83.7 | Confident | 153 Ų | 153 | 62 Ų | 62 | 67% | 0.665 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -86.4 | -11.8 | 166.3 | -82.7 | -160.5 | 174.8 | -168.1 | 0 | 113.1 | R726 P735 R1812 | R726-K737 PolarHBondContact NE-O 3.23Å; R726-K737 VanDerWaalsContact NH1-C 3.31Å; R726-K737 PolarHBondContact NH1-O 3.41Å; R726-K737 PolarHBondContact NH2-O 2.9Å; P735-K737 PolarHBondContact O-N 2.75Å; K737-R1812 PolarHBondContact NZ-O 3.48Å |
| 738 | L | 82.6 | Confident | 83.3 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -105.8 | 176.7 | -178.9 | -50.7 | -176.3 | 0 | 0 | 0 | 110.6 | E260 R726 S736 | E260-L738 HydrophobicContact CG-CD1 4.15Å; E260-L738 HydrophobicContact CG-CD2 3.6Å; R726-L738 PolarHBondContact NH1-O 2.67Å; S736-L738 PolarHBondContact OG-N 3.18Å; S736-L738 PolarHBondContact OG-O 2.68Å; S736-L738 VanDerWaalsContact OG-O 3.09Å |
| 739 | D | 87.5 | Confident | 83 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | trans | -69.3 | 174.2 | 171 | -83 | 28.6 | 0 | 0 | 0 | 112 | I724 Q725 R726 | I724-D739 HydrophobicContact CG2-CB 3.89Å; Q725-D739 WeakPolarHBondContact CA-OD2 3.29Å; R726-D739 VanDerWaalsContact CA-OD1 3.22Å; R726-D739 WeakPolarHBondContact CA-OD1 3.33Å; R726-D739 VanDerWaalsContact CB-OD1 3.24Å; R726-D739 WeakPolarHBondContact CB-OD1 3.26Å; R726-D739 WeakPolarHBondContact CD-OD1 3.41Å; R726-D739 VanDerWaalsContact N-CG 3.25Å; R726-D739 PolarHBondContact N-OD1 2.95Å; R726-D739 PolarHBondContact N-OD2 3.33Å | ||
| 740 | S | 90 | Very high | 82.6 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.3 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | Q725 A742 | Q725-S740 PolarHBondContact N-O 3.34Å; Q725-S740 VanDerWaalsContact N-O 3.07Å; Q725-S740 PolarHBondContact O-N 3.03Å; S740-A742 PolarHBondContact O-N 3.05Å |
| 741 | M | 93.2 | Very high | 82.5 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 97.9 | 172.5 | -174.2 | 62.1 | 73.4 | 0 | 0 | 109.6 | Y212 L215 E216 H722 I724 L743 | Y212-M741 HydrophobicContact CD1-CB 4.12Å; Y212-M741 HydrophobicContact CD1-CG 3.98Å; Y212-M741 HydrophobicContact CE1-CB 4.09Å; Y212-M741 HydrophobicContact CE1-CG 4.01Å; L215-M741 HydrophobicContact CB-CE 4.06Å; L215-M741 HydrophobicContact CD1-CG 4.49Å; E216-M741 HydrophobicContact CB-CE 4.5Å; E216-M741 WeakPolarHBondContact OE2-CE 3.44Å; H722-M741 HydrophobicContact CB-CG 4.49Å; H722-M741 HydrophobicContact CB-SD 3.72Å; I724-M741 HydrophobicContact CD1-CE 4.09Å; I724-M741 HydrophobicContact CG1-CE 3.57Å; I724-M741 HydrophobicContact CG1-SD 4.09Å; M741-L743 HydrophobicContact CG-CD2 3.9Å |
| 742 | A | 93.8 | Very high | 82.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | H722 K723 Q725 I727 S740 A847 L849 | H722-A742 CarbonylContact C-O 3.51Å; H722-A742 VanDerWaalsContact CA-O 3.27Å; H722-A742 WeakPolarHBondContact CA-O 3.12Å; K723-A742 PolarHBondContact N-O 3.21Å; K723-A742 WeakPolarHBondContact O-CB 3.41Å; K723-A742 PolarHBondContact O-N 3.24Å; Q725-A742 HydrophobicContact CG-CB 3.88Å; I727-A742 HydrophobicContact CD1-CB 3.57Å; S740-A742 PolarHBondContact O-N 3.05Å; A742-A847 CarbonylContact C-O 3.58Å; A742-A847 VanDerWaalsContact CA-O 3.31Å; A742-A847 WeakPolarHBondContact CA-O 3.28Å; A742-L849 HydrophobicContact CB-CD1 4.11Å |
| 743 | L | 94.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 103.2 | -176.5 | -55.2 | -176.1 | 0 | 0 | 0 | 110 | Y212 L215 L715 F720 T721 H722 M741 M745 W773 A847 I848 L849 | Y212-L743 HydrophobicContact CE1-CD1 4.09Å; L215-L743 HydrophobicContact CD1-CD2 4.02Å; L715-L743 HydrophobicContact CD1-CD1 4.21Å; L715-L743 HydrophobicContact CD2-CD1 4Å; F720-L743 HydrophobicContact CD2-CD2 3.93Å; F720-L743 HydrophobicContact CE2-CD2 3.89Å; T721-L743 CarbonylContact O-C 3.56Å; H722-L743 HydrophobicContact CB-CD2 3.76Å; M741-L743 HydrophobicContact CG-CD2 3.9Å; L743-M745 HydrophobicContact CB-CE 3.79Å; L743-M745 WeakPolarHBondContact O-CE 3.22Å; L743-W773 HydrophobicContact CD1-CH2 3.82Å; L743-A847 PolarHBondContact N-O 2.74Å; L743-I848 WeakPolarHBondContact O-CA 3.36Å; L743-L849 PolarHBondContact O-N 3.02Å |
| 744 | T | 92.5 | Very high | 83.3 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 21% | 0.209 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 113.9 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | F720 T721 L849 D851 | F720-T744 CarbonylContact C-O 3.54Å; F720-T744 VanDerWaalsContact CA-O 3.25Å; F720-T744 WeakPolarHBondContact CA-O 2.95Å; F720-T744 WeakPolarHBondContact CB-O 3.24Å; T721-T744 PolarHBondContact N-O 2.87Å; T721-T744 PolarHBondContact O-N 3.25Å; T744-L849 WeakPolarHBondContact CA-O 3.3Å; T744-L849 HydrophobicContact CG2-CB 4.34Å; T744-D851 HydrophobicContact CG2-CB 4.42Å |
| 745 | M | 89.6 | Confident | 83.5 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 137.9 | -179 | -60.4 | -62 | 95.3 | 0 | 0 | 111.2 | L718 F720 L743 W773 I848 L849 F850 | L718-M745 HydrophobicContact CD1-SD 4.31Å; F720-M745 HydrophobicContact CB-CE 3.6Å; F720-M745 HydrophobicContact CG-CE 4.33Å; L743-M745 HydrophobicContact CB-CE 3.79Å; L743-M745 WeakPolarHBondContact O-CE 3.22Å; M745-W773 HydrophobicContact CE-CH2 3.5Å; M745-W773 HydrophobicContact CE-CZ2 4.44Å; M745-W773 HydrophobicContact CE-CZ3 3.54Å; M745-W773 HydrophobicContact SD-CE3 4.1Å; M745-W773 HydrophobicContact SD-CH2 4.04Å; M745-W773 HydrophobicContact SD-CZ3 3.69Å; M745-I848 HydrophobicContact CE-CG2 4.2Å; M745-I848 HydrophobicContact CG-CG2 3.82Å; M745-I848 HydrophobicContact SD-CG2 4.27Å; M745-L849 PolarHBondContact N-O 2.64Å; M745-F850 HydrophobicContact CB-CD1 4.06Å; M745-F850 HydrophobicContact CB-CE1 4.21Å; M745-F850 HydrophobicContact CG-CD1 4.1Å; M745-F850 HydrophobicContact CG-CE1 3.82Å; M745-F850 HydrophobicContact CG-CZ 4.41Å |
| 746 | K | 84.6 | Confident | 83.7 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | trans | -104.7 | 155 | 171.5 | -72 | 179.9 | 170.6 | 178.9 | 0 | 110.6 | P719 T721 H748 | P719-K746 HydrophobicContact CB-CB 4.18Å; P719-K746 HydrophobicContact CG-CB 4.24Å; P719-K746 PolarHBondContact O-N 3.1Å; T721-K746 WeakPolarHBondContact OG1-CE 3.08Å; K746-H748 PolarHBondContact O-N 2.81Å | ||
| 747 | P | 76.3 | Confident | 83.9 | Confident | 97 Ų | 97 | 58 Ų | 58 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | trans | -53.1 | 130.9 | 168.5 | -26 | 35.5 | 0 | 0 | 0 | 111.2 | S752 | P747-S752 WeakPolarHBondContact CB-OG 3.31Š| ||
| 748 | H | 80.1 | Confident | 84.1 | Confident | 38 Ų | 38 | 50.9 Ų | 50.9 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | trans | -75.2 | 129.2 | -179.7 | -169.9 | -71.5 | 0 | 0 | 0 | 110.5 | K746 E750 F751 S752 P971 | K746-H748 PolarHBondContact O-N 2.81Å; H748-E750 VanDerWaalsContact C-N 3.31Å; H748-E750 PolarHBondContact ND1-N 2.97Å; H748-E750 VanDerWaalsContact ND1-N 3.18Å; H748-E750 PolarHBondContact O-N 3.1Å; H748-E750 VanDerWaalsContact O-N 3.12Å; H748-F751 HydrophobicContact CB-CD2 3.85Å; H748-F751 HydrophobicContact CB-CE2 4.43Å; H748-F751 HydrophobicContact CB-CG 4.42Å; H748-F751 WeakPolarHBondContact O-CA 3.43Å; H748-F751 PolarHBondContact O-N 2.83Å; H748-S752 PolarHBondContact O-N 2.72Å; H748-S752 PolarHBondContact O-OG 3.34Å; H748-S752 VanDerWaalsContact O-OG 3.13Å; H748-P971 VanDerWaalsContact CE1-CG 3.45Å; H748-P971 WeakPolarHBondContact CE1-CG 2.93Å | ||
| 749 | P | 78.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | -46.2 | -177.5 | -32.5 | 34.8 | 0 | 0 | 0 | 115.1 | F751 S752 K753 | P749-F751 VanDerWaalsContact C-N 3.3Å; P749-F751 PolarHBondContact O-N 2.98Å; P749-S752 CarbonylContact O-C 3.53Å; P749-S752 PolarHBondContact O-N 2.93Å; P749-K753 WeakPolarHBondContact O-CG 3.37Å; P749-K753 PolarHBondContact O-N 2.87Å |
| 750 | E | 77.6 | Confident | 84.2 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.3 | 175.3 | -64 | -58 | 130 | 0 | 0 | 114.9 | H748 K753 Y754 P971 | H748-E750 VanDerWaalsContact C-N 3.31Å; H748-E750 PolarHBondContact ND1-N 2.97Å; H748-E750 VanDerWaalsContact ND1-N 3.18Å; H748-E750 PolarHBondContact O-N 3.1Å; H748-E750 VanDerWaalsContact O-N 3.12Å; E750-K753 WeakPolarHBondContact OE1-CE 3.36Å; E750-K753 IonicContact OE1-NZ 2.68Å; E750-K753 PolarHBondContact OE1-NZ 3.14Å; E750-K753 IonicContact OE2-NZ 3.8Å; E750-K753 PolarHBondContact OE2-NZ 3.13Å; E750-Y754 WeakPolarHBondContact O-CE2 3.49Å; E750-P971 HydrophobicContact CB-CB 3.82Å; E750-P971 HydrophobicContact CB-CG 3.88Å; E750-P971 HydrophobicContact CG-CB 4.24Å; E750-P971 HydrophobicContact CG-CG 3.96Å |
| 751 | F | 80.1 | Confident | 84.1 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -31.1 | 174.5 | -60.5 | -33 | 0 | 0 | 0 | 111.6 | H748 P749 K753 Y754 L760 I764 I769 L966 L969 P971 | H748-F751 HydrophobicContact CB-CD2 3.85Å; H748-F751 HydrophobicContact CB-CE2 4.43Å; H748-F751 HydrophobicContact CB-CG 4.42Å; H748-F751 WeakPolarHBondContact O-CA 3.43Å; H748-F751 PolarHBondContact O-N 2.83Å; P749-F751 VanDerWaalsContact C-N 3.3Å; P749-F751 PolarHBondContact O-N 2.98Å; F751-K753 PolarHBondContact O-N 2.9Å; F751-K753 VanDerWaalsContact O-N 3.16Å; F751-Y754 PolarHBondContact O-N 2.86Å; F751-L760 HydrophobicContact CB-CD1 4.44Å; F751-L760 HydrophobicContact CD1-CD1 3.44Å; F751-L760 VanDerWaalsContact CD1-CD1 3.44Å; F751-L760 HydrophobicContact CE1-CD1 3.93Å; F751-L760 HydrophobicContact CG-CD1 4.14Å; F751-I764 HydrophobicContact CE1-CG2 4.16Å; F751-I769 HydrophobicContact CZ-CD1 4.48Å; F751-L966 HydrophobicContact CD2-CD1 4.17Å; F751-L966 HydrophobicContact CE2-CD1 4.12Å; F751-L969 HydrophobicContact CE2-CB 3.88Å; F751-L969 HydrophobicContact CZ-CB 3.98Å; F751-P971 HydrophobicContact CD1-CB 4.35Å; F751-P971 HydrophobicContact CE1-CB 3.69Å; F751-P971 HydrophobicContact CZ-CB 3.85Å |
| 752 | S | 74.6 | Confident | 83.8 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.4 | 173.9 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | P747 H748 P749 Y754 | P747-S752 WeakPolarHBondContact CB-OG 3.31Å; H748-S752 PolarHBondContact O-N 2.72Å; H748-S752 PolarHBondContact O-OG 3.34Å; H748-S752 VanDerWaalsContact O-OG 3.13Å; P749-S752 CarbonylContact O-C 3.53Å; P749-S752 PolarHBondContact O-N 2.93Å; S752-Y754 VanDerWaalsContact C-N 3.34Å |
| 753 | K | 79.1 | Confident | 83.3 | Confident | 129 Ų | 129 | 51 Ų | 51 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11 | 171.1 | -71.3 | 175.5 | -171.3 | 174.4 | 0 | 113.7 | P749 E750 F751 | P749-K753 WeakPolarHBondContact O-CG 3.37Å; P749-K753 PolarHBondContact O-N 2.87Å; E750-K753 WeakPolarHBondContact OE1-CE 3.36Å; E750-K753 IonicContact OE1-NZ 2.68Å; E750-K753 PolarHBondContact OE1-NZ 3.14Å; E750-K753 IonicContact OE2-NZ 3.8Å; E750-K753 PolarHBondContact OE2-NZ 3.13Å; F751-K753 PolarHBondContact O-N 2.9Å; F751-K753 VanDerWaalsContact O-N 3.16Å |
| 754 | Y | 81.6 | Confident | 83 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | -102.7 | 125 | -173.9 | -62.9 | -61.4 | 0 | 0 | 0 | 110.6 | E750 F751 S752 S756 Q759 L760 S763 | E750-Y754 WeakPolarHBondContact O-CE2 3.49Å; F751-Y754 PolarHBondContact O-N 2.86Å; S752-Y754 VanDerWaalsContact C-N 3.34Å; Y754-S756 PolarHBondContact O-N 2.97Å; Y754-Q759 VanDerWaalsContact CA-OE1 3.28Å; Y754-Q759 HydrophobicContact CD1-CB 3.68Å; Y754-Q759 HydrophobicContact CG-CB 4.17Å; Y754-L760 HydrophobicContact CD2-CB 3.99Å; Y754-L760 HydrophobicContact CD2-CD1 3.75Å; Y754-L760 HydrophobicContact CD2-CG 4.45Å; Y754-L760 HydrophobicContact CE2-CD1 3.88Å; Y754-L760 HydrophobicContact CG-CB 4.26Å; Y754-S763 WeakPolarHBondContact OH-CB 3.25Å; Y754-S763 PolarHBondContact OH-OG 2.7Å | ||
| 755 | D | 75.2 | Confident | 82.9 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -71.6 | -7.8 | -178 | -46.7 | -68.6 | 0 | 0 | 0 | 113.3 | Q759 | D755-Q759 PolarHBondContact OD2-NE2 2.85Å; D755-Q759 PolarHBondContact OD2-OE1 3.42Å |
| 756 | S | 82.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -160.7 | 157.6 | -175.6 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | Y754 G758 Q759 L760 | Y754-S756 PolarHBondContact O-N 2.97Å; S756-G758 PolarHBondContact O-N 3.33Å; S756-Q759 PolarHBondContact O-N 3.07Å; S756-L760 PolarHBondContact O-N 2.86Å |
| 757 | L | 85.9 | Confident | 83 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -26 | 175.3 | -171.3 | 58.5 | 0 | 0 | 0 | 112.6 | L760 A761 L784 E789 I868 V872 | L757-L760 HydrophobicContact CD1-CD2 4.09Å; L757-L760 PolarHBondContact O-N 2.73Å; L757-A761 VanDerWaalsContact O-CB 3.3Å; L757-A761 WeakPolarHBondContact O-CB 3.39Å; L757-A761 PolarHBondContact O-N 3.49Å; L757-L784 HydrophobicContact CD1-CB 4.41Å; L757-L784 HydrophobicContact CD1-CD1 3.75Å; L757-L784 HydrophobicContact CG-CD1 4.37Å; L757-E789 WeakPolarHBondContact CB-OE1 3.09Å; L757-E789 HydrophobicContact CD2-CG 3.98Å; L757-I868 HydrophobicContact CD1-CG2 4.13Å; L757-V872 HydrophobicContact CD1-CG1 4.26Å; L757-V872 HydrophobicContact CD1-CG2 4.34Å; L757-V872 HydrophobicContact CD2-CG2 4.34Å |
| 758 | G | 85.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -49.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | S756 L760 A761 E762 | S756-G758 PolarHBondContact O-N 3.33Å; G758-L760 VanDerWaalsContact C-N 3.26Å; G758-L760 PolarHBondContact O-N 3.33Å; G758-A761 WeakPolarHBondContact O-CB 3.43Å; G758-A761 PolarHBondContact O-N 3.44Å; G758-A761 VanDerWaalsContact O-N 3.1Å; G758-E762 WeakPolarHBondContact O-CG 3.32Å; G758-E762 PolarHBondContact O-N 3.16Å |
| 759 | Q | 85 | Confident | 84 | Confident | 66 Ų | 66 | 40.6 Ų | 40.6 | 31% | 0.308 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 174.6 | -66.2 | 174.4 | 2.8 | 0 | 0 | 111.5 | Y754 D755 S756 S763 | Y754-Q759 VanDerWaalsContact CA-OE1 3.28Å; Y754-Q759 HydrophobicContact CD1-CB 3.68Å; Y754-Q759 HydrophobicContact CG-CB 4.17Å; D755-Q759 PolarHBondContact OD2-NE2 2.85Å; D755-Q759 PolarHBondContact OD2-OE1 3.42Å; S756-Q759 PolarHBondContact O-N 3.07Å; Q759-S763 PolarHBondContact O-N 3.34Å |
| 760 | L | 87.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.1 | 176.8 | 60.9 | 0 | 0 | 0 | 111.7 | F751 Y754 S756 L757 G758 S763 I764 I868 L966 | F751-L760 HydrophobicContact CB-CD1 4.44Å; F751-L760 HydrophobicContact CD1-CD1 3.44Å; F751-L760 VanDerWaalsContact CD1-CD1 3.44Å; F751-L760 HydrophobicContact CE1-CD1 3.93Å; F751-L760 HydrophobicContact CG-CD1 4.14Å; Y754-L760 HydrophobicContact CD2-CB 3.99Å; Y754-L760 HydrophobicContact CD2-CD1 3.75Å; Y754-L760 HydrophobicContact CD2-CG 4.45Å; Y754-L760 HydrophobicContact CE2-CD1 3.88Å; Y754-L760 HydrophobicContact CG-CB 4.26Å; S756-L760 PolarHBondContact O-N 2.86Å; L757-L760 HydrophobicContact CD1-CD2 4.09Å; L757-L760 PolarHBondContact O-N 2.73Å; G758-L760 VanDerWaalsContact C-N 3.26Å; G758-L760 PolarHBondContact O-N 3.33Å; L760-S763 WeakPolarHBondContact O-CA 3.34Å; L760-S763 WeakPolarHBondContact O-CB 3.25Å; L760-S763 PolarHBondContact O-N 3.49Å; L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG2 3.93Å; L760-I764 HydrophobicContact CG-CD1 4.14Å; L760-I764 WeakPolarHBondContact O-CG1 3.49Å; L760-I764 PolarHBondContact O-N 2.8Å; L760-I868 HydrophobicContact CB-CD1 3.9Å; L760-I868 HydrophobicContact CD2-CD1 3.88Å; L760-I868 HydrophobicContact CD2-CG2 4.37Å; L760-L966 HydrophobicContact CD2-CD1 3.99Å; L760-L966 HydrophobicContact CD2-CD2 3.71Å |
| 761 | A | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L757 G758 S763 I764 L765 L784 W791 | L757-A761 VanDerWaalsContact O-CB 3.3Å; L757-A761 WeakPolarHBondContact O-CB 3.39Å; L757-A761 PolarHBondContact O-N 3.49Å; G758-A761 WeakPolarHBondContact O-CB 3.43Å; G758-A761 PolarHBondContact O-N 3.44Å; G758-A761 VanDerWaalsContact O-N 3.1Å; A761-S763 PolarHBondContact O-N 3.08Å; A761-I764 PolarHBondContact O-N 3.31Å; A761-L765 HydrophobicContact CB-CD1 3.9Å; A761-L765 HydrophobicContact CB-CG 4.25Å; A761-L765 VanDerWaalsContact O-CB 3.27Å; A761-L765 WeakPolarHBondContact O-CB 3.43Å; A761-L765 WeakPolarHBondContact O-CG 3.32Å; A761-L765 PolarHBondContact O-N 3.48Å; A761-L784 HydrophobicContact CB-CD1 3.93Å; A761-W791 HydrophobicContact CB-CB 3.64Å; A761-W791 HydrophobicContact CB-CD2 4.17Å; A761-W791 HydrophobicContact CB-CE3 4.19Å; A761-W791 HydrophobicContact CB-CG 3.96Å |
| 762 | E | 85.8 | Confident | 84.7 | Confident | 104 Ų | 104 | 36.3 Ų | 36.3 | 49% | 0.486 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.5 | -29 | 171.5 | -71.8 | 173.9 | 172.9 | 0 | 0 | 112.8 | G758 L813 | G758-E762 WeakPolarHBondContact O-CG 3.32Å; G758-E762 PolarHBondContact O-N 3.16Å; E762-L813 HydrophobicContact CB-CD1 4.33Å; E762-L813 HydrophobicContact CG-CD1 3.53Å |
| 763 | S | 84.1 | Confident | 85.1 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 20% | 0.203 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -82 | -36.8 | 178.9 | -166.9 | 0 | 0 | 0 | 0 | 114.2 | Y754 Q759 L760 A761 R767 | Y754-S763 WeakPolarHBondContact OH-CB 3.25Å; Y754-S763 PolarHBondContact OH-OG 2.7Å; Q759-S763 PolarHBondContact O-N 3.34Å; L760-S763 WeakPolarHBondContact O-CA 3.34Å; L760-S763 WeakPolarHBondContact O-CB 3.25Å; L760-S763 PolarHBondContact O-N 3.49Å; A761-S763 PolarHBondContact O-N 3.08Å; S763-R767 VanDerWaalsContact O-CD 3.25Å; S763-R767 WeakPolarHBondContact O-CD 3.43Å; S763-R767 PolarHBondContact O-NH1 3.49Å |
| 764 | I | 88.2 | Confident | 85.4 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -113.6 | -23.6 | -170.1 | 73.2 | 179.6 | 0 | 0 | 0 | 115.7 | F751 L760 A761 R767 I769 L784 L969 | F751-I764 HydrophobicContact CE1-CG2 4.16Å; L760-I764 HydrophobicContact CD1-CD1 4.15Å; L760-I764 HydrophobicContact CD1-CG2 3.93Å; L760-I764 HydrophobicContact CG-CD1 4.14Å; L760-I764 WeakPolarHBondContact O-CG1 3.49Å; L760-I764 PolarHBondContact O-N 2.8Å; A761-I764 PolarHBondContact O-N 3.31Å; I764-R767 PolarHBondContact O-N 2.86Å; I764-I769 HydrophobicContact CB-CD1 4.17Å; I764-I769 HydrophobicContact CG2-CD1 4.01Å; I764-L784 HydrophobicContact CD1-CD1 4Å; I764-L784 HydrophobicContact CD1-CD2 3.94Å; I764-L784 HydrophobicContact CG1-CD1 4.26Å; I764-L784 HydrophobicContact CG1-CD2 4.47Å; I764-L969 HydrophobicContact CD1-CD2 4.08Å |
| 765 | L | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 137.2 | -179.6 | -66.9 | -175.7 | 0 | 0 | 0 | 111 | A761 R767 P781 L784 L793 L813 | A761-L765 HydrophobicContact CB-CD1 3.9Å; A761-L765 HydrophobicContact CB-CG 4.25Å; A761-L765 VanDerWaalsContact O-CB 3.27Å; A761-L765 WeakPolarHBondContact O-CB 3.43Å; A761-L765 WeakPolarHBondContact O-CG 3.32Å; A761-L765 PolarHBondContact O-N 3.48Å; L765-R767 PolarHBondContact O-N 3.32Å; L765-P781 HydrophobicContact CD2-CB 3.76Å; L765-L784 HydrophobicContact CD2-CD2 4.1Å; L765-L784 HydrophobicContact CD2-CG 3.99Å; L765-L784 HydrophobicContact CG-CG 4.4Å; L765-L793 HydrophobicContact CB-CD2 4.01Å; L765-L793 HydrophobicContact CB-CG 4.24Å; L765-L813 HydrophobicContact CB-CD2 4.16Å; L765-L813 HydrophobicContact CD1-CD2 3.61Å; L765-L813 HydrophobicContact CG-CD2 4.49Å |
| 766 | G | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -10.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | M780 P781 I801 | G766-M780 WeakPolarHBondContact O-CG 3.42Å; G766-M780 VanDerWaalsContact O-SD 3.35Å; G766-P781 PolarHBondContact N-O 2.82Å; G766-I801 PolarHBondContact O-N 3.32Å |
| 767 | R | 88 | Confident | 85.3 | Confident | 50 Ų | 50 | 25 Ų | 25 | 19% | 0.189 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -96.9 | 146.5 | -177.2 | -52.1 | -158 | 179.6 | 143.4 | -6.2 | 111.8 | S763 I764 L765 I769 M780 P781 I801 | S763-R767 VanDerWaalsContact O-CD 3.25Å; S763-R767 WeakPolarHBondContact O-CD 3.43Å; S763-R767 PolarHBondContact O-NH1 3.49Å; I764-R767 PolarHBondContact O-N 2.86Å; L765-R767 PolarHBondContact O-N 3.32Å; R767-I769 PolarHBondContact O-N 2.81Å; R767-M780 WeakPolarHBondContact O-CG 3.27Å; R767-P781 WeakPolarHBondContact O-CD 3.35Å; R767-I801 HydrophobicContact CG-CB 4.23Å; R767-I801 HydrophobicContact CG-CG2 4.48Å; R767-I801 WeakPolarHBondContact CG-O 3.46Å |
| 768 | P | 88.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | trans | -64.9 | 132.1 | 169.8 | -19.2 | 32.2 | 0 | 0 | 0 | 111 | T778 V779 P800 F901 I973 P974 W986 | P768-T778 HydrophobicContact CB-CG2 4.34Å; P768-V779 WeakPolarHBondContact CA-O 3.49Å; P768-P800 HydrophobicContact CG-CB 4.31Å; P768-F901 HydrophobicContact CB-CZ 4.23Å; P768-F901 HydrophobicContact CG-CZ 4.3Å; P768-I973 HydrophobicContact CB-CG2 4.43Å; P768-P974 VanDerWaalsContact O-CD 3.31Å; P768-P974 WeakPolarHBondContact O-CD 3.37Å; P768-W986 HydrophobicContact CB-CH2 4.08Å; P768-W986 HydrophobicContact CB-CZ2 4.04Å; P768-W986 HydrophobicContact CB-CZ3 4.31Å; P768-W986 HydrophobicContact CG-CD2 4.2Å; P768-W986 HydrophobicContact CG-CE3 4Å; P768-W986 HydrophobicContact CG-CH2 4.35Å; P768-W986 HydrophobicContact CG-CZ3 4.08Å | ||
| 769 | I | 89.1 | Confident | 85.4 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 167.8 | -179.3 | -155 | 162.5 | 0 | 0 | 0 | 110.6 | F751 I764 R767 V771 T778 V779 P781 L969 L970 | F751-I769 HydrophobicContact CZ-CD1 4.48Å; I764-I769 HydrophobicContact CB-CD1 4.17Å; I764-I769 HydrophobicContact CG2-CD1 4.01Å; R767-I769 PolarHBondContact O-N 2.81Å; I769-V771 HydrophobicContact CG2-CG1 4.36Å; I769-T778 WeakPolarHBondContact O-CA 3.34Å; I769-V779 HydrophobicContact CG2-CG2 3.81Å; I769-V779 PolarHBondContact N-O 3.43Å; I769-V779 PolarHBondContact O-N 2.95Å; I769-P781 HydrophobicContact CB-CG 4.46Å; I769-P781 HydrophobicContact CG2-CG 3.58Å; I769-L969 HydrophobicContact CD1-CD2 4.08Å; I769-L969 HydrophobicContact CD1-CG 4.49Å; I769-L970 WeakPolarHBondContact CG1-O 3.2Å |
| 770 | R | 87.7 | Confident | 85.6 | Confident | 34 Ų | 34 | 23.1 Ų | 23.1 | 13% | 0.128 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.8 | 172.7 | -87 | 170.5 | 176.9 | 165.1 | -9 | 111.8 | D710 C776 A777 L970 P974 | D710-R770 PolarHBondContact O-NH2 2.86Å; D710-R770 IonicContact OD1-CZ 3.17Å; D710-R770 VanDerWaalsContact OD1-CZ 3.3Å; D710-R770 IonicContact OD1-NH1 3.89Å; D710-R770 PolarHBondContact OD1-NH1 2.86Å; D710-R770 IonicContact OD1-NH2 2.79Å; D710-R770 PolarHBondContact OD1-NH2 2.83Å; R770-C776 HydrophobicContact CB-CB 4.3Å; R770-C776 HydrophobicContact CG-CB 4.21Å; R770-A777 WeakPolarHBondContact CA-O 3.39Å; R770-L970 HydrophobicContact CB-CB 4.01Å; R770-L970 HydrophobicContact CB-CD1 4.1Å; R770-L970 HydrophobicContact CB-CG 4.32Å; R770-L970 PolarHBondContact O-N 3.42Å; R770-P974 HydrophobicContact CG-CB 3.84Å; R770-P974 HydrophobicContact CG-CG 4.15Å |
| 771 | V | 85.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 176.5 | 176.4 | -66 | 0 | 0 | 0 | 0 | 111.4 | I769 C776 A777 V779 D964 L969 | I769-V771 HydrophobicContact CG2-CG1 4.36Å; V771-C776 CarbonylContact O-C 3.53Å; V771-C776 VanDerWaalsContact O-CA 3.3Å; V771-C776 WeakPolarHBondContact O-CA 3.27Å; V771-A777 WeakPolarHBondContact CG2-O 3.41Å; V771-A777 PolarHBondContact N-O 2.94Å; V771-A777 PolarHBondContact O-N 2.85Å; V771-V779 HydrophobicContact CB-CG2 4.22Å; V771-V779 HydrophobicContact CG1-CG2 3.52Å; V771-V779 HydrophobicContact CG2-CB 4.24Å; V771-V779 HydrophobicContact CG2-CG1 3.53Å; V771-V779 HydrophobicContact CG2-CG2 3.62Å; V771-D964 HydrophobicContact CB-CB 4.43Å; V771-D964 HydrophobicContact CG1-CB 4.29Å; V771-L969 HydrophobicContact CG1-CD1 3.67Å; V771-L969 HydrophobicContact CG1-CG 3.87Å |
| 772 | R | 77.8 | Confident | 86 | Confident | 55 Ų | 55 | 23.1 Ų | 23.1 | 21% | 0.208 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 70.3 | 28.6 | 170.1 | -60 | 179.9 | -77.6 | 165.5 | -10 | 116 | F775 R846 Y955 D964 | R772-F775 CarbonylContact O-C 3.56Å; R772-F775 PolarHBondContact O-N 2.9Å; R772-R846 PolarHBondContact O-NH1 3.15Å; R772-Y955 HydrophobicContact CG-CD1 4.48Å; R772-Y955 VanDerWaalsContact NH1-CE1 3.26Å; R772-D964 WeakPolarHBondContact CG-OD1 3.38Å |
| 773 | W | 83.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.4 | 142.3 | 174.8 | 173.8 | 95.9 | 0 | 0 | 0 | 114.2 | S714 L715 L718 F720 L743 M745 R846 I848 | S714-W773 PolarHBondContact O-NE1 3.4Å; L715-W773 HydrophobicContact CB-CZ2 3.98Å; L715-W773 HydrophobicContact CD2-CH2 3.96Å; L715-W773 HydrophobicContact CD2-CZ2 3.78Å; L715-W773 VanDerWaalsContact O-CZ2 3.32Å; L715-W773 WeakPolarHBondContact O-CZ2 3.38Å; L715-W773 PolarHBondContact O-NE1 3.33Å; L718-W773 HydrophobicContact CB-CZ2 4.49Å; L718-W773 HydrophobicContact CD1-CB 3.76Å; L718-W773 HydrophobicContact CD1-CD2 3.75Å; L718-W773 HydrophobicContact CD1-CE3 4.29Å; L718-W773 HydrophobicContact CD1-CG 3.49Å; L718-W773 VanDerWaalsContact CD1-CG 3.49Å; L718-W773 HydrophobicContact CG-CD2 4.36Å; L718-W773 HydrophobicContact CG-CG 4Å; F720-W773 HydrophobicContact CD1-CH2 4.41Å; F720-W773 HydrophobicContact CD1-CZ2 4.11Å; F720-W773 HydrophobicContact CE1-CZ2 4.26Å; L743-W773 HydrophobicContact CD1-CH2 3.82Å; M745-W773 HydrophobicContact CE-CH2 3.5Å; M745-W773 HydrophobicContact CE-CZ2 4.44Å; M745-W773 HydrophobicContact CE-CZ3 3.54Å; M745-W773 HydrophobicContact SD-CE3 4.1Å; M745-W773 HydrophobicContact SD-CH2 4.04Å; M745-W773 HydrophobicContact SD-CZ3 3.69Å; W773-R846 PolarHBondContact O-NH1 3.31Å; W773-I848 HydrophobicContact CE3-CD1 3.93Å; W773-I848 HydrophobicContact CZ3-CD1 3.54Å; W773-I848 HydrophobicContact CZ3-CG1 3.98Å |
| 774 | P | 84.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 16.8 Ų | 16.8 | 6% | 0.058 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -79.2 | -11.9 | -2.6 | 32.7 | -36.5 | 0 | 0 | 0 | 113.8 | P713 S714 L715 C776 | P713-P774 HydrophobicContact CB-CB 4.21Å; S714-P774 WeakPolarHBondContact O-CB 3.17Å; L715-P774 HydrophobicContact CD2-CB 4.27Å; L715-P774 HydrophobicContact CD2-CG 4.18Å; P774-C776 VanDerWaalsContact C-N 3.26Å; P774-C776 PolarHBondContact O-N 3.46Å; P774-C776 PolarHBondContact O-SG 2.75Å |
| 775 | F | 79.6 | Confident | 86.7 | Confident | 99 Ų | 99 | 16.6 Ų | 16.6 | 43% | 0.434 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -82 | 69 | -179.8 | -57 | -77.3 | 0 | 0 | 0 | 111 | Y205 P713 R772 | Y205-F775 AromaticContact CD2-CE1 3.74Å; Y205-F775 HydrophobicContact CD2-CE1 3.74Å; Y205-F775 HydrophobicContact CE2-CD1 4.27Å; Y205-F775 AromaticContact CE2-CE1 3.79Å; Y205-F775 HydrophobicContact CE2-CE1 3.79Å; P713-F775 HydrophobicContact CB-CD1 3.83Å; P713-F775 HydrophobicContact CB-CE1 3.91Å; P713-F775 HydrophobicContact CG-CD1 4.04Å; P713-F775 HydrophobicContact CG-CE1 3.8Å; R772-F775 CarbonylContact O-C 3.56Å; R772-F775 PolarHBondContact O-N 2.9Å |
| 776 | C | 79.9 | Confident | 86.5 | Confident | 34 Ų | 34 | 16.8 Ų | 16.8 | 23% | 0.23 | 8% | 0.082 | C | C | . | . | trans | -67.4 | 134.9 | -164.8 | -59.6 | 0 | 0 | 0 | 0 | 113 | R770 V771 P774 L970 | R770-C776 HydrophobicContact CB-CB 4.3Å; R770-C776 HydrophobicContact CG-CB 4.21Å; V771-C776 CarbonylContact O-C 3.53Å; V771-C776 VanDerWaalsContact O-CA 3.3Å; V771-C776 WeakPolarHBondContact O-CA 3.27Å; P774-C776 VanDerWaalsContact C-N 3.26Å; P774-C776 PolarHBondContact O-N 3.46Å; P774-C776 PolarHBondContact O-SG 2.75Å; C776-L970 HydrophobicContact CB-CD1 4.36Å; C776-L970 VanDerWaalsContact SG-CD1 3.53Å | ||
| 777 | A | 78.5 | Confident | 86.3 | Confident | 25 Ų | 25 | 19.7 Ų | 19.7 | 21% | 0.207 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 143.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R770 V771 | R770-A777 WeakPolarHBondContact CA-O 3.39Å; V771-A777 WeakPolarHBondContact CG2-O 3.41Å; V771-A777 PolarHBondContact N-O 2.94Å; V771-A777 PolarHBondContact O-N 2.85Å |
| 778 | T | 85.2 | Confident | 86 | Confident | 30 Ų | 30 | 19.1 Ų | 19.1 | 18% | 0.184 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125.9 | -177 | -51.4 | 0 | 0 | 0 | 0 | 112 | P768 I769 L879 F901 P974 W986 | P768-T778 HydrophobicContact CB-CG2 4.34Å; I769-T778 WeakPolarHBondContact O-CA 3.34Å; T778-L879 PolarHBondContact O-N 3.35Å; T778-F901 HydrophobicContact CG2-CE1 4.47Å; T778-P974 HydrophobicContact CG2-CG 4.03Å; T778-W986 HydrophobicContact CG2-CH2 3.89Å; T778-W986 HydrophobicContact CG2-CZ2 3.99Å |
| 779 | V | 87.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 172.8 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | P768 I769 V771 S876 R877 P878 | P768-V779 WeakPolarHBondContact CA-O 3.49Å; I769-V779 HydrophobicContact CG2-CG2 3.81Å; I769-V779 PolarHBondContact N-O 3.43Å; I769-V779 PolarHBondContact O-N 2.95Å; V771-V779 HydrophobicContact CB-CG2 4.22Å; V771-V779 HydrophobicContact CG1-CG2 3.52Å; V771-V779 HydrophobicContact CG2-CB 4.24Å; V771-V779 HydrophobicContact CG2-CG1 3.53Å; V771-V779 HydrophobicContact CG2-CG2 3.62Å; V779-S876 WeakPolarHBondContact CB-OG 3.3Å; V779-S876 WeakPolarHBondContact CG2-OG 3.22Å; V779-R877 CarbonylContact C-O 3.53Å; V779-R877 VanDerWaalsContact CA-O 3.27Å; V779-R877 WeakPolarHBondContact CA-O 3.35Å; V779-R877 WeakPolarHBondContact CB-O 3.16Å; V779-P878 HydrophobicContact CG1-CB 4.48Å |
| 780 | M | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 111.3 | 174.6 | -160.6 | -142.6 | 78.2 | 0 | 0 | 109.2 | G766 R767 V782 L793 P800 S876 R877 F901 | G766-M780 WeakPolarHBondContact O-CG 3.42Å; G766-M780 VanDerWaalsContact O-SD 3.35Å; R767-M780 WeakPolarHBondContact O-CG 3.27Å; M780-V782 HydrophobicContact CE-CG1 3.59Å; M780-L793 HydrophobicContact CE-CD1 4.05Å; M780-P800 HydrophobicContact SD-CB 4.45Å; M780-P800 HydrophobicContact SD-CG 4.4Å; M780-S876 WeakPolarHBondContact O-CA 3.42Å; M780-R877 PolarHBondContact N-O 3.01Å; M780-R877 PolarHBondContact O-N 3.5Å; M780-F901 HydrophobicContact CB-CD1 3.77Å; M780-F901 HydrophobicContact CB-CE1 3.81Å; M780-F901 HydrophobicContact CB-CG 4.17Å; M780-F901 HydrophobicContact CB-CZ 4.24Å |
| 781 | P | 92.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 141.2 | -179.4 | -24.7 | 37.6 | 0 | 0 | 0 | 112.8 | L765 G766 R767 I769 V874 F875 | L765-P781 HydrophobicContact CD2-CB 3.76Å; G766-P781 PolarHBondContact N-O 2.82Å; R767-P781 WeakPolarHBondContact O-CD 3.35Å; I769-P781 HydrophobicContact CB-CG 4.46Å; I769-P781 HydrophobicContact CG2-CG 3.58Å; P781-V874 HydrophobicContact CB-CG1 4.15Å; P781-V874 HydrophobicContact CG-CG1 4.36Å; P781-F875 WeakPolarHBondContact CA-O 3.36Å |
| 782 | V | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -23.9 | 178.9 | -60 | 0 | 0 | 0 | 0 | 113.9 | M780 E792 L793 F796 F875 R877 L961 | M780-V782 HydrophobicContact CE-CG1 3.59Å; V782-E792 WeakPolarHBondContact O-CA 3.22Å; V782-L793 HydrophobicContact CB-CD1 4.26Å; V782-L793 HydrophobicContact CG1-CD1 4.16Å; V782-L793 PolarHBondContact O-N 3.2Å; V782-F796 HydrophobicContact CB-CB 4.26Å; V782-F796 HydrophobicContact CB-CD1 4.12Å; V782-F796 HydrophobicContact CB-CG 4.14Å; V782-F796 HydrophobicContact CG1-CB 4.34Å; V782-F796 WeakPolarHBondContact CG1-O 3.39Å; V782-F796 HydrophobicContact CG2-CB 4.47Å; V782-F796 HydrophobicContact CG2-CD1 4.39Å; V782-F796 HydrophobicContact CG2-CD2 4.29Å; V782-F796 HydrophobicContact CG2-CG 4.14Å; V782-F875 HydrophobicContact CG2-CB 4.07Å; V782-F875 PolarHBondContact N-O 2.81Å; V782-R877 HydrophobicContact CG1-CG 4.11Å; V782-L961 HydrophobicContact CG2-CD1 3.77Å; V782-L961 HydrophobicContact CG2-CD2 3.76Å; V782-L961 HydrophobicContact CG2-CG 4.42Å |
| 783 | R | 91.7 | Very high | 87 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138.3 | 178.3 | 169.5 | 176.4 | 177.9 | 153.2 | -17.9 | 111.1 | M785 I790 W791 E792 F796 F875 G909 | R783-M785 PolarHBondContact NH2-SD 2.92Å; R783-I790 HydrophobicContact CG-CG2 4.02Å; R783-W791 CarbonylContact C-O 3.39Å; R783-W791 WeakPolarHBondContact CA-O 3.34Å; R783-E792 HydrophobicContact CB-CB 3.75Å; R783-E792 VanDerWaalsContact CD-OE2 3.32Å; R783-E792 WeakPolarHBondContact CD-OE2 3.48Å; R783-E792 HydrophobicContact CG-CB 3.88Å; R783-E792 IonicContact CZ-OE2 3.82Å; R783-E792 IonicContact NE-OE2 3.78Å; R783-E792 IonicContact NH1-OE2 3.43Å; R783-E792 PolarHBondContact NH1-OE2 3.05Å; R783-F796 HydrophobicContact CB-CZ 4.35Å; R783-F875 HydrophobicContact CB-CB 4.05Å; R783-F875 HydrophobicContact CB-CD2 4.18Å; R783-F875 HydrophobicContact CB-CG 4.32Å; R783-F875 HydrophobicContact CG-CD2 3.97Å; R783-F875 HydrophobicContact CG-CE2 4.46Å; R783-F875 PolarHBondContact O-N 2.9Å; R783-G909 PolarHBondContact NH1-O 2.76Å |
| 784 | L | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 143.5 | 167.3 | -49.3 | -177.1 | 0 | 0 | 0 | 108.5 | L757 A761 I764 L765 I790 W791 V872 L873 V874 | L757-L784 HydrophobicContact CD1-CB 4.41Å; L757-L784 HydrophobicContact CD1-CD1 3.75Å; L757-L784 HydrophobicContact CG-CD1 4.37Å; A761-L784 HydrophobicContact CB-CD1 3.93Å; I764-L784 HydrophobicContact CD1-CD1 4Å; I764-L784 HydrophobicContact CD1-CD2 3.94Å; I764-L784 HydrophobicContact CG1-CD1 4.26Å; I764-L784 HydrophobicContact CG1-CD2 4.47Å; L765-L784 HydrophobicContact CD2-CD2 4.1Å; L765-L784 HydrophobicContact CD2-CG 3.99Å; L765-L784 HydrophobicContact CG-CG 4.4Å; L784-I790 WeakPolarHBondContact O-CA 3.45Å; L784-W791 PolarHBondContact N-O 2.84Å; L784-W791 PolarHBondContact O-N 3.05Å; L784-V872 HydrophobicContact CB-CG1 4.28Å; L784-L873 WeakPolarHBondContact CA-O 3.22Å; L784-V874 HydrophobicContact CD2-CB 4.34Å; L784-V874 HydrophobicContact CD2-CG1 3.99Å; L784-V874 HydrophobicContact CD2-CG2 3.99Å |
| 785 | M | 89.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 117.5 | -177.4 | -173.7 | 149.3 | 82.5 | 0 | 0 | 110.7 | R783 I790 W830 I831 L873 F875 | R783-M785 PolarHBondContact NH2-SD 2.92Å; M785-I790 HydrophobicContact CB-CG1 4.49Å; M785-I790 HydrophobicContact CG-CG1 3.86Å; M785-I790 HydrophobicContact SD-CD1 3.95Å; M785-I790 HydrophobicContact SD-CG1 3.86Å; M785-W830 HydrophobicContact CE-CE3 4.09Å; M785-W830 HydrophobicContact CE-CZ3 3.67Å; M785-I831 HydrophobicContact CE-CD1 4.1Å; M785-I831 HydrophobicContact CE-CG1 3.59Å; M785-I831 HydrophobicContact CG-CD1 3.71Å; M785-I831 HydrophobicContact CG-CG1 3.96Å; M785-I831 HydrophobicContact SD-CD1 3.89Å; M785-I831 HydrophobicContact SD-CG1 4.07Å; M785-L873 HydrophobicContact CB-CB 4.38Å; M785-L873 HydrophobicContact CE-CD1 4.33Å; M785-L873 PolarHBondContact N-O 3.43Å; M785-L873 PolarHBondContact O-N 3.27Å; M785-F875 HydrophobicContact CB-CE2 4.31Å; M785-F875 HydrophobicContact CE-CE2 3.66Å; M785-F875 HydrophobicContact CE-CZ 3.73Å; M785-F875 HydrophobicContact SD-CE2 4.5Å |
| 786 | S | 86.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | trans | -100.2 | -173.6 | 169.5 | 79.6 | 0 | 0 | 0 | 0 | 110.1 | G788 E789 L818 | S786-G788 VanDerWaalsContact C-N 3.29Å; S786-G788 PolarHBondContact OG-N 3.32Å; S786-G788 VanDerWaalsContact OG-N 3.14Å; S786-E789 PolarHBondContact N-O 2.92Å; S786-E789 VanDerWaalsContact OG-CG 3.23Å; S786-E789 WeakPolarHBondContact OG-CG 3.34Å; S786-E789 PolarHBondContact OG-N 3.31Å; S786-E789 PolarHBondContact OG-O 2.94Å; S786-L818 WeakPolarHBondContact O-CD1 3.31Å | ||
| 787 | T | 82.9 | Confident | 87.5 | Confident | 62 Ų | 62 | 19.8 Ų | 19.8 | 38% | 0.38 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -72.5 | -18 | 171.8 | 46.8 | 0 | 0 | 0 | 0 | 113.9 | L828 I831 L835 | T787-L828 HydrophobicContact CG2-CD1 4.2Å; T787-I831 HydrophobicContact CG2-CG2 4.3Å; T787-L835 HydrophobicContact CG2-CD1 4.44Å |
| 788 | G | 81.3 | Confident | 87.7 | Confident | 37 Ų | 37 | 21.2 Ų | 21.2 | 38% | 0.381 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -118.7 | -17.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S786 L818 | S786-G788 VanDerWaalsContact C-N 3.29Å; S786-G788 PolarHBondContact OG-N 3.32Å; S786-G788 VanDerWaalsContact OG-N 3.14Å; G788-L818 PolarHBondContact O-N 3.49Å |
| 789 | E | 87.5 | Confident | 87.2 | Confident | 40 Ų | 40 | 24.7 Ų | 24.7 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.8 | -174.8 | 51.7 | 169.8 | 170.3 | 0 | 0 | 114.1 | L757 S786 W791 Y815 | L757-E789 WeakPolarHBondContact CB-OE1 3.09Å; L757-E789 HydrophobicContact CD2-CG 3.98Å; S786-E789 PolarHBondContact N-O 2.92Å; S786-E789 VanDerWaalsContact OG-CG 3.23Å; S786-E789 WeakPolarHBondContact OG-CG 3.34Å; S786-E789 PolarHBondContact OG-N 3.31Å; S786-E789 PolarHBondContact OG-O 2.94Å; E789-W791 PolarHBondContact OE2-NE1 3.49Å; E789-Y815 HydrophobicContact CB-CE2 3.77Å |
| 790 | I | 89.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.1 | 177.8 | -57 | 164.1 | 0 | 0 | 0 | 108.3 | R783 L784 M785 Y815 R816 L818 | R783-I790 HydrophobicContact CG-CG2 4.02Å; L784-I790 WeakPolarHBondContact O-CA 3.45Å; M785-I790 HydrophobicContact CB-CG1 4.49Å; M785-I790 HydrophobicContact CG-CG1 3.86Å; M785-I790 HydrophobicContact SD-CD1 3.95Å; M785-I790 HydrophobicContact SD-CG1 3.86Å; I790-Y815 CarbonylContact O-C 3.58Å; I790-Y815 WeakPolarHBondContact O-CA 3.49Å; I790-R816 HydrophobicContact CB-CB 4.27Å; I790-R816 PolarHBondContact N-O 2.74Å; I790-R816 PolarHBondContact O-N 2.77Å; I790-L818 HydrophobicContact CD1-CD1 4.01Å; I790-L818 HydrophobicContact CD1-CG 4.15Å; I790-L818 HydrophobicContact CG1-CD1 3.79Å; I790-L818 HydrophobicContact CG1-CG 4.38Å |
| 791 | W | 91.6 | Very high | 86.1 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.4 | 172.7 | -71.7 | 85 | 0 | 0 | 0 | 109.2 | A761 R783 L784 E789 R814 Y815 | A761-W791 HydrophobicContact CB-CB 3.64Å; A761-W791 HydrophobicContact CB-CD2 4.17Å; A761-W791 HydrophobicContact CB-CE3 4.19Å; A761-W791 HydrophobicContact CB-CG 3.96Å; R783-W791 CarbonylContact C-O 3.39Å; R783-W791 WeakPolarHBondContact CA-O 3.34Å; L784-W791 PolarHBondContact N-O 2.84Å; L784-W791 PolarHBondContact O-N 3.05Å; E789-W791 PolarHBondContact OE2-NE1 3.49Å; W791-R814 WeakPolarHBondContact CA-O 3.41Å; W791-Y815 HydrophobicContact CD2-CD2 4.05Å; W791-Y815 AromaticContact CE2-CD2 3.43Å; W791-Y815 VanDerWaalsContact CE2-CD2 3.43Å; W791-Y815 HydrophobicContact CH2-CD2 4.21Å; W791-Y815 HydrophobicContact CH2-CG 4.44Å; W791-Y815 AromaticContact CZ2-CD2 3.51Å; W791-Y815 HydrophobicContact CZ2-CD2 3.51Å; W791-Y815 HydrophobicContact CZ2-CE2 4.05Å; W791-Y815 HydrophobicContact CZ2-CG 4.16Å; W791-Y815 AromaticContact NE1-CD2 3.59Å; W791-Y815 AromaticContact NE1-CE2 3.85Å |
| 792 | E | 91.7 | Very high | 85 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157.4 | -174.1 | 71.3 | -179.5 | -163.3 | 0 | 0 | 114.1 | V782 R783 F796 L813 R814 G909 | V782-E792 WeakPolarHBondContact O-CA 3.22Å; R783-E792 HydrophobicContact CB-CB 3.75Å; R783-E792 VanDerWaalsContact CD-OE2 3.32Å; R783-E792 WeakPolarHBondContact CD-OE2 3.48Å; R783-E792 HydrophobicContact CG-CB 3.88Å; R783-E792 IonicContact CZ-OE2 3.82Å; R783-E792 IonicContact NE-OE2 3.78Å; R783-E792 IonicContact NH1-OE2 3.43Å; R783-E792 PolarHBondContact NH1-OE2 3.05Å; E792-F796 HydrophobicContact CB-CE1 3.98Å; E792-F796 HydrophobicContact CG-CE1 4.31Å; E792-L813 CarbonylContact O-C 3.39Å; E792-L813 WeakPolarHBondContact O-CA 3.27Å; E792-R814 HydrophobicContact CG-CB 3.93Å; E792-R814 HydrophobicContact CG-CG 4.45Å; E792-R814 PolarHBondContact N-O 3.47Å; E792-R814 PolarHBondContact O-N 3.33Å; E792-R814 WeakPolarHBondContact OE1-CD 3.41Å; E792-R814 IonicContact OE1-CZ 3.45Å; E792-R814 IonicContact OE1-NE 3.38Å; E792-R814 IonicContact OE1-NH1 2.74Å; E792-R814 PolarHBondContact OE1-NH1 3.06Å; E792-G909 WeakPolarHBondContact OE1-CA 3.31Å; E792-G909 PolarHBondContact OE1-N 3.44Å; E792-G909 WeakPolarHBondContact OE2-CA 3.33Å |
| 793 | L | 90.3 | Very high | 83.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.2 | 168.5 | -64.2 | 174.7 | 0 | 0 | 0 | 110.2 | L765 M780 V782 D795 F796 L808 S812 L813 | L765-L793 HydrophobicContact CB-CD2 4.01Å; L765-L793 HydrophobicContact CB-CG 4.24Å; M780-L793 HydrophobicContact CE-CD1 4.05Å; V782-L793 HydrophobicContact CB-CD1 4.26Å; V782-L793 HydrophobicContact CG1-CD1 4.16Å; V782-L793 PolarHBondContact O-N 3.2Å; L793-D795 VanDerWaalsContact C-N 3.26Å; L793-D795 WeakPolarHBondContact CB-O 3.47Å; L793-D795 PolarHBondContact O-N 2.6Å; L793-F796 HydrophobicContact CB-CD1 4.44Å; L793-F796 WeakPolarHBondContact O-CD1 3.39Å; L793-F796 WeakPolarHBondContact O-CE1 3.22Å; L793-L808 HydrophobicContact CD2-CD2 4.2Å; L793-S812 WeakPolarHBondContact CA-O 3.49Å; L793-L813 HydrophobicContact CD2-CD2 4.01Å |
| 794 | V | 87.6 | Confident | 81.7 | Confident | 76 Ų | 76 | 41.3 Ų | 41.3 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -64.7 | -29.1 | 177.4 | 171 | 0 | 0 | 0 | 0 | 112.7 | E811 S812 R814 | V794-E811 WeakPolarHBondContact CG2-O 3.36Å; V794-S812 PolarHBondContact N-O 3.25Å; V794-R814 HydrophobicContact CG2-CB 4.1Å |
| 795 | D | 85 | Confident | 79.6 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -126.8 | 120.4 | 162.8 | 166.9 | 27.8 | 0 | 0 | 0 | 109.1 | L793 N797 V798 Q907 | L793-D795 VanDerWaalsContact C-N 3.26Å; L793-D795 WeakPolarHBondContact CB-O 3.47Å; L793-D795 PolarHBondContact O-N 2.6Å; D795-N797 PolarHBondContact O-N 3.07Å; D795-N797 WeakPolarHBondContact OD1-CA 3.43Å; D795-N797 WeakPolarHBondContact OD1-CB 3.44Å; D795-N797 PolarHBondContact OD1-N 2.8Å; D795-V798 HydrophobicContact CB-CG2 3.79Å; D795-V798 VanDerWaalsContact O-CG2 3.25Å; D795-V798 WeakPolarHBondContact O-CG2 3.34Å; D795-V798 PolarHBondContact OD2-N 2.69Å; D795-Q907 WeakPolarHBondContact CA-O 3.37Å |
| 796 | F | 85.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.8 | 178.3 | -69.5 | -0.6 | 0 | 0 | 0 | 112.3 | V782 R783 E792 L793 R877 Q907 N908 L912 L961 | V782-F796 HydrophobicContact CB-CB 4.26Å; V782-F796 HydrophobicContact CB-CD1 4.12Å; V782-F796 HydrophobicContact CB-CG 4.14Å; V782-F796 HydrophobicContact CG1-CB 4.34Å; V782-F796 WeakPolarHBondContact CG1-O 3.39Å; V782-F796 HydrophobicContact CG2-CB 4.47Å; V782-F796 HydrophobicContact CG2-CD1 4.39Å; V782-F796 HydrophobicContact CG2-CD2 4.29Å; V782-F796 HydrophobicContact CG2-CG 4.14Å; R783-F796 HydrophobicContact CB-CZ 4.35Å; E792-F796 HydrophobicContact CB-CE1 3.98Å; E792-F796 HydrophobicContact CG-CE1 4.31Å; L793-F796 HydrophobicContact CB-CD1 4.44Å; L793-F796 WeakPolarHBondContact O-CD1 3.39Å; L793-F796 WeakPolarHBondContact O-CE1 3.22Å; F796-R877 PolarHBondContact O-NE 3.1Å; F796-R877 PolarHBondContact O-NH2 3.28Å; F796-Q907 PolarHBondContact N-O 3.13Å; F796-N908 VanDerWaalsContact CE2-C 3.49Å; F796-N908 WeakPolarHBondContact CE2-O 3.39Å; F796-L912 HydrophobicContact CE2-CD1 4.12Å; F796-L961 HydrophobicContact CD2-CD1 3.92Å; F796-L961 HydrophobicContact CE2-CD1 4.05Å |
| 797 | N | 80.7 | Confident | 75.9 | Confident | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 16.8 | -170.1 | -71.4 | -54.7 | 0 | 0 | 0 | 115.1 | D795 R903 S904 | D795-N797 PolarHBondContact O-N 3.07Å; D795-N797 WeakPolarHBondContact OD1-CA 3.43Å; D795-N797 WeakPolarHBondContact OD1-CB 3.44Å; D795-N797 PolarHBondContact OD1-N 2.8Å; N797-R903 HydrophobicContact CB-CG 4.42Å; N797-R903 PolarHBondContact O-NH2 3.24Å; N797-R903 WeakPolarHBondContact OD1-CA 3.45Å; N797-R903 WeakPolarHBondContact OD1-CB 3.47Å; N797-R903 WeakPolarHBondContact OD1-CG 3.35Å; N797-S904 PolarHBondContact ND2-O 3.45Å; N797-S904 PolarHBondContact OD1-N 3.01Å |
| 798 | V | 81.2 | Confident | 74.6 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -56 | 158.2 | 170.6 | 168.8 | 0 | 0 | 0 | 0 | 112.9 | D795 R877 | D795-V798 HydrophobicContact CB-CG2 3.79Å; D795-V798 VanDerWaalsContact O-CG2 3.25Å; D795-V798 WeakPolarHBondContact O-CG2 3.34Å; D795-V798 PolarHBondContact OD2-N 2.69Å; V798-R877 PolarHBondContact O-NH1 2.67Å; V798-R877 PolarHBondContact O-NH2 2.96Å |
| 799 | E | 75.4 | Confident | 73.4 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 149 | 174.3 | -64.2 | -172 | 171.1 | 0 | 0 | 111.8 | I801 Y1285 | E799-I801 PolarHBondContact O-N 3.38Å; E799-Y1285 WeakPolarHBondContact OE1-CE1 3.32Å; E799-Y1285 PolarHBondContact OE1-OH 3.08Å |
| 800 | P | 77.6 | Confident | 71.8 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -58 | 135.8 | -175.4 | -26.4 | 36.2 | 0 | 0 | 0 | 113.8 | P768 M780 I802 P899 F901 | P768-P800 HydrophobicContact CG-CB 4.31Å; M780-P800 HydrophobicContact SD-CB 4.45Å; M780-P800 HydrophobicContact SD-CG 4.4Å; P800-I802 HydrophobicContact CB-CD1 3.94Å; P800-I802 HydrophobicContact CB-CG1 4.18Å; P800-I802 WeakPolarHBondContact O-CD1 3.47Å; P800-P899 HydrophobicContact CG-CG 4.31Å; P800-F901 HydrophobicContact CB-CE2 4.23Å; P800-F901 HydrophobicContact CG-CD2 3.54Å; P800-F901 HydrophobicContact CG-CE2 3.52Å |
| 801 | I | 76.6 | Confident | 70.4 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.179 | 38% | 0.382 | C | S | . | . | trans | -91.1 | 110.7 | -179.4 | -55.2 | -179.1 | 0 | 0 | 0 | 108.4 | G766 R767 E799 L808 | G766-I801 PolarHBondContact O-N 3.32Å; R767-I801 HydrophobicContact CG-CB 4.23Å; R767-I801 HydrophobicContact CG-CG2 4.48Å; R767-I801 WeakPolarHBondContact CG-O 3.46Å; E799-I801 PolarHBondContact O-N 3.38Å; I801-L808 HydrophobicContact CD1-CD1 3.84Å; I801-L808 HydrophobicContact CD1-CD2 3.89Å; I801-L808 HydrophobicContact CD1-CG 3.71Å; I801-L808 HydrophobicContact CG2-CD1 4.15Å | ||
| 802 | I | 68.8 | Low | 69.6 | Low | 29 Ų | 29 | 67.6 Ų | 67.6 | 15% | 0.149 | 39% | 0.386 | C | S | . | . | trans | -120.7 | -23.7 | -164.8 | -67.2 | 148.8 | 0 | 0 | 0 | 113.1 | P800 P804 W986 Y988 | P800-I802 HydrophobicContact CB-CD1 3.94Å; P800-I802 HydrophobicContact CB-CG1 4.18Å; P800-I802 WeakPolarHBondContact O-CD1 3.47Å; I802-P804 WeakPolarHBondContact O-CD 3.49Å; I802-W986 HydrophobicContact CD1-CB 4.36Å; I802-W986 WeakPolarHBondContact CD1-O 3.46Å; I802-W986 HydrophobicContact CG1-CB 4.17Å; I802-W986 HydrophobicContact CG2-CB 3.65Å; I802-Y988 HydrophobicContact CD1-CE1 3.89Å; I802-Y988 HydrophobicContact CD1-CE2 4.37Å; I802-Y988 VanDerWaalsContact CD1-OH 3.23Å; I802-Y988 WeakPolarHBondContact CD1-OH 3.45Å | ||
| 803 | K | 63.1 | Low | 69.2 | Low | 148 Ų | 148 | 68.6 Ų | 68.6 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | trans | -74.5 | 125.4 | 179.5 | -69.5 | -175.4 | 179.1 | 179.5 | 0 | 109.9 | S805 | K803-S805 PolarHBondContact O-N 3.31Š| ||
| 804 | P | 52.2 | Low | 69 | Low | 123 Ų | 123 | 72.1 Ų | 72.1 | 80% | 0.799 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.1 | 178.5 | 33.6 | -37.1 | 0 | 0 | 0 | 113.5 | I802 | I802-P804 WeakPolarHBondContact O-CD 3.49Š|
| 805 | S | 47.4 | Very low | 69 | Low | 108 Ų | 108 | 74.2 Ų | 74.2 | 76% | 0.755 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 30.8 | -169.1 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | K803 | K803-S805 PolarHBondContact O-N 3.31Š|
| 806 | S | 47.3 | Very low | 69 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -143.6 | 118.5 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 807 | D | 50.3 | Low | 68.8 | Low | 150 Ų | 150 | 77 Ų | 77 | 80% | 0.802 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 148.5 | 169.3 | -45.3 | -57.1 | 0 | 0 | 0 | 109.1 | P809 | D807-P809 WeakPolarHBondContact O-CD 3.45Å; D807-P809 VanDerWaalsContact O-N 3.17Å |
| 808 | L | 55.8 | Low | 68.4 | Low | 17 Ų | 17 | 77.2 Ų | 77.2 | 9% | 0.089 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.6 | 164.9 | -90.8 | 70.6 | 0 | 0 | 0 | 106.2 | L793 I801 S810 L813 | L793-L808 HydrophobicContact CD2-CD2 4.2Å; I801-L808 HydrophobicContact CD1-CD1 3.84Å; I801-L808 HydrophobicContact CD1-CD2 3.89Å; I801-L808 HydrophobicContact CD1-CG 3.71Å; I801-L808 HydrophobicContact CG2-CD1 4.15Å; L808-S810 PolarHBondContact O-N 2.85Å; L808-S810 VanDerWaalsContact O-N 3.13Å; L808-L813 HydrophobicContact CD2-CD1 4.01Å; L808-L813 HydrophobicContact CD2-CD2 4.13Å; L808-L813 HydrophobicContact CD2-CG 3.9Å |
| 809 | P | 55.8 | Low | 67.4 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 126.8 | 175.6 | 22.3 | -28.4 | 0 | 0 | 0 | 106.9 | D807 E811 S812 | D807-P809 WeakPolarHBondContact O-CD 3.45Å; D807-P809 VanDerWaalsContact O-N 3.17Å; P809-E811 PolarHBondContact O-N 2.98Å; P809-S812 WeakPolarHBondContact CG-OG 3.44Å; P809-S812 VanDerWaalsContact O-CB 3.25Å; P809-S812 WeakPolarHBondContact O-CB 3.38Å; P809-S812 PolarHBondContact O-N 3.23Å; P809-S812 PolarHBondContact O-OG 3.34Å |
| 810 | S | 54.3 | Low | 66.4 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -58.1 | -19.5 | -157.6 | -45.3 | 0 | 0 | 0 | 0 | 114.8 | L808 S812 | L808-S810 PolarHBondContact O-N 2.85Å; L808-S810 VanDerWaalsContact O-N 3.13Å; S810-S812 PolarHBondContact O-N 2.97Å |
| 811 | E | 61.2 | Low | 65.2 | Low | 179 Ų | 179 | 82.6 Ų | 82.6 | 84% | 0.836 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -65.9 | -8.4 | 170.6 | -55.1 | -179.8 | 162.7 | 0 | 0 | 114.3 | V794 P809 | V794-E811 WeakPolarHBondContact CG2-O 3.36Å; P809-E811 PolarHBondContact O-N 2.98Å |
| 812 | S | 73.9 | Confident | 64.2 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 26% | 0.259 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -84.1 | -19.9 | -177.6 | -51.5 | 0 | 0 | 0 | 0 | 113.8 | L793 V794 P809 S810 | L793-S812 WeakPolarHBondContact CA-O 3.49Å; V794-S812 PolarHBondContact N-O 3.25Å; P809-S812 WeakPolarHBondContact CG-OG 3.44Å; P809-S812 VanDerWaalsContact O-CB 3.25Å; P809-S812 WeakPolarHBondContact O-CB 3.38Å; P809-S812 PolarHBondContact O-N 3.23Å; P809-S812 PolarHBondContact O-OG 3.34Å; S810-S812 PolarHBondContact O-N 2.97Å |
| 813 | L | 83.7 | Confident | 63.6 | Low | 26 Ų | 26 | 95.3 Ų | 95.3 | 14% | 0.136 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.6 | -174.4 | -73.5 | 173.1 | 0 | 0 | 0 | 111.2 | E762 L765 E792 L793 L808 | E762-L813 HydrophobicContact CB-CD1 4.33Å; E762-L813 HydrophobicContact CG-CD1 3.53Å; L765-L813 HydrophobicContact CB-CD2 4.16Å; L765-L813 HydrophobicContact CD1-CD2 3.61Å; L765-L813 HydrophobicContact CG-CD2 4.49Å; E792-L813 CarbonylContact O-C 3.39Å; E792-L813 WeakPolarHBondContact O-CA 3.27Å; L793-L813 HydrophobicContact CD2-CD2 4.01Å; L808-L813 HydrophobicContact CD2-CD1 4.01Å; L808-L813 HydrophobicContact CD2-CD2 4.13Å; L808-L813 HydrophobicContact CD2-CG 3.9Å |
| 814 | R | 85.7 | Confident | 63.4 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.5 | 179.6 | -176 | -177 | -175.6 | -147.2 | 12.9 | 109.5 | W791 E792 V794 D910 | W791-R814 WeakPolarHBondContact CA-O 3.41Å; E792-R814 HydrophobicContact CG-CB 3.93Å; E792-R814 HydrophobicContact CG-CG 4.45Å; E792-R814 PolarHBondContact N-O 3.47Å; E792-R814 PolarHBondContact O-N 3.33Å; E792-R814 WeakPolarHBondContact OE1-CD 3.41Å; E792-R814 IonicContact OE1-CZ 3.45Å; E792-R814 IonicContact OE1-NE 3.38Å; E792-R814 IonicContact OE1-NH1 2.74Å; E792-R814 PolarHBondContact OE1-NH1 3.06Å; V794-R814 HydrophobicContact CG2-CB 4.1Å; R814-D910 IonicContact CZ-OD1 2.82Å; R814-D910 IonicContact CZ-OD2 2.78Å; R814-D910 VanDerWaalsContact NH1-CG 3.3Å; R814-D910 IonicContact NH1-OD1 2.74Å; R814-D910 PolarHBondContact NH1-OD1 3.42Å; R814-D910 IonicContact NH1-OD2 3Å; R814-D910 PolarHBondContact NH1-OD2 2.95Å; R814-D910 VanDerWaalsContact NH2-CG 3.28Å; R814-D910 IonicContact NH2-OD1 3.58Å; R814-D910 PolarHBondContact NH2-OD1 3.16Å; R814-D910 IonicContact NH2-OD2 2.97Å; R814-D910 PolarHBondContact NH2-OD2 3.3Å |
| 815 | Y | 87.5 | Confident | 64 | Low | 120 Ų | 120 | 88.4 Ų | 88.4 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140.8 | 171.5 | 171.2 | -108.6 | 0 | 0 | 0 | 110.2 | E789 I790 W791 P817 | E789-Y815 HydrophobicContact CB-CE2 3.77Å; I790-Y815 CarbonylContact O-C 3.58Å; I790-Y815 WeakPolarHBondContact O-CA 3.49Å; W791-Y815 HydrophobicContact CD2-CD2 4.05Å; W791-Y815 AromaticContact CE2-CD2 3.43Å; W791-Y815 VanDerWaalsContact CE2-CD2 3.43Å; W791-Y815 HydrophobicContact CH2-CD2 4.21Å; W791-Y815 HydrophobicContact CH2-CG 4.44Å; W791-Y815 AromaticContact CZ2-CD2 3.51Å; W791-Y815 HydrophobicContact CZ2-CD2 3.51Å; W791-Y815 HydrophobicContact CZ2-CE2 4.05Å; W791-Y815 HydrophobicContact CZ2-CG 4.16Å; W791-Y815 AromaticContact NE1-CD2 3.59Å; W791-Y815 AromaticContact NE1-CE2 3.85Å; Y815-P817 HydrophobicContact CE1-CB 4.34Å; Y815-P817 HydrophobicContact CE1-CG 4.28Å |
| 816 | R | 84.6 | Confident | 65.3 | Low | 63 Ų | 63 | 88 Ų | 88 | 24% | 0.238 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 120.3 | 169.2 | -164.2 | 179.7 | 85.7 | -171 | 5.6 | 110.6 | I790 E827 | I790-R816 HydrophobicContact CB-CB 4.27Å; I790-R816 PolarHBondContact N-O 2.74Å; I790-R816 PolarHBondContact O-N 2.77Å; R816-E827 IonicContact CZ-OE1 3.73Å; R816-E827 IonicContact CZ-OE2 3.88Å; R816-E827 IonicContact NH1-OE1 3.18Å; R816-E827 IonicContact NH2-OE1 3.25Å; R816-E827 PolarHBondContact NH2-OE1 3.47Å; R816-E827 IonicContact NH2-OE2 3.76Å; R816-E827 PolarHBondContact NH2-OE2 2.93Å |
| 817 | P | 81.1 | Confident | 66.7 | Low | 56 Ų | 56 | 87.2 Ų | 87.2 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 144.5 | 172.6 | 30.7 | -33.1 | 0 | 0 | 0 | 111.2 | Y815 | Y815-P817 HydrophobicContact CE1-CB 4.34Å; Y815-P817 HydrophobicContact CE1-CG 4.28Å |
| 818 | L | 72.8 | Confident | 68.1 | Low | 23 Ų | 23 | 82.4 Ų | 82.4 | 12% | 0.12 | 44% | 0.437 | C | S | . | . | trans | -93 | 93.7 | 168.1 | -79.7 | 140.2 | 0 | 0 | 0 | 108.7 | S786 G788 I790 E827 I831 | S786-L818 WeakPolarHBondContact O-CD1 3.31Å; G788-L818 PolarHBondContact O-N 3.49Å; I790-L818 HydrophobicContact CD1-CD1 4.01Å; I790-L818 HydrophobicContact CD1-CG 4.15Å; I790-L818 HydrophobicContact CG1-CD1 3.79Å; I790-L818 HydrophobicContact CG1-CG 4.38Å; L818-E827 HydrophobicContact CD2-CB 4.2Å; L818-I831 HydrophobicContact CD1-CD1 3.71Å; L818-I831 HydrophobicContact CD2-CD1 4.04Å | ||
| 819 | L | 60.7 | Low | 69.2 | Low | 120 Ų | 120 | 86.6 Ų | 86.6 | 63% | 0.628 | 46% | 0.459 | S | S | * | . | trans | -86.4 | 139.6 | 173.9 | -69.7 | 168 | 0 | 0 | 0 | 110.5 | S821 N824 | L819-S821 PolarHBondContact O-N 2.98Å; L819-S821 PolarHBondContact O-OG 2.99Å; L819-N824 WeakPolarHBondContact O-CB 3.5Å; L819-N824 PolarHBondContact O-ND2 3.33Å | ||
| 820 | S | 54.7 | Low | 70.5 | Confident | 113 Ų | 113 | 82.6 Ų | 82.6 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | trans | -76.4 | 40 | -177.1 | 49 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 821 | S | 52.7 | Low | 71.9 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -72.8 | 148.5 | 167.3 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | L819 D823 N824 | L819-S821 PolarHBondContact O-N 2.98Å; L819-S821 PolarHBondContact O-OG 2.99Å; S821-D823 PolarHBondContact O-N 2.99Å; S821-N824 PolarHBondContact O-N 2.69Å; S821-N824 PolarHBondContact OG-ND2 3.44Å; S821-N824 VanDerWaalsContact OG-ND2 3.16Å | ||
| 822 | E | 55.3 | Low | 72.9 | Confident | 178 Ų | 178 | 72.3 Ų | 72.3 | 83% | 0.832 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -52.2 | -34.4 | -172.3 | -63.2 | -172.2 | 143.1 | 0 | 0 | 114.3 | N824 N825 | E822-N824 PolarHBondContact O-N 2.96Å; E822-N825 WeakPolarHBondContact CA-ND2 3.2Å; E822-N825 PolarHBondContact O-ND2 3.33Å |
| 823 | D | 55.8 | Low | 73.3 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 82% | 0.818 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -68.1 | -27.6 | 178.5 | -63.8 | -53.8 | 0 | 0 | 0 | 114.5 | S821 | S821-D823 PolarHBondContact O-N 2.99Š|
| 824 | N | 58.9 | Low | 73.2 | Confident | 51 Ų | 51 | 73 Ų | 73 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -87.2 | -10.8 | -173.1 | -72.8 | -15.3 | 0 | 0 | 0 | 113.8 | L819 S821 E822 H826 E827 L828 | L819-N824 WeakPolarHBondContact O-CB 3.5Å; L819-N824 PolarHBondContact O-ND2 3.33Å; S821-N824 PolarHBondContact O-N 2.69Å; S821-N824 PolarHBondContact OG-ND2 3.44Å; S821-N824 VanDerWaalsContact OG-ND2 3.16Å; E822-N824 PolarHBondContact O-N 2.96Å; N824-H826 PolarHBondContact O-N 2.99Å; N824-H826 VanDerWaalsContact O-N 3.09Å; N824-E827 PolarHBondContact O-N 3.19Å; N824-L828 PolarHBondContact O-N 3.4Å |
| 825 | N | 65.9 | Low | 73.1 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.2 | -36.4 | -174.4 | -73.1 | -46.5 | 0 | 0 | 0 | 113 | E822 E827 L828 D829 | E822-N825 WeakPolarHBondContact CA-ND2 3.2Å; E822-N825 PolarHBondContact O-ND2 3.33Å; N825-E827 VanDerWaalsContact C-N 3.34Å; N825-E827 PolarHBondContact O-N 3.28Å; N825-L828 PolarHBondContact O-N 3.27Å; N825-D829 WeakPolarHBondContact O-CB 3.29Å; N825-D829 VanDerWaalsContact O-CG 3.3Å; N825-D829 PolarHBondContact O-N 3.11Å |
| 826 | H | 74.4 | Confident | 72.9 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 179.4 | -174.7 | -77.2 | 0 | 0 | 0 | 113.6 | N824 W830 L914 N916 | N824-H826 PolarHBondContact O-N 2.99Å; N824-H826 VanDerWaalsContact O-N 3.09Å; H826-W830 WeakPolarHBondContact O-CB 3.16Å; H826-W830 PolarHBondContact O-N 3.38Å; H826-W830 VanDerWaalsContact O-N 3.13Å; H826-L914 PolarHBondContact CE1-O 3.26Å; H826-N916 PolarHBondContact NE2-ND2 3.3Å |
| 827 | E | 76.8 | Confident | 72.7 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.8 | -40.5 | 176.2 | -66.8 | -168.9 | 134.4 | 0 | 0 | 111.3 | R816 L818 N824 N825 W830 I831 L914 | R816-E827 IonicContact CZ-OE1 3.73Å; R816-E827 IonicContact CZ-OE2 3.88Å; R816-E827 IonicContact NH1-OE1 3.18Å; R816-E827 IonicContact NH2-OE1 3.25Å; R816-E827 PolarHBondContact NH2-OE1 3.47Å; R816-E827 IonicContact NH2-OE2 3.76Å; R816-E827 PolarHBondContact NH2-OE2 2.93Å; L818-E827 HydrophobicContact CD2-CB 4.2Å; N824-E827 PolarHBondContact O-N 3.19Å; N825-E827 VanDerWaalsContact C-N 3.34Å; N825-E827 PolarHBondContact O-N 3.28Å; E827-W830 WeakPolarHBondContact O-CB 3.27Å; E827-W830 PolarHBondContact O-N 3.43Å; E827-I831 WeakPolarHBondContact O-CD1 3.42Å; E827-I831 VanDerWaalsContact O-CG1 3.26Å; E827-I831 WeakPolarHBondContact O-CG1 3.08Å; E827-I831 PolarHBondContact O-N 3.43Å; E827-L914 HydrophobicContact CG-CD1 3.98Å |
| 828 | L | 79.6 | Confident | 72.8 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 178.6 | -175.6 | 58.9 | 0 | 0 | 0 | 111.7 | T787 N824 N825 W830 I831 N832 | T787-L828 HydrophobicContact CG2-CD1 4.2Å; N824-L828 PolarHBondContact O-N 3.4Å; N825-L828 PolarHBondContact O-N 3.27Å; L828-W830 VanDerWaalsContact C-N 3.29Å; L828-W830 PolarHBondContact O-N 3.17Å; L828-I831 PolarHBondContact O-N 2.87Å; L828-N832 WeakPolarHBondContact O-CB 3.36Å; L828-N832 VanDerWaalsContact O-CG 3.24Å; L828-N832 PolarHBondContact O-N 3.24Å; L828-N832 PolarHBondContact O-ND2 2.76Å |
| 829 | D | 78.7 | Confident | 73.4 | Confident | 105 Ų | 105 | 63.3 Ų | 63.3 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.2 | -41.3 | 171.4 | -76.1 | -22.4 | 0 | 0 | 0 | 111.4 | N825 S833 | N825-D829 WeakPolarHBondContact O-CB 3.29Å; N825-D829 VanDerWaalsContact O-CG 3.3Å; N825-D829 PolarHBondContact O-N 3.11Å; D829-S833 VanDerWaalsContact O-CB 3.3Å; D829-S833 WeakPolarHBondContact O-CB 3.41Å; D829-S833 PolarHBondContact O-N 3.28Å |
| 830 | W | 83.2 | Confident | 74.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.019 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 176.4 | -170.9 | 98.7 | 0 | 0 | 0 | 111.7 | M785 H826 E827 L828 N832 S833 Q834 L873 F875 L914 S915 L963 | M785-W830 HydrophobicContact CE-CE3 4.09Å; M785-W830 HydrophobicContact CE-CZ3 3.67Å; H826-W830 WeakPolarHBondContact O-CB 3.16Å; H826-W830 PolarHBondContact O-N 3.38Å; H826-W830 VanDerWaalsContact O-N 3.13Å; E827-W830 WeakPolarHBondContact O-CB 3.27Å; E827-W830 PolarHBondContact O-N 3.43Å; L828-W830 VanDerWaalsContact C-N 3.29Å; L828-W830 PolarHBondContact O-N 3.17Å; W830-N832 PolarHBondContact O-N 2.95Å; W830-S833 PolarHBondContact O-N 3.2Å; W830-Q834 HydrophobicContact CD2-CG 3.8Å; W830-Q834 HydrophobicContact CE3-CG 3.61Å; W830-Q834 HydrophobicContact CH2-CG 3.74Å; W830-Q834 HydrophobicContact CZ2-CG 3.9Å; W830-Q834 HydrophobicContact CZ3-CG 3.57Å; W830-Q834 WeakPolarHBondContact O-CG 3.46Å; W830-Q834 PolarHBondContact O-N 3.08Å; W830-L873 HydrophobicContact CZ3-CD1 4.48Å; W830-F875 HydrophobicContact CH2-CE1 4.3Å; W830-F875 AromaticContact CH2-CZ 3.92Å; W830-F875 HydrophobicContact CH2-CZ 3.92Å; W830-F875 AromaticContact CZ3-CZ 3.98Å; W830-F875 HydrophobicContact CZ3-CZ 3.98Å; W830-L914 HydrophobicContact CD2-CD2 3.88Å; W830-L914 HydrophobicContact CE3-CD2 3.76Å; W830-L914 HydrophobicContact CH2-CD2 3.47Å; W830-L914 VanDerWaalsContact CH2-CD2 3.47Å; W830-L914 HydrophobicContact CZ2-CD2 3.61Å; W830-L914 HydrophobicContact CZ3-CD2 3.57Å; W830-S915 PolarHBondContact NE1-O 2.9Å; W830-L963 HydrophobicContact CH2-CD2 3.74Å; W830-L963 HydrophobicContact CZ3-CD2 4.18Å |
| 831 | I | 83.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.3 | -51.6 | 175.3 | -72.7 | 159.5 | 0 | 0 | 0 | 110.2 | M785 T787 L818 E827 L828 S833 Q834 L835 L873 | M785-I831 HydrophobicContact CE-CD1 4.1Å; M785-I831 HydrophobicContact CE-CG1 3.59Å; M785-I831 HydrophobicContact CG-CD1 3.71Å; M785-I831 HydrophobicContact CG-CG1 3.96Å; M785-I831 HydrophobicContact SD-CD1 3.89Å; M785-I831 HydrophobicContact SD-CG1 4.07Å; T787-I831 HydrophobicContact CG2-CG2 4.3Å; L818-I831 HydrophobicContact CD1-CD1 3.71Å; L818-I831 HydrophobicContact CD2-CD1 4.04Å; E827-I831 WeakPolarHBondContact O-CD1 3.42Å; E827-I831 VanDerWaalsContact O-CG1 3.26Å; E827-I831 WeakPolarHBondContact O-CG1 3.08Å; E827-I831 PolarHBondContact O-N 3.43Å; L828-I831 PolarHBondContact O-N 2.87Å; I831-S833 VanDerWaalsContact C-N 3.32Å; I831-S833 PolarHBondContact O-N 3.42Å; I831-Q834 PolarHBondContact O-N 3.02Å; I831-L835 HydrophobicContact CG2-CD1 3.71Å; I831-L835 HydrophobicContact CG2-CG 4.37Å; I831-L835 WeakPolarHBondContact O-CB 3.43Å; I831-L835 WeakPolarHBondContact O-CG 3.42Å; I831-L835 PolarHBondContact O-N 3.29Å; I831-L873 HydrophobicContact CG2-CD1 4.26Å |
| 832 | N | 83 | Confident | 77.5 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.6 | -70.1 | -28.6 | 0 | 0 | 0 | 111.7 | L828 W830 S836 | L828-N832 WeakPolarHBondContact O-CB 3.36Å; L828-N832 VanDerWaalsContact O-CG 3.24Å; L828-N832 PolarHBondContact O-N 3.24Å; L828-N832 PolarHBondContact O-ND2 2.76Å; W830-N832 PolarHBondContact O-N 2.95Å; N832-S836 WeakPolarHBondContact O-CB 3.22Å; N832-S836 PolarHBondContact O-N 3.18Å |
| 833 | S | 80.7 | Confident | 79.1 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 113.3 | D829 W830 I831 G837 | D829-S833 VanDerWaalsContact O-CB 3.3Å; D829-S833 WeakPolarHBondContact O-CB 3.41Å; D829-S833 PolarHBondContact O-N 3.28Å; W830-S833 PolarHBondContact O-N 3.2Å; I831-S833 VanDerWaalsContact C-N 3.32Å; I831-S833 PolarHBondContact O-N 3.42Å; S833-G837 PolarHBondContact O-N 2.52Å |
| 834 | Q | 81.4 | Confident | 80.5 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.1 | -43.6 | 176.3 | -62.9 | -54.4 | -40.9 | 0 | 0 | 111.3 | W830 I831 G837 L838 L873 L963 | W830-Q834 HydrophobicContact CD2-CG 3.8Å; W830-Q834 HydrophobicContact CE3-CG 3.61Å; W830-Q834 HydrophobicContact CH2-CG 3.74Å; W830-Q834 HydrophobicContact CZ2-CG 3.9Å; W830-Q834 HydrophobicContact CZ3-CG 3.57Å; W830-Q834 WeakPolarHBondContact O-CG 3.46Å; W830-Q834 PolarHBondContact O-N 3.08Å; I831-Q834 PolarHBondContact O-N 3.02Å; Q834-G837 PolarHBondContact O-N 3.32Å; Q834-L838 WeakPolarHBondContact O-CB 3.34Å; Q834-L838 WeakPolarHBondContact O-CG 3.3Å; Q834-L838 PolarHBondContact O-N 2.98Å; Q834-L873 HydrophobicContact CB-CD1 4.06Å; Q834-L873 HydrophobicContact CB-CD2 4.21Å; Q834-L963 HydrophobicContact CG-CD2 4.41Å |
| 835 | L | 84.6 | Confident | 81.6 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 175 | -74.8 | 170.4 | 0 | 0 | 0 | 111.2 | T787 I831 G837 L838 K839 L873 L965 | T787-L835 HydrophobicContact CG2-CD1 4.44Å; I831-L835 HydrophobicContact CG2-CD1 3.71Å; I831-L835 HydrophobicContact CG2-CG 4.37Å; I831-L835 WeakPolarHBondContact O-CB 3.43Å; I831-L835 WeakPolarHBondContact O-CG 3.42Å; I831-L835 PolarHBondContact O-N 3.29Å; L835-G837 PolarHBondContact O-N 2.78Å; L835-L838 PolarHBondContact O-N 3.29Å; L835-K839 WeakPolarHBondContact O-CB 3.33Å; L835-K839 WeakPolarHBondContact O-CG 3.4Å; L835-K839 PolarHBondContact O-N 2.87Å; L835-L873 HydrophobicContact CD2-CD2 3.75Å; L835-L873 HydrophobicContact CD2-CG 3.79Å; L835-L873 HydrophobicContact CG-CD1 4.35Å; L835-L873 HydrophobicContact CG-CD2 4.09Å; L835-L873 HydrophobicContact CG-CG 4.01Å; L835-L965 HydrophobicContact CD2-CD2 3.69Å |
| 836 | S | 83.1 | Confident | 82.6 | Confident | 75 Ų | 75 | 45 Ų | 45 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | N832 R840 | N832-S836 WeakPolarHBondContact O-CB 3.22Å; N832-S836 PolarHBondContact O-N 3.18Å; S836-R840 WeakPolarHBondContact O-CB 3.41Å; S836-R840 PolarHBondContact O-N 2.75Å |
| 837 | G | 80.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S833 Q834 L835 H841 | S833-G837 PolarHBondContact O-N 2.52Å; Q834-G837 PolarHBondContact O-N 3.32Å; L835-G837 PolarHBondContact O-N 2.78Å; G837-H841 WeakPolarHBondContact O-CB 3.48Å; G837-H841 PolarHBondContact O-N 2.7Å |
| 838 | L | 82.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -52.2 | 177.5 | -76 | 164.7 | 0 | 0 | 0 | 111.9 | Q834 L835 R840 H841 F842 L873 F919 L965 | Q834-L838 WeakPolarHBondContact O-CB 3.34Å; Q834-L838 WeakPolarHBondContact O-CG 3.3Å; Q834-L838 PolarHBondContact O-N 2.98Å; L835-L838 PolarHBondContact O-N 3.29Å; L838-R840 VanDerWaalsContact C-N 3.31Å; L838-R840 PolarHBondContact O-N 3.48Å; L838-H841 WeakPolarHBondContact O-CB 3.31Å; L838-H841 PolarHBondContact O-N 3.21Å; L838-F842 HydrophobicContact CD2-CE2 4.49Å; L838-F842 VanDerWaalsContact O-CD2 3.25Å; L838-F842 WeakPolarHBondContact O-CD2 3.25Å; L838-F842 PolarHBondContact O-N 3.21Å; L838-L873 HydrophobicContact CD1-CD2 3.65Å; L838-F919 HydrophobicContact CD2-CE2 3.74Å; L838-F919 HydrophobicContact CD2-CZ 3.66Å; L838-F919 HydrophobicContact CG-CE2 3.8Å; L838-F919 HydrophobicContact CG-CZ 4.13Å; L838-L965 HydrophobicContact CB-CD1 3.92Å; L838-L965 HydrophobicContact CB-CD2 4.06Å; L838-L965 HydrophobicContact CB-CG 3.98Å; L838-L965 HydrophobicContact CD1-CD2 3.92Å; L838-L965 HydrophobicContact CD1-CG 4.15Å |
| 839 | K | 86.1 | Confident | 84.7 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.5 | -45.8 | 177.8 | -71.4 | -174.4 | -177.1 | -176.4 | 0 | 110.7 | L835 H841 F842 E843 F850 D852 S871 L965 | L835-K839 WeakPolarHBondContact O-CB 3.33Å; L835-K839 WeakPolarHBondContact O-CG 3.4Å; L835-K839 PolarHBondContact O-N 2.87Å; K839-H841 PolarHBondContact O-N 3.06Å; K839-F842 PolarHBondContact O-N 3.25Å; K839-E843 WeakPolarHBondContact O-CB 3.4Å; K839-E843 PolarHBondContact O-N 3.3Å; K839-F850 HydrophobicContact CB-CD2 4.49Å; K839-F850 HydrophobicContact CG-CD2 3.95Å; K839-D852 IonicContact NZ-OD1 3.1Å; K839-D852 PolarHBondContact NZ-OD1 3.09Å; K839-D852 IonicContact NZ-OD2 2.81Å; K839-S871 PolarHBondContact NZ-OG 3.04Å; K839-L965 HydrophobicContact CG-CD1 4.16Å |
| 840 | R | 84.8 | Confident | 85 | Confident | 114 Ų | 114 | 34.6 Ų | 34.6 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 175.7 | -176.2 | 175.7 | 172.9 | 166.9 | -1.1 | 113.5 | S836 L838 K844 | S836-R840 WeakPolarHBondContact O-CB 3.41Å; S836-R840 PolarHBondContact O-N 2.75Å; L838-R840 VanDerWaalsContact C-N 3.31Å; L838-R840 PolarHBondContact O-N 3.48Å; R840-K844 HydrophobicContact CG-CG 4.14Å; R840-K844 WeakPolarHBondContact O-CB 3.49Å; R840-K844 WeakPolarHBondContact O-CG 3.48Å; R840-K844 PolarHBondContact O-N 3.39Å |
| 841 | H | 82.6 | Confident | 84.5 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 7% | 0.069 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -49.6 | 173 | 179.9 | 108.4 | 0 | 0 | 0 | 110.8 | G837 L838 K839 E843 K844 R845 | G837-H841 WeakPolarHBondContact O-CB 3.48Å; G837-H841 PolarHBondContact O-N 2.7Å; L838-H841 WeakPolarHBondContact O-CB 3.31Å; L838-H841 PolarHBondContact O-N 3.21Å; K839-H841 PolarHBondContact O-N 3.06Å; H841-E843 VanDerWaalsContact C-N 3.33Å; H841-E843 PolarHBondContact O-N 2.8Å; H841-K844 PolarHBondContact O-N 3.31Å; H841-R845 WeakPolarHBondContact O-CB 3.31Å; H841-R845 PolarHBondContact O-N 3.48Å |
| 842 | F | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 178 | -83.1 | -70.5 | 0 | 0 | 0 | 112.1 | L838 K839 R846 A847 I848 F850 A954 L965 V968 | L838-F842 HydrophobicContact CD2-CE2 4.49Å; L838-F842 VanDerWaalsContact O-CD2 3.25Å; L838-F842 WeakPolarHBondContact O-CD2 3.25Å; L838-F842 PolarHBondContact O-N 3.21Å; K839-F842 PolarHBondContact O-N 3.25Å; F842-R846 CarbonylContact O-C 3.57Å; F842-R846 WeakPolarHBondContact O-CA 3.4Å; F842-R846 WeakPolarHBondContact O-CB 3.42Å; F842-R846 PolarHBondContact O-N 3.38Å; F842-A847 PolarHBondContact O-N 2.84Å; F842-I848 CarbonylContact C-O 3.45Å; F842-I848 VanDerWaalsContact C-O 3.31Å; F842-I848 HydrophobicContact CB-CB 4.07Å; F842-I848 HydrophobicContact CB-CG2 4.23Å; F842-I848 HydrophobicContact CD1-CB 4.2Å; F842-I848 HydrophobicContact CD1-CD1 3.98Å; F842-I848 HydrophobicContact CD1-CG2 4.21Å; F842-I848 HydrophobicContact CE1-CD1 4.5Å; F842-I848 HydrophobicContact CG-CG2 4.48Å; F842-I848 PolarHBondContact O-N 2.87Å; F842-I848 VanDerWaalsContact O-N 3.07Å; F842-F850 HydrophobicContact CB-CE2 3.8Å; F842-F850 HydrophobicContact CB-CZ 4.48Å; F842-F850 AromaticContact CD2-CE2 3.92Å; F842-F850 HydrophobicContact CD2-CE2 3.92Å; F842-F850 HydrophobicContact CD2-CZ 4.08Å; F842-F850 AromaticContact CG-CE2 3.93Å; F842-F850 HydrophobicContact CG-CE2 3.93Å; F842-F850 HydrophobicContact CG-CZ 4.17Å; F842-A954 HydrophobicContact CE1-CB 4.39Å; F842-A954 HydrophobicContact CZ-CB 4.36Å; F842-L965 HydrophobicContact CD2-CD1 3.89Å; F842-L965 HydrophobicContact CE2-CD1 4.04Å; F842-L965 HydrophobicContact CE2-CG 4.44Å; F842-V968 HydrophobicContact CE1-CG1 4.24Å; F842-V968 HydrophobicContact CZ-CG1 4.32Å; F842-V968 HydrophobicContact CZ-CG2 3.99Å |
| 843 | E | 88.5 | Confident | 82 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -63.3 | 174.4 | -173.7 | -148.5 | 177.8 | 0 | 0 | 111.3 | I727 K839 H841 R845 A847 I848 L849 | I727-E843 HydrophobicContact CG2-CG 4.3Å; K839-E843 WeakPolarHBondContact O-CB 3.4Å; K839-E843 PolarHBondContact O-N 3.3Å; H841-E843 VanDerWaalsContact C-N 3.33Å; H841-E843 PolarHBondContact O-N 2.8Å; E843-R845 PolarHBondContact O-N 2.91Å; E843-A847 WeakPolarHBondContact O-CA 3.38Å; E843-A847 PolarHBondContact O-N 2.91Å; E843-I848 WeakPolarHBondContact CA-O 3.33Å; E843-I848 PolarHBondContact N-O 2.95Å; E843-I848 VanDerWaalsContact N-O 3.17Å; E843-L849 HydrophobicContact CB-CD2 4.31Å; E843-L849 HydrophobicContact CG-CD2 3.79Å |
| 844 | K | 85.6 | Confident | 80.3 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.7 | -10.5 | -169 | -56 | -55.6 | -169.5 | -159.3 | 0 | 114.5 | P728 V729 Y730 R840 H841 | P728-K844 HydrophobicContact CG-CD 4.26Å; V729-K844 WeakPolarHBondContact CA-O 3.49Å; Y730-K844 PolarHBondContact N-O 3.02Å; R840-K844 HydrophobicContact CG-CG 4.14Å; R840-K844 WeakPolarHBondContact O-CB 3.49Å; R840-K844 WeakPolarHBondContact O-CG 3.48Å; R840-K844 PolarHBondContact O-N 3.39Å; H841-K844 PolarHBondContact O-N 3.31Å |
| 845 | R | 82 | Confident | 78.5 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -115.1 | -20.4 | 177 | -61.8 | -77.4 | -76.9 | 158.8 | -6.7 | 114.3 | Y730 V731 H841 E843 | Y730-R845 WeakPolarHBondContact O-CD 3.49Å; Y730-R845 PolarHBondContact O-NH1 3.15Å; V731-R845 PolarHBondContact O-NH1 2.79Å; H841-R845 WeakPolarHBondContact O-CB 3.31Å; H841-R845 PolarHBondContact O-N 3.48Å; E843-R845 PolarHBondContact O-N 2.91Å |
| 846 | R | 86.6 | Confident | 76.5 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -133 | -1.1 | -175.9 | -62 | -173.7 | 173.6 | -160.5 | -2.8 | 115.2 | R772 W773 F842 I848 | R772-R846 PolarHBondContact O-NH1 3.15Å; W773-R846 PolarHBondContact O-NH1 3.31Å; F842-R846 CarbonylContact O-C 3.57Å; F842-R846 WeakPolarHBondContact O-CA 3.4Å; F842-R846 WeakPolarHBondContact O-CB 3.42Å; F842-R846 PolarHBondContact O-N 3.38Å; R846-I848 HydrophobicContact CB-CB 4.41Å; R846-I848 HydrophobicContact CB-CD1 3.7Å; R846-I848 HydrophobicContact CB-CG1 3.94Å; R846-I848 HydrophobicContact CG-CD1 4.44Å; R846-I848 PolarHBondContact O-N 3.49Å |
| 847 | A | 92.3 | Very high | 74.3 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | trans | 57.2 | 21.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I727 V729 A742 L743 F842 E843 | I727-A847 HydrophobicContact CD1-CB 4.36Å; V729-A847 HydrophobicContact CG2-CB 3.95Å; A742-A847 CarbonylContact C-O 3.58Å; A742-A847 VanDerWaalsContact CA-O 3.31Å; A742-A847 WeakPolarHBondContact CA-O 3.28Å; L743-A847 PolarHBondContact N-O 2.74Å; F842-A847 PolarHBondContact O-N 2.84Å; E843-A847 WeakPolarHBondContact O-CA 3.38Å; E843-A847 PolarHBondContact O-N 2.91Å | ||
| 848 | I | 91.2 | Very high | 72.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.9 | 179.6 | -68.2 | 166.7 | 0 | 0 | 0 | 108.8 | L743 M745 W773 F842 E843 R846 F850 | L743-I848 WeakPolarHBondContact O-CA 3.36Å; M745-I848 HydrophobicContact CE-CG2 4.2Å; M745-I848 HydrophobicContact CG-CG2 3.82Å; M745-I848 HydrophobicContact SD-CG2 4.27Å; W773-I848 HydrophobicContact CE3-CD1 3.93Å; W773-I848 HydrophobicContact CZ3-CD1 3.54Å; W773-I848 HydrophobicContact CZ3-CG1 3.98Å; F842-I848 CarbonylContact C-O 3.45Å; F842-I848 VanDerWaalsContact C-O 3.31Å; F842-I848 HydrophobicContact CB-CB 4.07Å; F842-I848 HydrophobicContact CB-CG2 4.23Å; F842-I848 HydrophobicContact CD1-CB 4.2Å; F842-I848 HydrophobicContact CD1-CD1 3.98Å; F842-I848 HydrophobicContact CD1-CG2 4.21Å; F842-I848 HydrophobicContact CE1-CD1 4.5Å; F842-I848 HydrophobicContact CG-CG2 4.48Å; F842-I848 PolarHBondContact O-N 2.87Å; F842-I848 VanDerWaalsContact O-N 3.07Å; E843-I848 WeakPolarHBondContact CA-O 3.33Å; E843-I848 PolarHBondContact N-O 2.95Å; E843-I848 VanDerWaalsContact N-O 3.17Å; R846-I848 HydrophobicContact CB-CB 4.41Å; R846-I848 HydrophobicContact CB-CD1 3.7Å; R846-I848 HydrophobicContact CB-CG1 3.94Å; R846-I848 HydrophobicContact CG-CD1 4.44Å; R846-I848 PolarHBondContact O-N 3.49Å; I848-F850 HydrophobicContact CG2-CE2 4.12Å; I848-F850 HydrophobicContact CG2-CZ 4.05Å |
| 849 | L | 90.4 | Very high | 70 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 153.6 | 178.5 | -56.5 | 178.5 | 0 | 0 | 0 | 110.1 | I727 A742 L743 T744 M745 E843 | I727-L849 HydrophobicContact CD1-CD1 4.48Å; I727-L849 HydrophobicContact CD1-CD2 4.25Å; A742-L849 HydrophobicContact CB-CD1 4.11Å; L743-L849 PolarHBondContact O-N 3.02Å; T744-L849 WeakPolarHBondContact CA-O 3.3Å; T744-L849 HydrophobicContact CG2-CB 4.34Å; M745-L849 PolarHBondContact N-O 2.64Å; E843-L849 HydrophobicContact CB-CD2 4.31Å; E843-L849 HydrophobicContact CG-CD2 3.79Å |
| 850 | F | 85.5 | Confident | 67.5 | Low | 26 Ų | 26 | 78 Ų | 78 | 11% | 0.114 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.5 | 169.9 | -59.7 | -88 | 0 | 0 | 0 | 107.3 | M745 K839 F842 I848 L965 V968 | M745-F850 HydrophobicContact CB-CD1 4.06Å; M745-F850 HydrophobicContact CB-CE1 4.21Å; M745-F850 HydrophobicContact CG-CD1 4.1Å; M745-F850 HydrophobicContact CG-CE1 3.82Å; M745-F850 HydrophobicContact CG-CZ 4.41Å; K839-F850 HydrophobicContact CB-CD2 4.49Å; K839-F850 HydrophobicContact CG-CD2 3.95Å; F842-F850 HydrophobicContact CB-CE2 3.8Å; F842-F850 HydrophobicContact CB-CZ 4.48Å; F842-F850 AromaticContact CD2-CE2 3.92Å; F842-F850 HydrophobicContact CD2-CE2 3.92Å; F842-F850 HydrophobicContact CD2-CZ 4.08Å; F842-F850 AromaticContact CG-CE2 3.93Å; F842-F850 HydrophobicContact CG-CE2 3.93Å; F842-F850 HydrophobicContact CG-CZ 4.17Å; I848-F850 HydrophobicContact CG2-CE2 4.12Å; I848-F850 HydrophobicContact CG2-CZ 4.05Å; F850-L965 HydrophobicContact CD2-CD1 4.21Å; F850-L965 HydrophobicContact CE1-CD1 4.18Å; F850-L965 HydrophobicContact CE2-CD1 3.59Å; F850-L965 HydrophobicContact CZ-CB 4.48Å; F850-L965 HydrophobicContact CZ-CD1 3.57Å; F850-V968 HydrophobicContact CE1-CG1 4.03Å; F850-V968 HydrophobicContact CZ-CG1 3.87Å |
| 851 | D | 72.2 | Confident | 65.1 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | trans | -82.4 | 119.2 | 177 | -155.9 | -18.6 | 0 | 0 | 0 | 109.9 | T744 K853 S870 | T744-D851 HydrophobicContact CG2-CB 4.42Å; D851-K853 VanDerWaalsContact OD1-CB 3.3Å; D851-K853 WeakPolarHBondContact OD1-CB 3.39Å; D851-K853 VanDerWaalsContact OD1-CG 3.29Å; D851-K853 WeakPolarHBondContact OD1-CG 3.4Å; D851-K853 PolarHBondContact OD1-N 2.74Å; D851-K853 VanDerWaalsContact OD1-N 3.1Å; D851-S870 PolarHBondContact O-OG 2.66Å; D851-S870 VanDerWaalsContact O-OG 3.1Å | ||
| 852 | D | 61.3 | Low | 62.8 | Low | 75 Ų | 75 | 86.5 Ų | 86.5 | 40% | 0.401 | 44% | 0.44 | S | S | . | . | trans | -95.9 | -0.9 | -179.5 | -69.5 | -13.7 | 0 | 0 | 0 | 111.8 | K839 S854 D855 N856 | K839-D852 IonicContact NZ-OD1 3.1Å; K839-D852 PolarHBondContact NZ-OD1 3.09Å; K839-D852 IonicContact NZ-OD2 2.81Å; D852-S854 VanDerWaalsContact C-N 3.27Å; D852-S854 PolarHBondContact O-N 3.36Å; D852-D855 PolarHBondContact O-N 3.18Å; D852-N856 PolarHBondContact O-ND2 2.83Å | ||
| 853 | K | 52 | Low | 60.4 | Low | 162 Ų | 162 | 92.4 Ų | 92.4 | 70% | 0.704 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -15.9 | -176.9 | -69.9 | -177.6 | 175.6 | -169.5 | 0 | 114.6 | D851 D855 | D851-K853 VanDerWaalsContact OD1-CB 3.3Å; D851-K853 WeakPolarHBondContact OD1-CB 3.39Å; D851-K853 VanDerWaalsContact OD1-CG 3.29Å; D851-K853 WeakPolarHBondContact OD1-CG 3.4Å; D851-K853 PolarHBondContact OD1-N 2.74Å; D851-K853 VanDerWaalsContact OD1-N 3.1Å; K853-D855 VanDerWaalsContact C-N 3.26Å; K853-D855 PolarHBondContact O-N 2.97Å |
| 854 | S | 45.2 | Very low | 57.8 | Low | 78 Ų | 78 | 98.5 Ų | 98.5 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.4 | 171.1 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | D852 | D852-S854 VanDerWaalsContact C-N 3.27Å; D852-S854 PolarHBondContact O-N 3.36Å |
| 855 | D | 44.7 | Very low | 55.5 | Low | 62 Ų | 62 | 99.6 Ų | 99.6 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 0.9 | -159.2 | -64.9 | 11.9 | 0 | 0 | 0 | 113.3 | D852 K853 S871 | D852-D855 PolarHBondContact O-N 3.18Å; K853-D855 VanDerWaalsContact C-N 3.26Å; K853-D855 PolarHBondContact O-N 2.97Å; D855-S871 WeakPolarHBondContact OD2-CB 3.18Å; D855-S871 PolarHBondContact OD2-OG 3.43Å |
| 856 | N | 41.2 | Very low | 53.5 | Low | 117 Ų | 117 | 102.6 Ų | 102.6 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -25 | -171 | -74.7 | -81.4 | 0 | 0 | 0 | 117 | D852 N858 | D852-N856 PolarHBondContact O-ND2 2.83Å; N856-N858 PolarHBondContact O-N 3.4Å; N856-N858 PolarHBondContact O-ND2 3.19Å |
| 857 | D | 37.3 | Very low | 52.2 | Low | 146 Ų | 146 | 105.6 Ų | 105.6 | 78% | 0.781 | 56% | 0.563 | S | S | * | * | trans | -76.8 | 85.7 | -174.9 | -70.1 | -10.8 | 0 | 0 | 0 | 111.4 | D859 | D857-D859 VanDerWaalsContact C-N 3.32Š| ||
| 858 | N | 35.6 | Very low | 50.6 | Low | 149 Ų | 149 | 107.1 Ų | 107.1 | 80% | 0.797 | 57% | 0.57 | S | S | * | * | trans | -89.2 | 10.5 | 175.9 | -80.9 | -91.9 | 0 | 0 | 0 | 113.6 | N856 E860 | N856-N858 PolarHBondContact O-N 3.4Å; N856-N858 PolarHBondContact O-ND2 3.19Å; N858-E860 PolarHBondContact O-N 2.94Å | ||
| 859 | D | 38 | Very low | 49.2 | Very low | 157 Ų | 157 | 108.8 Ų | 108.8 | 84% | 0.84 | 58% | 0.582 | S | S | * | * | trans | -89.6 | 103 | -178.5 | -75.5 | -25 | 0 | 0 | 0 | 111.5 | D857 | D857-D859 VanDerWaalsContact C-N 3.32Š| ||
| 860 | E | 33.1 | Very low | 47.8 | Very low | 175 Ų | 175 | 108.7 Ų | 108.7 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 27.5 | 120.9 | 158.1 | -60.3 | -165.7 | 146 | 0 | 0 | 120.8 | N858 | N858-E860 PolarHBondContact O-N 2.94Š|
| 861 | L | 34.8 | Very low | 47.3 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 85% | 0.848 | 58% | 0.582 | S | S | * | * | trans | 78.8 | 65.4 | 151.7 | -57.1 | 162.6 | 0 | 0 | 0 | 119.1 | ||||
| 862 | D | 35.2 | Very low | 48 | Very low | 144 Ų | 144 | 104 Ų | 104 | 77% | 0.77 | 56% | 0.561 | S | S | * | * | trans | -134.1 | 136.5 | 143.9 | -153.4 | -16.5 | 0 | 0 | 0 | 111.6 | ||||
| 863 | V | 34.8 | Very low | 49.4 | Very low | 125 Ų | 125 | 100.4 Ų | 100.4 | 76% | 0.758 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -109 | 22.3 | -158.3 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 864 | H | 34.2 | Very low | 51.2 | Low | 179 Ų | 179 | 92.7 Ų | 92.7 | 83% | 0.829 | 51% | 0.508 | S | S | * | . | trans | -133.8 | 4.5 | -171.2 | -88.4 | -64.6 | 0 | 0 | 0 | 116.8 | N866 | H864-N866 PolarHBondContact O-N 2.89Š| ||
| 865 | A | 38.6 | Very low | 53.4 | Low | 73 Ų | 73 | 89 Ų | 89 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | trans | -94.1 | 57.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L867 | A865-L867 PolarHBondContact O-N 2.71Š| ||
| 866 | N | 40.1 | Very low | 55.6 | Low | 126 Ų | 126 | 86 Ų | 86 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | trans | -76 | 64.5 | 165.3 | -85.7 | 2.4 | 0 | 0 | 0 | 110.8 | H864 | H864-N866 PolarHBondContact O-N 2.89Š| ||
| 867 | L | 58.1 | Low | 57.8 | Low | 129 Ų | 129 | 80.8 Ų | 80.8 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 130.5 | -178.4 | -74.3 | 165.2 | 0 | 0 | 0 | 111 | A865 | A865-L867 PolarHBondContact O-N 2.71Š|
| 868 | I | 60 | Low | 59.9 | Low | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.195 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -63 | 128.6 | 173.7 | -65.7 | 173.3 | 0 | 0 | 0 | 108.9 | L757 L760 L966 | L757-I868 HydrophobicContact CD1-CG2 4.13Å; L760-I868 HydrophobicContact CB-CD1 3.9Å; L760-I868 HydrophobicContact CD2-CD1 3.88Å; L760-I868 HydrophobicContact CD2-CG2 4.37Å; I868-L966 HydrophobicContact CG2-CD2 3.89Å |
| 869 | P | 61.5 | Low | 61.9 | Low | 41 Ų | 41 | 69.9 Ų | 69.9 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.4 | -178.2 | -26.6 | 34.3 | 0 | 0 | 0 | 112.9 | S871 V872 | P869-S871 PolarHBondContact O-N 3.19Å; P869-V872 HydrophobicContact CB-CG2 4.37Å; P869-V872 WeakPolarHBondContact O-CG2 3.49Å |
| 870 | S | 61.3 | Low | 63.5 | Low | 35 Ų | 35 | 63.2 Ų | 63.2 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -65.4 | -27.8 | 173.9 | 72 | 0 | 0 | 0 | 0 | 111.6 | D851 V872 | D851-S870 PolarHBondContact O-OG 2.66Å; D851-S870 VanDerWaalsContact O-OG 3.1Å; S870-V872 VanDerWaalsContact C-N 3.35Å; S870-V872 PolarHBondContact O-N 2.82Å; S870-V872 VanDerWaalsContact O-N 3.14Å |
| 871 | S | 74.2 | Confident | 65.3 | Low | 10 Ų | 10 | 54.9 Ų | 54.9 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | trans | -84.6 | 49 | -174.8 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | K839 D855 P869 | K839-S871 PolarHBondContact NZ-OG 3.04Å; D855-S871 WeakPolarHBondContact OD2-CB 3.18Å; D855-S871 PolarHBondContact OD2-OG 3.43Å; P869-S871 PolarHBondContact O-N 3.19Å | ||
| 872 | V | 87 | Confident | 67.3 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -105.4 | 128.1 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | L757 L784 P869 S870 L966 | L757-V872 HydrophobicContact CD1-CG1 4.26Å; L757-V872 HydrophobicContact CD1-CG2 4.34Å; L757-V872 HydrophobicContact CD2-CG2 4.34Å; L784-V872 HydrophobicContact CB-CG1 4.28Å; P869-V872 HydrophobicContact CB-CG2 4.37Å; P869-V872 WeakPolarHBondContact O-CG2 3.49Å; S870-V872 VanDerWaalsContact C-N 3.35Å; S870-V872 PolarHBondContact O-N 2.82Å; S870-V872 VanDerWaalsContact O-N 3.14Å; V872-L966 HydrophobicContact CB-CB 3.86Å; V872-L966 HydrophobicContact CB-CD2 3.95Å; V872-L966 HydrophobicContact CG1-CB 4.17Å; V872-L966 HydrophobicContact CG1-CD2 4.22Å; V872-L966 HydrophobicContact CG2-CD2 4.26Å; V872-L966 PolarHBondContact O-N 2.91Å | ||
| 873 | L | 89.8 | Confident | 69.1 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.6 | 170.5 | -66 | 170.4 | 0 | 0 | 0 | 111.1 | L784 M785 W830 I831 Q834 L835 L838 L965 | L784-L873 WeakPolarHBondContact CA-O 3.22Å; M785-L873 HydrophobicContact CB-CB 4.38Å; M785-L873 HydrophobicContact CE-CD1 4.33Å; M785-L873 PolarHBondContact N-O 3.43Å; M785-L873 PolarHBondContact O-N 3.27Å; W830-L873 HydrophobicContact CZ3-CD1 4.48Å; I831-L873 HydrophobicContact CG2-CD1 4.26Å; Q834-L873 HydrophobicContact CB-CD1 4.06Å; Q834-L873 HydrophobicContact CB-CD2 4.21Å; L835-L873 HydrophobicContact CD2-CD2 3.75Å; L835-L873 HydrophobicContact CD2-CG 3.79Å; L835-L873 HydrophobicContact CG-CD1 4.35Å; L835-L873 HydrophobicContact CG-CD2 4.09Å; L835-L873 HydrophobicContact CG-CG 4.01Å; L838-L873 HydrophobicContact CD1-CD2 3.65Å; L873-L965 HydrophobicContact CD2-CD2 4.1Å |
| 874 | V | 90.8 | Very high | 70.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.9 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | P781 L784 L963 D964 L966 L969 | P781-V874 HydrophobicContact CB-CG1 4.15Å; P781-V874 HydrophobicContact CG-CG1 4.36Å; L784-V874 HydrophobicContact CD2-CB 4.34Å; L784-V874 HydrophobicContact CD2-CG1 3.99Å; L784-V874 HydrophobicContact CD2-CG2 3.99Å; V874-L963 WeakPolarHBondContact O-CA 3.33Å; V874-D964 HydrophobicContact CB-CB 4.47Å; V874-D964 PolarHBondContact N-O 3.47Å; V874-D964 PolarHBondContact O-N 3.11Å; V874-L966 HydrophobicContact CG2-CB 4.2Å; V874-L969 HydrophobicContact CB-CD1 4.37Å; V874-L969 HydrophobicContact CG1-CD1 4.5Å; V874-L969 HydrophobicContact CG1-CD2 4.17Å; V874-L969 HydrophobicContact CG2-CD1 3.98Å; V874-L969 HydrophobicContact CG2-CD2 3.99Å |
| 875 | F | 91.9 | Very high | 72.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.6 | 171.3 | -68.2 | -107.5 | 0 | 0 | 0 | 109.8 | P781 V782 R783 M785 W830 L912 L961 N962 L963 | P781-F875 WeakPolarHBondContact CA-O 3.36Å; V782-F875 HydrophobicContact CG2-CB 4.07Å; V782-F875 PolarHBondContact N-O 2.81Å; R783-F875 HydrophobicContact CB-CB 4.05Å; R783-F875 HydrophobicContact CB-CD2 4.18Å; R783-F875 HydrophobicContact CB-CG 4.32Å; R783-F875 HydrophobicContact CG-CD2 3.97Å; R783-F875 HydrophobicContact CG-CE2 4.46Å; R783-F875 PolarHBondContact O-N 2.9Å; M785-F875 HydrophobicContact CB-CE2 4.31Å; M785-F875 HydrophobicContact CE-CE2 3.66Å; M785-F875 HydrophobicContact CE-CZ 3.73Å; M785-F875 HydrophobicContact SD-CE2 4.5Å; W830-F875 HydrophobicContact CH2-CE1 4.3Å; W830-F875 AromaticContact CH2-CZ 3.92Å; W830-F875 HydrophobicContact CH2-CZ 3.92Å; W830-F875 AromaticContact CZ3-CZ 3.98Å; W830-F875 HydrophobicContact CZ3-CZ 3.98Å; F875-L912 HydrophobicContact CE1-CD2 4Å; F875-L912 HydrophobicContact CZ-CD2 4.46Å; F875-L961 HydrophobicContact CB-CD1 4.25Å; F875-L961 HydrophobicContact CD1-CB 4.25Å; F875-L961 HydrophobicContact CD1-CD1 4.12Å; F875-N962 CarbonylContact C-O 3.38Å; F875-N962 VanDerWaalsContact CA-O 3.31Å; F875-N962 WeakPolarHBondContact CA-O 3.42Å; F875-L963 HydrophobicContact CD1-CD1 3.85Å; F875-L963 HydrophobicContact CD1-CG 4.01Å; F875-L963 HydrophobicContact CE1-CD1 3.75Å; F875-L963 HydrophobicContact CE1-CD2 3.94Å; F875-L963 HydrophobicContact CE1-CG 3.89Å; F875-L963 HydrophobicContact CE2-CD2 4.32Å; F875-L963 HydrophobicContact CG-CG 4.39Å; F875-L963 HydrophobicContact CZ-CD1 4.46Å; F875-L963 HydrophobicContact CZ-CD2 3.81Å; F875-L963 HydrophobicContact CZ-CG 4.15Å |
| 876 | S | 90.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.1 | -175.8 | 75.1 | 0 | 0 | 0 | 0 | 114.5 | V779 M780 N962 | V779-S876 WeakPolarHBondContact CB-OG 3.3Å; V779-S876 WeakPolarHBondContact CG2-OG 3.22Å; M780-S876 WeakPolarHBondContact O-CA 3.42Å; S876-N962 PolarHBondContact N-O 2.95Å; S876-N962 PolarHBondContact O-N 3.41Å |
| 877 | R | 87.2 | Confident | 75.7 | Confident | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.7 | 169.3 | -71 | -169.1 | -82.4 | 146.1 | -14.3 | 110.1 | V779 M780 V782 F796 V798 F901 V902 L961 | V779-R877 CarbonylContact C-O 3.53Å; V779-R877 VanDerWaalsContact CA-O 3.27Å; V779-R877 WeakPolarHBondContact CA-O 3.35Å; V779-R877 WeakPolarHBondContact CB-O 3.16Å; M780-R877 PolarHBondContact N-O 3.01Å; M780-R877 PolarHBondContact O-N 3.5Å; V782-R877 HydrophobicContact CG1-CG 4.11Å; F796-R877 PolarHBondContact O-NE 3.1Å; F796-R877 PolarHBondContact O-NH2 3.28Å; V798-R877 PolarHBondContact O-NH1 2.67Å; V798-R877 PolarHBondContact O-NH2 2.96Å; R877-F901 HydrophobicContact CB-CB 4.15Å; R877-F901 WeakPolarHBondContact O-CD1 2.49Å; R877-V902 WeakPolarHBondContact CB-O 3.36Å; R877-V902 WeakPolarHBondContact CD-O 3.32Å; R877-V902 WeakPolarHBondContact CG-O 3.45Å; R877-L961 HydrophobicContact CG-CD2 3.62Å |
| 878 | P | 80 | Confident | 75.7 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 17% | 0.169 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 154.2 | 172.9 | 28.5 | -33.1 | 0 | 0 | 0 | 113 | V779 F901 V902 | V779-P878 HydrophobicContact CG1-CB 4.48Å; P878-F901 CarbonylContact O-C 3.52Å; P878-F901 WeakPolarHBondContact O-CA 3.5Å; P878-V902 HydrophobicContact CG-CB 4.05Å; P878-V902 HydrophobicContact CG-CG2 3.9Å; P878-V902 PolarHBondContact O-N 3.46Å |
| 879 | L | 79.2 | Confident | 75.1 | Confident | 40 Ų | 40 | 25.6 Ų | 25.6 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 138.4 | 170.4 | -174 | 68.8 | 0 | 0 | 0 | 110.7 | T778 P899 F901 P977 W986 | T778-L879 PolarHBondContact O-N 3.35Å; L879-P899 HydrophobicContact CD1-CB 3.73Å; L879-F901 HydrophobicContact CB-CD1 4.12Å; L879-F901 HydrophobicContact CB-CE1 3.9Å; L879-F901 HydrophobicContact CB-CZ 4.49Å; L879-F901 HydrophobicContact CD1-CD1 4.31Å; L879-F901 HydrophobicContact CD1-CD2 4.21Å; L879-F901 HydrophobicContact CD1-CE1 4.07Å; L879-F901 HydrophobicContact CD1-CE2 3.96Å; L879-F901 HydrophobicContact CD1-CG 4.39Å; L879-F901 HydrophobicContact CD1-CZ 3.9Å; L879-P977 HydrophobicContact CD2-CG 4.11Å; L879-W986 HydrophobicContact CD2-CH2 4.42Å |
| 880 | D | 71.2 | Confident | 74.3 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -16.9 | -176.8 | 174.5 | 74.9 | 0 | 0 | 0 | 114.3 | N900 V902 R1279 Y1281 | D880-N900 PolarHBondContact N-O 3.29Å; D880-V902 HydrophobicContact CB-CG2 3.7Å; D880-R1279 IonicContact OD1-CZ 3.91Å; D880-R1279 IonicContact OD1-NH1 3.01Å; D880-R1279 PolarHBondContact OD1-NH1 3.24Å; D880-R1279 IonicContact OD1-NH2 3.35Å; D880-R1279 PolarHBondContact OD1-NH2 3.04Å; D880-R1279 IonicContact OD2-NH1 2.7Å; D880-Y1281 WeakPolarHBondContact OD2-CE2 3.39Å; D880-Y1281 VanDerWaalsContact OD2-CZ 3.3Å; D880-Y1281 PolarHBondContact OD2-OH 2.86Å |
| 881 | G | 71 | Confident | 73.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | -153.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N900 R1279 | G881-N900 PolarHBondContact N-O 2.88Å; G881-N900 PolarHBondContact O-N 2.99Å; G881-R1279 WeakPolarHBondContact CA-O 3.43Å |
| 882 | W | 75.7 | Confident | 72.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.9 | -175.6 | -61 | 77.6 | 0 | 0 | 0 | 111.9 | L897 I898 P899 P976 P977 I979 V984 W986 R1279 I1280 Y1281 | W882-L897 HydrophobicContact CB-CB 4.38Å; W882-L897 HydrophobicContact CB-CD2 4.28Å; W882-L897 HydrophobicContact CE3-CB 3.98Å; W882-I898 CarbonylContact C-O 3.47Å; W882-I898 VanDerWaalsContact CA-O 3.28Å; W882-I898 WeakPolarHBondContact CA-O 3.34Å; W882-P899 HydrophobicContact CD2-CB 4.17Å; W882-P899 HydrophobicContact CE3-CB 3.91Å; W882-P899 HydrophobicContact CE3-CG 4.5Å; W882-P899 HydrophobicContact CH2-CB 3.99Å; W882-P899 HydrophobicContact CH2-CG 4.44Å; W882-P899 HydrophobicContact CZ2-CB 4.23Å; W882-P899 HydrophobicContact CZ3-CB 3.84Å; W882-P899 HydrophobicContact CZ3-CG 4.13Å; W882-P976 HydrophobicContact CH2-CB 4.28Å; W882-P977 HydrophobicContact CZ2-CG 4.1Å; W882-I979 HydrophobicContact CB-CD1 4.09Å; W882-I979 HydrophobicContact CD2-CD1 3.78Å; W882-I979 HydrophobicContact CG-CD1 3.48Å; W882-I979 VanDerWaalsContact CG-CD1 3.48Å; W882-V984 HydrophobicContact CD2-CG1 4.44Å; W882-V984 HydrophobicContact CE3-CB 4.46Å; W882-V984 HydrophobicContact CE3-CG1 4.09Å; W882-V984 HydrophobicContact CH2-CB 3.94Å; W882-V984 HydrophobicContact CH2-CG1 4.43Å; W882-V984 HydrophobicContact CH2-CG2 3.8Å; W882-V984 HydrophobicContact CZ2-CB 4.41Å; W882-V984 HydrophobicContact CZ2-CG2 3.84Å; W882-V984 HydrophobicContact CZ3-CB 3.95Å; W882-V984 HydrophobicContact CZ3-CG1 4.07Å; W882-V984 HydrophobicContact CZ3-CG2 4.28Å; W882-W986 HydrophobicContact CH2-CE3 4.13Å; W882-W986 HydrophobicContact CH2-CZ3 4.09Å; W882-W986 HydrophobicContact CZ2-CZ3 4.43Å; W882-R1279 PolarHBondContact N-O 3.33Å; W882-I1280 WeakPolarHBondContact O-CA 3.16Å; W882-Y1281 PolarHBondContact O-N 2.81Å |
| 883 | S | 73.5 | Confident | 71.5 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.8 | -179.8 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | V885 L897 I898 N900 Y1281 | S883-V885 PolarHBondContact O-N 2.93Å; S883-L897 WeakPolarHBondContact O-CA 3.37Å; S883-I898 PolarHBondContact N-O 3.44Å; S883-I898 PolarHBondContact O-N 3.35Å; S883-N900 VanDerWaalsContact OG-CG 3.22Å; S883-N900 PolarHBondContact OG-ND2 3.08Å; S883-N900 PolarHBondContact OG-OD1 3.4Å; S883-Y1281 WeakPolarHBondContact CA-O 3.5Å |
| 884 | V | 73.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.1 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | F895 L897 I997 I1280 Y1281 S1283 | V884-F895 HydrophobicContact CG1-CB 4.31Å; V884-F895 HydrophobicContact CG1-CD1 3.76Å; V884-F895 HydrophobicContact CG1-CG 4.37Å; V884-L897 HydrophobicContact CB-CD2 4.5Å; V884-L897 HydrophobicContact CG2-CD2 3.81Å; V884-I997 HydrophobicContact CG1-CD1 4.34Å; V884-I997 HydrophobicContact CG2-CD1 4.16Å; V884-I1280 HydrophobicContact CG2-CG2 3.29Å; V884-Y1281 PolarHBondContact N-O 3.07Å; V884-S1283 WeakPolarHBondContact O-CB 3.37Å; V884-S1283 PolarHBondContact O-OG 3.32Å |
| 885 | V | 72.4 | Confident | 69.5 | Low | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131 | -176 | -178 | 0 | 0 | 0 | 0 | 111.3 | S883 F895 T896 I898 Y1285 | S883-V885 PolarHBondContact O-N 2.93Å; V885-F895 CarbonylContact O-C 3.58Å; V885-F895 VanDerWaalsContact O-CA 3.3Å; V885-F895 WeakPolarHBondContact O-CA 3.32Å; V885-T896 HydrophobicContact CB-CG2 4.21Å; V885-T896 PolarHBondContact N-O 2.78Å; V885-T896 PolarHBondContact O-N 3.23Å; V885-I898 HydrophobicContact CB-CD1 4.29Å; V885-I898 HydrophobicContact CB-CG1 4.41Å; V885-I898 HydrophobicContact CG1-CD1 4.46Å; V885-I898 HydrophobicContact CG2-CB 4.37Å; V885-I898 HydrophobicContact CG2-CD1 3.81Å; V885-I898 HydrophobicContact CG2-CG1 3.89Å; V885-Y1285 HydrophobicContact CG1-CD2 4.32Å; V885-Y1285 HydrophobicContact CG2-CD2 3.79Å; V885-Y1285 HydrophobicContact CG2-CE2 3.75Å |
| 886 | P | 69.9 | Low | 68.8 | Low | 42 Ų | 42 | 46.5 Ų | 46.5 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.1 | 173.1 | 28.5 | -33.1 | 0 | 0 | 0 | 111.3 | K888 F895 | P886-K888 PolarHBondContact O-N 2.92Å; P886-F895 HydrophobicContact CB-CD1 4.03Å; P886-F895 HydrophobicContact CB-CE1 3.64Å; P886-F895 HydrophobicContact CB-CZ 4.09Å; P886-F895 HydrophobicContact CG-CE1 4.4Å |
| 887 | V | 70.2 | Confident | 68.1 | Low | 46 Ų | 46 | 46.6 Ų | 46.6 | 28% | 0.279 | 26% | 0.259 | S | S | . | . | trans | -83.9 | 115.2 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | A889 S894 T896 T991 | V887-A889 VanDerWaalsContact C-N 3.3Å; V887-A889 HydrophobicContact CG1-CB 4.14Å; V887-A889 PolarHBondContact O-N 2.74Å; V887-S894 PolarHBondContact N-O 3.11Å; V887-T896 HydrophobicContact CG2-CG2 3.81Å; V887-T991 HydrophobicContact CG2-CG2 4.32Å | ||
| 888 | K | 58 | Low | 67.6 | Low | 194 Ų | 194 | 47.1 Ų | 47.1 | 84% | 0.843 | 26% | 0.262 | S | S | * | . | trans | -80.2 | 71.8 | 179 | -68.5 | -177.4 | 180 | 174.7 | 0 | 111.5 | P886 | P886-K888 PolarHBondContact O-N 2.92Š| ||
| 889 | A | 48.7 | Very low | 67.6 | Low | 49 Ų | 49 | 46.1 Ų | 46.1 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -139.3 | 119.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V887 S892 | V887-A889 VanDerWaalsContact C-N 3.3Å; V887-A889 HydrophobicContact CG1-CB 4.14Å; V887-A889 PolarHBondContact O-N 2.74Å; A889-S892 PolarHBondContact O-N 3.4Å; A889-S892 PolarHBondContact O-OG 2.9Å; A889-S892 VanDerWaalsContact O-OG 3.11Å |
| 890 | N | 44.1 | Very low | 67.4 | Low | 164 Ų | 164 | 45.7 Ų | 45.7 | 88% | 0.877 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 28.8 | 85.6 | 167.1 | -62.1 | 0.7 | 0 | 0 | 0 | 116.2 | S892 | N890-S892 PolarHBondContact O-N 3.17Š|
| 891 | D | 50.8 | Low | 67.7 | Low | 180 Ų | 180 | 45.5 Ų | 45.5 | 96% | 0.963 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 11 | 168.6 | -64.6 | -15.2 | 0 | 0 | 0 | 117.9 | ||
| 892 | S | 52.7 | Low | 67.8 | Low | 59 Ų | 59 | 47 Ų | 47 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | trans | -102 | 121.6 | 176.5 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | A889 N890 S894 | A889-S892 PolarHBondContact O-N 3.4Å; A889-S892 PolarHBondContact O-OG 2.9Å; A889-S892 VanDerWaalsContact O-OG 3.11Å; N890-S892 PolarHBondContact O-N 3.17Å; S892-S894 PolarHBondContact O-N 3.43Å; S892-S894 PolarHBondContact OG-OG 3.46Å | ||
| 893 | N | 59.5 | Low | 67.6 | Low | 79 Ų | 79 | 51.3 Ų | 51.3 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | trans | -77.8 | 55.7 | 172 | -67.1 | -46.3 | 0 | 0 | 0 | 111 | F895 Q1023 K1024 G1026 | N893-F895 WeakPolarHBondContact O-CD2 3.44Å; N893-F895 WeakPolarHBondContact O-CE2 3.4Å; N893-Q1023 WeakPolarHBondContact CB-O 3.42Å; N893-Q1023 PolarHBondContact ND2-O 3.22Å; N893-K1024 PolarHBondContact ND2-O 3.03Å; N893-G1026 PolarHBondContact ND2-N 2.72Å | ||
| 894 | S | 66.4 | Low | 67.6 | Low | 22 Ų | 22 | 51.2 Ų | 51.2 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | trans | -88.2 | 150.1 | 176.4 | 56.3 | 0 | 0 | 0 | 0 | 111 | V887 S892 | V887-S894 PolarHBondContact N-O 3.11Å; S892-S894 PolarHBondContact O-N 3.43Å; S892-S894 PolarHBondContact OG-OG 3.46Å | ||
| 895 | F | 72.8 | Confident | 67.4 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.3 | -178.8 | -70.7 | -102.3 | 0 | 0 | 0 | 109.8 | V884 V885 P886 N893 T991 I992 L994 P1267 | V884-F895 HydrophobicContact CG1-CB 4.31Å; V884-F895 HydrophobicContact CG1-CD1 3.76Å; V884-F895 HydrophobicContact CG1-CG 4.37Å; V885-F895 CarbonylContact O-C 3.58Å; V885-F895 VanDerWaalsContact O-CA 3.3Å; V885-F895 WeakPolarHBondContact O-CA 3.32Å; P886-F895 HydrophobicContact CB-CD1 4.03Å; P886-F895 HydrophobicContact CB-CE1 3.64Å; P886-F895 HydrophobicContact CB-CZ 4.09Å; P886-F895 HydrophobicContact CG-CE1 4.4Å; N893-F895 WeakPolarHBondContact O-CD2 3.44Å; N893-F895 WeakPolarHBondContact O-CE2 3.4Å; F895-T991 CarbonylContact O-C 3.55Å; F895-T991 WeakPolarHBondContact O-CA 3.35Å; F895-I992 PolarHBondContact N-O 3.27Å; F895-I992 PolarHBondContact O-N 3.02Å; F895-L994 HydrophobicContact CD1-CD2 4.06Å; F895-L994 HydrophobicContact CD2-CD1 4.17Å; F895-L994 HydrophobicContact CD2-CD2 3.58Å; F895-L994 HydrophobicContact CD2-CG 3.52Å; F895-L994 HydrophobicContact CE1-CD2 4.05Å; F895-L994 HydrophobicContact CE2-CD1 3.52Å; F895-L994 HydrophobicContact CE2-CD2 3.62Å; F895-L994 HydrophobicContact CE2-CG 3.42Å; F895-L994 VanDerWaalsContact CE2-CG 3.42Å; F895-L994 HydrophobicContact CG-CD2 3.82Å; F895-L994 HydrophobicContact CG-CG 4.28Å; F895-L994 HydrophobicContact CZ-CD1 3.93Å; F895-L994 HydrophobicContact CZ-CD2 3.86Å; F895-L994 HydrophobicContact CZ-CG 4.07Å; F895-P1267 HydrophobicContact CE1-CB 3.99Å; F895-P1267 HydrophobicContact CE1-CG 3.87Å; F895-P1267 HydrophobicContact CZ-CB 4.46Å; F895-P1267 HydrophobicContact CZ-CG 3.83Å |
| 896 | T | 76.6 | Confident | 67.4 | Low | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 164.5 | 174.6 | -168.9 | 0 | 0 | 0 | 0 | 110 | V885 V887 I898 Y988 | V885-T896 HydrophobicContact CB-CG2 4.21Å; V885-T896 PolarHBondContact N-O 2.78Å; V885-T896 PolarHBondContact O-N 3.23Å; V887-T896 HydrophobicContact CG2-CG2 3.81Å; T896-I898 HydrophobicContact CG2-CG1 4.42Å; T896-Y988 PolarHBondContact OG1-O 2.99Å |
| 897 | L | 76.8 | Confident | 67.8 | Low | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.8 | 177.5 | -73 | 174.4 | 0 | 0 | 0 | 109.6 | W882 S883 V884 I979 V982 V984 I992 I997 I1280 | W882-L897 HydrophobicContact CB-CB 4.38Å; W882-L897 HydrophobicContact CB-CD2 4.28Å; W882-L897 HydrophobicContact CE3-CB 3.98Å; S883-L897 WeakPolarHBondContact O-CA 3.37Å; V884-L897 HydrophobicContact CB-CD2 4.5Å; V884-L897 HydrophobicContact CG2-CD2 3.81Å; L897-I979 HydrophobicContact CD1-CD1 3.76Å; L897-V982 HydrophobicContact CD1-CG1 4.15Å; L897-V984 HydrophobicContact CB-CG1 3.86Å; L897-V984 HydrophobicContact CD1-CG1 3.72Å; L897-V984 HydrophobicContact CG-CG1 4.42Å; L897-I992 HydrophobicContact CB-CD1 4.24Å; L897-I992 HydrophobicContact CD1-CD1 3.6Å; L897-I992 HydrophobicContact CG-CD1 3.68Å; L897-I997 HydrophobicContact CD2-CD1 4.3Å; L897-I1280 HydrophobicContact CD2-CG2 4.36Å |
| 898 | I | 77.5 | Confident | 68.4 | Low | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.5 | 177.5 | -60.2 | -164.6 | 0 | 0 | 0 | 108.9 | W882 S883 V885 T896 Y988 Y1285 | W882-I898 CarbonylContact C-O 3.47Å; W882-I898 VanDerWaalsContact CA-O 3.28Å; W882-I898 WeakPolarHBondContact CA-O 3.34Å; S883-I898 PolarHBondContact N-O 3.44Å; S883-I898 PolarHBondContact O-N 3.35Å; V885-I898 HydrophobicContact CB-CD1 4.29Å; V885-I898 HydrophobicContact CB-CG1 4.41Å; V885-I898 HydrophobicContact CG1-CD1 4.46Å; V885-I898 HydrophobicContact CG2-CB 4.37Å; V885-I898 HydrophobicContact CG2-CD1 3.81Å; V885-I898 HydrophobicContact CG2-CG1 3.89Å; T896-I898 HydrophobicContact CG2-CG1 4.42Å; I898-Y988 HydrophobicContact CB-CD1 4.42Å; I898-Y988 HydrophobicContact CB-CE1 4.32Å; I898-Y988 HydrophobicContact CD1-CD2 3.93Å; I898-Y988 HydrophobicContact CD1-CE2 4.11Å; I898-Y988 HydrophobicContact CD1-CG 4.26Å; I898-Y988 HydrophobicContact CG1-CD1 3.98Å; I898-Y988 HydrophobicContact CG1-CD2 4.09Å; I898-Y988 HydrophobicContact CG1-CE1 4.28Å; I898-Y988 HydrophobicContact CG1-CE2 4.32Å; I898-Y988 HydrophobicContact CG1-CG 3.93Å; I898-Y988 HydrophobicContact CG2-CE1 4.04Å; I898-Y988 HydrophobicContact CG2-CE2 4.22Å; I898-Y1285 HydrophobicContact CD1-CE2 4.15Å |
| 899 | P | 78.7 | Confident | 69.3 | Low | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.5 | -176.9 | 31.1 | -35.5 | 0 | 0 | 0 | 111.7 | P800 L879 W882 F901 W986 Y988 | P800-P899 HydrophobicContact CG-CG 4.31Å; L879-P899 HydrophobicContact CD1-CB 3.73Å; W882-P899 HydrophobicContact CD2-CB 4.17Å; W882-P899 HydrophobicContact CE3-CB 3.91Å; W882-P899 HydrophobicContact CE3-CG 4.5Å; W882-P899 HydrophobicContact CH2-CB 3.99Å; W882-P899 HydrophobicContact CH2-CG 4.44Å; W882-P899 HydrophobicContact CZ2-CB 4.23Å; W882-P899 HydrophobicContact CZ3-CB 3.84Å; W882-P899 HydrophobicContact CZ3-CG 4.13Å; P899-F901 HydrophobicContact CB-CD2 4.47Å; P899-F901 HydrophobicContact CB-CE2 4.05Å; P899-F901 HydrophobicContact CG-CE2 4.14Å; P899-W986 HydrophobicContact CB-CE3 4.34Å; P899-W986 HydrophobicContact CB-CZ3 3.75Å; P899-W986 HydrophobicContact CG-CE3 3.9Å; P899-W986 HydrophobicContact CG-CZ3 3.75Å; P899-Y988 HydrophobicContact CG-CE1 4.08Å |
| 900 | N | 74.8 | Confident | 70.8 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.4 | 175.4 | -67 | -9.6 | 0 | 0 | 0 | 109.2 | D880 G881 S883 Y1281 | D880-N900 PolarHBondContact N-O 3.29Å; G881-N900 PolarHBondContact N-O 2.88Å; G881-N900 PolarHBondContact O-N 2.99Å; S883-N900 VanDerWaalsContact OG-CG 3.22Å; S883-N900 PolarHBondContact OG-ND2 3.08Å; S883-N900 PolarHBondContact OG-OD1 3.4Å; N900-Y1281 WeakPolarHBondContact ND2-CD2 3.44Å |
| 901 | F | 77.7 | Confident | 72.3 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.3 | 167.5 | -70.9 | -91.7 | 0 | 0 | 0 | 110.2 | P768 T778 M780 P800 R877 P878 L879 P899 R903 W986 | P768-F901 HydrophobicContact CB-CZ 4.23Å; P768-F901 HydrophobicContact CG-CZ 4.3Å; T778-F901 HydrophobicContact CG2-CE1 4.47Å; M780-F901 HydrophobicContact CB-CD1 3.77Å; M780-F901 HydrophobicContact CB-CE1 3.81Å; M780-F901 HydrophobicContact CB-CG 4.17Å; M780-F901 HydrophobicContact CB-CZ 4.24Å; P800-F901 HydrophobicContact CB-CE2 4.23Å; P800-F901 HydrophobicContact CG-CD2 3.54Å; P800-F901 HydrophobicContact CG-CE2 3.52Å; R877-F901 HydrophobicContact CB-CB 4.15Å; R877-F901 WeakPolarHBondContact O-CD1 2.49Å; P878-F901 CarbonylContact O-C 3.52Å; P878-F901 WeakPolarHBondContact O-CA 3.5Å; L879-F901 HydrophobicContact CB-CD1 4.12Å; L879-F901 HydrophobicContact CB-CE1 3.9Å; L879-F901 HydrophobicContact CB-CZ 4.49Å; L879-F901 HydrophobicContact CD1-CD1 4.31Å; L879-F901 HydrophobicContact CD1-CD2 4.21Å; L879-F901 HydrophobicContact CD1-CE1 4.07Å; L879-F901 HydrophobicContact CD1-CE2 3.96Å; L879-F901 HydrophobicContact CD1-CG 4.39Å; L879-F901 HydrophobicContact CD1-CZ 3.9Å; P899-F901 HydrophobicContact CB-CD2 4.47Å; P899-F901 HydrophobicContact CB-CE2 4.05Å; P899-F901 HydrophobicContact CG-CE2 4.14Å; F901-R903 PolarHBondContact O-N 2.81Å; F901-R903 VanDerWaalsContact O-N 3.12Å; F901-W986 HydrophobicContact CE2-CZ3 4.05Å; F901-W986 HydrophobicContact CZ-CH2 4.07Å; F901-W986 AromaticContact CZ-CZ3 3.97Å; F901-W986 HydrophobicContact CZ-CZ3 3.97Å |
| 902 | V | 73.1 | Confident | 73.5 | Confident | 30 Ų | 30 | 42 Ų | 42 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 116.5 | -179.6 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | R877 P878 D880 | R877-V902 WeakPolarHBondContact CB-O 3.36Å; R877-V902 WeakPolarHBondContact CD-O 3.32Å; R877-V902 WeakPolarHBondContact CG-O 3.45Å; P878-V902 HydrophobicContact CG-CB 4.05Å; P878-V902 HydrophobicContact CG-CG2 3.9Å; P878-V902 PolarHBondContact O-N 3.46Å; D880-V902 HydrophobicContact CB-CG2 3.7Å |
| 903 | R | 71.9 | Confident | 74.3 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 136.8 | -178.2 | -77.6 | -175.6 | 131.2 | 161.8 | -1.8 | 112.3 | N797 F901 S1297 N1298 | N797-R903 HydrophobicContact CB-CG 4.42Å; N797-R903 PolarHBondContact O-NH2 3.24Å; N797-R903 WeakPolarHBondContact OD1-CA 3.45Å; N797-R903 WeakPolarHBondContact OD1-CB 3.47Å; N797-R903 WeakPolarHBondContact OD1-CG 3.35Å; F901-R903 PolarHBondContact O-N 2.81Å; F901-R903 VanDerWaalsContact O-N 3.12Å; R903-S1297 WeakPolarHBondContact CD-O 3.49Å; R903-N1298 HydrophobicContact CB-CB 4.45Å; R903-N1298 VanDerWaalsContact CB-OD1 3.31Å; R903-N1298 WeakPolarHBondContact CB-OD1 3.16Å |
| 904 | S | 72.7 | Confident | 74.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 148.1 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | N797 A906 | N797-S904 PolarHBondContact ND2-O 3.45Å; N797-S904 PolarHBondContact OD1-N 3.01Å; S904-A906 WeakPolarHBondContact CB-O 3.43Å; S904-A906 PolarHBondContact OG-N 2.88Å; S904-A906 PolarHBondContact OG-O 2.92Å |
| 905 | R | 69.9 | Low | 74.6 | Confident | 121 Ų | 121 | 44.2 Ų | 44.2 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -74.5 | -40.6 | 170.4 | -64.9 | 177.1 | 179.4 | -167.1 | -2.1 | 111.7 | D959 V1336 | R905-D959 HydrophobicContact CB-CB 4.34Å; R905-D959 WeakPolarHBondContact CB-O 3.29Å; R905-D959 WeakPolarHBondContact CD-O 3.13Å; R905-D959 VanDerWaalsContact CG-O 3.25Å; R905-D959 WeakPolarHBondContact CG-O 3.5Å; R905-D959 PolarHBondContact N-O 3.16Å; R905-V1336 PolarHBondContact NH1-O 2.96Å; R905-V1336 VanDerWaalsContact NH1-O 3.14Å |
| 906 | A | 72.1 | Confident | 73.6 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -74.9 | 136.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | S904 D911 L912 | S904-A906 WeakPolarHBondContact CB-O 3.43Å; S904-A906 PolarHBondContact OG-N 2.88Å; S904-A906 PolarHBondContact OG-O 2.92Å; A906-D911 HydrophobicContact CB-CB 3.6Å; A906-L912 HydrophobicContact CB-CB 4.15Å; A906-L912 HydrophobicContact CB-CD1 4.12Å |
| 907 | Q | 78.5 | Confident | 72.1 | Confident | 130 Ų | 130 | 51.1 Ų | 51.1 | 61% | 0.607 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -80.6 | -31 | 176.8 | -56.2 | -172.8 | 8.4 | 0 | 0 | 111.5 | D795 F796 D911 | D795-Q907 WeakPolarHBondContact CA-O 3.37Å; F796-Q907 PolarHBondContact N-O 3.13Å; Q907-D911 VanDerWaalsContact CB-OD2 3.31Å; Q907-D911 WeakPolarHBondContact CB-OD2 3.3Å; Q907-D911 PolarHBondContact N-OD2 3.18Å |
| 908 | N | 83.4 | Confident | 70.3 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -147.9 | -172.1 | 178.9 | 60.5 | 44.4 | 0 | 0 | 0 | 109.9 | F796 D910 D911 | F796-N908 VanDerWaalsContact CE2-C 3.49Å; F796-N908 WeakPolarHBondContact CE2-O 3.39Å; N908-D910 VanDerWaalsContact C-N 3.3Å; N908-D910 PolarHBondContact O-N 2.96Å; N908-D910 WeakPolarHBondContact OD1-CB 3.32Å; N908-D910 PolarHBondContact OD1-N 2.9Å; N908-D911 PolarHBondContact O-N 2.96Å; N908-D911 PolarHBondContact OD1-N 3.34Å |
| 909 | G | 76.3 | Confident | 68.6 | Low | 7 Ų | 7 | 54.7 Ų | 54.7 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -11.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | R783 E792 | R783-G909 PolarHBondContact NH1-O 2.76Å; E792-G909 WeakPolarHBondContact OE1-CA 3.31Å; E792-G909 PolarHBondContact OE1-N 3.44Å; E792-G909 WeakPolarHBondContact OE2-CA 3.33Å |
| 910 | D | 80.1 | Confident | 66.8 | Low | 100 Ų | 100 | 56.9 Ų | 56.9 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -20.1 | 179.3 | -58.5 | -17.3 | 0 | 0 | 0 | 111.8 | R814 N908 L912 | R814-D910 IonicContact CZ-OD1 2.82Å; R814-D910 IonicContact CZ-OD2 2.78Å; R814-D910 VanDerWaalsContact NH1-CG 3.3Å; R814-D910 IonicContact NH1-OD1 2.74Å; R814-D910 PolarHBondContact NH1-OD1 3.42Å; R814-D910 IonicContact NH1-OD2 3Å; R814-D910 PolarHBondContact NH1-OD2 2.95Å; R814-D910 VanDerWaalsContact NH2-CG 3.28Å; R814-D910 IonicContact NH2-OD1 3.58Å; R814-D910 PolarHBondContact NH2-OD1 3.16Å; R814-D910 IonicContact NH2-OD2 2.97Å; R814-D910 PolarHBondContact NH2-OD2 3.3Å; N908-D910 VanDerWaalsContact C-N 3.3Å; N908-D910 PolarHBondContact O-N 2.96Å; N908-D910 WeakPolarHBondContact OD1-CB 3.32Å; N908-D910 PolarHBondContact OD1-N 2.9Å; D910-L912 VanDerWaalsContact C-N 3.31Å |
| 911 | D | 77.1 | Confident | 65 | Low | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -79.5 | -7.4 | 172.8 | -84.8 | -22.8 | 0 | 0 | 0 | 113.5 | A906 Q907 N908 | A906-D911 HydrophobicContact CB-CB 3.6Å; Q907-D911 VanDerWaalsContact CB-OD2 3.31Å; Q907-D911 WeakPolarHBondContact CB-OD2 3.3Å; Q907-D911 PolarHBondContact N-OD2 3.18Å; N908-D911 PolarHBondContact O-N 2.96Å; N908-D911 PolarHBondContact OD1-N 3.34Å |
| 912 | L | 75.1 | Confident | 63 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | trans | -87 | 115 | -167.4 | -163.8 | 115.5 | 0 | 0 | 0 | 111.8 | F796 F875 A906 D910 L914 D959 L961 | F796-L912 HydrophobicContact CE2-CD1 4.12Å; F875-L912 HydrophobicContact CE1-CD2 4Å; F875-L912 HydrophobicContact CZ-CD2 4.46Å; A906-L912 HydrophobicContact CB-CB 4.15Å; A906-L912 HydrophobicContact CB-CD1 4.12Å; D910-L912 VanDerWaalsContact C-N 3.31Å; L912-L914 HydrophobicContact CD2-CD2 3.44Å; L912-L914 VanDerWaalsContact CD2-CD2 3.44Å; L912-L914 HydrophobicContact CD2-CG 3.92Å; L912-L914 PolarHBondContact O-N 3.27Å; L912-D959 HydrophobicContact CD1-CB 4.44Å; L912-L961 HydrophobicContact CD1-CD1 3.93Å | ||
| 913 | E | 69.6 | Low | 61.1 | Low | 116 Ų | 116 | 58.2 Ų | 58.2 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | trans | -81.1 | 84.4 | -176.7 | -70.3 | -171.2 | -168 | 0 | 0 | 110.6 | S915 D959 | E913-S915 PolarHBondContact O-N 2.6Å; E913-D959 PolarHBondContact N-OD2 3Å | ||
| 914 | L | 72.6 | Confident | 59.2 | Low | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | trans | -64.1 | 57 | 173.2 | -66.6 | 176.8 | 0 | 0 | 0 | 113.1 | H826 E827 W830 L912 | H826-L914 PolarHBondContact CE1-O 3.26Å; E827-L914 HydrophobicContact CG-CD1 3.98Å; W830-L914 HydrophobicContact CD2-CD2 3.88Å; W830-L914 HydrophobicContact CE3-CD2 3.76Å; W830-L914 HydrophobicContact CH2-CD2 3.47Å; W830-L914 VanDerWaalsContact CH2-CD2 3.47Å; W830-L914 HydrophobicContact CZ2-CD2 3.61Å; W830-L914 HydrophobicContact CZ3-CD2 3.57Å; L912-L914 HydrophobicContact CD2-CD2 3.44Å; L912-L914 VanDerWaalsContact CD2-CD2 3.44Å; L912-L914 HydrophobicContact CD2-CG 3.92Å; L912-L914 PolarHBondContact O-N 3.27Å | ||
| 915 | S | 60.2 | Low | 57.1 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | trans | -77.6 | 149.9 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | W830 E913 A917 | W830-S915 PolarHBondContact NE1-O 2.9Å; E913-S915 PolarHBondContact O-N 2.6Å; S915-A917 PolarHBondContact O-N 3.46Å | ||
| 916 | N | 50.9 | Low | 55 | Low | 102 Ų | 102 | 63.7 Ų | 63.7 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | trans | -75.5 | 49.1 | 170.3 | -77.7 | -46.8 | 0 | 0 | 0 | 112 | H826 A918 | H826-N916 PolarHBondContact NE2-ND2 3.3Å; N916-A918 VanDerWaalsContact C-N 3.27Å; N916-A918 PolarHBondContact O-N 3.45Å | ||
| 917 | A | 45.3 | Very low | 52.9 | Low | 62 Ų | 62 | 71 Ų | 71 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | trans | -67.6 | 89.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S915 | S915-A917 PolarHBondContact O-N 3.46Š| ||
| 918 | A | 39.8 | Very low | 50.5 | Low | 78 Ų | 78 | 73 Ų | 73 | 65% | 0.645 | 42% | 0.415 | S | S | * | . | trans | -46.6 | 141.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N916 A920 | N916-A918 VanDerWaalsContact C-N 3.27Å; N916-A918 PolarHBondContact O-N 3.45Å; A918-A920 PolarHBondContact O-N 3.24Å | ||
| 919 | F | 41.7 | Very low | 47.9 | Very low | 17 Ų | 17 | 76.5 Ų | 76.5 | 8% | 0.075 | 44% | 0.437 | C | S | . | . | trans | -58.5 | 97.1 | 175.3 | -157.2 | -78.9 | 0 | 0 | 0 | 108.8 | L838 S921 | L838-F919 HydrophobicContact CD2-CE2 3.74Å; L838-F919 HydrophobicContact CD2-CZ 3.66Å; L838-F919 HydrophobicContact CG-CE2 3.8Å; L838-F919 HydrophobicContact CG-CZ 4.13Å; F919-S921 PolarHBondContact O-N 3.11Å; F919-S921 PolarHBondContact O-OG 3.36Å | ||
| 920 | A | 40 | Very low | 45.6 | Very low | 52 Ų | 52 | 82.5 Ų | 82.5 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | trans | -79.9 | 35.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A918 S922 Q1339 | A918-A920 PolarHBondContact O-N 3.24Å; A920-S922 PolarHBondContact O-N 3.09Å; A920-Q1339 HydrophobicContact CB-CB 4Å; A920-Q1339 HydrophobicContact CB-CG 3.58Å | ||
| 921 | S | 37.2 | Very low | 43.1 | Very low | 23 Ų | 23 | 84.8 Ų | 84.8 | 16% | 0.161 | 49% | 0.485 | C | S | . | . | trans | -42.9 | 131.6 | 140.6 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | F919 F923 E952 | F919-S921 PolarHBondContact O-N 3.11Å; F919-S921 PolarHBondContact O-OG 3.36Å; S921-F923 PolarHBondContact O-N 3.36Å; S921-E952 WeakPolarHBondContact CA-OE1 3.43Å; S921-E952 WeakPolarHBondContact CA-OE2 3.13Å | ||
| 922 | S | 35 | Very low | 41 | Very low | 30 Ų | 30 | 88.7 Ų | 88.7 | 21% | 0.21 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 41.7 | -177.8 | 42.3 | 0 | 0 | 0 | 0 | 112.5 | A920 S948 E952 | A920-S922 PolarHBondContact O-N 3.09Å; S922-S948 PolarHBondContact OG-N 2.69Å; S922-S948 PolarHBondContact OG-OG 3.48Å; S922-S948 VanDerWaalsContact OG-OG 3.05Å; S922-E952 WeakPolarHBondContact CB-OE1 3.47Å; S922-E952 PolarHBondContact N-OE1 3.45Å; S922-E952 PolarHBondContact OG-OE1 2.98Å |
| 923 | F | 34.1 | Very low | 39 | Very low | 50 Ų | 50 | 93.5 Ų | 93.5 | 22% | 0.219 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -10.6 | -165.5 | -103.4 | -73.2 | 0 | 0 | 0 | 115.2 | Y730 S921 P947 | Y730-F923 AromaticContact CD1-CZ 3.99Å; Y730-F923 HydrophobicContact CD1-CZ 3.99Å; Y730-F923 HydrophobicContact CD2-CE1 4.48Å; Y730-F923 AromaticContact CD2-CZ 3.67Å; Y730-F923 HydrophobicContact CD2-CZ 3.67Å; Y730-F923 HydrophobicContact CE1-CE1 4.38Å; Y730-F923 AromaticContact CE1-CZ 3.9Å; Y730-F923 HydrophobicContact CE1-CZ 3.9Å; Y730-F923 AromaticContact CE2-CE1 3.99Å; Y730-F923 HydrophobicContact CE2-CE1 3.99Å; Y730-F923 AromaticContact CE2-CZ 3.61Å; Y730-F923 HydrophobicContact CE2-CZ 3.61Å; Y730-F923 AromaticContact CG-CZ 3.86Å; Y730-F923 HydrophobicContact CG-CZ 3.86Å; Y730-F923 AromaticContact CZ-CE1 3.93Å; Y730-F923 AromaticContact CZ-CZ 3.72Å; S921-F923 PolarHBondContact O-N 3.36Å; F923-P947 HydrophobicContact CD2-CB 4.13Å; F923-P947 HydrophobicContact CE2-CB 3.62Å; F923-P947 HydrophobicContact CE2-CG 3.99Å; F923-P947 HydrophobicContact CZ-CB 4.07Å; F923-P947 HydrophobicContact CZ-CG 3.94Å |
| 924 | I | 31.6 | Very low | 37.2 | Very low | 106 Ų | 106 | 91.4 Ų | 91.4 | 54% | 0.544 | 55% | 0.549 | S | S | . | . | trans | -131.6 | 73.3 | -165.6 | -45 | -178.1 | 0 | 0 | 0 | 112.4 | ||||
| 925 | Q | 29 | Very low | 35.2 | Very low | 164 Ų | 164 | 99.8 Ų | 99.8 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -136.8 | 39.6 | 160.3 | -70.3 | -152.7 | -6 | 0 | 0 | 115.6 | ||
| 926 | S | 26.2 | Very low | 33.8 | Very low | 63 Ų | 63 | 107.6 Ų | 107.6 | 44% | 0.441 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -163.8 | 94.6 | 147.1 | 64 | 0 | 0 | 0 | 0 | 113.9 | ||
| 927 | E | 28.3 | Very low | 33 | Very low | 156 Ų | 156 | 109.3 Ų | 109.3 | 73% | 0.729 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -158.7 | -37.5 | 155.2 | -129.5 | 135 | -129.6 | 0 | 0 | 113.8 | V929 | E927-V929 VanDerWaalsContact C-N 3.3Å; E927-V929 PolarHBondContact O-N 3.02Å |
| 928 | N | 27.1 | Very low | 32.3 | Very low | 173 Ų | 173 | 116.2 Ų | 116.2 | 93% | 0.925 | 63% | 0.632 | S | S | * | * | trans | -76.7 | 75.2 | 177 | -74.1 | 1.7 | 0 | 0 | 0 | 113.1 | ||||
| 929 | V | 28 | Very low | 32 | Very low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | trans | -113.4 | 113.8 | 151.9 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | E927 D931 | E927-V929 VanDerWaalsContact C-N 3.3Å; E927-V929 PolarHBondContact O-N 3.02Å; V929-D931 VanDerWaalsContact C-N 3.32Å; V929-D931 PolarHBondContact O-N 3.26Å | ||
| 930 | T | 28.6 | Very low | 31.5 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 68% | 0.682 | S | S | * | * | trans | -73.9 | 83.5 | 177.9 | 35 | 0 | 0 | 0 | 0 | 110.6 | L932 | T930-L932 VanDerWaalsContact C-N 3.31Å; T930-L932 PolarHBondContact O-N 3.01Å | ||
| 931 | D | 27.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -66.7 | 85.6 | 177.9 | -104.7 | -6.2 | 0 | 0 | 0 | 111.3 | V929 S933 | V929-D931 VanDerWaalsContact C-N 3.32Å; V929-D931 PolarHBondContact O-N 3.26Å; D931-S933 PolarHBondContact O-N 3.47Å | ||
| 932 | L | 32.5 | Very low | 30.9 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -65.6 | 101.9 | 166 | -82.7 | 167.9 | 0 | 0 | 0 | 109.6 | T930 | T930-L932 VanDerWaalsContact C-N 3.31Å; T930-L932 PolarHBondContact O-N 3.01Å | ||
| 933 | S | 33.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 83.5 | 133 | 167.9 | 80.2 | 0 | 0 | 0 | 0 | 118.9 | D931 | D931-S933 PolarHBondContact O-N 3.47Š|
| 934 | G | 31.2 | Very low | 30.8 | Very low | 71 Ų | 71 | 151.7 Ų | 151.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | 107.9 | 59.1 | 128.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 935 | K | 31.1 | Very low | 31 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | 37.9 | 101.1 | 149.1 | -62.9 | 179.5 | 178.2 | 179.3 | 0 | 117.5 | ||||
| 936 | R | 31.7 | Very low | 31.4 | Very low | 230 Ų | 230 | 149 Ų | 149 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | -174.2 | 145.5 | 125.3 | -106.4 | 169.5 | 179.9 | 137.1 | 0.3 | 116.2 | |||||
| 937 | D | 33.2 | Very low | 32 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 61.1 | 100.8 | 148.1 | -51.3 | -25 | 0 | 0 | 0 | 120.5 | K939 | D937-K939 PolarHBondContact O-N 3.41Å; D937-K939 VanDerWaalsContact O-N 3.08Å | ||
| 938 | K | 31.4 | Very low | 32.6 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | -60.7 | 101.3 | 166 | -64.8 | -174.9 | 176.5 | -168.2 | 0 | 111.4 | ||||
| 939 | K | 33.5 | Very low | 33.3 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | trans | 179.3 | 80.5 | 147.8 | -102.5 | 163.6 | -175.9 | 177.1 | 0 | 112 | D937 | D937-K939 PolarHBondContact O-N 3.41Å; D937-K939 VanDerWaalsContact O-N 3.08Å | ||
| 940 | R | 30.5 | Very low | 34.1 | Very low | 242 Ų | 242 | 132.9 Ų | 132.9 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | trans | -119.4 | 127.9 | 160 | -86.9 | -175.8 | 169.4 | 173.2 | -1.5 | 108.9 | T942 | R940-T942 PolarHBondContact O-N 2.78Š| ||
| 941 | K | 33.8 | Very low | 35.2 | Very low | 211 Ų | 211 | 131.8 Ų | 131.8 | 92% | 0.917 | 65% | 0.653 | S | S | * | * | trans | -67.9 | 119 | 169.1 | -68.7 | -175.1 | 173 | -170.3 | 0 | 107.8 | L943 | K941-L943 PolarHBondContact O-N 3.33Š| ||
| 942 | T | 30.9 | Very low | 36.3 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 56% | 0.558 | 62% | 0.62 | S | S | * | * | trans | -55.6 | 134.5 | 163.5 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | R940 I944 | R940-T942 PolarHBondContact O-N 2.78Å; T942-I944 VanDerWaalsContact C-N 3.33Å; T942-I944 PolarHBondContact O-N 3.49Å | ||
| 943 | L | 31.4 | Very low | 37.3 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | trans | -82.8 | 87.4 | 178.9 | -168.1 | 80.1 | 0 | 0 | 0 | 107 | K941 E945 | K941-L943 PolarHBondContact O-N 3.33Å; L943-E945 VanDerWaalsContact C-N 3.32Å; L943-E945 PolarHBondContact O-N 3.39Å | ||
| 944 | I | 34.5 | Very low | 38.7 | Very low | 141 Ų | 141 | 114 Ų | 114 | 72% | 0.723 | 55% | 0.551 | S | S | * | * | trans | -60.8 | 97.5 | 177.4 | -55.8 | 175.4 | 0 | 0 | 0 | 108.1 | T942 K946 | T942-I944 VanDerWaalsContact C-N 3.33Å; T942-I944 PolarHBondContact O-N 3.49Å; I944-K946 PolarHBondContact O-N 2.83Å | ||
| 945 | E | 36.9 | Very low | 40.3 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 128.1 | 167.9 | -61.5 | -153.4 | 121.3 | 0 | 0 | 107.5 | L943 | L943-E945 VanDerWaalsContact C-N 3.32Å; L943-E945 PolarHBondContact O-N 3.39Å |
| 946 | K | 37.5 | Very low | 41.7 | Very low | 134 Ų | 134 | 102.7 Ų | 102.7 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 127.1 | 172.9 | -79 | -169.8 | 169.1 | -165.9 | 0 | 107.9 | E733 I944 S948 | E733-K946 IonicContact OE2-NZ 2.75Å; E733-K946 PolarHBondContact OE2-NZ 3.45Å; I944-K946 PolarHBondContact O-N 2.83Å; K946-S948 PolarHBondContact O-N 3Å |
| 947 | P | 38.2 | Very low | 43.4 | Very low | 12 Ų | 12 | 94.8 Ų | 94.8 | 8% | 0.078 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.2 | 166.2 | 24.3 | -30.9 | 0 | 0 | 0 | 108.9 | Y730 F923 | Y730-P947 HydrophobicContact CD1-CG 3.49Å; Y730-P947 VanDerWaalsContact CD1-CG 3.49Å; Y730-P947 HydrophobicContact CE1-CG 3.81Å; Y730-P947 HydrophobicContact CG-CG 4.33Å; F923-P947 HydrophobicContact CD2-CB 4.13Å; F923-P947 HydrophobicContact CE2-CB 3.62Å; F923-P947 HydrophobicContact CE2-CG 3.99Å; F923-P947 HydrophobicContact CZ-CB 4.07Å; F923-P947 HydrophobicContact CZ-CG 3.94Å |
| 948 | S | 40.6 | Very low | 45.2 | Very low | 47 Ų | 47 | 88.8 Ų | 88.8 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -73 | 141.1 | -177 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | S922 K946 S950 | S922-S948 PolarHBondContact OG-N 2.69Å; S922-S948 PolarHBondContact OG-OG 3.48Å; S922-S948 VanDerWaalsContact OG-OG 3.05Å; K946-S948 PolarHBondContact O-N 3Å; S948-S950 PolarHBondContact O-N 2.84Å; S948-S950 PolarHBondContact OG-OG 3Å; S948-S950 VanDerWaalsContact OG-OG 3.08Å |
| 949 | L | 42.7 | Very low | 46.8 | Very low | 84 Ų | 84 | 81 Ų | 81 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -65 | 5.3 | 177.8 | -80 | 170 | 0 | 0 | 0 | 114.8 | E733 | E733-L949 HydrophobicContact CG-CD1 3.89Å; E733-L949 HydrophobicContact CG-CD2 4.01Å; E733-L949 HydrophobicContact CG-CG 3.91Å |
| 950 | S | 44.7 | Very low | 48.3 | Very low | 28 Ų | 28 | 73.1 Ų | 73.1 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -72.5 | 152.5 | 174 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | S948 E952 K1340 | S948-S950 PolarHBondContact O-N 2.84Å; S948-S950 PolarHBondContact OG-OG 3Å; S948-S950 VanDerWaalsContact OG-OG 3.08Å; S950-E952 VanDerWaalsContact C-N 3.29Å; S950-E952 PolarHBondContact O-N 2.97Å; S950-K1340 VanDerWaalsContact CB-NZ 3.25Å; S950-K1340 PolarHBondContact OG-NZ 2.75Å |
| 951 | I | 51.7 | Low | 50.5 | Low | 110 Ų | 110 | 61.6 Ų | 61.6 | 56% | 0.564 | 33% | 0.325 | S | S | * | . | trans | -71.8 | 86.7 | 178.8 | -58.4 | 168 | 0 | 0 | 0 | 108.2 | P953 | I951-P953 WeakPolarHBondContact O-CD 3.32Š| ||
| 952 | E | 51 | Low | 52.9 | Low | 24 Ų | 24 | 51.8 Ų | 51.8 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | trans | -66.6 | 120.8 | 171.4 | -69.2 | -175.5 | 179.4 | 0 | 0 | 109 | S921 S922 S950 | S921-E952 WeakPolarHBondContact CA-OE1 3.43Å; S921-E952 WeakPolarHBondContact CA-OE2 3.13Å; S922-E952 WeakPolarHBondContact CB-OE1 3.47Å; S922-E952 PolarHBondContact N-OE1 3.45Å; S922-E952 PolarHBondContact OG-OE1 2.98Å; S950-E952 VanDerWaalsContact C-N 3.29Å; S950-E952 PolarHBondContact O-N 2.97Å | ||
| 953 | P | 54 | Low | 55.6 | Low | 28 Ų | 28 | 47.5 Ų | 47.5 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -65.4 | 140.8 | -179.4 | 24.5 | -32.3 | 0 | 0 | 0 | 111.3 | I951 Y955 | I951-P953 WeakPolarHBondContact O-CD 3.32Å; P953-Y955 HydrophobicContact CB-CD1 3.53Å; P953-Y955 HydrophobicContact CB-CE1 3.28Å; P953-Y955 HydrophobicContact CB-CE2 4.44Å; P953-Y955 HydrophobicContact CB-CG 4.23Å; P953-Y955 HydrophobicContact CG-CE1 4.46Å; P953-Y955 PolarHBondContact O-N 2.87Å | ||
| 954 | A | 61.1 | Low | 58.2 | Low | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -80.4 | 36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F842 | F842-A954 HydrophobicContact CE1-CB 4.39Å; F842-A954 HydrophobicContact CZ-CB 4.36Å |
| 955 | Y | 65.6 | Low | 60.8 | Low | 32 Ų | 32 | 35.7 Ų | 35.7 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -154.8 | 146.1 | 179.2 | 63.7 | -84.5 | 0 | 0 | 0 | 109.3 | R772 P953 L957 N962 L963 | R772-Y955 HydrophobicContact CG-CD1 4.48Å; R772-Y955 VanDerWaalsContact NH1-CE1 3.26Å; P953-Y955 HydrophobicContact CB-CD1 3.53Å; P953-Y955 HydrophobicContact CB-CE1 3.28Å; P953-Y955 HydrophobicContact CB-CE2 4.44Å; P953-Y955 HydrophobicContact CB-CG 4.23Å; P953-Y955 HydrophobicContact CG-CE1 4.46Å; P953-Y955 PolarHBondContact O-N 2.87Å; Y955-L957 HydrophobicContact CE2-CD2 4.02Å; Y955-L957 HydrophobicContact CE2-CG 4.17Å; Y955-N962 HydrophobicContact CD2-CB 3.67Å; Y955-N962 HydrophobicContact CE2-CB 4.08Å; Y955-N962 VanDerWaalsContact CE2-CG 3.45Å; Y955-N962 WeakPolarHBondContact CE2-OD1 3.5Å; Y955-L963 CarbonylContact C-O 3.35Å; Y955-L963 VanDerWaalsContact CA-O 3.28Å; Y955-L963 WeakPolarHBondContact CA-O 3.41Å; Y955-L963 WeakPolarHBondContact CB-O 3.26Å |
| 956 | G | 61.4 | Low | 63.2 | Low | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 172 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N962 L963 | G956-N962 CarbonylContact O-C 3.59Å; G956-N962 WeakPolarHBondContact O-CA 3.36Å; G956-L963 PolarHBondContact N-O 2.81Å; G956-L963 PolarHBondContact O-N 2.67Å |
| 957 | L | 67.5 | Low | 65.3 | Low | 65 Ų | 65 | 27.4 Ų | 27.4 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 125.5 | 178.3 | -81 | 169.4 | 0 | 0 | 0 | 110.7 | Y955 L961 | Y955-L957 HydrophobicContact CE2-CD2 4.02Å; Y955-L957 HydrophobicContact CE2-CG 4.17Å; L957-L961 WeakPolarHBondContact CA-O 3.43Å |
| 958 | S | 69.8 | Low | 67.4 | Low | 13 Ų | 13 | 26.8 Ų | 26.8 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124.8 | 171.2 | -158.8 | 0 | 0 | 0 | 0 | 109.1 | G960 L961 | S958-G960 PolarHBondContact O-N 2.96Å; S958-L961 PolarHBondContact N-O 3.28Å; S958-L961 VanDerWaalsContact N-O 3.11Å; S958-L961 WeakPolarHBondContact O-CB 3.28Å; S958-L961 PolarHBondContact O-N 3.02Å |
| 959 | D | 66.3 | Low | 69.7 | Low | 42 Ų | 42 | 24.6 Ų | 24.6 | 23% | 0.225 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 22.5 | 179.7 | -72.5 | -44.2 | 0 | 0 | 0 | 117.8 | R905 L912 E913 | R905-D959 HydrophobicContact CB-CB 4.34Å; R905-D959 WeakPolarHBondContact CB-O 3.29Å; R905-D959 WeakPolarHBondContact CD-O 3.13Å; R905-D959 VanDerWaalsContact CG-O 3.25Å; R905-D959 WeakPolarHBondContact CG-O 3.5Å; R905-D959 PolarHBondContact N-O 3.16Å; L912-D959 HydrophobicContact CD1-CB 4.44Å; E913-D959 PolarHBondContact N-OD2 3Å |
| 960 | G | 63.3 | Low | 71.7 | Confident | 35 Ų | 35 | 21.2 Ų | 21.2 | 36% | 0.361 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 2.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | S958 | S958-G960 PolarHBondContact O-N 2.96Š|
| 961 | L | 77.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142 | 163.3 | -64.4 | 171.5 | 0 | 0 | 0 | 109.9 | V782 F796 F875 R877 L912 L957 S958 | V782-L961 HydrophobicContact CG2-CD1 3.77Å; V782-L961 HydrophobicContact CG2-CD2 3.76Å; V782-L961 HydrophobicContact CG2-CG 4.42Å; F796-L961 HydrophobicContact CD2-CD1 3.92Å; F796-L961 HydrophobicContact CE2-CD1 4.05Å; F875-L961 HydrophobicContact CB-CD1 4.25Å; F875-L961 HydrophobicContact CD1-CB 4.25Å; F875-L961 HydrophobicContact CD1-CD1 4.12Å; R877-L961 HydrophobicContact CG-CD2 3.62Å; L912-L961 HydrophobicContact CD1-CD1 3.93Å; L957-L961 WeakPolarHBondContact CA-O 3.43Å; S958-L961 PolarHBondContact N-O 3.28Å; S958-L961 VanDerWaalsContact N-O 3.11Å; S958-L961 WeakPolarHBondContact O-CB 3.28Å; S958-L961 PolarHBondContact O-N 3.02Å |
| 962 | N | 84.3 | Confident | 74.4 | Confident | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.5 | 169.3 | -63.3 | -11 | 0 | 0 | 0 | 109.4 | F875 S876 Y955 G956 | F875-N962 CarbonylContact C-O 3.38Å; F875-N962 VanDerWaalsContact CA-O 3.31Å; F875-N962 WeakPolarHBondContact CA-O 3.42Å; S876-N962 PolarHBondContact N-O 2.95Å; S876-N962 PolarHBondContact O-N 3.41Å; Y955-N962 HydrophobicContact CD2-CB 3.67Å; Y955-N962 HydrophobicContact CE2-CB 4.08Å; Y955-N962 VanDerWaalsContact CE2-CG 3.45Å; Y955-N962 WeakPolarHBondContact CE2-OD1 3.5Å; G956-N962 CarbonylContact O-C 3.59Å; G956-N962 WeakPolarHBondContact O-CA 3.36Å |
| 963 | L | 86.9 | Confident | 75.7 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.7 | 171.8 | -78.3 | 80.4 | 0 | 0 | 0 | 110.7 | W830 Q834 V874 F875 Y955 G956 | W830-L963 HydrophobicContact CH2-CD2 3.74Å; W830-L963 HydrophobicContact CZ3-CD2 4.18Å; Q834-L963 HydrophobicContact CG-CD2 4.41Å; V874-L963 WeakPolarHBondContact O-CA 3.33Å; F875-L963 HydrophobicContact CD1-CD1 3.85Å; F875-L963 HydrophobicContact CD1-CG 4.01Å; F875-L963 HydrophobicContact CE1-CD1 3.75Å; F875-L963 HydrophobicContact CE1-CD2 3.94Å; F875-L963 HydrophobicContact CE1-CG 3.89Å; F875-L963 HydrophobicContact CE2-CD2 4.32Å; F875-L963 HydrophobicContact CG-CG 4.39Å; F875-L963 HydrophobicContact CZ-CD1 4.46Å; F875-L963 HydrophobicContact CZ-CD2 3.81Å; F875-L963 HydrophobicContact CZ-CG 4.15Å; Y955-L963 CarbonylContact C-O 3.35Å; Y955-L963 VanDerWaalsContact CA-O 3.28Å; Y955-L963 WeakPolarHBondContact CA-O 3.41Å; Y955-L963 WeakPolarHBondContact CB-O 3.26Å; G956-L963 PolarHBondContact N-O 2.81Å; G956-L963 PolarHBondContact O-N 2.67Å |
| 964 | D | 87.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 168.4 | 174.3 | -65.9 | -83.2 | 0 | 0 | 0 | 110.4 | V771 R772 V874 L969 | V771-D964 HydrophobicContact CB-CB 4.43Å; V771-D964 HydrophobicContact CG1-CB 4.29Å; R772-D964 WeakPolarHBondContact CG-OD1 3.38Å; V874-D964 HydrophobicContact CB-CB 4.47Å; V874-D964 PolarHBondContact N-O 3.47Å; V874-D964 PolarHBondContact O-N 3.11Å; D964-L969 HydrophobicContact CB-CD1 4.31Å |
| 965 | L | 88 | Confident | 77.6 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 140.8 | 170.8 | -65.6 | 175.6 | 0 | 0 | 0 | 110.1 | L835 L838 K839 F842 F850 L873 G967 V968 L969 | L835-L965 HydrophobicContact CD2-CD2 3.69Å; L838-L965 HydrophobicContact CB-CD1 3.92Å; L838-L965 HydrophobicContact CB-CD2 4.06Å; L838-L965 HydrophobicContact CB-CG 3.98Å; L838-L965 HydrophobicContact CD1-CD2 3.92Å; L838-L965 HydrophobicContact CD1-CG 4.15Å; K839-L965 HydrophobicContact CG-CD1 4.16Å; F842-L965 HydrophobicContact CD2-CD1 3.89Å; F842-L965 HydrophobicContact CE2-CD1 4.04Å; F842-L965 HydrophobicContact CE2-CG 4.44Å; F850-L965 HydrophobicContact CD2-CD1 4.21Å; F850-L965 HydrophobicContact CE1-CD1 4.18Å; F850-L965 HydrophobicContact CE2-CD1 3.59Å; F850-L965 HydrophobicContact CZ-CB 4.48Å; F850-L965 HydrophobicContact CZ-CD1 3.57Å; L873-L965 HydrophobicContact CD2-CD2 4.1Å; L965-G967 PolarHBondContact O-N 3.38Å; L965-V968 HydrophobicContact CB-CG2 4.34Å; L965-V968 VanDerWaalsContact O-CG2 3.25Å; L965-V968 WeakPolarHBondContact O-CG2 3.3Å; L965-V968 PolarHBondContact O-N 3.27Å; L965-L969 VanDerWaalsContact O-CD1 3.32Å; L965-L969 WeakPolarHBondContact O-CD1 3.34Å |
| 966 | L | 87.1 | Confident | 78 | Confident | 13 Ų | 13 | 23.4 Ų | 23.4 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -53.8 | -38.6 | 179.4 | 177.3 | 56.9 | 0 | 0 | 0 | 112.7 | F751 L760 I868 V872 V874 V968 L969 | F751-L966 HydrophobicContact CD2-CD1 4.17Å; F751-L966 HydrophobicContact CE2-CD1 4.12Å; L760-L966 HydrophobicContact CD2-CD1 3.99Å; L760-L966 HydrophobicContact CD2-CD2 3.71Å; I868-L966 HydrophobicContact CG2-CD2 3.89Å; V872-L966 HydrophobicContact CB-CB 3.86Å; V872-L966 HydrophobicContact CB-CD2 3.95Å; V872-L966 HydrophobicContact CG1-CB 4.17Å; V872-L966 HydrophobicContact CG1-CD2 4.22Å; V872-L966 HydrophobicContact CG2-CD2 4.26Å; V872-L966 PolarHBondContact O-N 2.91Å; V874-L966 HydrophobicContact CG2-CB 4.2Å; L966-V968 PolarHBondContact O-N 3.42Å; L966-L969 HydrophobicContact CD1-CD2 4.02Å; L966-L969 PolarHBondContact O-N 2.91Å |
| 967 | G | 81.1 | Confident | 78.2 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -65.2 | -1.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L965 | L965-G967 PolarHBondContact O-N 3.38Š|
| 968 | V | 84 | Confident | 77.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -122.7 | 19 | 173.4 | -62 | 0 | 0 | 0 | 0 | 113.9 | F842 F850 L965 L966 | F842-V968 HydrophobicContact CE1-CG1 4.24Å; F842-V968 HydrophobicContact CZ-CG1 4.32Å; F842-V968 HydrophobicContact CZ-CG2 3.99Å; F850-V968 HydrophobicContact CE1-CG1 4.03Å; F850-V968 HydrophobicContact CZ-CG1 3.87Å; L965-V968 HydrophobicContact CB-CG2 4.34Å; L965-V968 VanDerWaalsContact O-CG2 3.25Å; L965-V968 WeakPolarHBondContact O-CG2 3.3Å; L965-V968 PolarHBondContact O-N 3.27Å; L966-V968 PolarHBondContact O-N 3.42Å |
| 969 | L | 87.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 135.6 | 169.5 | -89.6 | 60 | 0 | 0 | 0 | 110.9 | L718 F751 I764 I769 V771 V874 D964 L965 L966 | L718-L969 WeakPolarHBondContact CD2-O 3.47Å; F751-L969 HydrophobicContact CE2-CB 3.88Å; F751-L969 HydrophobicContact CZ-CB 3.98Å; I764-L969 HydrophobicContact CD1-CD2 4.08Å; I769-L969 HydrophobicContact CD1-CD2 4.08Å; I769-L969 HydrophobicContact CD1-CG 4.49Å; V771-L969 HydrophobicContact CG1-CD1 3.67Å; V771-L969 HydrophobicContact CG1-CG 3.87Å; V874-L969 HydrophobicContact CB-CD1 4.37Å; V874-L969 HydrophobicContact CG1-CD1 4.5Å; V874-L969 HydrophobicContact CG1-CD2 4.17Å; V874-L969 HydrophobicContact CG2-CD1 3.98Å; V874-L969 HydrophobicContact CG2-CD2 3.99Å; D964-L969 HydrophobicContact CB-CD1 4.31Å; L965-L969 VanDerWaalsContact O-CD1 3.32Å; L965-L969 WeakPolarHBondContact O-CD1 3.34Å; L966-L969 HydrophobicContact CD1-CD2 4.02Å; L966-L969 PolarHBondContact O-N 2.91Å |
| 970 | L | 85.6 | Confident | 77.3 | Confident | 14 Ų | 14 | 24.9 Ų | 24.9 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 130 | 163.7 | -62.4 | -177.2 | 0 | 0 | 0 | 109.5 | R717 L718 I769 R770 C776 | R717-L970 HydrophobicContact CB-CD1 4.16Å; R717-L970 HydrophobicContact CB-CD2 3.66Å; R717-L970 WeakPolarHBondContact O-CD2 3.34Å; L718-L970 HydrophobicContact CD2-CD2 3.64Å; L718-L970 HydrophobicContact CG-CD2 3.75Å; I769-L970 WeakPolarHBondContact CG1-O 3.2Å; R770-L970 HydrophobicContact CB-CB 4.01Å; R770-L970 HydrophobicContact CB-CD1 4.1Å; R770-L970 HydrophobicContact CB-CG 4.32Å; R770-L970 PolarHBondContact O-N 3.42Å; C776-L970 HydrophobicContact CB-CD1 4.36Å; C776-L970 VanDerWaalsContact SG-CD1 3.53Å |
| 971 | P | 75.9 | Confident | 76.7 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 161.1 | 176.5 | 32.3 | -38.6 | 0 | 0 | 0 | 112.5 | H748 E750 F751 | H748-P971 VanDerWaalsContact CE1-CG 3.45Å; H748-P971 WeakPolarHBondContact CE1-CG 2.93Å; E750-P971 HydrophobicContact CB-CB 3.82Å; E750-P971 HydrophobicContact CB-CG 3.88Å; E750-P971 HydrophobicContact CG-CB 4.24Å; E750-P971 HydrophobicContact CG-CG 3.96Å; F751-P971 HydrophobicContact CD1-CB 4.35Å; F751-P971 HydrophobicContact CE1-CB 3.69Å; F751-P971 HydrophobicContact CZ-CB 3.85Å |
| 972 | G | 76.2 | Confident | 76 | Confident | 54 Ų | 54 | 28.8 Ų | 28.8 | 56% | 0.557 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 84.9 | 161.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 973 | I | 78.6 | Confident | 75.2 | Confident | 68 Ų | 68 | 32 Ų | 32 | 35% | 0.349 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 119.8 | 176.3 | -60.6 | 174.4 | 0 | 0 | 0 | 107.8 | P768 W986 | P768-I973 HydrophobicContact CB-CG2 4.43Å; I973-W986 HydrophobicContact CG2-CG 4.35Å |
| 974 | P | 80.2 | Confident | 74.4 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 5% | 0.045 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 157.2 | -179 | 30.1 | -36 | 0 | 0 | 0 | 111.2 | P768 R770 T778 W986 | P768-P974 VanDerWaalsContact O-CD 3.31Å; P768-P974 WeakPolarHBondContact O-CD 3.37Å; R770-P974 HydrophobicContact CG-CB 3.84Å; R770-P974 HydrophobicContact CG-CG 4.15Å; T778-P974 HydrophobicContact CG2-CG 4.03Å; P974-W986 PolarHBondContact O-NE1 3.26Å |
| 975 | P | 75.6 | Confident | 73.9 | Confident | 66 Ų | 66 | 35 Ų | 35 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 139.5 | 171.5 | 25.5 | -34 | 0 | 0 | 0 | 111 | D710 | D710-P975 HydrophobicContact CB-CG 4.36Š|
| 976 | P | 72.4 | Confident | 73.3 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 138.1 | -177.8 | 29.1 | -34.8 | 0 | 0 | 0 | 111.3 | W882 V984 W986 | W882-P976 HydrophobicContact CH2-CB 4.28Å; P976-V984 HydrophobicContact CB-CG2 4.06Å; P976-V984 VanDerWaalsContact CG-O 3.25Å; P976-V984 WeakPolarHBondContact CG-O 3Å; P976-W986 HydrophobicContact CB-CD2 4.11Å; P976-W986 HydrophobicContact CB-CG 4.17Å; P976-W986 HydrophobicContact CB-CZ2 4.3Å |
| 977 | P | 66.7 | Low | 72.4 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 133.6 | -175 | 26.5 | -35.9 | 0 | 0 | 0 | 113.2 | L879 W882 I979 V984 | L879-P977 HydrophobicContact CD2-CG 4.11Å; W882-P977 HydrophobicContact CZ2-CG 4.1Å; P977-I979 PolarHBondContact O-N 3.02Å; P977-V984 WeakPolarHBondContact O-CG2 3.26Å |
| 978 | S | 61.8 | Low | 72 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 130.9 | 177.1 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | R41 G980 | R41-S978 PolarHBondContact NH2-OG 3.08Å; S978-G980 PolarHBondContact O-N 3.41Å |
| 979 | I | 62.7 | Low | 71.1 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 85 | 178.3 | -56.9 | 166.9 | 0 | 0 | 0 | 108.2 | W882 L897 P977 C981 V982 V984 V1274 T1278 I1280 | W882-I979 HydrophobicContact CB-CD1 4.09Å; W882-I979 HydrophobicContact CD2-CD1 3.78Å; W882-I979 HydrophobicContact CG-CD1 3.48Å; W882-I979 VanDerWaalsContact CG-CD1 3.48Å; L897-I979 HydrophobicContact CD1-CD1 3.76Å; P977-I979 PolarHBondContact O-N 3.02Å; I979-C981 PolarHBondContact O-N 2.88Å; I979-C981 VanDerWaalsContact O-N 3.15Å; I979-V982 HydrophobicContact CB-CB 4.35Å; I979-V982 PolarHBondContact N-O 3.19Å; I979-V982 WeakPolarHBondContact O-CB 3.46Å; I979-V982 PolarHBondContact O-N 3.09Å; I979-V984 HydrophobicContact CD1-CG1 3.61Å; I979-V984 HydrophobicContact CD1-CG2 4.23Å; I979-V984 HydrophobicContact CG1-CG1 4.47Å; I979-V984 HydrophobicContact CG1-CG2 4.4Å; I979-V1274 HydrophobicContact CG2-CG1 4.33Å; I979-T1278 HydrophobicContact CG1-CG2 4.47Å; I979-I1280 HydrophobicContact CG2-CD1 3.95Å; I979-I1280 HydrophobicContact CG2-CG1 4.25Å |
| 980 | G | 59.3 | Low | 70.4 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -113 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R41 S978 | R41-G980 PolarHBondContact NH1-O 3.24Å; S978-G980 PolarHBondContact O-N 3.41Å |
| 981 | C | 52.4 | Low | 69.9 | Low | 104 Ų | 104 | 50.8 Ų | 50.8 | 70% | 0.703 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.6 | 172.5 | 60 | 0 | 0 | 0 | 0 | 114.1 | I979 | I979-C981 PolarHBondContact O-N 2.88Å; I979-C981 VanDerWaalsContact O-N 3.15Å |
| 982 | V | 61.6 | Low | 69.8 | Low | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.085 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 113.3 | -179.9 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | L897 I979 I992 T996 | L897-V982 HydrophobicContact CD1-CG1 4.15Å; I979-V982 HydrophobicContact CB-CB 4.35Å; I979-V982 PolarHBondContact N-O 3.19Å; I979-V982 WeakPolarHBondContact O-CB 3.46Å; I979-V982 PolarHBondContact O-N 3.09Å; V982-I992 HydrophobicContact CG1-CD1 3.64Å; V982-I992 HydrophobicContact CG1-CG1 4.07Å; V982-T996 HydrophobicContact CG2-CG2 3.81Å |
| 983 | E | 66.7 | Low | 69.6 | Low | 72 Ų | 72 | 49.4 Ų | 49.4 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | trans | -74.2 | 123.2 | 162.1 | -68.5 | -177.8 | 140 | 0 | 0 | 109.8 | K990 I1697 | E983-K990 HydrophobicContact CB-CD 4.4Å; E983-K990 VanDerWaalsContact CB-NZ 3.26Å; E983-K990 VanDerWaalsContact O-CD 3.31Å; E983-K990 WeakPolarHBondContact O-CD 3.44Å; E983-K990 VanDerWaalsContact O-CE 3.28Å; E983-K990 WeakPolarHBondContact O-CE 3.5Å; E983-K990 IonicContact OE2-NZ 2.6Å; E983-K990 PolarHBondContact OE2-NZ 3.41Å; E983-I1697 HydrophobicContact CG-CD1 4.37Å; E983-I1697 VanDerWaalsContact OE1-CG2 3.24Å; E983-I1697 WeakPolarHBondContact OE1-CG2 3.25Å | ||
| 984 | V | 71.7 | Confident | 69.3 | Low | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | trans | -99.1 | 161 | 173.2 | -85 | 0 | 0 | 0 | 0 | 111.3 | W882 L897 P976 P977 I979 | W882-V984 HydrophobicContact CD2-CG1 4.44Å; W882-V984 HydrophobicContact CE3-CB 4.46Å; W882-V984 HydrophobicContact CE3-CG1 4.09Å; W882-V984 HydrophobicContact CH2-CB 3.94Å; W882-V984 HydrophobicContact CH2-CG1 4.43Å; W882-V984 HydrophobicContact CH2-CG2 3.8Å; W882-V984 HydrophobicContact CZ2-CB 4.41Å; W882-V984 HydrophobicContact CZ2-CG2 3.84Å; W882-V984 HydrophobicContact CZ3-CB 3.95Å; W882-V984 HydrophobicContact CZ3-CG1 4.07Å; W882-V984 HydrophobicContact CZ3-CG2 4.28Å; L897-V984 HydrophobicContact CB-CG1 3.86Å; L897-V984 HydrophobicContact CD1-CG1 3.72Å; L897-V984 HydrophobicContact CG-CG1 4.42Å; P976-V984 HydrophobicContact CB-CG2 4.06Å; P976-V984 VanDerWaalsContact CG-O 3.25Å; P976-V984 WeakPolarHBondContact CG-O 3Å; P977-V984 WeakPolarHBondContact O-CG2 3.26Å; I979-V984 HydrophobicContact CD1-CG1 3.61Å; I979-V984 HydrophobicContact CD1-CG2 4.23Å; I979-V984 HydrophobicContact CG1-CG1 4.47Å; I979-V984 HydrophobicContact CG1-CG2 4.4Å | ||
| 985 | D | 75.9 | Confident | 69 | Low | 52 Ų | 52 | 48.8 Ų | 48.8 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -122.4 | 135.5 | 171.4 | 165.4 | 34.7 | 0 | 0 | 0 | 107.8 | G987 Y988 N989 K990 | D985-G987 PolarHBondContact O-N 3.23Å; D985-G987 PolarHBondContact OD1-N 3.04Å; D985-G987 WeakPolarHBondContact OD2-CA 3.3Å; D985-G987 PolarHBondContact OD2-N 3.34Å; D985-Y988 PolarHBondContact O-N 3.11Å; D985-Y988 PolarHBondContact OD2-N 3.35Å; D985-N989 WeakPolarHBondContact OD2-CB 3.33Å; D985-N989 PolarHBondContact OD2-N 2.98Å; D985-N989 PolarHBondContact OD2-ND2 2.84Å; D985-K990 HydrophobicContact CB-CB 3.79Å | ||
| 986 | W | 76.7 | Confident | 68.8 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -36.8 | 170.9 | -71.1 | 119.4 | 0 | 0 | 0 | 111.2 | P768 T778 I802 L879 W882 P899 F901 I973 P974 P976 Y988 | P768-W986 HydrophobicContact CB-CH2 4.08Å; P768-W986 HydrophobicContact CB-CZ2 4.04Å; P768-W986 HydrophobicContact CB-CZ3 4.31Å; P768-W986 HydrophobicContact CG-CD2 4.2Å; P768-W986 HydrophobicContact CG-CE3 4Å; P768-W986 HydrophobicContact CG-CH2 4.35Å; P768-W986 HydrophobicContact CG-CZ3 4.08Å; T778-W986 HydrophobicContact CG2-CH2 3.89Å; T778-W986 HydrophobicContact CG2-CZ2 3.99Å; I802-W986 HydrophobicContact CD1-CB 4.36Å; I802-W986 WeakPolarHBondContact CD1-O 3.46Å; I802-W986 HydrophobicContact CG1-CB 4.17Å; I802-W986 HydrophobicContact CG2-CB 3.65Å; L879-W986 HydrophobicContact CD2-CH2 4.42Å; W882-W986 HydrophobicContact CH2-CE3 4.13Å; W882-W986 HydrophobicContact CH2-CZ3 4.09Å; W882-W986 HydrophobicContact CZ2-CZ3 4.43Å; P899-W986 HydrophobicContact CB-CE3 4.34Å; P899-W986 HydrophobicContact CB-CZ3 3.75Å; P899-W986 HydrophobicContact CG-CE3 3.9Å; P899-W986 HydrophobicContact CG-CZ3 3.75Å; F901-W986 HydrophobicContact CE2-CZ3 4.05Å; F901-W986 HydrophobicContact CZ-CH2 4.07Å; F901-W986 AromaticContact CZ-CZ3 3.97Å; F901-W986 HydrophobicContact CZ-CZ3 3.97Å; I973-W986 HydrophobicContact CG2-CG 4.35Å; P974-W986 PolarHBondContact O-NE1 3.26Å; P976-W986 HydrophobicContact CB-CD2 4.11Å; P976-W986 HydrophobicContact CB-CG 4.17Å; P976-W986 HydrophobicContact CB-CZ2 4.3Å; W986-Y988 WeakPolarHBondContact O-CD1 3.44Å; W986-Y988 WeakPolarHBondContact O-CE1 3.46Å; W986-Y988 PolarHBondContact O-N 3.14Å; W986-Y988 VanDerWaalsContact O-N 3.13Å |
| 987 | G | 67.7 | Low | 68.6 | Low | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 2.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D985 N989 | D985-G987 PolarHBondContact O-N 3.23Å; D985-G987 PolarHBondContact OD1-N 3.04Å; D985-G987 WeakPolarHBondContact OD2-CA 3.3Å; D985-G987 PolarHBondContact OD2-N 3.34Å; G987-N989 WeakPolarHBondContact CA-ND2 3.33Å; G987-N989 PolarHBondContact O-N 3.38Å; G987-N989 PolarHBondContact O-ND2 3.44Å; G987-N989 VanDerWaalsContact O-ND2 3.15Å |
| 988 | Y | 71.9 | Confident | 69.1 | Low | 50 Ų | 50 | 45.1 Ų | 45.1 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 60.6 | 8.6 | -177.4 | -38.2 | -36.1 | 0 | 0 | 0 | 114.8 | I802 T896 I898 P899 D985 W986 K990 | I802-Y988 HydrophobicContact CD1-CE1 3.89Å; I802-Y988 HydrophobicContact CD1-CE2 4.37Å; I802-Y988 VanDerWaalsContact CD1-OH 3.23Å; I802-Y988 WeakPolarHBondContact CD1-OH 3.45Å; T896-Y988 PolarHBondContact OG1-O 2.99Å; I898-Y988 HydrophobicContact CB-CD1 4.42Å; I898-Y988 HydrophobicContact CB-CE1 4.32Å; I898-Y988 HydrophobicContact CD1-CD2 3.93Å; I898-Y988 HydrophobicContact CD1-CE2 4.11Å; I898-Y988 HydrophobicContact CD1-CG 4.26Å; I898-Y988 HydrophobicContact CG1-CD1 3.98Å; I898-Y988 HydrophobicContact CG1-CD2 4.09Å; I898-Y988 HydrophobicContact CG1-CE1 4.28Å; I898-Y988 HydrophobicContact CG1-CE2 4.32Å; I898-Y988 HydrophobicContact CG1-CG 3.93Å; I898-Y988 HydrophobicContact CG2-CE1 4.04Å; I898-Y988 HydrophobicContact CG2-CE2 4.22Å; P899-Y988 HydrophobicContact CG-CE1 4.08Å; D985-Y988 PolarHBondContact O-N 3.11Å; D985-Y988 PolarHBondContact OD2-N 3.35Å; W986-Y988 WeakPolarHBondContact O-CD1 3.44Å; W986-Y988 WeakPolarHBondContact O-CE1 3.46Å; W986-Y988 PolarHBondContact O-N 3.14Å; W986-Y988 VanDerWaalsContact O-N 3.13Å; Y988-K990 VanDerWaalsContact C-N 3.27Å; Y988-K990 PolarHBondContact O-N 3.2Å |
| 989 | N | 66.3 | Low | 69.6 | Low | 128 Ų | 128 | 46.2 Ų | 46.2 | 68% | 0.684 | 27% | 0.265 | S | S | * | . | trans | -73.4 | -21.9 | -174.8 | -53.7 | -78.7 | 0 | 0 | 0 | 112.4 | D985 G987 T991 | D985-N989 WeakPolarHBondContact OD2-CB 3.33Å; D985-N989 PolarHBondContact OD2-N 2.98Å; D985-N989 PolarHBondContact OD2-ND2 2.84Å; G987-N989 WeakPolarHBondContact CA-ND2 3.33Å; G987-N989 PolarHBondContact O-N 3.38Å; G987-N989 PolarHBondContact O-ND2 3.44Å; G987-N989 VanDerWaalsContact O-ND2 3.15Å; N989-T991 PolarHBondContact O-N 2.88Å; N989-T991 VanDerWaalsContact O-N 3.15Å | ||
| 990 | K | 73 | Confident | 70.3 | Confident | 84 Ų | 84 | 48 Ų | 48 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | trans | -78.4 | 98 | -175.7 | -168.5 | 144.6 | -178.5 | 165.2 | 0 | 111.1 | E983 D985 Y988 | E983-K990 HydrophobicContact CB-CD 4.4Å; E983-K990 VanDerWaalsContact CB-NZ 3.26Å; E983-K990 VanDerWaalsContact O-CD 3.31Å; E983-K990 WeakPolarHBondContact O-CD 3.44Å; E983-K990 VanDerWaalsContact O-CE 3.28Å; E983-K990 WeakPolarHBondContact O-CE 3.5Å; E983-K990 IonicContact OE2-NZ 2.6Å; E983-K990 PolarHBondContact OE2-NZ 3.41Å; D985-K990 HydrophobicContact CB-CB 3.79Å; Y988-K990 VanDerWaalsContact C-N 3.27Å; Y988-K990 PolarHBondContact O-N 3.2Å | ||
| 991 | T | 73.6 | Confident | 70.7 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | trans | -71.2 | 139.7 | 175 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | V887 F895 N989 | V887-T991 HydrophobicContact CG2-CG2 4.32Å; F895-T991 CarbonylContact O-C 3.55Å; F895-T991 WeakPolarHBondContact O-CA 3.35Å; N989-T991 PolarHBondContact O-N 2.88Å; N989-T991 VanDerWaalsContact O-N 3.15Å | ||
| 992 | I | 74 | Confident | 71.9 | Confident | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -126.4 | 139.9 | -175.9 | -61.5 | 155.5 | 0 | 0 | 0 | 107.6 | F895 L897 V982 T996 I997 | F895-I992 PolarHBondContact N-O 3.27Å; F895-I992 PolarHBondContact O-N 3.02Å; L897-I992 HydrophobicContact CB-CD1 4.24Å; L897-I992 HydrophobicContact CD1-CD1 3.6Å; L897-I992 HydrophobicContact CG-CD1 3.68Å; V982-I992 HydrophobicContact CG1-CD1 3.64Å; V982-I992 HydrophobicContact CG1-CG1 4.07Å; I992-T996 HydrophobicContact CG2-CG2 4.09Å; I992-I997 HydrophobicContact CG2-CD1 3.92Å; I992-I997 HydrophobicContact CG2-CG1 3.97Å |
| 993 | S | 72.1 | Confident | 72.6 | Confident | 50 Ų | 50 | 46 Ų | 46 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | trans | -77.5 | 146 | 176.3 | 92.2 | 0 | 0 | 0 | 0 | 110.7 | H995 T996 | S993-H995 PolarHBondContact O-N 3.12Å; S993-H995 PolarHBondContact OG-N 3.36Å; S993-T996 VanDerWaalsContact O-CB 3.28Å; S993-T996 WeakPolarHBondContact O-CB 3.39Å; S993-T996 PolarHBondContact O-N 3.34Å; S993-T996 PolarHBondContact O-OG1 3.2Å; S993-T996 PolarHBondContact OG-N 2.8Å; S993-T996 VanDerWaalsContact OG-N 3.16Å; S993-T996 PolarHBondContact OG-OG1 2.72Å | ||
| 994 | L | 73.5 | Confident | 73.2 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -31.8 | 172.9 | -78.2 | -179.7 | 0 | 0 | 0 | 112.7 | F895 T996 I997 F998 V1021 P1267 | F895-L994 HydrophobicContact CD1-CD2 4.06Å; F895-L994 HydrophobicContact CD2-CD1 4.17Å; F895-L994 HydrophobicContact CD2-CD2 3.58Å; F895-L994 HydrophobicContact CD2-CG 3.52Å; F895-L994 HydrophobicContact CE1-CD2 4.05Å; F895-L994 HydrophobicContact CE2-CD1 3.52Å; F895-L994 HydrophobicContact CE2-CD2 3.62Å; F895-L994 HydrophobicContact CE2-CG 3.42Å; F895-L994 VanDerWaalsContact CE2-CG 3.42Å; F895-L994 HydrophobicContact CG-CD2 3.82Å; F895-L994 HydrophobicContact CG-CG 4.28Å; F895-L994 HydrophobicContact CZ-CD1 3.93Å; F895-L994 HydrophobicContact CZ-CD2 3.86Å; F895-L994 HydrophobicContact CZ-CG 4.07Å; L994-T996 PolarHBondContact O-N 3.09Å; L994-I997 PolarHBondContact O-N 3.27Å; L994-F998 HydrophobicContact CD2-CD2 3.99Å; L994-F998 HydrophobicContact CD2-CE2 4.13Å; L994-F998 WeakPolarHBondContact O-CA 3.24Å; L994-F998 WeakPolarHBondContact O-CB 3.42Å; L994-F998 PolarHBondContact O-N 3.35Å; L994-V1021 HydrophobicContact CB-CG1 3.48Å; L994-V1021 VanDerWaalsContact CB-CG1 3.48Å; L994-V1021 HydrophobicContact CD1-CG1 4.07Å; L994-V1021 HydrophobicContact CG-CG1 4.45Å; L994-P1267 HydrophobicContact CD1-CG 3.84Å; L994-P1267 HydrophobicContact CD2-CB 3.85Å; L994-P1267 HydrophobicContact CD2-CG 3.5Å; L994-P1267 HydrophobicContact CG-CG 4.34Å |
| 995 | H | 74 | Confident | 73.6 | Confident | 59 Ų | 59 | 42 Ų | 42 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -19.1 | 177.8 | -166.7 | -48.3 | 0 | 0 | 0 | 112.5 | S993 S1554 | S993-H995 PolarHBondContact O-N 3.12Å; S993-H995 PolarHBondContact OG-N 3.36Å; H995-S1554 PolarHBondContact NE2-OG 2.97Å |
| 996 | T | 70.2 | Confident | 73.8 | Confident | 66 Ų | 66 | 39.6 Ų | 39.6 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -76.2 | -31.6 | 175.8 | -48 | 0 | 0 | 0 | 0 | 111.9 | V982 I992 S993 L994 | V982-T996 HydrophobicContact CG2-CG2 3.81Å; I992-T996 HydrophobicContact CG2-CG2 4.09Å; S993-T996 VanDerWaalsContact O-CB 3.28Å; S993-T996 WeakPolarHBondContact O-CB 3.39Å; S993-T996 PolarHBondContact O-N 3.34Å; S993-T996 PolarHBondContact O-OG1 3.2Å; S993-T996 PolarHBondContact OG-N 2.8Å; S993-T996 VanDerWaalsContact OG-N 3.16Å; S993-T996 PolarHBondContact OG-OG1 2.72Å; L994-T996 PolarHBondContact O-N 3.09Å |
| 997 | I | 69.4 | Low | 73.6 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -97.2 | -40.5 | -179.6 | -60.3 | 170 | 0 | 0 | 0 | 110.9 | V884 L897 I992 L994 V1272 I1280 | V884-I997 HydrophobicContact CG1-CD1 4.34Å; V884-I997 HydrophobicContact CG2-CD1 4.16Å; L897-I997 HydrophobicContact CD2-CD1 4.3Å; I992-I997 HydrophobicContact CG2-CD1 3.92Å; I992-I997 HydrophobicContact CG2-CG1 3.97Å; L994-I997 PolarHBondContact O-N 3.27Å; I997-V1272 HydrophobicContact CG2-CG2 4.4Å; I997-I1280 HydrophobicContact CG2-CD1 4.25Å; I997-I1280 HydrophobicContact CG2-CG2 4.21Å |
| 998 | F | 76.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -119.1 | 73.5 | -177.1 | -55.6 | -82.9 | 0 | 0 | 0 | 109.7 | L994 V1004 V1018 V1021 V1028 P1267 L1270 V1272 | L994-F998 HydrophobicContact CD2-CD2 3.99Å; L994-F998 HydrophobicContact CD2-CE2 4.13Å; L994-F998 WeakPolarHBondContact O-CA 3.24Å; L994-F998 WeakPolarHBondContact O-CB 3.42Å; L994-F998 PolarHBondContact O-N 3.35Å; F998-V1004 HydrophobicContact CD1-CG1 3.95Å; F998-V1004 HydrophobicContact CE1-CG1 4.11Å; F998-V1018 HydrophobicContact CB-CG1 4.4Å; F998-V1018 HydrophobicContact CB-CG2 4.2Å; F998-V1018 HydrophobicContact CD1-CG2 4.25Å; F998-V1021 HydrophobicContact CB-CG2 4.03Å; F998-V1021 WeakPolarHBondContact O-CG2 3.43Å; F998-V1028 HydrophobicContact CB-CG1 4.08Å; F998-V1028 HydrophobicContact CB-CG2 4.14Å; F998-V1028 HydrophobicContact CD1-CG1 4.41Å; F998-V1028 HydrophobicContact CD1-CG2 4.38Å; F998-V1028 HydrophobicContact CD2-CG2 4.02Å; F998-V1028 HydrophobicContact CG-CG1 4.36Å; F998-V1028 HydrophobicContact CG-CG2 3.94Å; F998-P1267 HydrophobicContact CE2-CB 4Å; F998-P1267 HydrophobicContact CZ-CB 4.38Å; F998-L1270 HydrophobicContact CD1-CD1 4.31Å; F998-L1270 HydrophobicContact CE1-CB 3.87Å; F998-L1270 HydrophobicContact CE1-CD1 4.01Å; F998-L1270 HydrophobicContact CZ-CB 4.3Å; F998-V1272 HydrophobicContact CD1-CG2 4.05Å; F998-V1272 HydrophobicContact CE1-CG2 3.45Å; F998-V1272 VanDerWaalsContact CE1-CG2 3.45Å; F998-V1272 HydrophobicContact CZ-CG2 4.03Å |
| 999 | H | 73 | Confident | 73.8 | Confident | 75 Ų | 75 | 46 Ų | 46 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | trans | -77 | 157.9 | 169.1 | 58.9 | 83.1 | 0 | 0 | 0 | 110.8 | K1002 V1018 | H999-K1002 WeakPolarHBondContact O-CB 3.39Å; H999-K1002 PolarHBondContact O-N 1.95Å; H999-K1002 VanDerWaalsContact O-N 3.15Å; H999-V1018 WeakPolarHBondContact O-CB 3.42Å; H999-V1018 WeakPolarHBondContact O-CG1 3.26Å | ||
| 1000 | P | 76.8 | Confident | 74 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 29% | 0.292 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 145.9 | 168.3 | -26.9 | 36.2 | 0 | 0 | 0 | 112.4 | K1002 V1018 | P1000-K1002 PolarHBondContact O-N 2.84Å; P1000-V1018 CarbonylContact C-O 3.32Å; P1000-V1018 VanDerWaalsContact CA-O 3.31Å; P1000-V1018 WeakPolarHBondContact CA-O 3.42Å |
| 1001 | G | 68.9 | Low | 73.9 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -5.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1003 V1018 | G1001-I1003 PolarHBondContact O-N 3.12Å; G1001-V1018 PolarHBondContact N-O 2.78Å |
| 1002 | K | 75.8 | Confident | 74 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | trans | -71.4 | 124.1 | 177.4 | -166.6 | 58 | 152.5 | -159.2 | 0 | 110.7 | H999 P1000 V1018 V1272 | H999-K1002 WeakPolarHBondContact O-CB 3.39Å; H999-K1002 PolarHBondContact O-N 1.95Å; H999-K1002 VanDerWaalsContact O-N 3.15Å; P1000-K1002 PolarHBondContact O-N 2.84Å; K1002-V1018 HydrophobicContact CB-CB 4.32Å; K1002-V1018 HydrophobicContact CB-CG2 4.17Å; K1002-V1018 WeakPolarHBondContact O-CG2 3.11Å; K1002-V1018 PolarHBondContact O-N 3.42Å; K1002-V1272 HydrophobicContact CG-CG1 4.41Å | ||
| 1003 | I | 77.3 | Confident | 74 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.1 | 172 | -57.6 | -57.4 | 0 | 0 | 0 | 110 | G1001 V1015 E1017 L1560 | G1001-I1003 PolarHBondContact O-N 3.12Å; I1003-V1015 HydrophobicContact CG2-CG1 3.54Å; I1003-E1017 HydrophobicContact CD1-CB 4.32Å; I1003-L1560 HydrophobicContact CG1-CD1 4.18Å |
| 1004 | V | 79.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.4 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | F998 V1015 G1016 V1018 V1030 L1270 V1272 | F998-V1004 HydrophobicContact CD1-CG1 3.95Å; F998-V1004 HydrophobicContact CE1-CG1 4.11Å; V1004-V1015 WeakPolarHBondContact O-CA 3.49Å; V1004-G1016 WeakPolarHBondContact CG2-O 3.21Å; V1004-G1016 PolarHBondContact N-O 2.9Å; V1004-G1016 PolarHBondContact O-N 2.89Å; V1004-G1016 VanDerWaalsContact O-O 3.13Å; V1004-V1018 HydrophobicContact CG1-CG2 3.76Å; V1004-V1018 HydrophobicContact CG2-CG2 4.2Å; V1004-V1030 HydrophobicContact CG2-CB 4.48Å; V1004-V1030 HydrophobicContact CG2-CG1 3.62Å; V1004-V1030 HydrophobicContact CG2-CG2 3.94Å; V1004-L1270 HydrophobicContact CB-CD2 4.41Å; V1004-L1270 HydrophobicContact CG2-CD1 4.46Å; V1004-L1270 HydrophobicContact CG2-CD2 4.04Å; V1004-V1272 HydrophobicContact CG1-CG2 4.23Å |
| 1005 | F | 79.8 | Confident | 74.6 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.2 | 172.8 | -62.6 | -99.2 | 0 | 0 | 0 | 109.6 | V1015 L1270 F1271 V1313 I1315 L1323 | F1005-V1015 HydrophobicContact CD1-CG2 3.87Å; F1005-V1015 HydrophobicContact CE1-CG2 3.52Å; F1005-V1015 HydrophobicContact CZ-CG2 4.27Å; F1005-L1270 WeakPolarHBondContact O-CA 3.45Å; F1005-F1271 HydrophobicContact CB-CB 4.39Å; F1005-F1271 HydrophobicContact CB-CD1 4.26Å; F1005-F1271 AromaticContact CD2-CD1 3.99Å; F1005-F1271 HydrophobicContact CD2-CD1 3.99Å; F1005-F1271 HydrophobicContact CD2-CE1 4.5Å; F1005-F1271 HydrophobicContact CG-CD1 4.43Å; F1005-F1271 PolarHBondContact N-O 3.46Å; F1005-F1271 PolarHBondContact O-N 3.2Å; F1005-V1313 HydrophobicContact CD1-CG1 4.27Å; F1005-V1313 HydrophobicContact CE1-CG1 3.89Å; F1005-I1315 HydrophobicContact CD1-CG2 3.8Å; F1005-I1315 HydrophobicContact CD2-CG2 4.36Å; F1005-I1315 HydrophobicContact CE1-CB 4.33Å; F1005-I1315 HydrophobicContact CE1-CG2 3.68Å; F1005-I1315 HydrophobicContact CE2-CB 4.19Å; F1005-I1315 HydrophobicContact CE2-CG2 4.27Å; F1005-I1315 HydrophobicContact CG-CG2 4.15Å; F1005-I1315 HydrophobicContact CZ-CB 4.08Å; F1005-I1315 HydrophobicContact CZ-CG2 3.94Å; F1005-L1323 HydrophobicContact CE2-CD2 4.06Å; F1005-L1323 HydrophobicContact CZ-CB 4.37Å; F1005-L1323 HydrophobicContact CZ-CD2 3.8Å |
| 1006 | S | 79.7 | Confident | 74.9 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134.7 | 171.2 | 177 | 0 | 0 | 0 | 0 | 110.9 | A1008 S1011 G1013 S1014 | S1006-A1008 PolarHBondContact OG-N 2.83Å; S1006-S1011 WeakPolarHBondContact CB-O 3.4Å; S1006-S1011 WeakPolarHBondContact CB-OG 3.25Å; S1006-S1011 PolarHBondContact OG-OG 3.07Å; S1006-G1013 PolarHBondContact O-N 3.02Å; S1006-S1014 PolarHBondContact N-O 3.41Å |
| 1007 | L | 73.7 | Confident | 75.5 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | trans | -104.6 | 5.9 | 163.3 | -54.7 | -169.8 | 0 | 0 | 0 | 112.4 | Y1012 T1269 F1271 P1282 Y1295 L1375 | L1007-Y1012 HydrophobicContact CB-CD2 4.42Å; L1007-Y1012 HydrophobicContact CB-CE2 4.25Å; L1007-Y1012 HydrophobicContact CD2-CE2 4.26Å; L1007-Y1012 VanDerWaalsContact O-CD2 3.29Å; L1007-Y1012 WeakPolarHBondContact O-CD2 3.3Å; L1007-T1269 PolarHBondContact N-O 2.87Å; L1007-F1271 HydrophobicContact CD1-CB 4.48Å; L1007-F1271 HydrophobicContact CG-CB 4.34Å; L1007-P1282 HydrophobicContact CD1-CG 3.57Å; L1007-P1282 HydrophobicContact CG-CG 4.35Å; L1007-Y1295 HydrophobicContact CB-CE1 4.07Å; L1007-Y1295 VanDerWaalsContact O-CE1 3.31Å; L1007-Y1295 WeakPolarHBondContact O-CE1 3.48Å; L1007-Y1295 PolarHBondContact O-OH 3.47Å; L1007-L1375 HydrophobicContact CD2-CD1 4.16Å; L1007-L1375 HydrophobicContact CD2-CD2 3.82Å | ||
| 1008 | A | 72.4 | Confident | 76.2 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -69.5 | 140 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1006 E1010 S1011 Y1012 T1269 | S1006-A1008 PolarHBondContact OG-N 2.83Å; A1008-E1010 PolarHBondContact O-N 3.48Å; A1008-S1011 CarbonylContact O-C 3.42Å; A1008-S1011 PolarHBondContact O-N 2.94Å; A1008-Y1012 WeakPolarHBondContact O-CA 3.47Å; A1008-Y1012 PolarHBondContact O-N 2.94Å; A1008-T1269 HydrophobicContact CB-CG2 4.47Å |
| 1009 | K | 69.8 | Low | 76.6 | Confident | 170 Ų | 170 | 39.6 Ų | 39.6 | 74% | 0.739 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -37.3 | -174 | -173.5 | -177.9 | 176.6 | -172.6 | 0 | 114.1 | D1383 | K1009-D1383 IonicContact NZ-OD2 2.66Š|
| 1010 | E | 70.4 | Confident | 77.2 | Confident | 194 Ų | 194 | 37.5 Ų | 37.5 | 91% | 0.907 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -19.6 | -177.4 | -62.8 | 177.7 | -178.6 | 0 | 0 | 114.4 | A1008 | A1008-E1010 PolarHBondContact O-N 3.48Š|
| 1011 | S | 72 | Confident | 77.4 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -140.8 | 27.5 | -174.9 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | S1006 A1008 G1013 S1014 | S1006-S1011 WeakPolarHBondContact CB-O 3.4Å; S1006-S1011 WeakPolarHBondContact CB-OG 3.25Å; S1006-S1011 PolarHBondContact OG-OG 3.07Å; A1008-S1011 CarbonylContact O-C 3.42Å; A1008-S1011 PolarHBondContact O-N 2.94Å; S1011-G1013 PolarHBondContact O-N 3.47Å; S1011-S1014 WeakPolarHBondContact O-CB 3.39Å; S1011-S1014 PolarHBondContact O-N 3.42Å; S1011-S1014 PolarHBondContact O-OG 3.27Å |
| 1012 | Y | 76.6 | Confident | 77.8 | Confident | 52 Ų | 52 | 37.5 Ų | 37.5 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 126.1 | -173.8 | -168.7 | -78.2 | 0 | 0 | 0 | 111.8 | L1007 A1008 S1014 Y1295 L1375 R1376 L1377 P1378 | L1007-Y1012 HydrophobicContact CB-CD2 4.42Å; L1007-Y1012 HydrophobicContact CB-CE2 4.25Å; L1007-Y1012 HydrophobicContact CD2-CE2 4.26Å; L1007-Y1012 VanDerWaalsContact O-CD2 3.29Å; L1007-Y1012 WeakPolarHBondContact O-CD2 3.3Å; A1008-Y1012 WeakPolarHBondContact O-CA 3.47Å; A1008-Y1012 PolarHBondContact O-N 2.94Å; Y1012-S1014 PolarHBondContact O-N 3.13Å; Y1012-Y1295 HydrophobicContact CE2-CE1 4.44Å; Y1012-L1375 HydrophobicContact CD1-CD2 4.42Å; Y1012-L1375 HydrophobicContact CE1-CD1 4.3Å; Y1012-L1375 HydrophobicContact CE1-CD2 3.87Å; Y1012-L1375 HydrophobicContact CE1-CG 3.98Å; Y1012-R1376 WeakPolarHBondContact CE1-O 3.44Å; Y1012-L1377 HydrophobicContact CD1-CD2 4.25Å; Y1012-P1378 HydrophobicContact CD1-CG 4.23Å; Y1012-P1378 HydrophobicContact CG-CG 4.4Å |
| 1013 | G | 72.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1006 S1011 V1015 | S1006-G1013 PolarHBondContact O-N 3.02Å; S1011-G1013 PolarHBondContact O-N 3.47Å; G1013-V1015 PolarHBondContact O-N 2.84Å |
| 1014 | S | 78.3 | Confident | 77.2 | Confident | 21 Ų | 21 | 47 Ų | 47 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | trans | -67.7 | 126.2 | 173.4 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | S1006 S1011 Y1012 | S1006-S1014 PolarHBondContact N-O 3.41Å; S1011-S1014 WeakPolarHBondContact O-CB 3.39Å; S1011-S1014 PolarHBondContact O-N 3.42Å; S1011-S1014 PolarHBondContact O-OG 3.27Å; Y1012-S1014 PolarHBondContact O-N 3.13Å | ||
| 1015 | V | 80.6 | Confident | 76.7 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 145.8 | 167.5 | -167 | 0 | 0 | 0 | 0 | 109.7 | I1003 V1004 F1005 G1013 F1032 Y1033 | I1003-V1015 HydrophobicContact CG2-CG1 3.54Å; V1004-V1015 WeakPolarHBondContact O-CA 3.49Å; F1005-V1015 HydrophobicContact CD1-CG2 3.87Å; F1005-V1015 HydrophobicContact CE1-CG2 3.52Å; F1005-V1015 HydrophobicContact CZ-CG2 4.27Å; G1013-V1015 PolarHBondContact O-N 2.84Å; V1015-F1032 WeakPolarHBondContact O-CA 3.34Å; V1015-Y1033 HydrophobicContact CB-CD2 3.8Å; V1015-Y1033 HydrophobicContact CB-CE2 4.32Å; V1015-Y1033 HydrophobicContact CG1-CD2 3.86Å; V1015-Y1033 HydrophobicContact CG1-CE2 3.85Å; V1015-Y1033 WeakPolarHBondContact O-CD2 3.34Å; V1015-Y1033 PolarHBondContact O-N 2.86Å |
| 1016 | G | 80.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 168.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1004 R1031 | V1004-G1016 WeakPolarHBondContact CG2-O 3.21Å; V1004-G1016 PolarHBondContact N-O 2.9Å; V1004-G1016 PolarHBondContact O-N 2.89Å; V1004-G1016 VanDerWaalsContact O-O 3.13Å; G1016-R1031 VanDerWaalsContact CA-O 3.24Å; G1016-R1031 WeakPolarHBondContact CA-O 3.48Å |
| 1017 | E | 82.8 | Confident | 76.6 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.3 | 173.4 | 176.7 | -170.5 | -122.9 | 0 | 0 | 109.5 | I1003 I1019 V1030 R1031 W1257 | I1003-E1017 HydrophobicContact CD1-CB 4.32Å; E1017-I1019 HydrophobicContact CB-CD1 4.31Å; E1017-I1019 HydrophobicContact CG-CD1 4.05Å; E1017-I1019 PolarHBondContact O-N 3.32Å; E1017-I1019 WeakPolarHBondContact OE2-CD1 3.45Å; E1017-V1030 CarbonylContact O-C 3.53Å; E1017-V1030 VanDerWaalsContact O-CA 3.28Å; E1017-V1030 WeakPolarHBondContact O-CA 3.17Å; E1017-R1031 PolarHBondContact N-O 3.23Å; E1017-R1031 VanDerWaalsContact N-O 3.15Å; E1017-R1031 PolarHBondContact O-N 2.92Å; E1017-R1031 IonicContact OE2-NH1 2.66Å; E1017-R1031 PolarHBondContact OE2-NH1 3.25Å; E1017-W1257 HydrophobicContact CB-CH2 4.36Å; E1017-W1257 HydrophobicContact CB-CZ2 3.67Å; E1017-W1257 HydrophobicContact CG-CZ2 4.22Å; E1017-W1257 WeakPolarHBondContact OE1-CH2 3.17Å; E1017-W1257 WeakPolarHBondContact OE2-CH2 3.37Å; E1017-W1257 WeakPolarHBondContact OE2-CZ2 3.22Å |
| 1018 | V | 83.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 118.8 | 168.2 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | F998 H999 P1000 G1001 K1002 V1004 V1021 V1028 V1030 | F998-V1018 HydrophobicContact CB-CG1 4.4Å; F998-V1018 HydrophobicContact CB-CG2 4.2Å; F998-V1018 HydrophobicContact CD1-CG2 4.25Å; H999-V1018 WeakPolarHBondContact O-CB 3.42Å; H999-V1018 WeakPolarHBondContact O-CG1 3.26Å; P1000-V1018 CarbonylContact C-O 3.32Å; P1000-V1018 VanDerWaalsContact CA-O 3.31Å; P1000-V1018 WeakPolarHBondContact CA-O 3.42Å; G1001-V1018 PolarHBondContact N-O 2.78Å; K1002-V1018 HydrophobicContact CB-CB 4.32Å; K1002-V1018 HydrophobicContact CB-CG2 4.17Å; K1002-V1018 WeakPolarHBondContact O-CG2 3.11Å; K1002-V1018 PolarHBondContact O-N 3.42Å; V1004-V1018 HydrophobicContact CG1-CG2 3.76Å; V1004-V1018 HydrophobicContact CG2-CG2 4.2Å; V1018-V1021 HydrophobicContact CG1-CG2 4.37Å; V1018-V1028 HydrophobicContact CB-CG1 4.23Å; V1018-V1028 HydrophobicContact CG1-CG1 3.68Å; V1018-V1028 HydrophobicContact CG2-CG1 3.66Å; V1018-V1030 HydrophobicContact CG2-CG2 4.46Å |
| 1019 | I | 85.6 | Confident | 77.8 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -37.6 | 177 | -52.4 | -50.9 | 0 | 0 | 0 | 110.8 | E1017 M1029 R1031 P1262 | E1017-I1019 HydrophobicContact CB-CD1 4.31Å; E1017-I1019 HydrophobicContact CG-CD1 4.05Å; E1017-I1019 PolarHBondContact O-N 3.32Å; E1017-I1019 WeakPolarHBondContact OE2-CD1 3.45Å; I1019-M1029 PolarHBondContact N-O 3Å; I1019-R1031 HydrophobicContact CD1-CB 3.8Å; I1019-R1031 HydrophobicContact CG1-CB 3.73Å; I1019-P1262 HydrophobicContact CG1-CB 4.29Å |
| 1020 | A | 84.1 | Confident | 78.6 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1029 | A1020-M1029 HydrophobicContact CB-CB 4.37Å; A1020-M1029 HydrophobicContact CB-CE 3.82Å; A1020-M1029 PolarHBondContact N-O 2.86Å; A1020-M1029 PolarHBondContact O-N 3.49Å |
| 1021 | V | 80.8 | Confident | 79.4 | Confident | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118 | 169.2 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | L994 F998 V1018 Q1023 V1028 | L994-V1021 HydrophobicContact CB-CG1 3.48Å; L994-V1021 VanDerWaalsContact CB-CG1 3.48Å; L994-V1021 HydrophobicContact CD1-CG1 4.07Å; L994-V1021 HydrophobicContact CG-CG1 4.45Å; F998-V1021 HydrophobicContact CB-CG2 4.03Å; F998-V1021 WeakPolarHBondContact O-CG2 3.43Å; V1018-V1021 HydrophobicContact CG1-CG2 4.37Å; V1021-Q1023 HydrophobicContact CG1-CG 3.86Å; V1021-Q1023 PolarHBondContact O-N 3.18Å; V1021-Q1023 VanDerWaalsContact O-N 3.13Å; V1021-V1028 HydrophobicContact CG2-CG1 4.33Å; V1021-V1028 HydrophobicContact CG2-CG2 4.39Å |
| 1022 | D | 79.2 | Confident | 79.8 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 86.2 | 168.7 | -169.4 | -27.3 | 0 | 0 | 0 | 109 | K1024 K1025 G1026 K1027 | D1022-K1024 PolarHBondContact O-N 2.82Å; D1022-K1024 WeakPolarHBondContact OD1-CA 3.45Å; D1022-K1024 WeakPolarHBondContact OD1-CB 3.4Å; D1022-K1024 PolarHBondContact OD1-N 2.74Å; D1022-K1025 HydrophobicContact CB-CB 4.27Å; D1022-K1025 PolarHBondContact O-N 2.99Å; D1022-K1025 VanDerWaalsContact O-N 3.14Å; D1022-K1025 PolarHBondContact OD1-N 3.48Å; D1022-K1025 WeakPolarHBondContact OD2-CD 3.46Å; D1022-K1025 WeakPolarHBondContact OD2-CE 3.31Å; D1022-K1025 VanDerWaalsContact OD2-CG 3.3Å; D1022-K1025 WeakPolarHBondContact OD2-CG 3.47Å; D1022-K1025 IonicContact OD2-NZ 3.15Å; D1022-K1025 PolarHBondContact OD2-NZ 2.7Å; D1022-G1026 PolarHBondContact O-N 2.81Å; D1022-K1027 PolarHBondContact N-O 3.21Å; D1022-K1027 PolarHBondContact O-N 2.91Å |
| 1023 | Q | 70.5 | Confident | 79.6 | Confident | 108 Ų | 108 | 42.1 Ų | 42.1 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.1 | 176 | -65.8 | -173.6 | -3 | 0 | 0 | 112.7 | N893 V1021 | N893-Q1023 WeakPolarHBondContact CB-O 3.42Å; N893-Q1023 PolarHBondContact ND2-O 3.22Å; V1021-Q1023 HydrophobicContact CG1-CG 3.86Å; V1021-Q1023 PolarHBondContact O-N 3.18Å; V1021-Q1023 VanDerWaalsContact O-N 3.13Å |
| 1024 | K | 68.7 | Low | 79.1 | Confident | 192 Ų | 192 | 44.8 Ų | 44.8 | 84% | 0.835 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.7 | 178.2 | -66.4 | -171.8 | 178.3 | -175.8 | 0 | 112.9 | N893 D1022 | N893-K1024 PolarHBondContact ND2-O 3.03Å; D1022-K1024 PolarHBondContact O-N 2.82Å; D1022-K1024 WeakPolarHBondContact OD1-CA 3.45Å; D1022-K1024 WeakPolarHBondContact OD1-CB 3.4Å; D1022-K1024 PolarHBondContact OD1-N 2.74Å |
| 1025 | K | 69.8 | Low | 78.2 | Confident | 141 Ų | 141 | 47.9 Ų | 47.9 | 61% | 0.613 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -4.8 | 174.9 | -59.8 | -170.7 | -166 | 88.2 | 0 | 114.3 | D1022 K1027 | D1022-K1025 HydrophobicContact CB-CB 4.27Å; D1022-K1025 PolarHBondContact O-N 2.99Å; D1022-K1025 VanDerWaalsContact O-N 3.14Å; D1022-K1025 PolarHBondContact OD1-N 3.48Å; D1022-K1025 WeakPolarHBondContact OD2-CD 3.46Å; D1022-K1025 WeakPolarHBondContact OD2-CE 3.31Å; D1022-K1025 VanDerWaalsContact OD2-CG 3.3Å; D1022-K1025 WeakPolarHBondContact OD2-CG 3.47Å; D1022-K1025 IonicContact OD2-NZ 3.15Å; D1022-K1025 PolarHBondContact OD2-NZ 2.7Å; K1025-K1027 VanDerWaalsContact C-N 3.26Å; K1025-K1027 HydrophobicContact CB-CG 4.23Å; K1025-K1027 PolarHBondContact O-N 3.12Å |
| 1026 | G | 73.4 | Confident | 76.9 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 28.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N893 D1022 P1267 | N893-G1026 PolarHBondContact ND2-N 2.72Å; D1022-G1026 PolarHBondContact O-N 2.81Å; G1026-P1267 WeakPolarHBondContact O-CD 3.39Å; G1026-P1267 WeakPolarHBondContact O-CG 3.26Å |
| 1027 | K | 82.4 | Confident | 75.6 | Confident | 89 Ų | 89 | 52 Ų | 52 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 150.8 | -174.3 | -65.1 | -159.6 | 179.6 | -167.8 | 0 | 112.7 | D1022 K1025 N1264 | D1022-K1027 PolarHBondContact N-O 3.21Å; D1022-K1027 PolarHBondContact O-N 2.91Å; K1025-K1027 VanDerWaalsContact C-N 3.26Å; K1025-K1027 HydrophobicContact CB-CG 4.23Å; K1025-K1027 PolarHBondContact O-N 3.12Å; K1027-N1264 HydrophobicContact CD-CB 4.05Å |
| 1028 | V | 84.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | F998 V1018 V1021 V1030 C1265 P1267 L1270 | F998-V1028 HydrophobicContact CB-CG1 4.08Å; F998-V1028 HydrophobicContact CB-CG2 4.14Å; F998-V1028 HydrophobicContact CD1-CG1 4.41Å; F998-V1028 HydrophobicContact CD1-CG2 4.38Å; F998-V1028 HydrophobicContact CD2-CG2 4.02Å; F998-V1028 HydrophobicContact CG-CG1 4.36Å; F998-V1028 HydrophobicContact CG-CG2 3.94Å; V1018-V1028 HydrophobicContact CB-CG1 4.23Å; V1018-V1028 HydrophobicContact CG1-CG1 3.68Å; V1018-V1028 HydrophobicContact CG2-CG1 3.66Å; V1021-V1028 HydrophobicContact CG2-CG1 4.33Å; V1021-V1028 HydrophobicContact CG2-CG2 4.39Å; V1028-V1030 HydrophobicContact CB-CG2 4.37Å; V1028-V1030 HydrophobicContact CG1-CG2 3.84Å; V1028-C1265 PolarHBondContact N-O 3.34Å; V1028-C1265 WeakPolarHBondContact O-CB 3.5Å; V1028-C1265 PolarHBondContact O-N 2.91Å; V1028-P1267 HydrophobicContact CG2-CG 4.11Å; V1028-L1270 HydrophobicContact CB-CD1 3.77Å; V1028-L1270 HydrophobicContact CG1-CD1 3.92Å; V1028-L1270 HydrophobicContact CG2-CD1 4.16Å |
| 1029 | M | 88.3 | Confident | 72.9 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 115 | 174.1 | -66.1 | -146.1 | -63.2 | 0 | 0 | 109 | I1019 A1020 P1262 V1263 | I1019-M1029 PolarHBondContact N-O 3Å; A1020-M1029 HydrophobicContact CB-CB 4.37Å; A1020-M1029 HydrophobicContact CB-CE 3.82Å; A1020-M1029 PolarHBondContact N-O 2.86Å; A1020-M1029 PolarHBondContact O-N 3.49Å; M1029-P1262 HydrophobicContact CB-CB 4.4Å; M1029-V1263 WeakPolarHBondContact CA-O 3.36Å |
| 1030 | V | 86.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.5 | -174.3 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | V1004 E1017 V1018 V1028 F1032 V1263 C1265 L1270 | V1004-V1030 HydrophobicContact CG2-CB 4.48Å; V1004-V1030 HydrophobicContact CG2-CG1 3.62Å; V1004-V1030 HydrophobicContact CG2-CG2 3.94Å; E1017-V1030 CarbonylContact O-C 3.53Å; E1017-V1030 VanDerWaalsContact O-CA 3.28Å; E1017-V1030 WeakPolarHBondContact O-CA 3.17Å; V1018-V1030 HydrophobicContact CG2-CG2 4.46Å; V1028-V1030 HydrophobicContact CB-CG2 4.37Å; V1028-V1030 HydrophobicContact CG1-CG2 3.84Å; V1030-F1032 HydrophobicContact CB-CE1 4.36Å; V1030-F1032 HydrophobicContact CB-CE2 4.35Å; V1030-F1032 HydrophobicContact CB-CZ 4.06Å; V1030-F1032 HydrophobicContact CG1-CD1 3.9Å; V1030-F1032 HydrophobicContact CG1-CE1 3.53Å; V1030-F1032 HydrophobicContact CG1-CE2 4.26Å; V1030-F1032 HydrophobicContact CG1-CG 4.38Å; V1030-F1032 HydrophobicContact CG1-CZ 3.74Å; V1030-V1263 PolarHBondContact N-O 3.18Å; V1030-V1263 PolarHBondContact O-N 3.27Å; V1030-C1265 HydrophobicContact CG2-CB 4.23Å; V1030-L1270 HydrophobicContact CG2-CD1 3.68Å; V1030-L1270 HydrophobicContact CG2-CD2 4.05Å |
| 1031 | R | 86.7 | Confident | 71.3 | Confident | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 98.1 | 171.5 | -171.5 | -171.6 | -67.4 | 126.3 | -4 | 109.4 | G1016 E1017 I1019 W1257 K1260 | G1016-R1031 VanDerWaalsContact CA-O 3.24Å; G1016-R1031 WeakPolarHBondContact CA-O 3.48Å; E1017-R1031 PolarHBondContact N-O 3.23Å; E1017-R1031 VanDerWaalsContact N-O 3.15Å; E1017-R1031 PolarHBondContact O-N 2.92Å; E1017-R1031 IonicContact OE2-NH1 2.66Å; E1017-R1031 PolarHBondContact OE2-NH1 3.25Å; I1019-R1031 HydrophobicContact CD1-CB 3.8Å; I1019-R1031 HydrophobicContact CG1-CB 3.73Å; R1031-W1257 VanDerWaalsContact CD-CD1 3.48Å; R1031-K1260 HydrophobicContact CG-CB 4.45Å |
| 1032 | F | 80.9 | Confident | 71.1 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.6 | 176 | -63.9 | -64.8 | 0 | 0 | 0 | 112.1 | V1015 V1030 K1260 V1263 C1265 L1270 | V1015-F1032 WeakPolarHBondContact O-CA 3.34Å; V1030-F1032 HydrophobicContact CB-CE1 4.36Å; V1030-F1032 HydrophobicContact CB-CE2 4.35Å; V1030-F1032 HydrophobicContact CB-CZ 4.06Å; V1030-F1032 HydrophobicContact CG1-CD1 3.9Å; V1030-F1032 HydrophobicContact CG1-CE1 3.53Å; V1030-F1032 HydrophobicContact CG1-CE2 4.26Å; V1030-F1032 HydrophobicContact CG1-CG 4.38Å; V1030-F1032 HydrophobicContact CG1-CZ 3.74Å; F1032-K1260 WeakPolarHBondContact O-CD 3.33Å; F1032-V1263 HydrophobicContact CD2-CB 4.2Å; F1032-V1263 HydrophobicContact CD2-CG2 4.11Å; F1032-V1263 HydrophobicContact CE2-CB 4.01Å; F1032-V1263 HydrophobicContact CE2-CG1 4.37Å; F1032-V1263 HydrophobicContact CE2-CG2 4.39Å; F1032-C1265 VanDerWaalsContact CE2-SG 3.54Å; F1032-C1265 VanDerWaalsContact CZ-SG 3.53Å; F1032-L1270 HydrophobicContact CZ-CD2 4.29Å |
| 1033 | Y | 71 | Confident | 71 | Confident | 42 Ų | 42 | 64 Ų | 64 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 165.8 | 175 | -73.2 | -90.2 | 0 | 0 | 0 | 111.5 | V1015 D1035 W1257 K1260 | V1015-Y1033 HydrophobicContact CB-CD2 3.8Å; V1015-Y1033 HydrophobicContact CB-CE2 4.32Å; V1015-Y1033 HydrophobicContact CG1-CD2 3.86Å; V1015-Y1033 HydrophobicContact CG1-CE2 3.85Å; V1015-Y1033 WeakPolarHBondContact O-CD2 3.34Å; V1015-Y1033 PolarHBondContact O-N 2.86Å; Y1033-D1035 PolarHBondContact O-N 3.34Å; Y1033-W1257 HydrophobicContact CD1-CG 4.44Å; Y1033-W1257 AromaticContact CE1-CD2 3.86Å; Y1033-W1257 HydrophobicContact CE1-CD2 3.86Å; Y1033-W1257 AromaticContact CE1-CE2 3.66Å; Y1033-W1257 HydrophobicContact CE1-CE3 4.3Å; Y1033-W1257 HydrophobicContact CE1-CG 4.25Å; Y1033-W1257 HydrophobicContact CE1-CH2 4.45Å; Y1033-W1257 AromaticContact CE1-CZ2 3.99Å; Y1033-W1257 HydrophobicContact CE1-CZ2 3.99Å; Y1033-W1257 AromaticContact CE1-NE1 3.87Å; Y1033-W1257 HydrophobicContact CE2-CZ2 4.21Å; Y1033-W1257 AromaticContact CZ-CE2 3.7Å; Y1033-W1257 AromaticContact CZ-CZ2 3.56Å; Y1033-W1257 VanDerWaalsContact OH-CH2 3.29Å; Y1033-W1257 WeakPolarHBondContact OH-CH2 3.39Å; Y1033-W1257 WeakPolarHBondContact OH-CZ2 3.26Å; Y1033-K1260 PolarHBondContact O-NZ 3.04Å |
| 1034 | P | 62.8 | Low | 71.4 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 136.1 | 163.3 | -23.1 | 35.3 | 0 | 0 | 0 | 110.5 | V1036 I1256 | P1034-V1036 WeakPolarHBondContact O-CG2 3.33Å; P1034-V1036 PolarHBondContact O-N 2.83Å; P1034-I1256 HydrophobicContact CG-CG2 4.33Å |
| 1035 | D | 59.2 | Low | 72.2 | Confident | 87 Ų | 87 | 57.1 Ų | 57.1 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | trans | -70.5 | 113.1 | 173.3 | -178.4 | -6.8 | 0 | 0 | 0 | 107.7 | Y1033 S1037 K1380 | Y1033-D1035 PolarHBondContact O-N 3.34Å; D1035-S1037 VanDerWaalsContact C-N 3.33Å; D1035-S1037 VanDerWaalsContact CG-OG 3.25Å; D1035-S1037 WeakPolarHBondContact OD1-CB 3.49Å; D1035-S1037 PolarHBondContact OD1-N 3.04Å; D1035-S1037 PolarHBondContact OD1-OG 3.03Å; D1035-S1037 PolarHBondContact OD2-OG 3.29Å; D1035-K1380 IonicContact OD2-NZ 3.03Å | ||
| 1036 | V | 53.4 | Low | 72.7 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | trans | -97.1 | 13.2 | -178.2 | -154.4 | 0 | 0 | 0 | 0 | 111 | P1034 S1038 | P1034-V1036 WeakPolarHBondContact O-CG2 3.33Å; P1034-V1036 PolarHBondContact O-N 2.83Å; V1036-S1038 PolarHBondContact O-N 2.97Å | ||
| 1037 | S | 54.4 | Low | 73 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | trans | -61.7 | 124.2 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 111 | D1035 S1039 | D1035-S1037 VanDerWaalsContact C-N 3.33Å; D1035-S1037 VanDerWaalsContact CG-OG 3.25Å; D1035-S1037 WeakPolarHBondContact OD1-CB 3.49Å; D1035-S1037 PolarHBondContact OD1-N 3.04Å; D1035-S1037 PolarHBondContact OD1-OG 3.03Å; D1035-S1037 PolarHBondContact OD2-OG 3.29Å; S1037-S1039 PolarHBondContact O-N 2.68Å | ||
| 1038 | S | 53.3 | Low | 73.1 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | trans | -61.3 | 124.7 | 174.7 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | V1036 T1040 Y1240 | V1036-S1038 PolarHBondContact O-N 2.97Å; S1038-T1040 PolarHBondContact O-N 2.83Å; S1038-Y1240 VanDerWaalsContact OG-CE2 3.27Å; S1038-Y1240 WeakPolarHBondContact OG-CE2 3.39Å | ||
| 1039 | S | 55.8 | Low | 72.8 | Confident | 121 Ų | 121 | 54 Ų | 54 | 85% | 0.846 | 30% | 0.299 | S | S | * | . | trans | -68.4 | 1.4 | 175.1 | 54.9 | 0 | 0 | 0 | 0 | 114 | S1037 D1041 | S1037-S1039 PolarHBondContact O-N 2.68Å; S1039-D1041 PolarHBondContact O-N 2.65Å; S1039-D1041 VanDerWaalsContact O-N 3.13Å | ||
| 1040 | T | 64.9 | Low | 72.2 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | trans | -57.4 | 109.8 | 174.7 | -37.3 | 0 | 0 | 0 | 0 | 111.1 | S1038 L1042 K1311 | S1038-T1040 PolarHBondContact O-N 2.83Å; T1040-L1042 HydrophobicContact CG2-CD2 4.01Å; T1040-K1311 PolarHBondContact O-NZ 3.4Å | ||
| 1041 | D | 70.5 | Confident | 71.7 | Confident | 108 Ų | 108 | 64 Ų | 64 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | trans | -66.5 | 141.2 | 159.5 | -172.3 | 4.8 | 0 | 0 | 0 | 109 | S1039 M1043 | S1039-D1041 PolarHBondContact O-N 2.65Å; S1039-D1041 VanDerWaalsContact O-N 3.13Å; D1041-M1043 WeakPolarHBondContact OD1-CG 3.16Å; D1041-M1043 PolarHBondContact OD1-N 3.03Å | ||
| 1042 | L | 77.3 | Confident | 71.2 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | trans | -125.2 | 0.5 | -179.5 | -65.1 | 174.3 | 0 | 0 | 0 | 112.3 | T1040 E1044 F1045 C1046 L1236 I1328 | T1040-L1042 HydrophobicContact CG2-CD2 4.01Å; L1042-E1044 VanDerWaalsContact C-N 3.3Å; L1042-E1044 PolarHBondContact O-N 3.17Å; L1042-F1045 CarbonylContact O-C 3.56Å; L1042-F1045 WeakPolarHBondContact O-CA 3.25Å; L1042-F1045 WeakPolarHBondContact O-CB 3.43Å; L1042-F1045 PolarHBondContact O-N 2.75Å; L1042-C1046 PolarHBondContact O-N 3.38Å; L1042-C1046 PolarHBondContact O-SG 3.01Å; L1042-L1236 HydrophobicContact CD2-CD1 4.3Å; L1042-I1328 HydrophobicContact CD1-CD1 3.51Å | ||
| 1043 | M | 76.6 | Confident | 70.5 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.4 | -42.5 | -175.3 | -73.4 | -165.4 | -65.3 | 0 | 0 | 113 | D1041 F1045 C1046 S1047 | D1041-M1043 WeakPolarHBondContact OD1-CG 3.16Å; D1041-M1043 PolarHBondContact OD1-N 3.03Å; M1043-F1045 VanDerWaalsContact C-N 3.3Å; M1043-F1045 PolarHBondContact O-N 3.31Å; M1043-C1046 PolarHBondContact O-N 3.22Å; M1043-S1047 PolarHBondContact O-N 2.78Å; M1043-S1047 VanDerWaalsContact O-N 3.08Å; M1043-S1047 PolarHBondContact O-OG 3.16Å |
| 1044 | E | 79.4 | Confident | 70.3 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 175.3 | -163.6 | -166.1 | 148.7 | 0 | 0 | 112.1 | L1042 Q1048 | L1042-E1044 VanDerWaalsContact C-N 3.3Å; L1042-E1044 PolarHBondContact O-N 3.17Å; E1044-Q1048 VanDerWaalsContact O-CG 3.31Å; E1044-Q1048 WeakPolarHBondContact O-CG 3.43Å; E1044-Q1048 PolarHBondContact O-N 2.96Å; E1044-Q1048 VanDerWaalsContact O-N 3.15Å; E1044-Q1048 PolarHBondContact OE1-NE2 2.65Å; E1044-Q1048 VanDerWaalsContact OE1-NE2 3.09Å |
| 1045 | F | 84.3 | Confident | 70.5 | Confident | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.2 | -174.3 | -102.9 | 0 | 0 | 0 | 112 | L1042 M1043 Q1048 V1049 W1232 K1235 L1236 L1239 L1309 | L1042-F1045 CarbonylContact O-C 3.56Å; L1042-F1045 WeakPolarHBondContact O-CA 3.25Å; L1042-F1045 WeakPolarHBondContact O-CB 3.43Å; L1042-F1045 PolarHBondContact O-N 2.75Å; M1043-F1045 VanDerWaalsContact C-N 3.3Å; M1043-F1045 PolarHBondContact O-N 3.31Å; F1045-Q1048 PolarHBondContact O-N 2.89Å; F1045-V1049 HydrophobicContact CD1-CG2 4.39Å; F1045-V1049 HydrophobicContact CE1-CG2 4Å; F1045-V1049 HydrophobicContact CZ-CG2 4.11Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.21Å; F1045-V1049 PolarHBondContact O-N 2.64Å; F1045-V1049 VanDerWaalsContact O-N 3.12Å; F1045-W1232 HydrophobicContact CD2-CZ3 4.49Å; F1045-W1232 AromaticContact CE2-CE3 3.63Å; F1045-W1232 HydrophobicContact CE2-CE3 3.63Å; F1045-W1232 AromaticContact CE2-CZ3 3.98Å; F1045-W1232 HydrophobicContact CE2-CZ3 3.98Å; F1045-W1232 AromaticContact CZ-CE3 3.8Å; F1045-W1232 HydrophobicContact CZ-CE3 3.8Å; F1045-K1235 HydrophobicContact CE2-CB 3.65Å; F1045-K1235 HydrophobicContact CE2-CD 4.2Å; F1045-K1235 HydrophobicContact CZ-CB 4.24Å; F1045-L1236 HydrophobicContact CD1-CD1 4.13Å; F1045-L1236 HydrophobicContact CE1-CB 3.92Å; F1045-L1236 HydrophobicContact CE1-CD1 3.84Å; F1045-L1236 HydrophobicContact CE1-CG 4.35Å; F1045-L1236 HydrophobicContact CZ-CB 3.82Å; F1045-L1239 HydrophobicContact CB-CD1 4.18Å; F1045-L1239 HydrophobicContact CD2-CD1 3.66Å; F1045-L1239 HydrophobicContact CE2-CD1 4.31Å; F1045-L1239 HydrophobicContact CG-CD1 4.03Å; F1045-L1309 HydrophobicContact CD1-CD1 3.95Å; F1045-L1309 HydrophobicContact CD1-CD2 4.19Å; F1045-L1309 HydrophobicContact CE1-CD1 4.19Å; F1045-L1309 HydrophobicContact CE1-CD2 3.9Å |
| 1046 | C | 81.1 | Confident | 71.2 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.9 | -51 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | L1042 M1043 Q1048 V1049 E1050 L1309 | L1042-C1046 PolarHBondContact O-N 3.38Å; L1042-C1046 PolarHBondContact O-SG 3.01Å; M1043-C1046 PolarHBondContact O-N 3.22Å; C1046-Q1048 VanDerWaalsContact C-N 3.33Å; C1046-Q1048 PolarHBondContact O-N 3.06Å; C1046-V1049 PolarHBondContact O-N 3.11Å; C1046-V1049 VanDerWaalsContact O-N 3.08Å; C1046-E1050 PolarHBondContact O-N 2.93Å; C1046-L1309 HydrophobicContact CB-CD1 4.11Å; C1046-L1309 VanDerWaalsContact SG-CD1 3.55Å |
| 1047 | S | 80.5 | Confident | 72.7 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 44% | 0.441 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | M1043 V1049 E1050 E1051 | M1043-S1047 PolarHBondContact O-N 2.78Å; M1043-S1047 VanDerWaalsContact O-N 3.08Å; M1043-S1047 PolarHBondContact O-OG 3.16Å; S1047-V1049 VanDerWaalsContact C-N 3.28Å; S1047-V1049 PolarHBondContact O-N 2.92Å; S1047-E1050 PolarHBondContact O-N 3.3Å; S1047-E1051 PolarHBondContact O-N 2.78Å |
| 1048 | Q | 82.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -31.1 | 175 | -73.5 | 177.3 | 29.4 | 0 | 0 | 113.3 | E1044 F1045 C1046 W1052 W1232 | E1044-Q1048 VanDerWaalsContact O-CG 3.31Å; E1044-Q1048 WeakPolarHBondContact O-CG 3.43Å; E1044-Q1048 PolarHBondContact O-N 2.96Å; E1044-Q1048 VanDerWaalsContact O-N 3.15Å; E1044-Q1048 PolarHBondContact OE1-NE2 2.65Å; E1044-Q1048 VanDerWaalsContact OE1-NE2 3.09Å; F1045-Q1048 PolarHBondContact O-N 2.89Å; C1046-Q1048 VanDerWaalsContact C-N 3.33Å; C1046-Q1048 PolarHBondContact O-N 3.06Å; Q1048-W1052 WeakPolarHBondContact O-CB 3.42Å; Q1048-W1052 PolarHBondContact O-N 3.43Å; Q1048-W1232 HydrophobicContact CB-CH2 3.95Å; Q1048-W1232 HydrophobicContact CB-CZ3 3.92Å; Q1048-W1232 WeakPolarHBondContact O-CH2 3.43Å |
| 1049 | V | 80 | Confident | 76.1 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.4 | -39.6 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | F1045 C1046 S1047 W1052 E1053 L1228 W1232 L1308 L1309 | F1045-V1049 HydrophobicContact CD1-CG2 4.39Å; F1045-V1049 HydrophobicContact CE1-CG2 4Å; F1045-V1049 HydrophobicContact CZ-CG2 4.11Å; F1045-V1049 WeakPolarHBondContact O-CG2 3.21Å; F1045-V1049 PolarHBondContact O-N 2.64Å; F1045-V1049 VanDerWaalsContact O-N 3.12Å; C1046-V1049 PolarHBondContact O-N 3.11Å; C1046-V1049 VanDerWaalsContact O-N 3.08Å; S1047-V1049 VanDerWaalsContact C-N 3.28Å; S1047-V1049 PolarHBondContact O-N 2.92Å; V1049-W1052 HydrophobicContact CG1-CE3 4.46Å; V1049-W1052 PolarHBondContact O-N 3.09Å; V1049-E1053 PolarHBondContact O-N 3.39Å; V1049-L1228 HydrophobicContact CG1-CD2 3.96Å; V1049-L1228 HydrophobicContact CG2-CD2 4.11Å; V1049-W1232 HydrophobicContact CG2-CD2 4.05Å; V1049-W1232 HydrophobicContact CG2-CE3 3.51Å; V1049-W1232 HydrophobicContact CG2-CZ3 3.8Å; V1049-L1308 HydrophobicContact CG1-CD2 3.9Å; V1049-L1309 HydrophobicContact CB-CD1 4.46Å; V1049-L1309 HydrophobicContact CG2-CD1 4.35Å |
| 1050 | E | 74.1 | Confident | 77.6 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 175.5 | -70.5 | -177.6 | 152.9 | 0 | 0 | 112 | C1046 S1047 W1052 E1053 H1054 | C1046-E1050 PolarHBondContact O-N 2.93Å; S1047-E1050 PolarHBondContact O-N 3.3Å; E1050-W1052 VanDerWaalsContact C-N 3.33Å; E1050-W1052 PolarHBondContact O-N 3.37Å; E1050-E1053 PolarHBondContact O-N 3.35Å; E1050-H1054 PolarHBondContact O-CD2 3.24Å; E1050-H1054 VanDerWaalsContact O-CD2 3.25Å; E1050-H1054 PolarHBondContact O-N 3.2Å |
| 1051 | E | 77.2 | Confident | 78.7 | Confident | 137 Ų | 137 | 67 Ų | 67 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 174.9 | -70.9 | -175.5 | 158.2 | 0 | 0 | 111.8 | S1047 E1053 H1054 D1055 | S1047-E1051 PolarHBondContact O-N 2.78Å; E1051-E1053 PolarHBondContact O-N 3.37Å; E1051-H1054 PolarHBondContact O-N 3.29Å; E1051-D1055 PolarHBondContact O-N 3.49Å |
| 1052 | W | 75 | Confident | 79.6 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 179 | 167.4 | 80.8 | 0 | 0 | 0 | 113.4 | Q1048 V1049 E1050 H1054 N1056 D1229 W1232 | Q1048-W1052 WeakPolarHBondContact O-CB 3.42Å; Q1048-W1052 PolarHBondContact O-N 3.43Å; V1049-W1052 HydrophobicContact CG1-CE3 4.46Å; V1049-W1052 PolarHBondContact O-N 3.09Å; E1050-W1052 VanDerWaalsContact C-N 3.33Å; E1050-W1052 PolarHBondContact O-N 3.37Å; W1052-H1054 PolarHBondContact O-N 3.33Å; W1052-N1056 WeakPolarHBondContact CA-ND2 3.29Å; W1052-N1056 PolarHBondContact O-ND2 3.17Å; W1052-D1229 WeakPolarHBondContact CZ2-OD2 3.3Å; W1052-W1232 HydrophobicContact CB-CH2 4.24Å; W1052-W1232 HydrophobicContact CB-CZ2 3.53Å; W1052-W1232 AromaticContact CD1-CE2 3.95Å; W1052-W1232 AromaticContact CD1-CZ2 3.81Å; W1052-W1232 AromaticContact CD1-NE1 3.49Å; W1052-W1232 AromaticContact CD2-CD1 3.99Å; W1052-W1232 AromaticContact CD2-CE2 3.87Å; W1052-W1232 HydrophobicContact CD2-CZ2 4.22Å; W1052-W1232 AromaticContact CD2-NE1 3.23Å; W1052-W1232 AromaticContact CE2-CD1 3.8Å; W1052-W1232 AromaticContact CE2-NE1 3.19Å; W1052-W1232 AromaticContact CE3-NE1 3.86Å; W1052-W1232 AromaticContact CG-CE2 3.69Å; W1052-W1232 AromaticContact CG-CZ2 3.55Å; W1052-W1232 HydrophobicContact CG-CZ2 3.55Å; W1052-W1232 AromaticContact CG-NE1 3.43Å; W1052-W1232 AromaticContact CZ2-CD1 3.89Å; W1052-W1232 AromaticContact CZ2-NE1 3.77Å; W1052-W1232 AromaticContact NE1-NE1 3.33Å |
| 1053 | E | 66.8 | Low | 80.3 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -26.1 | 176.9 | -79.6 | -150.9 | -178.8 | 0 | 0 | 113.5 | V1049 E1050 E1051 R1150 I1226 | V1049-E1053 PolarHBondContact O-N 3.39Å; E1050-E1053 PolarHBondContact O-N 3.35Å; E1051-E1053 PolarHBondContact O-N 3.37Å; E1053-R1150 VanDerWaalsContact CD-NH1 3.32Å; E1053-R1150 IonicContact OE1-NH2 2.69Å; E1053-R1150 IonicContact OE2-CZ 2.71Å; E1053-R1150 IonicContact OE2-NH1 3.66Å; E1053-R1150 PolarHBondContact OE2-NH1 2.36Å; E1053-R1150 IonicContact OE2-NH2 3.13Å; E1053-R1150 PolarHBondContact OE2-NH2 3.06Å; E1053-I1226 WeakPolarHBondContact OE1-CG2 3.24Å |
| 1054 | H | 66.1 | Low | 81 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 39% | 0.394 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82.7 | -47.2 | -175.9 | -87.8 | -65.4 | 0 | 0 | 0 | 114 | E1050 E1051 W1052 W1405 | E1050-H1054 PolarHBondContact O-CD2 3.24Å; E1050-H1054 VanDerWaalsContact O-CD2 3.25Å; E1050-H1054 PolarHBondContact O-N 3.2Å; E1051-H1054 PolarHBondContact O-N 3.29Å; W1052-H1054 PolarHBondContact O-N 3.33Å; H1054-W1405 AromaticContact CE1-CE3 3.62Å; H1054-W1405 AromaticContact CE1-CZ3 3.59Å; H1054-W1405 AromaticContact NE2-CZ3 3.82Å |
| 1055 | D | 67 | Low | 81.5 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -95.7 | -20.1 | -162.7 | -76.7 | -8.2 | 0 | 0 | 0 | 114.8 | E1051 | E1051-D1055 PolarHBondContact O-N 3.49Å |
| 1056 | N | 75.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -97.6 | 18.7 | -168.1 | -57.9 | -83.9 | 0 | 0 | 0 | 115.1 | W1052 S1161 | W1052-N1056 WeakPolarHBondContact CA-ND2 3.29Å; W1052-N1056 PolarHBondContact O-ND2 3.17Å; N1056-S1161 WeakPolarHBondContact O-CA 3.32Å |
| 1057 | F | 85.5 | Confident | 82.2 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 121.8 | -171.8 | -84.2 | -79.1 | 0 | 0 | 0 | 114.3 | R1150 L1159 | F1057-R1150 HydrophobicContact CD1-CB 4.08Å; F1057-R1150 HydrophobicContact CE1-CB 3.75Å; F1057-R1150 HydrophobicContact CZ-CB 4.19Å; F1057-L1159 HydrophobicContact CB-CB 4.14Å; F1057-L1159 HydrophobicContact CB-CD1 4.22Å; F1057-L1159 HydrophobicContact CD1-CB 4.02Å; F1057-L1159 HydrophobicContact CG-CB 4.48Å |
| 1058 | Y | 89 | Confident | 82.6 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 142.2 | -172.9 | -53.4 | -88.8 | 0 | 0 | 0 | 112.2 | M1062 L1159 F1160 D1162 V1165 | Y1058-M1062 HydrophobicContact CD1-CB 4.33Å; Y1058-M1062 HydrophobicContact CD1-CE 4.09Å; Y1058-L1159 CarbonylContact O-C 3.58Å; Y1058-L1159 VanDerWaalsContact O-CA 3.25Å; Y1058-L1159 WeakPolarHBondContact O-CA 3.39Å; Y1058-F1160 WeakPolarHBondContact CD2-O 3.4Å; Y1058-F1160 PolarHBondContact N-O 3Å; Y1058-F1160 PolarHBondContact O-N 3.26Å; Y1058-D1162 VanDerWaalsContact CE2-CG 3.48Å; Y1058-D1162 WeakPolarHBondContact CE2-OD1 3.14Å; Y1058-D1162 WeakPolarHBondContact CE2-OD2 3.44Å; Y1058-D1162 PolarHBondContact OH-OD1 3.24Å; Y1058-V1165 HydrophobicContact CD2-CG2 4.34Å |
| 1059 | T | 89.1 | Confident | 82.8 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.153 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 160.3 | 171.5 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | I1061 M1062 V1063 L1159 | T1059-I1061 PolarHBondContact O-N 3.37Å; T1059-M1062 HydrophobicContact CG2-SD 4.1Å; T1059-M1062 PolarHBondContact O-N 3.46Å; T1059-M1062 WeakPolarHBondContact OG1-CG 3.43Å; T1059-M1062 PolarHBondContact OG1-N 3.18Å; T1059-M1062 PolarHBondContact OG1-SD 2.93Å; T1059-M1062 VanDerWaalsContact OG1-SD 3.42Å; T1059-V1063 PolarHBondContact O-N 3.24Å; T1059-L1159 HydrophobicContact CG2-CD2 3.73Å |
| 1060 | N | 87 | Confident | 83.2 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.7 | -30 | 175.4 | -56.7 | 29.6 | 0 | 0 | 0 | 113.6 | A1064 V1071 N1075 W1158 F1160 | N1060-A1064 VanDerWaalsContact O-CB 3.23Å; N1060-A1064 WeakPolarHBondContact O-CB 3.49Å; N1060-A1064 PolarHBondContact O-N 3.33Å; N1060-A1064 VanDerWaalsContact O-N 3.15Å; N1060-V1071 HydrophobicContact CB-CG1 4.01Å; N1060-N1075 PolarHBondContact ND2-OD1 3.1Å; N1060-W1158 WeakPolarHBondContact OD1-CB 3.33Å; N1060-W1158 PolarHBondContact OD1-O 3.26Å; N1060-F1160 WeakPolarHBondContact OD1-CE2 3.42Å |
| 1061 | I | 88.4 | Confident | 83.8 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.5 | -42.9 | 178.1 | -58.7 | 174.4 | 0 | 0 | 0 | 110.6 | T1059 A1064 D1065 V1071 | T1059-I1061 PolarHBondContact O-N 3.37Å; I1061-A1064 WeakPolarHBondContact O-CB 3.47Å; I1061-A1064 PolarHBondContact O-N 3.36Å; I1061-D1065 WeakPolarHBondContact O-CB 3.38Å; I1061-D1065 PolarHBondContact O-N 3.33Å; I1061-V1071 HydrophobicContact CG1-CG2 4.35Å |
| 1062 | M | 90.4 | Very high | 84.3 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 178.9 | -64.3 | 160.8 | 83.5 | 0 | 0 | 111.7 | Y1058 T1059 A1064 D1065 Q1066 | Y1058-M1062 HydrophobicContact CD1-CB 4.33Å; Y1058-M1062 HydrophobicContact CD1-CE 4.09Å; T1059-M1062 HydrophobicContact CG2-SD 4.1Å; T1059-M1062 PolarHBondContact O-N 3.46Å; T1059-M1062 WeakPolarHBondContact OG1-CG 3.43Å; T1059-M1062 PolarHBondContact OG1-N 3.18Å; T1059-M1062 PolarHBondContact OG1-SD 2.93Å; T1059-M1062 VanDerWaalsContact OG1-SD 3.42Å; M1062-A1064 VanDerWaalsContact C-N 3.34Å; M1062-D1065 PolarHBondContact O-N 3.02Å; M1062-Q1066 WeakPolarHBondContact O-CB 3.45Å; M1062-Q1066 WeakPolarHBondContact O-CG 3.11Å; M1062-Q1066 PolarHBondContact O-N 2.9Å |
| 1063 | V | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | T1059 L1067 V1074 F1160 V1165 L1168 | T1059-V1063 PolarHBondContact O-N 3.24Å; V1063-L1067 HydrophobicContact CG1-CD1 3.8Å; V1063-L1067 HydrophobicContact CG1-CG 4.46Å; V1063-L1067 WeakPolarHBondContact O-CB 3.46Å; V1063-L1067 VanDerWaalsContact O-CG 3.25Å; V1063-L1067 WeakPolarHBondContact O-CG 3.42Å; V1063-L1067 PolarHBondContact O-N 3.19Å; V1063-V1074 HydrophobicContact CB-CG1 4.17Å; V1063-V1074 HydrophobicContact CG1-CG1 3.71Å; V1063-V1074 HydrophobicContact CG1-CG2 4.06Å; V1063-F1160 HydrophobicContact CG2-CB 4.11Å; V1063-F1160 HydrophobicContact CG2-CD2 4.32Å; V1063-V1165 HydrophobicContact CG1-CG2 4.24Å; V1063-V1165 HydrophobicContact CG2-CG2 4.03Å; V1063-L1168 HydrophobicContact CG1-CD1 4.05Å |
| 1064 | A | 91.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1060 I1061 M1062 L1067 S1068 V1069 V1071 V1074 | N1060-A1064 VanDerWaalsContact O-CB 3.23Å; N1060-A1064 WeakPolarHBondContact O-CB 3.49Å; N1060-A1064 PolarHBondContact O-N 3.33Å; N1060-A1064 VanDerWaalsContact O-N 3.15Å; I1061-A1064 WeakPolarHBondContact O-CB 3.47Å; I1061-A1064 PolarHBondContact O-N 3.36Å; M1062-A1064 VanDerWaalsContact C-N 3.34Å; A1064-L1067 CarbonylContact O-C 3.57Å; A1064-L1067 PolarHBondContact O-N 3.08Å; A1064-S1068 WeakPolarHBondContact O-CA 3.43Å; A1064-S1068 PolarHBondContact O-N 3.45Å; A1064-V1069 WeakPolarHBondContact CB-O 3.35Å; A1064-V1069 PolarHBondContact O-N 3.33Å; A1064-V1071 HydrophobicContact CB-CB 4.28Å; A1064-V1071 HydrophobicContact CB-CG2 3.8Å; A1064-V1074 HydrophobicContact CB-CG2 3.91Å |
| 1065 | D | 90 | Very high | 86.9 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 68% | 0.684 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.2 | -50.9 | 175.1 | -165.9 | 59 | 0 | 0 | 0 | 111.8 | I1061 M1062 L1067 S1068 | I1061-D1065 WeakPolarHBondContact O-CB 3.38Å; I1061-D1065 PolarHBondContact O-N 3.33Å; M1062-D1065 PolarHBondContact O-N 3.02Å; D1065-L1067 PolarHBondContact O-N 3.21Å; D1065-S1068 PolarHBondContact O-N 3.03Å |
| 1066 | Q | 89.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.7 | -29.6 | 175.7 | -77.3 | -179.3 | -18.9 | 0 | 0 | 114.2 | M1062 V1165 | M1062-Q1066 WeakPolarHBondContact O-CB 3.45Å; M1062-Q1066 WeakPolarHBondContact O-CG 3.11Å; M1062-Q1066 PolarHBondContact O-N 2.9Å; Q1066-V1165 HydrophobicContact CB-CG1 4.45Å |
| 1067 | L | 89.8 | Confident | 88.5 | Confident | 27 Ų | 27 | 49 Ų | 49 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.2 | 175.2 | -66.1 | 174.4 | 0 | 0 | 0 | 113 | V1063 A1064 D1065 V1069 V1074 V1165 L1168 K1169 | V1063-L1067 HydrophobicContact CG1-CD1 3.8Å; V1063-L1067 HydrophobicContact CG1-CG 4.46Å; V1063-L1067 WeakPolarHBondContact O-CB 3.46Å; V1063-L1067 VanDerWaalsContact O-CG 3.25Å; V1063-L1067 WeakPolarHBondContact O-CG 3.42Å; V1063-L1067 PolarHBondContact O-N 3.19Å; A1064-L1067 CarbonylContact O-C 3.57Å; A1064-L1067 PolarHBondContact O-N 3.08Å; D1065-L1067 PolarHBondContact O-N 3.21Å; L1067-V1069 VanDerWaalsContact C-N 3.26Å; L1067-V1069 HydrophobicContact CB-CG2 3.92Å; L1067-V1069 PolarHBondContact O-N 3.48Å; L1067-V1074 HydrophobicContact CD1-CG2 4.26Å; L1067-V1165 HydrophobicContact CD2-CG1 4.29Å; L1067-L1168 HydrophobicContact CD1-CB 3.73Å; L1067-L1168 HydrophobicContact CD1-CD1 3.81Å; L1067-L1168 HydrophobicContact CD1-CG 4.4Å; L1067-L1168 HydrophobicContact CD2-CB 4.41Å; L1067-K1169 HydrophobicContact CD2-CG 3.52Å |
| 1068 | S | 89.6 | Confident | 88.7 | Confident | 114 Ų | 114 | 47.6 Ų | 47.6 | 80% | 0.797 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.1 | -173.6 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | A1064 D1065 | A1064-S1068 WeakPolarHBondContact O-CA 3.43Å; A1064-S1068 PolarHBondContact O-N 3.45Å; D1065-S1068 PolarHBondContact O-N 3.03Å |
| 1069 | V | 87.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -123.6 | 156.9 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 112 | A1064 L1067 V1073 V1074 W1179 | A1064-V1069 WeakPolarHBondContact CB-O 3.35Å; A1064-V1069 PolarHBondContact O-N 3.33Å; L1067-V1069 VanDerWaalsContact C-N 3.26Å; L1067-V1069 HydrophobicContact CB-CG2 3.92Å; L1067-V1069 PolarHBondContact O-N 3.48Å; V1069-V1073 HydrophobicContact CB-CB 4.24Å; V1069-V1073 HydrophobicContact CB-CG1 4.44Å; V1069-V1073 HydrophobicContact CB-CG2 4.42Å; V1069-V1073 HydrophobicContact CG2-CB 4.04Å; V1069-V1073 HydrophobicContact CG2-CG1 4.23Å; V1069-V1074 HydrophobicContact CG2-CG2 3.93Å; V1069-W1179 HydrophobicContact CG1-CZ2 4.2Å |
| 1070 | P | 87.5 | Confident | 88.1 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | trans | -60.1 | 143.9 | 172.2 | -25 | 35.4 | 0 | 0 | 0 | 113.1 | F1072 V1073 | P1070-F1072 HydrophobicContact CB-CD1 3.52Å; P1070-F1072 HydrophobicContact CB-CE1 3.54Å; P1070-F1072 HydrophobicContact CG-CD1 4.4Å; P1070-F1072 HydrophobicContact CG-CE1 3.92Å; P1070-F1072 PolarHBondContact O-N 2.89Å; P1070-V1073 HydrophobicContact CB-CG2 4.47Å; P1070-V1073 WeakPolarHBondContact O-CB 3.34Å; P1070-V1073 PolarHBondContact O-N 3.12Å | ||
| 1071 | V | 87.7 | Confident | 88 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56 | -24.8 | -177.8 | -168.8 | 0 | 0 | 0 | 0 | 113.3 | N1060 I1061 A1064 V1073 N1075 | N1060-V1071 HydrophobicContact CB-CG1 4.01Å; I1061-V1071 HydrophobicContact CG1-CG2 4.35Å; A1064-V1071 HydrophobicContact CB-CB 4.28Å; A1064-V1071 HydrophobicContact CB-CG2 3.8Å; V1071-V1073 VanDerWaalsContact C-N 3.31Å; V1071-V1073 PolarHBondContact O-N 2.99Å; V1071-N1075 VanDerWaalsContact O-CB 3.31Å; V1071-N1075 WeakPolarHBondContact O-CB 3.39Å; V1071-N1075 PolarHBondContact O-N 3.24Å; V1071-N1075 PolarHBondContact O-ND2 2.75Å |
| 1072 | F | 86.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.5 | -30.4 | 175.3 | 83.8 | -101.2 | 0 | 0 | 0 | 113 | P1070 N1075 R1076 | P1070-F1072 HydrophobicContact CB-CD1 3.52Å; P1070-F1072 HydrophobicContact CB-CE1 3.54Å; P1070-F1072 HydrophobicContact CG-CD1 4.4Å; P1070-F1072 HydrophobicContact CG-CE1 3.92Å; P1070-F1072 PolarHBondContact O-N 2.89Å; F1072-N1075 CarbonylContact O-C 3.58Å; F1072-N1075 WeakPolarHBondContact O-CB 3.46Å; F1072-N1075 PolarHBondContact O-N 3.12Å; F1072-R1076 WeakPolarHBondContact O-CG 3.44Å; F1072-R1076 PolarHBondContact O-N 3.45Å |
| 1073 | V | 87.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.5 | -51.7 | -179.5 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | V1069 P1070 V1071 N1075 R1076 F1077 W1179 V1182 L1183 | V1069-V1073 HydrophobicContact CB-CB 4.24Å; V1069-V1073 HydrophobicContact CB-CG1 4.44Å; V1069-V1073 HydrophobicContact CB-CG2 4.42Å; V1069-V1073 HydrophobicContact CG2-CB 4.04Å; V1069-V1073 HydrophobicContact CG2-CG1 4.23Å; P1070-V1073 HydrophobicContact CB-CG2 4.47Å; P1070-V1073 WeakPolarHBondContact O-CB 3.34Å; P1070-V1073 PolarHBondContact O-N 3.12Å; V1071-V1073 VanDerWaalsContact C-N 3.31Å; V1071-V1073 PolarHBondContact O-N 2.99Å; V1073-N1075 PolarHBondContact O-N 2.98Å; V1073-R1076 PolarHBondContact O-N 2.99Å; V1073-F1077 HydrophobicContact CG1-CD2 3.81Å; V1073-F1077 HydrophobicContact CG1-CE2 3.86Å; V1073-F1077 WeakPolarHBondContact O-CD2 3.47Å; V1073-F1077 PolarHBondContact O-N 3.4Å; V1073-W1179 HydrophobicContact CG1-CH2 4.34Å; V1073-W1179 HydrophobicContact CG1-CZ2 4.05Å; V1073-V1182 HydrophobicContact CG1-CG1 4.35Å; V1073-L1183 HydrophobicContact CG2-CD2 3.74Å; V1073-L1183 HydrophobicContact CG2-CG 4.21Å |
| 1074 | V | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.1 | -45.2 | 170.9 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | V1063 A1064 L1067 V1069 R1076 T1078 L1168 | V1063-V1074 HydrophobicContact CB-CG1 4.17Å; V1063-V1074 HydrophobicContact CG1-CG1 3.71Å; V1063-V1074 HydrophobicContact CG1-CG2 4.06Å; A1064-V1074 HydrophobicContact CB-CG2 3.91Å; L1067-V1074 HydrophobicContact CD1-CG2 4.26Å; V1069-V1074 HydrophobicContact CG2-CG2 3.93Å; V1074-R1076 VanDerWaalsContact C-N 3.29Å; V1074-R1076 PolarHBondContact O-N 3.39Å; V1074-T1078 HydrophobicContact CG1-CG2 3.92Å; V1074-T1078 WeakPolarHBondContact O-CB 3.47Å; V1074-T1078 VanDerWaalsContact O-CG2 3.3Å; V1074-T1078 WeakPolarHBondContact O-CG2 3.46Å; V1074-T1078 PolarHBondContact O-N 3.09Å; V1074-T1078 PolarHBondContact O-OG1 2.68Å; V1074-L1168 HydrophobicContact CG1-CD1 4.43Å |
| 1075 | N | 86.6 | Confident | 86.9 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -22.7 | 177.7 | -92.9 | -44 | 0 | 0 | 0 | 115.2 | N1060 V1071 F1072 V1073 K1137 | N1060-N1075 PolarHBondContact ND2-OD1 3.1Å; V1071-N1075 VanDerWaalsContact O-CB 3.31Å; V1071-N1075 WeakPolarHBondContact O-CB 3.39Å; V1071-N1075 PolarHBondContact O-N 3.24Å; V1071-N1075 PolarHBondContact O-ND2 2.75Å; F1072-N1075 CarbonylContact O-C 3.58Å; F1072-N1075 WeakPolarHBondContact O-CB 3.46Å; F1072-N1075 PolarHBondContact O-N 3.12Å; V1073-N1075 PolarHBondContact O-N 2.98Å; N1075-K1137 WeakPolarHBondContact O-CE 3.36Å; N1075-K1137 PolarHBondContact O-NZ 2.71Å; N1075-K1137 PolarHBondContact OD1-NZ 3.18Å |
| 1076 | R | 86.3 | Confident | 86.5 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -86 | -50.6 | 174 | -73.4 | -170.4 | -171.3 | -177 | 17.5 | 111.3 | F1072 V1073 V1074 T1078 G1079 L1081 V1182 S1185 | F1072-R1076 WeakPolarHBondContact O-CG 3.44Å; F1072-R1076 PolarHBondContact O-N 3.45Å; V1073-R1076 PolarHBondContact O-N 2.99Å; V1074-R1076 VanDerWaalsContact C-N 3.29Å; V1074-R1076 PolarHBondContact O-N 3.39Å; R1076-T1078 PolarHBondContact O-N 3.45Å; R1076-G1079 CarbonylContact O-C 3.6Å; R1076-G1079 PolarHBondContact O-N 2.95Å; R1076-G1079 VanDerWaalsContact O-N 3.14Å; R1076-L1081 HydrophobicContact CB-CD1 4.47Å; R1076-V1182 HydrophobicContact CB-CG1 4.47Å; R1076-S1185 PolarHBondContact NH1-OG 3.38Å; R1076-S1185 PolarHBondContact NH2-O 3.1Å; R1076-S1185 VanDerWaalsContact NH2-O 3.1Å |
| 1077 | F | 89.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | -178.1 | -75 | -70.2 | 0 | 0 | 0 | 113.8 | V1073 G1079 L1081 L1134 L1168 F1171 W1179 V1182 | V1073-F1077 HydrophobicContact CG1-CD2 3.81Å; V1073-F1077 HydrophobicContact CG1-CE2 3.86Å; V1073-F1077 WeakPolarHBondContact O-CD2 3.47Å; V1073-F1077 PolarHBondContact O-N 3.4Å; F1077-G1079 PolarHBondContact O-N 3.28Å; F1077-L1081 HydrophobicContact CD1-CD2 4.05Å; F1077-L1081 HydrophobicContact CE1-CD2 3.81Å; F1077-L1081 HydrophobicContact CZ-CD2 4.31Å; F1077-L1134 WeakPolarHBondContact O-CB 3.32Å; F1077-L1134 WeakPolarHBondContact O-CG 3.35Å; F1077-L1134 PolarHBondContact O-N 2.89Å; F1077-L1168 HydrophobicContact CB-CD2 3.59Å; F1077-L1168 HydrophobicContact CG-CD2 4.41Å; F1077-F1171 HydrophobicContact CD1-CD1 4.38Å; F1077-F1171 HydrophobicContact CD1-CE1 4.07Å; F1077-F1171 HydrophobicContact CD1-CZ 4.31Å; F1077-F1171 AromaticContact CE1-CD1 3.99Å; F1077-F1171 HydrophobicContact CE1-CD1 3.99Å; F1077-F1171 AromaticContact CE1-CE1 3.38Å; F1077-F1171 HydrophobicContact CE1-CE1 3.38Å; F1077-F1171 AromaticContact CE1-CZ 3.81Å; F1077-F1171 HydrophobicContact CE1-CZ 3.81Å; F1077-F1171 HydrophobicContact CZ-CD1 4.45Å; F1077-F1171 AromaticContact CZ-CE1 3.98Å; F1077-F1171 HydrophobicContact CZ-CE1 3.98Å; F1077-W1179 HydrophobicContact CD1-CZ3 4.31Å; F1077-W1179 AromaticContact CD2-CE3 3.74Å; F1077-W1179 HydrophobicContact CD2-CE3 3.74Å; F1077-W1179 AromaticContact CD2-CH2 3.92Å; F1077-W1179 HydrophobicContact CD2-CH2 3.92Å; F1077-W1179 AromaticContact CD2-CZ3 3.34Å; F1077-W1179 HydrophobicContact CD2-CZ3 3.34Å; F1077-W1179 HydrophobicContact CE1-CE3 4.2Å; F1077-W1179 HydrophobicContact CE1-CZ3 4.35Å; F1077-W1179 AromaticContact CE2-CD2 3.93Å; F1077-W1179 HydrophobicContact CE2-CD2 3.93Å; F1077-W1179 AromaticContact CE2-CE3 3.22Å; F1077-W1179 HydrophobicContact CE2-CE3 3.22Å; F1077-W1179 HydrophobicContact CE2-CH2 4.18Å; F1077-W1179 AromaticContact CE2-CZ3 3.38Å; F1077-W1179 HydrophobicContact CE2-CZ3 3.38Å; F1077-W1179 HydrophobicContact CG-CE3 4.4Å; F1077-W1179 AromaticContact CG-CZ3 3.83Å; F1077-W1179 HydrophobicContact CG-CZ3 3.83Å; F1077-W1179 HydrophobicContact CZ-CD2 4.34Å; F1077-W1179 AromaticContact CZ-CE3 3.48Å; F1077-W1179 HydrophobicContact CZ-CE3 3.48Å; F1077-W1179 VanDerWaalsContact CZ-CE3 3.48Å; F1077-W1179 AromaticContact CZ-CZ3 3.91Å; F1077-W1179 HydrophobicContact CZ-CZ3 3.91Å; F1077-V1182 HydrophobicContact CD2-CG1 4.34Å; F1077-V1182 HydrophobicContact CE1-CG2 4.32Å; F1077-V1182 HydrophobicContact CE2-CB 3.81Å; F1077-V1182 HydrophobicContact CE2-CG1 3.67Å; F1077-V1182 HydrophobicContact CE2-CG2 3.96Å; F1077-V1182 HydrophobicContact CZ-CB 3.88Å; F1077-V1182 HydrophobicContact CZ-CG1 4.17Å; F1077-V1182 HydrophobicContact CZ-CG2 3.57Å |
| 1078 | T | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.4 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | V1074 R1076 N1135 L1136 K1137 F1160 T1164 L1168 | V1074-T1078 HydrophobicContact CG1-CG2 3.92Å; V1074-T1078 WeakPolarHBondContact O-CB 3.47Å; V1074-T1078 VanDerWaalsContact O-CG2 3.3Å; V1074-T1078 WeakPolarHBondContact O-CG2 3.46Å; V1074-T1078 PolarHBondContact O-N 3.09Å; V1074-T1078 PolarHBondContact O-OG1 2.68Å; R1076-T1078 PolarHBondContact O-N 3.45Å; T1078-N1135 CarbonylContact O-C 3.58Å; T1078-L1136 PolarHBondContact O-N 3.4Å; T1078-K1137 WeakPolarHBondContact O-CG 3.35Å; T1078-K1137 PolarHBondContact O-N 2.81Å; T1078-K1137 WeakPolarHBondContact OG1-CE 3.45Å; T1078-F1160 HydrophobicContact CG2-CD1 4.26Å; T1078-F1160 HydrophobicContact CG2-CD2 4.38Å; T1078-F1160 HydrophobicContact CG2-CE1 3.81Å; T1078-F1160 HydrophobicContact CG2-CE2 3.92Å; T1078-F1160 HydrophobicContact CG2-CZ 3.62Å; T1078-T1164 HydrophobicContact CG2-CG2 4.21Å; T1078-L1168 HydrophobicContact CG2-CD1 4.15Å |
| 1079 | G | 84.1 | Confident | 82.1 | Confident | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -96.8 | -149.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1076 F1077 G1133 L1134 N1135 | R1076-G1079 CarbonylContact O-C 3.6Å; R1076-G1079 PolarHBondContact O-N 2.95Å; R1076-G1079 VanDerWaalsContact O-N 3.14Å; F1077-G1079 PolarHBondContact O-N 3.28Å; G1079-G1133 CarbonylContact O-C 3.6Å; G1079-G1133 VanDerWaalsContact O-CA 3.29Å; G1079-G1133 WeakPolarHBondContact O-CA 3.22Å; G1079-L1134 PolarHBondContact O-N 2.97Å; G1079-N1135 WeakPolarHBondContact O-CA 3.45Å; G1079-N1135 PolarHBondContact O-N 2.94Å |
| 1080 | S | 79.8 | Confident | 79.5 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 57% | 0.566 | 30% | 0.301 | S | S | * | . | trans | -94.9 | 132.1 | 166.6 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | N1131 N1135 | S1080-N1131 WeakPolarHBondContact CA-OD1 3.41Å; S1080-N1135 WeakPolarHBondContact CA-OD1 3.38Å; S1080-N1135 WeakPolarHBondContact CB-OD1 3.32Å; S1080-N1135 PolarHBondContact OG-OD1 2.81Å | ||
| 1081 | L | 84.8 | Confident | 76.8 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | trans | -127.4 | 100.6 | 179.6 | 175.4 | 58.5 | 0 | 0 | 0 | 108.6 | R1076 F1077 N1131 I1132 V1182 | R1076-L1081 HydrophobicContact CB-CD1 4.47Å; F1077-L1081 HydrophobicContact CD1-CD2 4.05Å; F1077-L1081 HydrophobicContact CE1-CD2 3.81Å; F1077-L1081 HydrophobicContact CZ-CD2 4.31Å; L1081-N1131 PolarHBondContact N-OD1 2.99Å; L1081-N1131 WeakPolarHBondContact O-CA 3.47Å; L1081-N1131 PolarHBondContact O-OD1 2.68Å; L1081-I1132 HydrophobicContact CB-CG1 4.21Å; L1081-I1132 HydrophobicContact CD2-CD1 3.83Å; L1081-I1132 HydrophobicContact CD2-CG1 3.92Å; L1081-I1132 HydrophobicContact CG-CD1 4.21Å; L1081-I1132 HydrophobicContact CG-CG1 3.88Å; L1081-I1132 WeakPolarHBondContact O-CG1 3.48Å; L1081-I1132 PolarHBondContact O-N 3.03Å; L1081-V1182 HydrophobicContact CD2-CG2 3.71Å | ||
| 1082 | M | 83.9 | Confident | 74.3 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 131.9 | 178.7 | -57.4 | -53.7 | -57.4 | 0 | 0 | 110.9 | F1129 A1130 N1131 | M1082-F1129 HydrophobicContact CE-CB 3.8Å; M1082-A1130 CarbonylContact C-O 3.47Å; M1082-A1130 VanDerWaalsContact CA-O 3.31Å; M1082-A1130 WeakPolarHBondContact CA-O 3.5Å; M1082-N1131 HydrophobicContact CE-CB 4.3Å; M1082-N1131 HydrophobicContact SD-CB 3.68Å |
| 1083 | V | 84.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.5 | 175.2 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | F1129 A1130 I1132 I1196 L1198 V1203 | V1083-F1129 VanDerWaalsContact O-CA 3.23Å; V1083-F1129 WeakPolarHBondContact O-CA 3.29Å; V1083-A1130 HydrophobicContact CG2-CB 4.09Å; V1083-A1130 WeakPolarHBondContact CG2-O 3.44Å; V1083-A1130 PolarHBondContact N-O 2.99Å; V1083-A1130 PolarHBondContact O-N 3.01Å; V1083-I1132 HydrophobicContact CG1-CD1 3.6Å; V1083-I1132 HydrophobicContact CG1-CG1 3.79Å; V1083-I1132 HydrophobicContact CG2-CG1 4.2Å; V1083-I1132 HydrophobicContact CG2-CG2 3.92Å; V1083-I1196 WeakPolarHBondContact CA-O 3.18Å; V1083-I1196 VanDerWaalsContact CB-O 3.32Å; V1083-I1196 WeakPolarHBondContact CB-O 3.43Å; V1083-I1196 HydrophobicContact CG1-CB 4.07Å; V1083-I1196 HydrophobicContact CG1-CG2 3.95Å; V1083-L1198 HydrophobicContact CB-CD1 4.36Å; V1083-L1198 HydrophobicContact CB-CG 4.35Å; V1083-L1198 HydrophobicContact CG1-CD1 4.14Å; V1083-L1198 HydrophobicContact CG1-CG 4.33Å; V1083-L1198 HydrophobicContact CG2-CD1 4.17Å; V1083-V1203 HydrophobicContact CG2-CG2 4.27Å |
| 1084 | E | 85.6 | Confident | 69.3 | Low | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.093 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.2 | 174.3 | 179.8 | 178.6 | 159.4 | 0 | 0 | 108.2 | K1127 F1129 C1195 I1196 K1197 L1198 | E1084-K1127 IonicContact OE1-NZ 2.72Å; E1084-K1127 PolarHBondContact OE1-NZ 3.38Å; E1084-K1127 IonicContact OE2-NZ 2.71Å; E1084-K1127 PolarHBondContact OE2-NZ 2.82Å; E1084-F1129 HydrophobicContact CB-CD1 4.24Å; E1084-F1129 HydrophobicContact CB-CE1 3.96Å; E1084-F1129 HydrophobicContact CG-CE1 4.45Å; E1084-C1195 HydrophobicContact CB-CB 4.14Å; E1084-I1196 PolarHBondContact N-O 3.02Å; E1084-I1196 VanDerWaalsContact N-O 3.07Å; E1084-K1197 HydrophobicContact CB-CG 4.21Å; E1084-K1197 VanDerWaalsContact CD-CE 3.48Å; E1084-K1197 HydrophobicContact CG-CG 4.42Å; E1084-K1197 WeakPolarHBondContact O-CA 3.35Å; E1084-K1197 VanDerWaalsContact OE1-CE 3.28Å; E1084-K1197 WeakPolarHBondContact OE1-CE 3.29Å; E1084-K1197 IonicContact OE1-NZ 3.74Å; E1084-K1197 PolarHBondContact OE1-NZ 3.01Å; E1084-K1197 VanDerWaalsContact OE1-NZ 3.16Å; E1084-L1198 PolarHBondContact O-N 2.8Å |
| 1085 | V | 84.8 | Confident | 66.8 | Low | 17 Ų | 17 | 72.3 Ų | 72.3 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.2 | -176.7 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | S1128 A1130 V1203 | V1085-S1128 PolarHBondContact N-O 3.35Å; V1085-S1128 PolarHBondContact O-OG 3.22Å; V1085-A1130 HydrophobicContact CG2-CB 3.73Å; V1085-V1203 HydrophobicContact CG1-CG2 4.19Å; V1085-V1203 HydrophobicContact CG2-CG1 4.41Å; V1085-V1203 HydrophobicContact CG2-CG2 4.17Å |
| 1086 | T | 81.2 | Confident | 64.3 | Low | 48 Ų | 48 | 75.2 Ų | 75.2 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.2 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | K1197 L1198 N1199 S1200 | T1086-K1197 HydrophobicContact CG2-CB 4.31Å; T1086-K1197 HydrophobicContact CG2-CD 4.01Å; T1086-K1197 HydrophobicContact CG2-CG 4.41Å; T1086-L1198 PolarHBondContact N-O 3.16Å; T1086-L1198 PolarHBondContact OG1-O 3.18Å; T1086-N1199 CarbonylContact O-C 3.51Å; T1086-N1199 VanDerWaalsContact O-CA 3.27Å; T1086-N1199 WeakPolarHBondContact O-CA 3.2Å; T1086-S1200 PolarHBondContact O-N 2.98Å |
| 1087 | F | 75.9 | Confident | 61.7 | Low | 147 Ų | 147 | 77.7 Ų | 77.7 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -97.9 | 140.2 | 171.5 | -55.3 | -75.2 | 0 | 0 | 0 | 109.5 | S1128 | F1087-S1128 WeakPolarHBondContact CE2-OG 3.49Š|
| 1088 | E | 57.3 | Low | 59.1 | Low | 152 Ų | 152 | 85.9 Ų | 85.9 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 124.5 | 179.5 | -72.6 | 170.5 | -171 | 0 | 0 | 110.1 | N1199 | E1088-N1199 PolarHBondContact OE1-ND2 3.32Š|
| 1089 | S | 44.9 | Very low | 56.5 | Low | 105 Ų | 105 | 92.1 Ų | 92.1 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 116.9 | 172.9 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | S1091 | S1089-S1091 PolarHBondContact O-N 3.16Å; S1089-S1091 VanDerWaalsContact O-N 3.12Å |
| 1090 | C | 31.2 | Very low | 54.1 | Low | 137 Ų | 137 | 99.6 Ų | 99.6 | 93% | 0.926 | 58% | 0.579 | S | S | * | * | trans | -68.5 | 104.1 | -176.8 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1091 | S | 31.6 | Very low | 51.9 | Low | 102 Ų | 102 | 99 Ų | 99 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | trans | -159.3 | 106.9 | 168.2 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | S1089 | S1089-S1091 PolarHBondContact O-N 3.16Å; S1089-S1091 VanDerWaalsContact O-N 3.12Å | ||
| 1092 | S | 35.5 | Very low | 49.5 | Very low | 112 Ų | 112 | 107.8 Ų | 107.8 | 78% | 0.783 | 62% | 0.622 | S | S | * | * | trans | -171.1 | 144.2 | 160.6 | 39.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1093 | S | 36.8 | Very low | 47.1 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 81% | 0.811 | 64% | 0.635 | S | S | * | * | trans | 27.7 | 125.9 | 159.4 | 55.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1094 | G | 32.5 | Very low | 44.5 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | cis | 103.2 | 94.7 | 1.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1095 | D | 35.8 | Very low | 42 | Very low | 150 Ų | 150 | 124.4 Ų | 124.4 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | -169 | 130.9 | 152.6 | -115.5 | -16.8 | 0 | 0 | 0 | 113.9 | ||||
| 1096 | N | 34.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | 52.6 | 112.4 | 148.1 | -54.3 | -47 | 0 | 0 | 0 | 125.2 | ||||
| 1097 | N | 32.1 | Very low | 36.9 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | 50.9 | 118.1 | 124.5 | -50.5 | -23.3 | 0 | 0 | 0 | 122.7 | |||||
| 1098 | E | 34.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 177.7 | 153.2 | 97.8 | -97.1 | -165.2 | 163.9 | 0 | 0 | 114.8 | |||||
| 1099 | I | 35.3 | Very low | 33.7 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | trans | 50.6 | 91.3 | 154.7 | -57.5 | 165 | 0 | 0 | 0 | 117.3 | ||||
| 1100 | I | 34.1 | Very low | 33.1 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 76.7 | 103.5 | 79.1 | -62.2 | 162.2 | 0 | 0 | 0 | 116 | |||||
| 1101 | G | 32.2 | Very low | 33.2 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | 93 | 115.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1102 | K | 35.9 | Very low | 33.2 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | -174.7 | 131 | 100 | -97 | -179.9 | -179.1 | -180 | 0 | 114.8 | |||||
| 1103 | H | 33.8 | Very low | 33 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 51.4 | 103 | 153.5 | -73.7 | -77.4 | 0 | 0 | 0 | 122.6 | ||||
| 1104 | N | 28 | Very low | 32.7 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -60.1 | 154.9 | 130.5 | -63 | -20.4 | 0 | 0 | 0 | 110.7 | ||||
| 1105 | Q | 33.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | 173.5 | 118.6 | 117 | -96.7 | 168.4 | -23.8 | 0 | 0 | 111.9 | |||||
| 1106 | Y | 31.6 | Very low | 32.3 | Very low | 245 Ų | 245 | 145.9 Ų | 145.9 | 96% | 0.961 | 77% | 0.769 | S | S | * | * | -159.1 | 136.7 | 122.4 | -101.4 | -69.6 | 0 | 0 | 0 | 107.9 | |||||
| 1107 | S | 28.4 | Very low | 32.1 | Very low | 96 Ų | 96 | 146.8 Ų | 146.8 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | -160.3 | 129 | -164.8 | 55.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1108 | E | 32 | Very low | 32.1 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -159.2 | 107.7 | 161.3 | -100.2 | 143.5 | -144.9 | 0 | 0 | 104.5 | ||||
| 1109 | T | 34.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 62.2 | 133.1 | 79.5 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1110 | I | 32.4 | Very low | 32 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | cis | -143.6 | -170.4 | 26.8 | -26.5 | 176.4 | 0 | 0 | 0 | 110 | ||||
| 1111 | P | 33.2 | Very low | 32.1 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | -109.7 | 170.1 | -100.7 | 39.9 | -25.7 | 0 | 0 | 0 | 117.9 | |||||
| 1112 | D | 31 | Very low | 32.1 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | 29.2 | 112.5 | 144.2 | -61.7 | -45 | 0 | 0 | 0 | 121.1 | ||||
| 1113 | N | 31.3 | Very low | 32.1 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | -142.7 | 93.9 | 145.6 | -136.2 | -21.8 | 0 | 0 | 0 | 110.4 | G1115 | N1113-G1115 PolarHBondContact O-N 3.19Š| ||
| 1114 | N | 31.3 | Very low | 32 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -82.1 | 79.8 | -171.8 | -80.3 | -70.9 | 0 | 0 | 0 | 112.2 | ||||
| 1115 | G | 28.6 | Very low | 32.3 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | -112.9 | -29.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | N1113 | N1113-G1115 PolarHBondContact O-N 3.19Š| ||
| 1116 | E | 30.1 | Very low | 32.7 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | trans | -116.4 | 84.2 | -160.7 | -61.6 | -167.1 | 136.5 | 0 | 0 | 113.7 | ||||
| 1117 | N | 31.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | trans | -156.6 | 10.1 | 170.8 | -110.3 | -72.9 | 0 | 0 | 0 | 115.5 | ||||
| 1118 | N | 31.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -105.1 | -2.4 | -171.3 | -84.3 | -39.3 | 0 | 0 | 0 | 115.7 | ||
| 1119 | I | 33.8 | Very low | 38 | Very low | 81 Ų | 81 | 124 Ų | 124 | 42% | 0.415 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -43.1 | 179.9 | -69.5 | 175.7 | 0 | 0 | 0 | 111.1 | K1122 M1617 T1618 | I1119-K1122 PolarHBondContact O-N 3.24Å; I1119-M1617 WeakPolarHBondContact O-CE 3.44Å; I1119-T1618 WeakPolarHBondContact CG2-O 3.17Å |
| 1120 | E | 34.9 | Very low | 40.2 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -66 | -41.2 | -179.3 | -64.3 | -160.1 | 149 | 0 | 0 | 113.4 | K1122 K1123 M1617 | E1120-K1122 PolarHBondContact O-N 2.89Å; E1120-K1123 PolarHBondContact O-N 3.09Å; E1120-M1617 HydrophobicContact CG-CB 4.23Å; E1120-M1617 WeakPolarHBondContact O-CE 3.47Å |
| 1121 | K | 35.8 | Very low | 42.7 | Very low | 159 Ų | 159 | 113.2 Ų | 113.2 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -65.1 | -23.3 | -178.7 | -73.4 | 178.9 | 179.5 | 170.4 | 0 | 113.8 | K1123 C1124 | K1121-K1123 VanDerWaalsContact C-N 3.34Å; K1121-K1123 PolarHBondContact O-N 3.26Å; K1121-C1124 VanDerWaalsContact O-CB 3.32Å; K1121-C1124 WeakPolarHBondContact O-CB 3.4Å; K1121-C1124 PolarHBondContact O-N 3.43Å |
| 1122 | K | 32.7 | Very low | 45.3 | Very low | 190 Ų | 190 | 108.4 Ų | 108.4 | 83% | 0.826 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -74.5 | -9.3 | -177.3 | -87 | -177.9 | 175.8 | 175.4 | 0 | 115.9 | I1119 E1120 | I1119-K1122 PolarHBondContact O-N 3.24Å; E1120-K1122 PolarHBondContact O-N 2.89Å |
| 1123 | K | 34.6 | Very low | 47.8 | Very low | 95 Ų | 95 | 102 Ų | 102 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -94.3 | -10.9 | 166.4 | -76 | -169.1 | -157.1 | 165.2 | 0 | 114.6 | E1120 K1121 G1125 Q1126 M1617 T1618 | E1120-K1123 PolarHBondContact O-N 3.09Å; K1121-K1123 VanDerWaalsContact C-N 3.34Å; K1121-K1123 PolarHBondContact O-N 3.26Å; K1123-G1125 PolarHBondContact O-N 2.97Å; K1123-Q1126 PolarHBondContact O-N 3.11Å; K1123-M1617 HydrophobicContact CB-CE 3.64Å; K1123-M1617 HydrophobicContact CB-SD 3.74Å; K1123-M1617 HydrophobicContact CD-CE 3.67Å; K1123-M1617 HydrophobicContact CD-CG 4.16Å; K1123-M1617 HydrophobicContact CD-SD 3.63Å; K1123-M1617 HydrophobicContact CG-CE 3.45Å; K1123-M1617 VanDerWaalsContact CG-CE 3.45Å; K1123-M1617 HydrophobicContact CG-SD 3.91Å; K1123-T1618 VanDerWaalsContact CE-OG1 3.27Å; K1123-T1618 WeakPolarHBondContact CE-OG1 3.3Å; K1123-T1618 PolarHBondContact NZ-OG1 2.89Å |
| 1124 | C | 32.7 | Very low | 50.5 | Low | 119 Ų | 119 | 94.3 Ų | 94.3 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -9.1 | -171.9 | -159.4 | 0 | 0 | 0 | 0 | 114.6 | K1121 | K1121-C1124 VanDerWaalsContact O-CB 3.32Å; K1121-C1124 WeakPolarHBondContact O-CB 3.4Å; K1121-C1124 PolarHBondContact O-N 3.43Å |
| 1125 | G | 33.4 | Very low | 53.1 | Low | 73 Ų | 73 | 88.2 Ų | 88.2 | 75% | 0.753 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -7.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1123 K1127 | K1123-G1125 PolarHBondContact O-N 2.97Å; G1125-K1127 PolarHBondContact O-N 2.76Å |
| 1126 | Q | 41.3 | Very low | 55.8 | Low | 158 Ų | 158 | 85.3 Ų | 85.3 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | trans | -80.3 | 109 | -177.3 | -76.6 | -167.1 | -30.7 | 0 | 0 | 112.3 | K1123 S1128 | K1123-Q1126 PolarHBondContact O-N 3.11Å; Q1126-S1128 PolarHBondContact O-N 2.83Å; Q1126-S1128 VanDerWaalsContact O-N 3.12Å | ||
| 1127 | K | 54.5 | Low | 58.3 | Low | 122 Ų | 122 | 78.2 Ų | 78.2 | 53% | 0.53 | 41% | 0.405 | S | S | . | . | trans | -61 | 110.2 | 168.1 | -71.2 | 174.5 | 173 | -100 | 0 | 110.4 | E1084 G1125 F1129 | E1084-K1127 IonicContact OE1-NZ 2.72Å; E1084-K1127 PolarHBondContact OE1-NZ 3.38Å; E1084-K1127 IonicContact OE2-NZ 2.71Å; E1084-K1127 PolarHBondContact OE2-NZ 2.82Å; G1125-K1127 PolarHBondContact O-N 2.76Å; K1127-F1129 HydrophobicContact CB-CD2 4.45Å; K1127-F1129 HydrophobicContact CB-CE2 3.76Å; K1127-F1129 HydrophobicContact CB-CZ 4.14Å; K1127-F1129 HydrophobicContact CD-CZ 4.34Å; K1127-F1129 VanDerWaalsContact O-CD2 3.31Å; K1127-F1129 WeakPolarHBondContact O-CD2 3.25Å | ||
| 1128 | S | 70 | Confident | 60.2 | Low | 40 Ų | 40 | 76.2 Ų | 76.2 | 28% | 0.28 | 39% | 0.388 | S | S | . | . | trans | -74.4 | 134.8 | 170.8 | 39.3 | 0 | 0 | 0 | 0 | 110.3 | V1085 F1087 Q1126 | V1085-S1128 PolarHBondContact N-O 3.35Å; V1085-S1128 PolarHBondContact O-OG 3.22Å; F1087-S1128 WeakPolarHBondContact CE2-OG 3.49Å; Q1126-S1128 PolarHBondContact O-N 2.83Å; Q1126-S1128 VanDerWaalsContact O-N 3.12Å | ||
| 1129 | F | 78.9 | Confident | 62.1 | Low | 109 Ų | 109 | 75.7 Ų | 75.7 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133 | 176.8 | -67.9 | -86.3 | 0 | 0 | 0 | 110.6 | M1082 V1083 E1084 K1127 | M1082-F1129 HydrophobicContact CE-CB 3.8Å; V1083-F1129 VanDerWaalsContact O-CA 3.23Å; V1083-F1129 WeakPolarHBondContact O-CA 3.29Å; E1084-F1129 HydrophobicContact CB-CD1 4.24Å; E1084-F1129 HydrophobicContact CB-CE1 3.96Å; E1084-F1129 HydrophobicContact CG-CE1 4.45Å; K1127-F1129 HydrophobicContact CB-CD2 4.45Å; K1127-F1129 HydrophobicContact CB-CE2 3.76Å; K1127-F1129 HydrophobicContact CB-CZ 4.14Å; K1127-F1129 HydrophobicContact CD-CZ 4.34Å; K1127-F1129 VanDerWaalsContact O-CD2 3.31Å; K1127-F1129 WeakPolarHBondContact O-CD2 3.25Å |
| 1130 | A | 81 | Confident | 63.5 | Low | 15 Ų | 15 | 83 Ų | 83 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1082 V1083 V1085 V1203 | M1082-A1130 CarbonylContact C-O 3.47Å; M1082-A1130 VanDerWaalsContact CA-O 3.31Å; M1082-A1130 WeakPolarHBondContact CA-O 3.5Å; V1083-A1130 HydrophobicContact CG2-CB 4.09Å; V1083-A1130 WeakPolarHBondContact CG2-O 3.44Å; V1083-A1130 PolarHBondContact N-O 2.99Å; V1083-A1130 PolarHBondContact O-N 3.01Å; V1085-A1130 HydrophobicContact CG2-CB 3.73Å; A1130-V1203 HydrophobicContact CB-CG1 3.5Å |
| 1131 | N | 85.4 | Confident | 64.7 | Low | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 101.2 | 174.7 | -176.6 | 10.3 | 0 | 0 | 0 | 110.4 | S1080 L1081 M1082 G1133 N1135 | S1080-N1131 WeakPolarHBondContact CA-OD1 3.41Å; L1081-N1131 PolarHBondContact N-OD1 2.99Å; L1081-N1131 WeakPolarHBondContact O-CA 3.47Å; L1081-N1131 PolarHBondContact O-OD1 2.68Å; M1082-N1131 HydrophobicContact CE-CB 4.3Å; M1082-N1131 HydrophobicContact SD-CB 3.68Å; N1131-G1133 VanDerWaalsContact C-N 3.33Å; N1131-G1133 PolarHBondContact OD1-N 2.84Å; N1131-N1135 PolarHBondContact ND2-ND2 2.96Å; N1131-N1135 VanDerWaalsContact ND2-ND2 3.2Å; N1131-N1135 PolarHBondContact ND2-OD1 2.76Å |
| 1132 | I | 87.4 | Confident | 66.3 | Low | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -91.9 | 7.4 | 175.8 | 61.3 | 158.9 | 0 | 0 | 0 | 113 | L1081 V1083 V1178 L1198 I1206 I1210 | L1081-I1132 HydrophobicContact CB-CG1 4.21Å; L1081-I1132 HydrophobicContact CD2-CD1 3.83Å; L1081-I1132 HydrophobicContact CD2-CG1 3.92Å; L1081-I1132 HydrophobicContact CG-CD1 4.21Å; L1081-I1132 HydrophobicContact CG-CG1 3.88Å; L1081-I1132 WeakPolarHBondContact O-CG1 3.48Å; L1081-I1132 PolarHBondContact O-N 3.03Å; V1083-I1132 HydrophobicContact CG1-CD1 3.6Å; V1083-I1132 HydrophobicContact CG1-CG1 3.79Å; V1083-I1132 HydrophobicContact CG2-CG1 4.2Å; V1083-I1132 HydrophobicContact CG2-CG2 3.92Å; I1132-V1178 HydrophobicContact CD1-CG1 3.64Å; I1132-L1198 HydrophobicContact CD1-CD1 4.05Å; I1132-I1206 HydrophobicContact CB-CG2 3.87Å; I1132-I1206 HydrophobicContact CG2-CB 4.41Å; I1132-I1206 HydrophobicContact CG2-CG2 3.71Å; I1132-I1210 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1133 | G | 84.7 | Confident | 68.2 | Low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.8 | 149.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1079 N1131 N1135 | G1079-G1133 CarbonylContact O-C 3.6Å; G1079-G1133 VanDerWaalsContact O-CA 3.29Å; G1079-G1133 WeakPolarHBondContact O-CA 3.22Å; N1131-G1133 VanDerWaalsContact C-N 3.33Å; N1131-G1133 PolarHBondContact OD1-N 2.84Å; G1133-N1135 VanDerWaalsContact C-N 3.25Å; G1133-N1135 PolarHBondContact O-N 3.25Å; G1133-N1135 PolarHBondContact O-ND2 3.13Å |
| 1134 | L | 86.5 | Confident | 70.6 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -73.2 | -17.3 | 179.5 | -58.1 | 176.9 | 0 | 0 | 0 | 112.6 | F1077 G1079 L1136 L1167 L1168 I1210 | F1077-L1134 WeakPolarHBondContact O-CB 3.32Å; F1077-L1134 WeakPolarHBondContact O-CG 3.35Å; F1077-L1134 PolarHBondContact O-N 2.89Å; G1079-L1134 PolarHBondContact O-N 2.97Å; L1134-L1136 VanDerWaalsContact C-N 3.25Å; L1134-L1136 HydrophobicContact CB-CD1 4.07Å; L1134-L1136 HydrophobicContact CB-CD2 4.3Å; L1134-L1136 HydrophobicContact CB-CG 3.73Å; L1134-L1136 HydrophobicContact CD1-CD1 4.04Å; L1134-L1136 PolarHBondContact O-N 2.79Å; L1134-L1167 HydrophobicContact CD1-CD2 4.01Å; L1134-L1167 HydrophobicContact CD1-CG 4.25Å; L1134-L1167 HydrophobicContact CD2-CD2 4.11Å; L1134-L1168 HydrophobicContact CD1-CD2 3.87Å; L1134-L1168 HydrophobicContact CD1-CG 4.43Å; L1134-I1210 HydrophobicContact CD2-CD1 4.43Å; L1134-I1210 HydrophobicContact CD2-CG1 4.07Å; L1134-I1210 HydrophobicContact CD2-CG2 3.97Å | ||
| 1135 | N | 85.3 | Confident | 73.2 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | 54.9 | 34.1 | -179.6 | -51.9 | -75.2 | 0 | 0 | 0 | 114.6 | T1078 G1079 S1080 N1131 G1133 R1138 | T1078-N1135 CarbonylContact O-C 3.58Å; G1079-N1135 WeakPolarHBondContact O-CA 3.45Å; G1079-N1135 PolarHBondContact O-N 2.94Å; S1080-N1135 WeakPolarHBondContact CA-OD1 3.38Å; S1080-N1135 WeakPolarHBondContact CB-OD1 3.32Å; S1080-N1135 PolarHBondContact OG-OD1 2.81Å; N1131-N1135 PolarHBondContact ND2-ND2 2.96Å; N1131-N1135 VanDerWaalsContact ND2-ND2 3.2Å; N1131-N1135 PolarHBondContact ND2-OD1 2.76Å; G1133-N1135 VanDerWaalsContact C-N 3.25Å; G1133-N1135 PolarHBondContact O-N 3.25Å; G1133-N1135 PolarHBondContact O-ND2 3.13Å; N1135-R1138 WeakPolarHBondContact O-CG 3.18Å | ||
| 1136 | L | 86.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -73.7 | -34.3 | 179.2 | -56.4 | 179.6 | 0 | 0 | 0 | 112.7 | T1078 L1134 V1145 W1148 S1149 F1160 T1164 C1215 | T1078-L1136 PolarHBondContact O-N 3.4Å; L1134-L1136 VanDerWaalsContact C-N 3.25Å; L1134-L1136 HydrophobicContact CB-CD1 4.07Å; L1134-L1136 HydrophobicContact CB-CD2 4.3Å; L1134-L1136 HydrophobicContact CB-CG 3.73Å; L1134-L1136 HydrophobicContact CD1-CD1 4.04Å; L1134-L1136 PolarHBondContact O-N 2.79Å; L1136-V1145 HydrophobicContact CD2-CB 4.36Å; L1136-V1145 HydrophobicContact CD2-CG1 4.27Å; L1136-V1145 HydrophobicContact CD2-CG2 4.5Å; L1136-W1148 HydrophobicContact CD2-CB 3.96Å; L1136-W1148 HydrophobicContact CD2-CG 4.34Å; L1136-S1149 WeakPolarHBondContact O-CB 3.44Å; L1136-S1149 PolarHBondContact O-OG 2.74Å; L1136-F1160 HydrophobicContact CB-CD1 4.46Å; L1136-F1160 HydrophobicContact CB-CE1 3.96Å; L1136-T1164 HydrophobicContact CD1-CG2 3.49Å; L1136-T1164 VanDerWaalsContact CD1-CG2 3.49Å; L1136-T1164 WeakPolarHBondContact CD1-OG1 3.36Å; L1136-C1215 HydrophobicContact CD2-CB 3.82Å | ||
| 1137 | K | 81.5 | Confident | 77.7 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121 | 165.6 | 52.3 | 168.9 | -177.1 | 173.4 | 0 | 109.6 | N1075 T1078 W1158 F1160 | N1075-K1137 WeakPolarHBondContact O-CE 3.36Å; N1075-K1137 PolarHBondContact O-NZ 2.71Å; N1075-K1137 PolarHBondContact OD1-NZ 3.18Å; T1078-K1137 WeakPolarHBondContact O-CG 3.35Å; T1078-K1137 PolarHBondContact O-N 2.81Å; T1078-K1137 WeakPolarHBondContact OG1-CE 3.45Å; K1137-W1158 HydrophobicContact CB-CD2 3.67Å; K1137-W1158 HydrophobicContact CB-CE3 4.21Å; K1137-W1158 HydrophobicContact CB-CG 3.98Å; K1137-W1158 HydrophobicContact CB-CZ2 4.05Å; K1137-F1160 HydrophobicContact CB-CZ 4.39Å; K1137-F1160 HydrophobicContact CG-CZ 4.46Å |
| 1138 | R | 72.6 | Confident | 79.3 | Confident | 95 Ų | 95 | 42 Ų | 42 | 36% | 0.358 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 56.3 | -176.3 | -47.8 | 174.6 | 61.1 | 105.5 | -3.8 | 111.8 | N1135 R1140 S1141 G1142 A1143 | N1135-R1138 WeakPolarHBondContact O-CG 3.18Å; R1138-R1140 VanDerWaalsContact C-N 3.25Å; R1138-R1140 PolarHBondContact O-N 2.86Å; R1138-R1140 VanDerWaalsContact O-N 3.16Å; R1138-S1141 WeakPolarHBondContact CB-OG 3.47Å; R1138-S1141 PolarHBondContact NE-OG 2.9Å; R1138-S1141 CarbonylContact O-C 3.53Å; R1138-S1141 PolarHBondContact O-N 3.33Å; R1138-S1141 PolarHBondContact O-OG 3.43Å; R1138-G1142 PolarHBondContact O-N 3.49Å; R1138-G1142 VanDerWaalsContact O-N 3.12Å; R1138-A1143 HydrophobicContact CB-CB 4.3Å; R1138-A1143 VanDerWaalsContact CB-O 3.28Å; R1138-A1143 WeakPolarHBondContact CB-O 3.37Å; R1138-A1143 PolarHBondContact N-O 2.95Å; R1138-A1143 PolarHBondContact O-N 2.81Å |
| 1139 | N | 70 | Confident | 80.2 | Confident | 107 Ų | 107 | 40.2 Ų | 40.2 | 57% | 0.572 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -43.9 | -50.2 | 179.1 | -63.9 | 23.3 | 0 | 0 | 0 | 112.3 | S1141 G1142 W1158 | N1139-S1141 PolarHBondContact O-N 3.2Å; N1139-S1141 VanDerWaalsContact O-N 3.11Å; N1139-G1142 PolarHBondContact O-N 3.39Å; N1139-G1142 VanDerWaalsContact O-N 3.08Å; N1139-W1158 PolarHBondContact OD1-NE1 2.88Å |
| 1140 | R | 63.5 | Low | 80.5 | Confident | 234 Ų | 234 | 37.4 Ų | 37.4 | 88% | 0.883 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -60.5 | -18.3 | -179.7 | -75.8 | -173.7 | 175.8 | 176.3 | -2 | 115.6 | R1138 | R1138-R1140 VanDerWaalsContact C-N 3.25Å; R1138-R1140 PolarHBondContact O-N 2.86Å; R1138-R1140 VanDerWaalsContact O-N 3.16Å |
| 1141 | S | 60.1 | Low | 80.6 | Confident | 66 Ų | 66 | 38.2 Ų | 38.2 | 46% | 0.462 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -119.3 | 12.9 | 177.4 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | R1138 N1139 A1143 | R1138-S1141 WeakPolarHBondContact CB-OG 3.47Å; R1138-S1141 PolarHBondContact NE-OG 2.9Å; R1138-S1141 CarbonylContact O-C 3.53Å; R1138-S1141 PolarHBondContact O-N 3.33Å; R1138-S1141 PolarHBondContact O-OG 3.43Å; N1139-S1141 PolarHBondContact O-N 3.2Å; N1139-S1141 VanDerWaalsContact O-N 3.11Å; S1141-A1143 PolarHBondContact O-N 2.91Å; S1141-A1143 VanDerWaalsContact O-N 3.12Å |
| 1142 | G | 68.9 | Low | 80.3 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1138 N1139 Q1223 | R1138-G1142 PolarHBondContact O-N 3.49Å; R1138-G1142 VanDerWaalsContact O-N 3.12Å; N1139-G1142 PolarHBondContact O-N 3.39Å; N1139-G1142 VanDerWaalsContact O-N 3.08Å; G1142-Q1223 WeakPolarHBondContact O-CB 3.24Å; G1142-Q1223 PolarHBondContact O-N 3.3Å |
| 1143 | A | 73.9 | Confident | 79.3 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1138 S1141 W1158 V1220 L1221 | R1138-A1143 HydrophobicContact CB-CB 4.3Å; R1138-A1143 VanDerWaalsContact CB-O 3.28Å; R1138-A1143 WeakPolarHBondContact CB-O 3.37Å; R1138-A1143 PolarHBondContact N-O 2.95Å; R1138-A1143 PolarHBondContact O-N 2.81Å; S1141-A1143 PolarHBondContact O-N 2.91Å; S1141-A1143 VanDerWaalsContact O-N 3.12Å; A1143-W1158 VanDerWaalsContact O-CH2 3.26Å; A1143-W1158 WeakPolarHBondContact O-CH2 3.21Å; A1143-V1220 HydrophobicContact CB-CG1 3.66Å; A1143-L1221 CarbonylContact C-O 3.58Å; A1143-L1221 VanDerWaalsContact CA-O 3.26Å; A1143-L1221 WeakPolarHBondContact CA-O 3.28Å; A1143-L1221 WeakPolarHBondContact CB-O 3.33Å |
| 1144 | Q | 85.2 | Confident | 78.4 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.023 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 161.2 | 173.3 | 60.2 | -172.2 | -19 | 0 | 0 | 110.6 | R1150 W1158 V1220 L1221 P1222 G1225 | Q1144-R1150 VanDerWaalsContact OE1-CA 3.32Å; Q1144-W1158 HydrophobicContact CB-CH2 4.14Å; Q1144-W1158 HydrophobicContact CB-CZ3 3.84Å; Q1144-V1220 WeakPolarHBondContact O-CA 3.4Å; Q1144-L1221 WeakPolarHBondContact CG-O 3.39Å; Q1144-L1221 PolarHBondContact N-O 3.03Å; Q1144-L1221 PolarHBondContact O-N 3.26Å; Q1144-P1222 PolarHBondContact NE2-O 3.46Å; Q1144-G1225 PolarHBondContact NE2-O 3.44Å |
| 1145 | V | 86.8 | Confident | 77.5 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 107.7 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | L1136 G1147 W1148 S1149 A1218 V1220 | L1136-V1145 HydrophobicContact CD2-CB 4.36Å; L1136-V1145 HydrophobicContact CD2-CG1 4.27Å; L1136-V1145 HydrophobicContact CD2-CG2 4.5Å; V1145-G1147 PolarHBondContact O-N 2.8Å; V1145-W1148 HydrophobicContact CB-CB 4.28Å; V1145-W1148 HydrophobicContact CG1-CB 4.11Å; V1145-W1148 HydrophobicContact CG1-CG 4.24Å; V1145-W1148 WeakPolarHBondContact O-CB 3.21Å; V1145-W1148 PolarHBondContact O-N 2.89Å; V1145-S1149 PolarHBondContact N-OG 1.91Å; V1145-S1149 PolarHBondContact O-N 2.86Å; V1145-A1218 HydrophobicContact CG1-CB 3.72Å; V1145-V1220 HydrophobicContact CG2-CG2 4.36Å |
| 1146 | L | 85.5 | Confident | 77.1 | Confident | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 132.3 | -164.8 | -170.9 | 65.6 | 0 | 0 | 0 | 112.1 | W1148 P1219 L1221 D1229 R1360 | L1146-W1148 PolarHBondContact O-N 3.19Å; L1146-P1219 HydrophobicContact CB-CB 4.24Å; L1146-P1219 PolarHBondContact N-O 2.56Å; L1146-L1221 HydrophobicContact CB-CD1 4.22Å; L1146-L1221 HydrophobicContact CD2-CD1 3.85Å; L1146-L1221 HydrophobicContact CG-CD1 4.44Å; L1146-D1229 HydrophobicContact CD2-CB 4.17Å; L1146-D1229 HydrophobicContact CG-CB 4.16Å; L1146-R1360 VanDerWaalsContact CD2-CD 3.43Å |
| 1147 | G | 83.2 | Confident | 76.9 | Confident | 8 Ų | 8 | 58 Ų | 58 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -8.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1145 S1161 R1163 | V1145-G1147 PolarHBondContact O-N 2.8Å; G1147-S1161 WeakPolarHBondContact O-CB 3.44Å; G1147-S1161 PolarHBondContact O-OG 3.02Å; G1147-R1163 WeakPolarHBondContact O-CD 3.44Å |
| 1148 | W | 89.1 | Confident | 77.1 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -45.4 | -178.4 | -65.2 | 86 | 0 | 0 | 0 | 112.9 | L1136 V1145 L1146 F1160 S1161 R1163 T1164 L1167 E1214 C1215 | L1136-W1148 HydrophobicContact CD2-CB 3.96Å; L1136-W1148 HydrophobicContact CD2-CG 4.34Å; V1145-W1148 HydrophobicContact CB-CB 4.28Å; V1145-W1148 HydrophobicContact CG1-CB 4.11Å; V1145-W1148 HydrophobicContact CG1-CG 4.24Å; V1145-W1148 WeakPolarHBondContact O-CB 3.21Å; V1145-W1148 PolarHBondContact O-N 2.89Å; L1146-W1148 PolarHBondContact O-N 3.19Å; W1148-F1160 WeakPolarHBondContact O-CA 3.2Å; W1148-S1161 WeakPolarHBondContact CA-OG 3.35Å; W1148-S1161 PolarHBondContact O-N 2.93Å; W1148-S1161 PolarHBondContact O-OG 3.09Å; W1148-R1163 HydrophobicContact CD2-CB 4.26Å; W1148-R1163 HydrophobicContact CE3-CB 3.92Å; W1148-R1163 HydrophobicContact CH2-CB 4.04Å; W1148-R1163 HydrophobicContact CZ2-CB 4.36Å; W1148-R1163 VanDerWaalsContact CZ3-C 3.49Å; W1148-R1163 HydrophobicContact CZ3-CB 3.81Å; W1148-R1163 VanDerWaalsContact CZ3-O 3.24Å; W1148-R1163 WeakPolarHBondContact CZ3-O 3.04Å; W1148-T1164 PolarHBondContact O-OG1 3.23Å; W1148-L1167 HydrophobicContact CE3-CD2 4.25Å; W1148-L1167 HydrophobicContact CH2-CB 4.38Å; W1148-L1167 HydrophobicContact CH2-CD2 3.95Å; W1148-L1167 HydrophobicContact CZ3-CB 3.75Å; W1148-L1167 HydrophobicContact CZ3-CD2 3.48Å; W1148-L1167 VanDerWaalsContact CZ3-CD2 3.48Å; W1148-L1167 HydrophobicContact CZ3-CG 4.25Å; W1148-E1214 HydrophobicContact CZ2-CB 4.16Å; W1148-C1215 HydrophobicContact CD2-CB 3.54Å; W1148-C1215 HydrophobicContact CE3-CB 3.79Å; W1148-C1215 HydrophobicContact CG-CB 4.08Å; W1148-C1215 HydrophobicContact CH2-CB 4.08Å; W1148-C1215 HydrophobicContact CZ2-CB 3.84Å; W1148-C1215 HydrophobicContact CZ3-CB 4.05Å |
| 1149 | S | 88.7 | Confident | 77.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.8 | 178.7 | 68.9 | 0 | 0 | 0 | 0 | 111.7 | L1136 V1145 L1159 | L1136-S1149 WeakPolarHBondContact O-CB 3.44Å; L1136-S1149 PolarHBondContact O-OG 2.74Å; V1145-S1149 PolarHBondContact N-OG 1.91Å; V1145-S1149 PolarHBondContact O-N 2.86Å; S1149-L1159 CarbonylContact C-O 3.56Å; S1149-L1159 VanDerWaalsContact CA-O 3.29Å; S1149-L1159 WeakPolarHBondContact CA-O 3.33Å |
| 1150 | R | 85.1 | Confident | 78.9 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.7 | 172 | -171.3 | 178.3 | -171.2 | -177.9 | 7.4 | 108.7 | E1053 F1057 Q1144 L1159 | E1053-R1150 VanDerWaalsContact CD-NH1 3.32Å; E1053-R1150 IonicContact OE1-NH2 2.69Å; E1053-R1150 IonicContact OE2-CZ 2.71Å; E1053-R1150 IonicContact OE2-NH1 3.66Å; E1053-R1150 PolarHBondContact OE2-NH1 2.36Å; E1053-R1150 IonicContact OE2-NH2 3.13Å; E1053-R1150 PolarHBondContact OE2-NH2 3.06Å; F1057-R1150 HydrophobicContact CD1-CB 4.08Å; F1057-R1150 HydrophobicContact CE1-CB 3.75Å; F1057-R1150 HydrophobicContact CZ-CB 4.19Å; Q1144-R1150 VanDerWaalsContact OE1-CA 3.32Å; R1150-L1159 HydrophobicContact CB-CB 4.43Å; R1150-L1159 PolarHBondContact N-O 2.86Å; R1150-L1159 WeakPolarHBondContact O-CA 3.38Å; R1150-L1159 PolarHBondContact O-N 3.24Å; R1150-L1159 VanDerWaalsContact O-O 3.1Å |
| 1151 | F | 82.5 | Confident | 80.1 | Confident | 31 Ų | 31 | 37.9 Ų | 37.9 | 14% | 0.136 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.4 | 171.8 | -174.9 | -97.8 | 0 | 0 | 0 | 110.9 | T1153 H1156 T1157 W1158 Q1223 | F1151-T1153 HydrophobicContact CD1-CG2 4.29Å; F1151-T1153 PolarHBondContact O-N 2.78Å; F1151-T1153 VanDerWaalsContact O-N 3.17Å; F1151-H1156 HydrophobicContact CZ-CB 4.24Å; F1151-T1157 WeakPolarHBondContact CD2-O 3.31Å; F1151-W1158 HydrophobicContact CB-CE3 4.24Å; F1151-W1158 HydrophobicContact CB-CH2 4.24Å; F1151-W1158 HydrophobicContact CB-CZ3 4.1Å; F1151-W1158 AromaticContact CD2-CD2 3.99Å; F1151-W1158 HydrophobicContact CD2-CD2 3.99Å; F1151-W1158 AromaticContact CD2-CE2 3.85Å; F1151-W1158 HydrophobicContact CD2-CG 4.18Å; F1151-W1158 HydrophobicContact CD2-CZ2 4.25Å; F1151-Q1223 HydrophobicContact CB-CG 3.33Å; F1151-Q1223 HydrophobicContact CD1-CG 3.92Å; F1151-Q1223 VanDerWaalsContact CD1-NE2 3.33Å; F1151-Q1223 HydrophobicContact CD2-CG 4.29Å; F1151-Q1223 VanDerWaalsContact CD2-NE2 3.27Å; F1151-Q1223 HydrophobicContact CG-CG 3.61Å |
| 1152 | C | 78.8 | Confident | 81.5 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 99.9 | 173.4 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | V1154 R1155 H1156 T1157 L1159 | C1152-V1154 VanDerWaalsContact C-N 3.32Å; C1152-V1154 PolarHBondContact O-N 2.71Å; C1152-R1155 HydrophobicContact CB-CB 4.27Å; C1152-R1155 CarbonylContact O-C 3.49Å; C1152-R1155 PolarHBondContact O-N 3.29Å; C1152-H1156 WeakPolarHBondContact O-CA 3.47Å; C1152-H1156 PolarHBondContact O-N 3.33Å; C1152-T1157 HydrophobicContact CB-CG2 4.36Å; C1152-T1157 PolarHBondContact N-O 3.42Å; C1152-T1157 PolarHBondContact O-N 3Å; C1152-L1159 HydrophobicContact CB-CD1 3.99Å; C1152-L1159 HydrophobicContact CB-CG 4.12Å |
| 1153 | T | 66.9 | Low | 82.5 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 37% | 0.368 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -53.8 | -47.1 | 177.1 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | F1151 R1155 H1156 K1224 | F1151-T1153 HydrophobicContact CD1-CG2 4.29Å; F1151-T1153 PolarHBondContact O-N 2.78Å; F1151-T1153 VanDerWaalsContact O-N 3.17Å; T1153-R1155 VanDerWaalsContact C-N 3.29Å; T1153-R1155 PolarHBondContact O-N 2.9Å; T1153-H1156 PolarHBondContact O-CD2 2.91Å; T1153-H1156 PolarHBondContact O-N 3.49Å; T1153-H1156 PolarHBondContact O-NE2 3.24Å; T1153-K1224 HydrophobicContact CG2-CB 4.4Å; T1153-K1224 HydrophobicContact CG2-CG 4.05Å |
| 1154 | V | 65.7 | Low | 83.3 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 50% | 0.497 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -66 | -24.9 | -177.9 | 177 | 0 | 0 | 0 | 0 | 113.7 | C1152 | C1152-V1154 VanDerWaalsContact C-N 3.32Å; C1152-V1154 PolarHBondContact O-N 2.71Å |
| 1155 | R | 68.3 | Low | 83.6 | Confident | 125 Ų | 125 | 39 Ų | 39 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -108.9 | 5.4 | 176.6 | -61.7 | -174 | -169.7 | 177.6 | 8.9 | 113.5 | C1152 T1153 T1157 W1405 T1407 | C1152-R1155 HydrophobicContact CB-CB 4.27Å; C1152-R1155 CarbonylContact O-C 3.49Å; C1152-R1155 PolarHBondContact O-N 3.29Å; T1153-R1155 VanDerWaalsContact C-N 3.29Å; T1153-R1155 PolarHBondContact O-N 2.9Å; R1155-T1157 HydrophobicContact CB-CG2 3.88Å; R1155-T1157 PolarHBondContact O-N 3.23Å; R1155-W1405 PolarHBondContact NH2-O 2.98Å; R1155-T1407 PolarHBondContact NH2-OG1 3.4Å |
| 1156 | H | 75.2 | Confident | 83.8 | Confident | 157 Ų | 157 | 42 Ų | 42 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.9 | 37.1 | -173.6 | -72.3 | -99.9 | 0 | 0 | 0 | 114.8 | F1151 C1152 T1153 | F1151-H1156 HydrophobicContact CZ-CB 4.24Å; C1152-H1156 WeakPolarHBondContact O-CA 3.47Å; C1152-H1156 PolarHBondContact O-N 3.33Å; T1153-H1156 PolarHBondContact O-CD2 2.91Å; T1153-H1156 PolarHBondContact O-N 3.49Å; T1153-H1156 PolarHBondContact O-NE2 3.24Å |
| 1157 | T | 82.5 | Confident | 84.2 | Confident | 44 Ų | 44 | 41.5 Ų | 41.5 | 27% | 0.27 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155.4 | -171.7 | -161.3 | 0 | 0 | 0 | 0 | 112.9 | F1151 C1152 R1155 | F1151-T1157 WeakPolarHBondContact CD2-O 3.31Å; C1152-T1157 HydrophobicContact CB-CG2 4.36Å; C1152-T1157 PolarHBondContact N-O 3.42Å; C1152-T1157 PolarHBondContact O-N 3Å; R1155-T1157 HydrophobicContact CB-CG2 3.88Å; R1155-T1157 PolarHBondContact O-N 3.23Å |
| 1158 | W | 86.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 142.8 | 174.3 | -75.3 | 97.8 | 0 | 0 | 0 | 111.2 | N1060 K1137 N1139 A1143 Q1144 F1151 F1160 Q1223 | N1060-W1158 WeakPolarHBondContact OD1-CB 3.33Å; N1060-W1158 PolarHBondContact OD1-O 3.26Å; K1137-W1158 HydrophobicContact CB-CD2 3.67Å; K1137-W1158 HydrophobicContact CB-CE3 4.21Å; K1137-W1158 HydrophobicContact CB-CG 3.98Å; K1137-W1158 HydrophobicContact CB-CZ2 4.05Å; N1139-W1158 PolarHBondContact OD1-NE1 2.88Å; A1143-W1158 VanDerWaalsContact O-CH2 3.26Å; A1143-W1158 WeakPolarHBondContact O-CH2 3.21Å; Q1144-W1158 HydrophobicContact CB-CH2 4.14Å; Q1144-W1158 HydrophobicContact CB-CZ3 3.84Å; F1151-W1158 HydrophobicContact CB-CE3 4.24Å; F1151-W1158 HydrophobicContact CB-CH2 4.24Å; F1151-W1158 HydrophobicContact CB-CZ3 4.1Å; F1151-W1158 AromaticContact CD2-CD2 3.99Å; F1151-W1158 HydrophobicContact CD2-CD2 3.99Å; F1151-W1158 AromaticContact CD2-CE2 3.85Å; F1151-W1158 HydrophobicContact CD2-CG 4.18Å; F1151-W1158 HydrophobicContact CD2-CZ2 4.25Å; W1158-F1160 HydrophobicContact CB-CE2 4.1Å; W1158-F1160 HydrophobicContact CB-CZ 4.06Å; W1158-Q1223 HydrophobicContact CH2-CG 3.92Å; W1158-Q1223 HydrophobicContact CZ2-CG 4.17Å |
| 1159 | L | 89.3 | Confident | 84.7 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.5 | 168.5 | -54.5 | 178.6 | 0 | 0 | 0 | 108.3 | F1057 Y1058 T1059 S1149 R1150 C1152 | F1057-L1159 HydrophobicContact CB-CB 4.14Å; F1057-L1159 HydrophobicContact CB-CD1 4.22Å; F1057-L1159 HydrophobicContact CD1-CB 4.02Å; F1057-L1159 HydrophobicContact CG-CB 4.48Å; Y1058-L1159 CarbonylContact O-C 3.58Å; Y1058-L1159 VanDerWaalsContact O-CA 3.25Å; Y1058-L1159 WeakPolarHBondContact O-CA 3.39Å; T1059-L1159 HydrophobicContact CG2-CD2 3.73Å; S1149-L1159 CarbonylContact C-O 3.56Å; S1149-L1159 VanDerWaalsContact CA-O 3.29Å; S1149-L1159 WeakPolarHBondContact CA-O 3.33Å; R1150-L1159 HydrophobicContact CB-CB 4.43Å; R1150-L1159 PolarHBondContact N-O 2.86Å; R1150-L1159 WeakPolarHBondContact O-CA 3.38Å; R1150-L1159 PolarHBondContact O-N 3.24Å; R1150-L1159 VanDerWaalsContact O-O 3.1Å; C1152-L1159 HydrophobicContact CB-CD1 3.99Å; C1152-L1159 HydrophobicContact CB-CG 4.12Å |
| 1160 | F | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.8 | 178 | -62 | -71.1 | 0 | 0 | 0 | 109.8 | Y1058 N1060 V1063 T1078 L1136 K1137 W1148 W1158 T1164 | Y1058-F1160 WeakPolarHBondContact CD2-O 3.4Å; Y1058-F1160 PolarHBondContact N-O 3Å; Y1058-F1160 PolarHBondContact O-N 3.26Å; N1060-F1160 WeakPolarHBondContact OD1-CE2 3.42Å; V1063-F1160 HydrophobicContact CG2-CB 4.11Å; V1063-F1160 HydrophobicContact CG2-CD2 4.32Å; T1078-F1160 HydrophobicContact CG2-CD1 4.26Å; T1078-F1160 HydrophobicContact CG2-CD2 4.38Å; T1078-F1160 HydrophobicContact CG2-CE1 3.81Å; T1078-F1160 HydrophobicContact CG2-CE2 3.92Å; T1078-F1160 HydrophobicContact CG2-CZ 3.62Å; L1136-F1160 HydrophobicContact CB-CD1 4.46Å; L1136-F1160 HydrophobicContact CB-CE1 3.96Å; K1137-F1160 HydrophobicContact CB-CZ 4.39Å; K1137-F1160 HydrophobicContact CG-CZ 4.46Å; W1148-F1160 WeakPolarHBondContact O-CA 3.2Å; W1158-F1160 HydrophobicContact CB-CE2 4.1Å; W1158-F1160 HydrophobicContact CB-CZ 4.06Å; F1160-T1164 HydrophobicContact CB-CG2 3.82Å; F1160-T1164 HydrophobicContact CD1-CG2 3.88Å; F1160-T1164 HydrophobicContact CG-CG2 3.97Å |
| 1161 | S | 90 | Very high | 85.2 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 168 | 178.7 | 64.7 | 0 | 0 | 0 | 0 | 112.7 | N1056 G1147 W1148 R1163 T1164 V1165 | N1056-S1161 WeakPolarHBondContact O-CA 3.32Å; G1147-S1161 WeakPolarHBondContact O-CB 3.44Å; G1147-S1161 PolarHBondContact O-OG 3.02Å; W1148-S1161 WeakPolarHBondContact CA-OG 3.35Å; W1148-S1161 PolarHBondContact O-N 2.93Å; W1148-S1161 PolarHBondContact O-OG 3.09Å; S1161-R1163 PolarHBondContact O-N 3.48Å; S1161-R1163 VanDerWaalsContact O-N 3.13Å; S1161-T1164 WeakPolarHBondContact O-CB 3.28Å; S1161-T1164 PolarHBondContact O-N 3.34Å; S1161-V1165 PolarHBondContact O-N 2.99Å |
| 1162 | D | 89.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 32% | 0.316 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -51.8 | -33.3 | 171.2 | -65.6 | -79.2 | 0 | 0 | 0 | 112.8 | Y1058 T1164 V1165 D1166 | Y1058-D1162 VanDerWaalsContact CE2-CG 3.48Å; Y1058-D1162 WeakPolarHBondContact CE2-OD1 3.14Å; Y1058-D1162 WeakPolarHBondContact CE2-OD2 3.44Å; Y1058-D1162 PolarHBondContact OH-OD1 3.24Å; D1162-T1164 VanDerWaalsContact C-N 3.27Å; D1162-T1164 PolarHBondContact O-N 3.3Å; D1162-V1165 WeakPolarHBondContact O-CB 3.5Å; D1162-V1165 PolarHBondContact O-N 3.17Å; D1162-V1165 VanDerWaalsContact O-N 3.09Å; D1162-D1166 PolarHBondContact O-N 2.9Å |
| 1163 | R | 89.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 176 | -53.3 | -172.8 | -164.1 | -127.6 | -4.5 | 111.3 | G1147 W1148 S1161 L1167 E1231 | G1147-R1163 WeakPolarHBondContact O-CD 3.44Å; W1148-R1163 HydrophobicContact CD2-CB 4.26Å; W1148-R1163 HydrophobicContact CE3-CB 3.92Å; W1148-R1163 HydrophobicContact CH2-CB 4.04Å; W1148-R1163 HydrophobicContact CZ2-CB 4.36Å; W1148-R1163 VanDerWaalsContact CZ3-C 3.49Å; W1148-R1163 HydrophobicContact CZ3-CB 3.81Å; W1148-R1163 VanDerWaalsContact CZ3-O 3.24Å; W1148-R1163 WeakPolarHBondContact CZ3-O 3.04Å; S1161-R1163 PolarHBondContact O-N 3.48Å; S1161-R1163 VanDerWaalsContact O-N 3.13Å; R1163-L1167 WeakPolarHBondContact O-CB 3.36Å; R1163-L1167 PolarHBondContact O-N 3.35Å; R1163-E1231 IonicContact CZ-OE1 2.59Å; R1163-E1231 VanDerWaalsContact CZ-OE1 3.25Å; R1163-E1231 IonicContact CZ-OE2 3.25Å; R1163-E1231 IonicContact NH1-OE1 2.85Å; R1163-E1231 PolarHBondContact NH1-OE1 3.08Å; R1163-E1231 IonicContact NH2-OE1 3.9Å; R1163-E1231 PolarHBondContact NH2-OE1 3.19Å; R1163-E1231 IonicContact NH2-OE2 2.87Å; R1163-E1231 PolarHBondContact NH2-OE2 2.7Å |
| 1164 | T | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | T1078 L1136 W1148 F1160 S1161 D1162 L1167 L1168 | T1078-T1164 HydrophobicContact CG2-CG2 4.21Å; L1136-T1164 HydrophobicContact CD1-CG2 3.49Å; L1136-T1164 VanDerWaalsContact CD1-CG2 3.49Å; L1136-T1164 WeakPolarHBondContact CD1-OG1 3.36Å; W1148-T1164 PolarHBondContact O-OG1 3.23Å; F1160-T1164 HydrophobicContact CB-CG2 3.82Å; F1160-T1164 HydrophobicContact CD1-CG2 3.88Å; F1160-T1164 HydrophobicContact CG-CG2 3.97Å; S1161-T1164 WeakPolarHBondContact O-CB 3.28Å; S1161-T1164 PolarHBondContact O-N 3.34Å; D1162-T1164 VanDerWaalsContact C-N 3.27Å; D1162-T1164 PolarHBondContact O-N 3.3Å; T1164-L1167 PolarHBondContact O-N 3.38Å; T1164-L1168 HydrophobicContact CG2-CD1 4.03Å; T1164-L1168 WeakPolarHBondContact O-CB 3.5Å; T1164-L1168 VanDerWaalsContact O-CG 3.27Å; T1164-L1168 WeakPolarHBondContact O-CG 3.08Å; T1164-L1168 PolarHBondContact O-N 3.43Å |
| 1165 | V | 91.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | Y1058 V1063 Q1066 L1067 S1161 D1162 L1168 K1169 | Y1058-V1165 HydrophobicContact CD2-CG2 4.34Å; V1063-V1165 HydrophobicContact CG1-CG2 4.24Å; V1063-V1165 HydrophobicContact CG2-CG2 4.03Å; Q1066-V1165 HydrophobicContact CB-CG1 4.45Å; L1067-V1165 HydrophobicContact CD2-CG1 4.29Å; S1161-V1165 PolarHBondContact O-N 2.99Å; D1162-V1165 WeakPolarHBondContact O-CB 3.5Å; D1162-V1165 PolarHBondContact O-N 3.17Å; D1162-V1165 VanDerWaalsContact O-N 3.09Å; V1165-L1168 PolarHBondContact O-N 2.68Å; V1165-K1169 WeakPolarHBondContact O-CG 3.27Å; V1165-K1169 PolarHBondContact O-N 3.34Å |
| 1166 | D | 91.2 | Very high | 89.6 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 36% | 0.358 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.6 | -31.5 | -179.4 | -79.9 | -2.3 | 0 | 0 | 0 | 113.6 | D1162 K1169 K1170 | D1162-D1166 PolarHBondContact O-N 2.9Å; D1166-K1169 PolarHBondContact O-N 2.92Å; D1166-K1169 IonicContact OD1-NZ 2.69Å; D1166-K1169 PolarHBondContact OD1-NZ 2.97Å; D1166-K1170 WeakPolarHBondContact O-CB 3.42Å; D1166-K1170 WeakPolarHBondContact O-CD 3.49Å; D1166-K1170 VanDerWaalsContact O-CG 3.25Å; D1166-K1170 WeakPolarHBondContact O-CG 3.43Å; D1166-K1170 PolarHBondContact O-N 3.43Å |
| 1167 | L | 92.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -37.3 | 170.7 | 179.5 | 58.6 | 0 | 0 | 0 | 111.5 | L1134 W1148 R1163 T1164 K1170 F1171 F1209 C1215 | L1134-L1167 HydrophobicContact CD1-CD2 4.01Å; L1134-L1167 HydrophobicContact CD1-CG 4.25Å; L1134-L1167 HydrophobicContact CD2-CD2 4.11Å; W1148-L1167 HydrophobicContact CE3-CD2 4.25Å; W1148-L1167 HydrophobicContact CH2-CB 4.38Å; W1148-L1167 HydrophobicContact CH2-CD2 3.95Å; W1148-L1167 HydrophobicContact CZ3-CB 3.75Å; W1148-L1167 HydrophobicContact CZ3-CD2 3.48Å; W1148-L1167 VanDerWaalsContact CZ3-CD2 3.48Å; W1148-L1167 HydrophobicContact CZ3-CG 4.25Å; R1163-L1167 WeakPolarHBondContact O-CB 3.36Å; R1163-L1167 PolarHBondContact O-N 3.35Å; T1164-L1167 PolarHBondContact O-N 3.38Å; L1167-K1170 PolarHBondContact O-N 2.86Å; L1167-F1171 WeakPolarHBondContact O-CB 3.47Å; L1167-F1171 PolarHBondContact O-N 3.45Å; L1167-F1209 HydrophobicContact CD1-CE1 3.75Å; L1167-F1209 HydrophobicContact CD1-CZ 3.84Å; L1167-C1215 HydrophobicContact CD2-CB 4.19Å |
| 1168 | L | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 174.5 | -71.3 | 170 | 0 | 0 | 0 | 111.9 | V1063 L1067 V1074 F1077 T1078 L1134 T1164 V1165 F1171 S1172 W1179 | V1063-L1168 HydrophobicContact CG1-CD1 4.05Å; L1067-L1168 HydrophobicContact CD1-CB 3.73Å; L1067-L1168 HydrophobicContact CD1-CD1 3.81Å; L1067-L1168 HydrophobicContact CD1-CG 4.4Å; L1067-L1168 HydrophobicContact CD2-CB 4.41Å; V1074-L1168 HydrophobicContact CG1-CD1 4.43Å; F1077-L1168 HydrophobicContact CB-CD2 3.59Å; F1077-L1168 HydrophobicContact CG-CD2 4.41Å; T1078-L1168 HydrophobicContact CG2-CD1 4.15Å; L1134-L1168 HydrophobicContact CD1-CD2 3.87Å; L1134-L1168 HydrophobicContact CD1-CG 4.43Å; T1164-L1168 HydrophobicContact CG2-CD1 4.03Å; T1164-L1168 WeakPolarHBondContact O-CB 3.5Å; T1164-L1168 VanDerWaalsContact O-CG 3.27Å; T1164-L1168 WeakPolarHBondContact O-CG 3.08Å; T1164-L1168 PolarHBondContact O-N 3.43Å; V1165-L1168 PolarHBondContact O-N 2.68Å; L1168-F1171 PolarHBondContact O-N 3.14Å; L1168-S1172 PolarHBondContact O-N 3.36Å; L1168-S1172 PolarHBondContact O-OG 3.1Å; L1168-W1179 HydrophobicContact CB-CH2 4.26Å; L1168-W1179 HydrophobicContact CD2-CH2 4.18Å; L1168-W1179 HydrophobicContact CD2-CZ3 4.28Å |
| 1169 | K | 91.7 | Very high | 90.5 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.7 | -56.4 | 170.1 | -66.3 | 172.5 | -166.6 | 148.3 | 0 | 110.7 | L1067 V1165 D1166 F1171 S1172 E1173 | L1067-K1169 HydrophobicContact CD2-CG 3.52Å; V1165-K1169 WeakPolarHBondContact O-CG 3.27Å; V1165-K1169 PolarHBondContact O-N 3.34Å; D1166-K1169 PolarHBondContact O-N 2.92Å; D1166-K1169 IonicContact OD1-NZ 2.69Å; D1166-K1169 PolarHBondContact OD1-NZ 2.97Å; K1169-F1171 VanDerWaalsContact C-N 3.26Å; K1169-F1171 PolarHBondContact O-N 2.65Å; K1169-S1172 PolarHBondContact O-N 2.83Å; K1169-S1172 PolarHBondContact O-OG 2.95Å; K1169-E1173 WeakPolarHBondContact O-CG 3.33Å; K1169-E1173 PolarHBondContact O-N 3.43Å |
| 1170 | K | 91.7 | Very high | 90.4 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -35 | -180 | -70.3 | 164.6 | -173.6 | 167.3 | 0 | 112.9 | D1166 L1167 K1174 F1209 | D1166-K1170 WeakPolarHBondContact O-CB 3.42Å; D1166-K1170 WeakPolarHBondContact O-CD 3.49Å; D1166-K1170 VanDerWaalsContact O-CG 3.25Å; D1166-K1170 WeakPolarHBondContact O-CG 3.43Å; D1166-K1170 PolarHBondContact O-N 3.43Å; L1167-K1170 PolarHBondContact O-N 2.86Å; K1170-K1174 WeakPolarHBondContact O-CB 3.42Å; K1170-K1174 PolarHBondContact O-N 3.08Å; K1170-F1209 HydrophobicContact CB-CZ 4.09Å |
| 1171 | F | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 173.2 | -168.5 | -72.5 | 0 | 0 | 0 | 111.4 | F1077 L1167 L1168 K1169 E1173 K1174 F1175 V1178 W1179 I1206 F1209 I1210 | F1077-F1171 HydrophobicContact CD1-CD1 4.38Å; F1077-F1171 HydrophobicContact CD1-CE1 4.07Å; F1077-F1171 HydrophobicContact CD1-CZ 4.31Å; F1077-F1171 AromaticContact CE1-CD1 3.99Å; F1077-F1171 HydrophobicContact CE1-CD1 3.99Å; F1077-F1171 AromaticContact CE1-CE1 3.38Å; F1077-F1171 HydrophobicContact CE1-CE1 3.38Å; F1077-F1171 AromaticContact CE1-CZ 3.81Å; F1077-F1171 HydrophobicContact CE1-CZ 3.81Å; F1077-F1171 HydrophobicContact CZ-CD1 4.45Å; F1077-F1171 AromaticContact CZ-CE1 3.98Å; F1077-F1171 HydrophobicContact CZ-CE1 3.98Å; L1167-F1171 WeakPolarHBondContact O-CB 3.47Å; L1167-F1171 PolarHBondContact O-N 3.45Å; L1168-F1171 PolarHBondContact O-N 3.14Å; K1169-F1171 VanDerWaalsContact C-N 3.26Å; K1169-F1171 PolarHBondContact O-N 2.65Å; F1171-E1173 VanDerWaalsContact C-N 3.31Å; F1171-E1173 PolarHBondContact O-N 3.49Å; F1171-K1174 PolarHBondContact O-N 3.02Å; F1171-F1175 HydrophobicContact CD1-CB 4.38Å; F1171-F1175 HydrophobicContact CD1-CD2 4.27Å; F1171-F1175 HydrophobicContact CD2-CD2 4.1Å; F1171-F1175 HydrophobicContact CE1-CB 4Å; F1171-F1175 HydrophobicContact CE1-CD2 4.12Å; F1171-F1175 HydrophobicContact CE1-CG 4.49Å; F1171-F1175 AromaticContact CE2-CD2 3.96Å; F1171-F1175 HydrophobicContact CE2-CD2 3.96Å; F1171-F1175 HydrophobicContact CE2-CE2 4.37Å; F1171-F1175 HydrophobicContact CG-CD2 4.25Å; F1171-F1175 HydrophobicContact CZ-CB 4.43Å; F1171-F1175 AromaticContact CZ-CD2 3.96Å; F1171-F1175 HydrophobicContact CZ-CD2 3.96Å; F1171-F1175 PolarHBondContact O-N 2.9Å; F1171-V1178 HydrophobicContact CE1-CG1 4.36Å; F1171-W1179 AromaticContact CD1-CE3 3.85Å; F1171-W1179 HydrophobicContact CD1-CE3 3.85Å; F1171-W1179 HydrophobicContact CD1-CZ3 4.09Å; F1171-W1179 HydrophobicContact CE1-CE3 4.44Å; F1171-I1206 HydrophobicContact CE2-CG2 3.94Å; F1171-I1206 HydrophobicContact CZ-CG2 4.09Å; F1171-F1209 HydrophobicContact CB-CE1 4.13Å; F1171-F1209 HydrophobicContact CD2-CD1 4.01Å; F1171-F1209 AromaticContact CD2-CE1 3.83Å; F1171-F1209 HydrophobicContact CD2-CE1 3.83Å; F1171-F1209 HydrophobicContact CG-CE1 4.41Å; F1171-I1210 HydrophobicContact CE2-CD1 4.28Å; F1171-I1210 HydrophobicContact CE2-CG1 4.37Å |
| 1172 | S | 90.9 | Very high | 90 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 177.9 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | L1168 K1169 W1179 | L1168-S1172 PolarHBondContact O-N 3.36Å; L1168-S1172 PolarHBondContact O-OG 3.1Å; K1169-S1172 PolarHBondContact O-N 2.83Å; K1169-S1172 PolarHBondContact O-OG 2.95Å; S1172-W1179 VanDerWaalsContact CB-CD2 3.46Å |
| 1173 | E | 90.6 | Very high | 89.7 | Confident | 144 Ų | 144 | 48.1 Ų | 48.1 | 67% | 0.673 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -71.1 | -42.7 | 175.2 | -71.2 | 166.7 | -177.1 | 0 | 0 | 112.1 | K1169 F1171 | K1169-E1173 WeakPolarHBondContact O-CG 3.33Å; K1169-E1173 PolarHBondContact O-N 3.43Å; F1171-E1173 VanDerWaalsContact C-N 3.31Å; F1171-E1173 PolarHBondContact O-N 3.49Å |
| 1174 | K | 91.4 | Very high | 89.3 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.9 | -34.7 | -178.5 | -168.1 | -178.8 | 175.6 | -164.4 | 0 | 113.2 | K1170 F1171 P1176 F1209 | K1170-K1174 WeakPolarHBondContact O-CB 3.42Å; K1170-K1174 PolarHBondContact O-N 3.08Å; F1171-K1174 PolarHBondContact O-N 3.02Å; K1174-P1176 WeakPolarHBondContact O-CD 3.42Å; K1174-F1209 HydrophobicContact CD-CB 4.46Å; K1174-F1209 HydrophobicContact CD-CD2 3.57Å; K1174-F1209 HydrophobicContact CD-CE2 4.05Å; K1174-F1209 HydrophobicContact CD-CG 4.17Å |
| 1175 | F | 92.2 | Very high | 88.4 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -125.9 | 57.4 | -174.4 | -54.6 | -68.1 | 0 | 0 | 0 | 113.3 | F1171 S1177 V1178 W1179 E1205 I1206 F1209 | F1171-F1175 HydrophobicContact CD1-CB 4.38Å; F1171-F1175 HydrophobicContact CD1-CD2 4.27Å; F1171-F1175 HydrophobicContact CD2-CD2 4.1Å; F1171-F1175 HydrophobicContact CE1-CB 4Å; F1171-F1175 HydrophobicContact CE1-CD2 4.12Å; F1171-F1175 HydrophobicContact CE1-CG 4.49Å; F1171-F1175 AromaticContact CE2-CD2 3.96Å; F1171-F1175 HydrophobicContact CE2-CD2 3.96Å; F1171-F1175 HydrophobicContact CE2-CE2 4.37Å; F1171-F1175 HydrophobicContact CG-CD2 4.25Å; F1171-F1175 HydrophobicContact CZ-CB 4.43Å; F1171-F1175 AromaticContact CZ-CD2 3.96Å; F1171-F1175 HydrophobicContact CZ-CD2 3.96Å; F1171-F1175 PolarHBondContact O-N 2.9Å; F1175-S1177 VanDerWaalsContact C-N 3.27Å; F1175-S1177 PolarHBondContact O-N 2.79Å; F1175-V1178 HydrophobicContact CB-CB 4.17Å; F1175-V1178 HydrophobicContact CB-CG2 4.1Å; F1175-V1178 PolarHBondContact O-N 3.46Å; F1175-V1178 VanDerWaalsContact O-N 3.09Å; F1175-W1179 PolarHBondContact O-N 3.06Å; F1175-E1205 HydrophobicContact CE1-CB 4.44Å; F1175-E1205 WeakPolarHBondContact CZ-O 3.44Å; F1175-I1206 HydrophobicContact CD1-CD1 4.43Å; F1175-I1206 HydrophobicContact CD1-CG1 3.69Å; F1175-I1206 HydrophobicContact CD2-CG1 4.05Å; F1175-I1206 HydrophobicContact CE1-CG1 3.55Å; F1175-I1206 HydrophobicContact CE2-CB 4.42Å; F1175-I1206 HydrophobicContact CE2-CG1 3.92Å; F1175-I1206 HydrophobicContact CG-CG1 3.93Å; F1175-I1206 HydrophobicContact CZ-CB 4.22Å; F1175-I1206 HydrophobicContact CZ-CG1 3.66Å; F1175-F1209 HydrophobicContact CE2-CB 3.68Å; F1175-F1209 AromaticContact CE2-CD1 3.8Å; F1175-F1209 HydrophobicContact CE2-CD1 3.8Å; F1175-F1209 HydrophobicContact CE2-CD2 4.35Å; F1175-F1209 AromaticContact CE2-CG 3.69Å; F1175-F1209 HydrophobicContact CE2-CG 3.69Å; F1175-F1209 HydrophobicContact CZ-CB 3.82Å; F1175-F1209 HydrophobicContact CZ-CG 4.26Å | ||
| 1176 | P | 90.5 | Very high | 86.8 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -31.7 | -176.6 | 25.5 | -34.8 | 0 | 0 | 0 | 112.9 | K1174 V1178 W1179 E1180 | K1174-P1176 WeakPolarHBondContact O-CD 3.42Å; P1176-V1178 VanDerWaalsContact C-N 3.31Å; P1176-V1178 PolarHBondContact O-N 3.32Å; P1176-W1179 PolarHBondContact O-N 3.34Å; P1176-E1180 WeakPolarHBondContact O-CB 3.4Å; P1176-E1180 PolarHBondContact O-N 3.29Å |
| 1177 | S | 86.7 | Confident | 84.8 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 174 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | F1175 K1181 E1202 | F1175-S1177 VanDerWaalsContact C-N 3.27Å; F1175-S1177 PolarHBondContact O-N 2.79Å; S1177-K1181 WeakPolarHBondContact O-CB 3.16Å; S1177-K1181 WeakPolarHBondContact O-CG 3.38Å; S1177-K1181 PolarHBondContact O-N 3.18Å; S1177-E1202 PolarHBondContact OG-OE1 2.97Å |
| 1178 | V | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 180 | -174 | 0 | 0 | 0 | 0 | 110.7 | I1132 F1171 F1175 P1176 E1180 K1181 V1182 L1198 I1206 | I1132-V1178 HydrophobicContact CD1-CG1 3.64Å; F1171-V1178 HydrophobicContact CE1-CG1 4.36Å; F1175-V1178 HydrophobicContact CB-CB 4.17Å; F1175-V1178 HydrophobicContact CB-CG2 4.1Å; F1175-V1178 PolarHBondContact O-N 3.46Å; F1175-V1178 VanDerWaalsContact O-N 3.09Å; P1176-V1178 VanDerWaalsContact C-N 3.31Å; P1176-V1178 PolarHBondContact O-N 3.32Å; V1178-E1180 PolarHBondContact O-N 3.41Å; V1178-K1181 PolarHBondContact O-N 2.87Å; V1178-V1182 WeakPolarHBondContact O-CG2 3.48Å; V1178-V1182 PolarHBondContact O-N 2.65Å; V1178-L1198 HydrophobicContact CG1-CD1 4.41Å; V1178-L1198 HydrophobicContact CG2-CD1 4.18Å; V1178-L1198 HydrophobicContact CG2-CD2 3.98Å; V1178-I1206 HydrophobicContact CG2-CD1 3.77Å |
| 1179 | W | 88.6 | Confident | 79.6 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 175.8 | -159 | -103.7 | 0 | 0 | 0 | 111.3 | V1069 V1073 F1077 L1168 F1171 S1172 F1175 P1176 V1182 L1183 | V1069-W1179 HydrophobicContact CG1-CZ2 4.2Å; V1073-W1179 HydrophobicContact CG1-CH2 4.34Å; V1073-W1179 HydrophobicContact CG1-CZ2 4.05Å; F1077-W1179 HydrophobicContact CD1-CZ3 4.31Å; F1077-W1179 AromaticContact CD2-CE3 3.74Å; F1077-W1179 HydrophobicContact CD2-CE3 3.74Å; F1077-W1179 AromaticContact CD2-CH2 3.92Å; F1077-W1179 HydrophobicContact CD2-CH2 3.92Å; F1077-W1179 AromaticContact CD2-CZ3 3.34Å; F1077-W1179 HydrophobicContact CD2-CZ3 3.34Å; F1077-W1179 HydrophobicContact CE1-CE3 4.2Å; F1077-W1179 HydrophobicContact CE1-CZ3 4.35Å; F1077-W1179 AromaticContact CE2-CD2 3.93Å; F1077-W1179 HydrophobicContact CE2-CD2 3.93Å; F1077-W1179 AromaticContact CE2-CE3 3.22Å; F1077-W1179 HydrophobicContact CE2-CE3 3.22Å; F1077-W1179 HydrophobicContact CE2-CH2 4.18Å; F1077-W1179 AromaticContact CE2-CZ3 3.38Å; F1077-W1179 HydrophobicContact CE2-CZ3 3.38Å; F1077-W1179 HydrophobicContact CG-CE3 4.4Å; F1077-W1179 AromaticContact CG-CZ3 3.83Å; F1077-W1179 HydrophobicContact CG-CZ3 3.83Å; F1077-W1179 HydrophobicContact CZ-CD2 4.34Å; F1077-W1179 AromaticContact CZ-CE3 3.48Å; F1077-W1179 HydrophobicContact CZ-CE3 3.48Å; F1077-W1179 VanDerWaalsContact CZ-CE3 3.48Å; F1077-W1179 AromaticContact CZ-CZ3 3.91Å; F1077-W1179 HydrophobicContact CZ-CZ3 3.91Å; L1168-W1179 HydrophobicContact CB-CH2 4.26Å; L1168-W1179 HydrophobicContact CD2-CH2 4.18Å; L1168-W1179 HydrophobicContact CD2-CZ3 4.28Å; F1171-W1179 AromaticContact CD1-CE3 3.85Å; F1171-W1179 HydrophobicContact CD1-CE3 3.85Å; F1171-W1179 HydrophobicContact CD1-CZ3 4.09Å; F1171-W1179 HydrophobicContact CE1-CE3 4.44Å; S1172-W1179 VanDerWaalsContact CB-CD2 3.46Å; F1175-W1179 PolarHBondContact O-N 3.06Å; P1176-W1179 PolarHBondContact O-N 3.34Å; W1179-V1182 PolarHBondContact O-N 2.76Å; W1179-L1183 HydrophobicContact CG-CD1 4.49Å; W1179-L1183 WeakPolarHBondContact O-CB 3.38Å; W1179-L1183 PolarHBondContact O-N 3.34Å |
| 1180 | E | 86.6 | Confident | 77.1 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 172.5 | -81.1 | -162.6 | -161 | 0 | 0 | 113.4 | P1176 V1178 V1182 L1183 K1184 | P1176-E1180 WeakPolarHBondContact O-CB 3.4Å; P1176-E1180 PolarHBondContact O-N 3.29Å; V1178-E1180 PolarHBondContact O-N 3.41Å; E1180-V1182 PolarHBondContact O-N 3.35Å; E1180-L1183 PolarHBondContact O-N 3.01Å; E1180-K1184 WeakPolarHBondContact O-CB 3.37Å; E1180-K1184 WeakPolarHBondContact O-CG 3.45Å; E1180-K1184 PolarHBondContact O-N 3.03Å; E1180-K1184 WeakPolarHBondContact OE2-CE 3.16Å; E1180-K1184 IonicContact OE2-NZ 3.56Å; E1180-K1184 PolarHBondContact OE2-NZ 2.87Å |
| 1181 | K | 86.5 | Confident | 74.4 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.7 | -38 | 175 | -76.3 | 168.9 | -172.9 | -180 | 0 | 110.8 | S1177 V1178 S1185 I1196 K1197 L1198 E1202 | S1177-K1181 WeakPolarHBondContact O-CB 3.16Å; S1177-K1181 WeakPolarHBondContact O-CG 3.38Å; S1177-K1181 PolarHBondContact O-N 3.18Å; V1178-K1181 PolarHBondContact O-N 2.87Å; K1181-S1185 WeakPolarHBondContact O-CB 3.33Å; K1181-S1185 PolarHBondContact O-N 2.96Å; K1181-I1196 HydrophobicContact CB-CD1 4.46Å; K1181-I1196 HydrophobicContact CB-CG2 3.98Å; K1181-I1196 HydrophobicContact CD-CG2 4.05Å; K1181-K1197 PolarHBondContact NZ-O 3.35Å; K1181-L1198 HydrophobicContact CD-CD2 3.72Å; K1181-L1198 VanDerWaalsContact NZ-CD2 3.26Å; K1181-E1202 IonicContact NZ-OE1 3.04Å; K1181-E1202 IonicContact NZ-OE2 3.08Å; K1181-E1202 PolarHBondContact NZ-OE2 2.86Å; K1181-E1202 VanDerWaalsContact NZ-OE2 3.12Å |
| 1182 | V | 85.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.2 | -45.5 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | V1073 R1076 F1077 L1081 V1178 W1179 E1180 K1184 S1185 I1196 | V1073-V1182 HydrophobicContact CG1-CG1 4.35Å; R1076-V1182 HydrophobicContact CB-CG1 4.47Å; F1077-V1182 HydrophobicContact CD2-CG1 4.34Å; F1077-V1182 HydrophobicContact CE1-CG2 4.32Å; F1077-V1182 HydrophobicContact CE2-CB 3.81Å; F1077-V1182 HydrophobicContact CE2-CG1 3.67Å; F1077-V1182 HydrophobicContact CE2-CG2 3.96Å; F1077-V1182 HydrophobicContact CZ-CB 3.88Å; F1077-V1182 HydrophobicContact CZ-CG1 4.17Å; F1077-V1182 HydrophobicContact CZ-CG2 3.57Å; L1081-V1182 HydrophobicContact CD2-CG2 3.71Å; V1178-V1182 WeakPolarHBondContact O-CG2 3.48Å; V1178-V1182 PolarHBondContact O-N 2.65Å; W1179-V1182 PolarHBondContact O-N 2.76Å; E1180-V1182 PolarHBondContact O-N 3.35Å; V1182-K1184 PolarHBondContact O-N 3.15Å; V1182-S1185 PolarHBondContact O-N 3.22Å; V1182-S1185 PolarHBondContact O-OG 2.86Å; V1182-I1196 HydrophobicContact CB-CD1 4.39Å; V1182-I1196 HydrophobicContact CG2-CD1 3.62Å |
| 1183 | L | 84.8 | Confident | 69.3 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.2 | -48.4 | 176.5 | -85.4 | 158.5 | 0 | 0 | 0 | 112.2 | V1073 W1179 E1180 S1185 S1186 | V1073-L1183 HydrophobicContact CG2-CD2 3.74Å; V1073-L1183 HydrophobicContact CG2-CG 4.21Å; W1179-L1183 HydrophobicContact CG-CD1 4.49Å; W1179-L1183 WeakPolarHBondContact O-CB 3.38Å; W1179-L1183 PolarHBondContact O-N 3.34Å; E1180-L1183 PolarHBondContact O-N 3.01Å; L1183-S1185 PolarHBondContact O-N 3.48Å; L1183-S1186 PolarHBondContact O-OG 3.14Å |
| 1184 | K | 79.7 | Confident | 67.5 | Low | 131 Ų | 131 | 86 Ų | 86 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.1 | -15.6 | -178.7 | -68.2 | 165.8 | 179.2 | 171.3 | 0 | 113.5 | E1180 V1182 S1186 D1187 | E1180-K1184 WeakPolarHBondContact O-CB 3.37Å; E1180-K1184 WeakPolarHBondContact O-CG 3.45Å; E1180-K1184 PolarHBondContact O-N 3.03Å; E1180-K1184 WeakPolarHBondContact OE2-CE 3.16Å; E1180-K1184 IonicContact OE2-NZ 3.56Å; E1180-K1184 PolarHBondContact OE2-NZ 2.87Å; V1182-K1184 PolarHBondContact O-N 3.15Å; K1184-S1186 PolarHBondContact O-N 3.49Å; K1184-D1187 PolarHBondContact O-N 3.37Å |
| 1185 | S | 71.9 | Confident | 66.3 | Low | 20 Ų | 20 | 83.4 Ų | 83.4 | 14% | 0.14 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 16.3 | -177.5 | 74.5 | 0 | 0 | 0 | 0 | 115.3 | R1076 K1181 V1182 L1183 | R1076-S1185 PolarHBondContact NH1-OG 3.38Å; R1076-S1185 PolarHBondContact NH2-O 3.1Å; R1076-S1185 VanDerWaalsContact NH2-O 3.1Å; K1181-S1185 WeakPolarHBondContact O-CB 3.33Å; K1181-S1185 PolarHBondContact O-N 2.96Å; V1182-S1185 PolarHBondContact O-N 3.22Å; V1182-S1185 PolarHBondContact O-OG 2.86Å; L1183-S1185 PolarHBondContact O-N 3.48Å |
| 1186 | S | 58.8 | Low | 65.6 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -31.4 | 161.8 | 45.4 | 0 | 0 | 0 | 0 | 113.2 | L1183 K1184 C1189 | L1183-S1186 PolarHBondContact O-OG 3.14Å; K1184-S1186 PolarHBondContact O-N 3.49Å; S1186-C1189 PolarHBondContact O-SG 3.09Å; S1186-C1189 VanDerWaalsContact O-SG 3.33Å |
| 1187 | D | 49.1 | Very low | 65.3 | Low | 138 Ų | 138 | 85.3 Ų | 85.3 | 74% | 0.738 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.6 | -160.4 | -61.9 | 1.8 | 0 | 0 | 0 | 111.8 | K1184 C1189 | K1184-D1187 PolarHBondContact O-N 3.37Å; D1187-C1189 PolarHBondContact O-N 3.26Å |
| 1188 | S | 38.3 | Very low | 65.2 | Low | 52 Ų | 52 | 82.9 Ų | 82.9 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 27.5 | 175.1 | 69 | 0 | 0 | 0 | 0 | 114.1 | K1190 | S1188-K1190 PolarHBondContact O-N 2.72Š|
| 1189 | C | 36.3 | Very low | 65.1 | Low | 116 Ų | 116 | 84.9 Ų | 84.9 | 78% | 0.784 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 12.1 | 176.5 | -90.4 | 0 | 0 | 0 | 0 | 114.8 | S1186 D1187 | S1186-C1189 PolarHBondContact O-SG 3.09Å; S1186-C1189 VanDerWaalsContact O-SG 3.33Å; D1187-C1189 PolarHBondContact O-N 3.26Å |
| 1190 | K | 40 | Very low | 64.9 | Low | 190 Ų | 190 | 85.4 Ų | 85.4 | 83% | 0.826 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | 121.3 | 170.1 | -65.9 | -176.9 | -178.2 | 175 | 0 | 111 | S1188 N1192 | S1188-K1190 PolarHBondContact O-N 2.72Å; K1190-N1192 PolarHBondContact O-N 3.43Å |
| 1191 | R | 34.5 | Very low | 64.9 | Low | 251 Ų | 251 | 87.2 Ų | 87.2 | 95% | 0.947 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -8.6 | 161.3 | -71.5 | -174.9 | 171.5 | 162.3 | -2.7 | 121.8 | ||
| 1192 | N | 34.4 | Very low | 64.9 | Low | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 44% | 0.44 | S | S | * | . | trans | -141.5 | 120.5 | 169.2 | -97.5 | -39.5 | 0 | 0 | 0 | 113.5 | K1190 S1194 | K1190-N1192 PolarHBondContact O-N 3.43Å; N1192-S1194 PolarHBondContact O-N 3.14Å | ||
| 1193 | N | 41 | Very low | 65 | Low | 173 Ų | 173 | 86.3 Ų | 86.3 | 93% | 0.925 | 44% | 0.442 | S | S | * | . | trans | -76.9 | 72.7 | 165.3 | -84.1 | -12.6 | 0 | 0 | 0 | 109.3 | C1195 | N1193-C1195 VanDerWaalsContact C-N 3.28Å; N1193-C1195 PolarHBondContact O-N 3.13Å | ||
| 1194 | S | 52.6 | Low | 65.1 | Low | 79 Ų | 79 | 88.1 Ų | 88.1 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | trans | -65.8 | 91.2 | 165.6 | 53.8 | 0 | 0 | 0 | 0 | 108.8 | N1192 I1196 | N1192-S1194 PolarHBondContact O-N 3.14Å; S1194-I1196 PolarHBondContact O-N 3.49Å | ||
| 1195 | C | 66.1 | Low | 65.6 | Low | 44 Ų | 44 | 85.6 Ų | 85.6 | 30% | 0.297 | 44% | 0.442 | S | S | . | . | trans | -56.8 | 139.7 | 170.2 | -166.7 | 0 | 0 | 0 | 0 | 108.6 | E1084 N1193 K1197 | E1084-C1195 HydrophobicContact CB-CB 4.14Å; N1193-C1195 VanDerWaalsContact C-N 3.28Å; N1193-C1195 PolarHBondContact O-N 3.13Å; C1195-K1197 PolarHBondContact O-N 3.05Å | ||
| 1196 | I | 78.7 | Confident | 66.5 | Low | 20 Ų | 20 | 84.6 Ų | 84.6 | 10% | 0.103 | 44% | 0.435 | C | S | . | . | trans | -67.6 | 109.9 | 178.3 | -67.6 | 174 | 0 | 0 | 0 | 107.1 | V1083 E1084 K1181 V1182 S1194 L1198 | V1083-I1196 WeakPolarHBondContact CA-O 3.18Å; V1083-I1196 VanDerWaalsContact CB-O 3.32Å; V1083-I1196 WeakPolarHBondContact CB-O 3.43Å; V1083-I1196 HydrophobicContact CG1-CB 4.07Å; V1083-I1196 HydrophobicContact CG1-CG2 3.95Å; E1084-I1196 PolarHBondContact N-O 3.02Å; E1084-I1196 VanDerWaalsContact N-O 3.07Å; K1181-I1196 HydrophobicContact CB-CD1 4.46Å; K1181-I1196 HydrophobicContact CB-CG2 3.98Å; K1181-I1196 HydrophobicContact CD-CG2 4.05Å; V1182-I1196 HydrophobicContact CB-CD1 4.39Å; V1182-I1196 HydrophobicContact CG2-CD1 3.62Å; S1194-I1196 PolarHBondContact O-N 3.49Å; I1196-L1198 HydrophobicContact CG2-CD2 3.99Å; I1196-L1198 HydrophobicContact CG2-CG 4.32Å | ||
| 1197 | K | 83.6 | Confident | 67.7 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.4 | 176.1 | -64.5 | -169.8 | 178.7 | -154.9 | 0 | 110.3 | E1084 T1086 K1181 C1195 | E1084-K1197 HydrophobicContact CB-CG 4.21Å; E1084-K1197 VanDerWaalsContact CD-CE 3.48Å; E1084-K1197 HydrophobicContact CG-CG 4.42Å; E1084-K1197 WeakPolarHBondContact O-CA 3.35Å; E1084-K1197 VanDerWaalsContact OE1-CE 3.28Å; E1084-K1197 WeakPolarHBondContact OE1-CE 3.29Å; E1084-K1197 IonicContact OE1-NZ 3.74Å; E1084-K1197 PolarHBondContact OE1-NZ 3.01Å; E1084-K1197 VanDerWaalsContact OE1-NZ 3.16Å; T1086-K1197 HydrophobicContact CG2-CB 4.31Å; T1086-K1197 HydrophobicContact CG2-CD 4.01Å; T1086-K1197 HydrophobicContact CG2-CG 4.41Å; K1181-K1197 PolarHBondContact NZ-O 3.35Å; C1195-K1197 PolarHBondContact O-N 3.05Å |
| 1198 | L | 84.8 | Confident | 69.6 | Low | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.005 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.4 | 172.6 | -55.6 | -173.4 | 0 | 0 | 0 | 107.5 | V1083 E1084 T1086 I1132 V1178 K1181 I1196 E1202 V1203 I1206 | V1083-L1198 HydrophobicContact CB-CD1 4.36Å; V1083-L1198 HydrophobicContact CB-CG 4.35Å; V1083-L1198 HydrophobicContact CG1-CD1 4.14Å; V1083-L1198 HydrophobicContact CG1-CG 4.33Å; V1083-L1198 HydrophobicContact CG2-CD1 4.17Å; E1084-L1198 PolarHBondContact O-N 2.8Å; T1086-L1198 PolarHBondContact N-O 3.16Å; T1086-L1198 PolarHBondContact OG1-O 3.18Å; I1132-L1198 HydrophobicContact CD1-CD1 4.05Å; V1178-L1198 HydrophobicContact CG1-CD1 4.41Å; V1178-L1198 HydrophobicContact CG2-CD1 4.18Å; V1178-L1198 HydrophobicContact CG2-CD2 3.98Å; K1181-L1198 HydrophobicContact CD-CD2 3.72Å; K1181-L1198 VanDerWaalsContact NZ-CD2 3.26Å; I1196-L1198 HydrophobicContact CG2-CD2 3.99Å; I1196-L1198 HydrophobicContact CG2-CG 4.32Å; L1198-E1202 HydrophobicContact CB-CB 4.17Å; L1198-E1202 WeakPolarHBondContact CD2-OE2 3.3Å; L1198-V1203 HydrophobicContact CB-CG2 3.64Å; L1198-V1203 HydrophobicContact CD1-CG2 4.06Å; L1198-V1203 HydrophobicContact CG-CG2 4.43Å; L1198-I1206 HydrophobicContact CD1-CD1 3.73Å |
| 1199 | N | 84.8 | Confident | 72 | Confident | 43 Ų | 43 | 84 Ų | 84 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 159.6 | 171.4 | 70.9 | 10 | 0 | 0 | 0 | 110.5 | T1086 E1088 K1201 E1202 V1203 | T1086-N1199 CarbonylContact O-C 3.51Å; T1086-N1199 VanDerWaalsContact O-CA 3.27Å; T1086-N1199 WeakPolarHBondContact O-CA 3.2Å; E1088-N1199 PolarHBondContact OE1-ND2 3.32Å; N1199-K1201 PolarHBondContact O-N 3.17Å; N1199-K1201 VanDerWaalsContact O-N 3.14Å; N1199-E1202 PolarHBondContact O-N 3.16Å; N1199-E1202 WeakPolarHBondContact OD1-CB 3.43Å; N1199-E1202 PolarHBondContact OD1-N 2.9Å; N1199-V1203 WeakPolarHBondContact O-CG2 3.36Å; N1199-V1203 PolarHBondContact O-N 3.45Å; N1199-V1203 VanDerWaalsContact O-N 3.13Å |
| 1200 | S | 85.4 | Confident | 74.3 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -51.1 | -41.4 | -179.1 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | T1086 V1203 D1204 | T1086-S1200 PolarHBondContact O-N 2.98Å; S1200-V1203 CarbonylContact O-C 3.56Å; S1200-V1203 WeakPolarHBondContact O-CA 3.45Å; S1200-V1203 WeakPolarHBondContact O-CB 3.43Å; S1200-V1203 PolarHBondContact O-N 3.19Å; S1200-V1203 VanDerWaalsContact O-N 3.09Å; S1200-D1204 WeakPolarHBondContact O-CB 3.36Å; S1200-D1204 PolarHBondContact O-N 3.12Å; S1200-D1204 PolarHBondContact OG-OD2 3.02Å; S1200-D1204 VanDerWaalsContact OG-OD2 3.04Å |
| 1201 | K | 86.1 | Confident | 76.2 | Confident | 138 Ų | 138 | 71.5 Ų | 71.5 | 60% | 0.6 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | -177 | -159.6 | -172.9 | 178.6 | -149.1 | 0 | 113.7 | N1199 V1203 D1204 E1205 | N1199-K1201 PolarHBondContact O-N 3.17Å; N1199-K1201 VanDerWaalsContact O-N 3.14Å; K1201-V1203 VanDerWaalsContact C-N 3.25Å; K1201-V1203 PolarHBondContact O-N 3.09Å; K1201-D1204 PolarHBondContact O-N 3.16Å; K1201-E1205 WeakPolarHBondContact CE-OE1 3.42Å; K1201-E1205 IonicContact NZ-OE1 3.93Å; K1201-E1205 PolarHBondContact NZ-OE1 3.3Å; K1201-E1205 WeakPolarHBondContact O-CB 3.47Å; K1201-E1205 WeakPolarHBondContact O-CG 3.4Å; K1201-E1205 PolarHBondContact O-N 3.42Å |
| 1202 | E | 87.2 | Confident | 78.6 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 169.3 | -84.5 | -169.8 | 129.4 | 0 | 0 | 109.7 | S1177 K1181 L1198 N1199 I1206 | S1177-E1202 PolarHBondContact OG-OE1 2.97Å; K1181-E1202 IonicContact NZ-OE1 3.04Å; K1181-E1202 IonicContact NZ-OE2 3.08Å; K1181-E1202 PolarHBondContact NZ-OE2 2.86Å; K1181-E1202 VanDerWaalsContact NZ-OE2 3.12Å; L1198-E1202 HydrophobicContact CB-CB 4.17Å; L1198-E1202 WeakPolarHBondContact CD2-OE2 3.3Å; N1199-E1202 PolarHBondContact O-N 3.16Å; N1199-E1202 WeakPolarHBondContact OD1-CB 3.43Å; N1199-E1202 PolarHBondContact OD1-N 2.9Å; E1202-I1206 WeakPolarHBondContact O-CB 3.45Å; E1202-I1206 WeakPolarHBondContact O-CD1 3.45Å; E1202-I1206 WeakPolarHBondContact O-CG1 3.27Å; E1202-I1206 PolarHBondContact O-N 2.8Å |
| 1203 | V | 87.4 | Confident | 80.6 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | V1083 V1085 A1130 L1198 N1199 S1200 K1201 I1206 M1207 | V1083-V1203 HydrophobicContact CG2-CG2 4.27Å; V1085-V1203 HydrophobicContact CG1-CG2 4.19Å; V1085-V1203 HydrophobicContact CG2-CG1 4.41Å; V1085-V1203 HydrophobicContact CG2-CG2 4.17Å; A1130-V1203 HydrophobicContact CB-CG1 3.5Å; L1198-V1203 HydrophobicContact CB-CG2 3.64Å; L1198-V1203 HydrophobicContact CD1-CG2 4.06Å; L1198-V1203 HydrophobicContact CG-CG2 4.43Å; N1199-V1203 WeakPolarHBondContact O-CG2 3.36Å; N1199-V1203 PolarHBondContact O-N 3.45Å; N1199-V1203 VanDerWaalsContact O-N 3.13Å; S1200-V1203 CarbonylContact O-C 3.56Å; S1200-V1203 WeakPolarHBondContact O-CA 3.45Å; S1200-V1203 WeakPolarHBondContact O-CB 3.43Å; S1200-V1203 PolarHBondContact O-N 3.19Å; S1200-V1203 VanDerWaalsContact O-N 3.09Å; K1201-V1203 VanDerWaalsContact C-N 3.25Å; K1201-V1203 PolarHBondContact O-N 3.09Å; V1203-I1206 PolarHBondContact O-N 3.4Å; V1203-M1207 HydrophobicContact CG1-CG 4.16Å; V1203-M1207 WeakPolarHBondContact O-CB 3.44Å; V1203-M1207 WeakPolarHBondContact O-CG 3.5Å; V1203-M1207 PolarHBondContact O-N 2.93Å |
| 1204 | D | 87.4 | Confident | 82.5 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | -179.9 | -65 | -42.7 | 0 | 0 | 0 | 110.9 | S1200 K1201 I1206 M1207 E1208 | S1200-D1204 WeakPolarHBondContact O-CB 3.36Å; S1200-D1204 PolarHBondContact O-N 3.12Å; S1200-D1204 PolarHBondContact OG-OD2 3.02Å; S1200-D1204 VanDerWaalsContact OG-OD2 3.04Å; K1201-D1204 PolarHBondContact O-N 3.16Å; D1204-I1206 VanDerWaalsContact C-N 3.32Å; D1204-I1206 PolarHBondContact O-N 3.32Å; D1204-M1207 PolarHBondContact O-N 2.77Å; D1204-E1208 WeakPolarHBondContact O-CB 3.45Å; D1204-E1208 PolarHBondContact O-N 3.19Å |
| 1205 | E | 90.3 | Very high | 83.8 | Confident | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -32.7 | 175.6 | -70.7 | 178.4 | -158.4 | 0 | 0 | 112.9 | F1175 K1201 F1209 | F1175-E1205 HydrophobicContact CE1-CB 4.44Å; F1175-E1205 WeakPolarHBondContact CZ-O 3.44Å; K1201-E1205 WeakPolarHBondContact CE-OE1 3.42Å; K1201-E1205 IonicContact NZ-OE1 3.93Å; K1201-E1205 PolarHBondContact NZ-OE1 3.3Å; K1201-E1205 WeakPolarHBondContact O-CB 3.47Å; K1201-E1205 WeakPolarHBondContact O-CG 3.4Å; K1201-E1205 PolarHBondContact O-N 3.42Å; E1205-F1209 PolarHBondContact O-N 2.73Å; E1205-F1209 VanDerWaalsContact O-N 3.12Å |
| 1206 | I | 89 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.3 | -43.7 | 172.1 | -68 | 159.3 | 0 | 0 | 0 | 110.8 | I1132 F1171 F1175 V1178 L1198 E1202 V1203 D1204 E1208 F1209 I1210 | I1132-I1206 HydrophobicContact CB-CG2 3.87Å; I1132-I1206 HydrophobicContact CG2-CB 4.41Å; I1132-I1206 HydrophobicContact CG2-CG2 3.71Å; F1171-I1206 HydrophobicContact CE2-CG2 3.94Å; F1171-I1206 HydrophobicContact CZ-CG2 4.09Å; F1175-I1206 HydrophobicContact CD1-CD1 4.43Å; F1175-I1206 HydrophobicContact CD1-CG1 3.69Å; F1175-I1206 HydrophobicContact CD2-CG1 4.05Å; F1175-I1206 HydrophobicContact CE1-CG1 3.55Å; F1175-I1206 HydrophobicContact CE2-CB 4.42Å; F1175-I1206 HydrophobicContact CE2-CG1 3.92Å; F1175-I1206 HydrophobicContact CG-CG1 3.93Å; F1175-I1206 HydrophobicContact CZ-CB 4.22Å; F1175-I1206 HydrophobicContact CZ-CG1 3.66Å; V1178-I1206 HydrophobicContact CG2-CD1 3.77Å; L1198-I1206 HydrophobicContact CD1-CD1 3.73Å; E1202-I1206 WeakPolarHBondContact O-CB 3.45Å; E1202-I1206 WeakPolarHBondContact O-CD1 3.45Å; E1202-I1206 WeakPolarHBondContact O-CG1 3.27Å; E1202-I1206 PolarHBondContact O-N 2.8Å; V1203-I1206 PolarHBondContact O-N 3.4Å; D1204-I1206 VanDerWaalsContact C-N 3.32Å; D1204-I1206 PolarHBondContact O-N 3.32Å; I1206-E1208 VanDerWaalsContact C-N 3.32Å; I1206-E1208 PolarHBondContact O-N 3.34Å; I1206-F1209 PolarHBondContact O-N 3.08Å; I1206-I1210 HydrophobicContact CG2-CD1 3.65Å; I1206-I1210 HydrophobicContact CG2-CG1 4.27Å; I1206-I1210 VanDerWaalsContact O-CG1 3.28Å; I1206-I1210 WeakPolarHBondContact O-CG1 3.39Å; I1206-I1210 PolarHBondContact O-N 3.32Å |
| 1207 | M | 85.4 | Confident | 84.1 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | -179.8 | -72.3 | -71.3 | -101.6 | 0 | 0 | 111.6 | V1203 D1204 A1211 R1216 | V1203-M1207 HydrophobicContact CG1-CG 4.16Å; V1203-M1207 WeakPolarHBondContact O-CB 3.44Å; V1203-M1207 WeakPolarHBondContact O-CG 3.5Å; V1203-M1207 PolarHBondContact O-N 2.93Å; D1204-M1207 PolarHBondContact O-N 2.77Å; M1207-A1211 VanDerWaalsContact O-CB 3.29Å; M1207-A1211 WeakPolarHBondContact O-CB 3.21Å; M1207-A1211 PolarHBondContact O-N 3.48Å; M1207-R1216 PolarHBondContact O-NH1 3.32Å; M1207-R1216 PolarHBondContact SD-NH2 3.47Å |
| 1208 | E | 87.8 | Confident | 83.9 | Confident | 117 Ų | 117 | 57.6 Ų | 57.6 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 168.9 | -172.9 | -170.3 | -176.3 | 0 | 0 | 111.4 | D1204 I1206 I1210 A1211 N1212 | D1204-E1208 WeakPolarHBondContact O-CB 3.45Å; D1204-E1208 PolarHBondContact O-N 3.19Å; I1206-E1208 VanDerWaalsContact C-N 3.32Å; I1206-E1208 PolarHBondContact O-N 3.34Å; E1208-I1210 VanDerWaalsContact C-N 3.34Å; E1208-I1210 PolarHBondContact O-N 2.9Å; E1208-A1211 PolarHBondContact O-N 3.35Å; E1208-N1212 WeakPolarHBondContact O-CB 3.19Å; E1208-N1212 PolarHBondContact O-N 2.78Å; E1208-N1212 PolarHBondContact O-ND2 2.86Å |
| 1209 | F | 90 | Very high | 83.8 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 175.9 | 176.9 | -95.9 | 0 | 0 | 0 | 112.3 | L1167 K1170 F1171 K1174 F1175 E1205 I1206 A1211 N1212 S1213 | L1167-F1209 HydrophobicContact CD1-CE1 3.75Å; L1167-F1209 HydrophobicContact CD1-CZ 3.84Å; K1170-F1209 HydrophobicContact CB-CZ 4.09Å; F1171-F1209 HydrophobicContact CB-CE1 4.13Å; F1171-F1209 HydrophobicContact CD2-CD1 4.01Å; F1171-F1209 AromaticContact CD2-CE1 3.83Å; F1171-F1209 HydrophobicContact CD2-CE1 3.83Å; F1171-F1209 HydrophobicContact CG-CE1 4.41Å; K1174-F1209 HydrophobicContact CD-CB 4.46Å; K1174-F1209 HydrophobicContact CD-CD2 3.57Å; K1174-F1209 HydrophobicContact CD-CE2 4.05Å; K1174-F1209 HydrophobicContact CD-CG 4.17Å; F1175-F1209 HydrophobicContact CE2-CB 3.68Å; F1175-F1209 AromaticContact CE2-CD1 3.8Å; F1175-F1209 HydrophobicContact CE2-CD1 3.8Å; F1175-F1209 HydrophobicContact CE2-CD2 4.35Å; F1175-F1209 AromaticContact CE2-CG 3.69Å; F1175-F1209 HydrophobicContact CE2-CG 3.69Å; F1175-F1209 HydrophobicContact CZ-CB 3.82Å; F1175-F1209 HydrophobicContact CZ-CG 4.26Å; E1205-F1209 PolarHBondContact O-N 2.73Å; E1205-F1209 VanDerWaalsContact O-N 3.12Å; I1206-F1209 PolarHBondContact O-N 3.08Å; F1209-A1211 VanDerWaalsContact C-N 3.34Å; F1209-N1212 PolarHBondContact O-N 2.88Å; F1209-S1213 WeakPolarHBondContact O-CB 3.13Å; F1209-S1213 PolarHBondContact O-N 3.23Å |
| 1210 | I | 84.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.5 | -28.2 | 179.7 | -56 | 165.9 | 0 | 0 | 0 | 111.2 | I1132 L1134 F1171 I1206 E1208 S1213 R1216 | I1132-I1210 WeakPolarHBondContact O-CD1 3.45Å; L1134-I1210 HydrophobicContact CD2-CD1 4.43Å; L1134-I1210 HydrophobicContact CD2-CG1 4.07Å; L1134-I1210 HydrophobicContact CD2-CG2 3.97Å; F1171-I1210 HydrophobicContact CE2-CD1 4.28Å; F1171-I1210 HydrophobicContact CE2-CG1 4.37Å; I1206-I1210 HydrophobicContact CG2-CD1 3.65Å; I1206-I1210 HydrophobicContact CG2-CG1 4.27Å; I1206-I1210 VanDerWaalsContact O-CG1 3.28Å; I1206-I1210 WeakPolarHBondContact O-CG1 3.39Å; I1206-I1210 PolarHBondContact O-N 3.32Å; E1208-I1210 VanDerWaalsContact C-N 3.34Å; E1208-I1210 PolarHBondContact O-N 2.9Å; I1210-S1213 WeakPolarHBondContact CA-OG 3.38Å; I1210-S1213 VanDerWaalsContact O-O 3.08Å; I1210-S1213 PolarHBondContact O-OG 3.42Å; I1210-R1216 HydrophobicContact CG2-CG 3.95Å; I1210-R1216 VanDerWaalsContact CG2-NE 3.34Å |
| 1211 | A | 80.3 | Confident | 83.3 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1207 E1208 F1209 | M1207-A1211 VanDerWaalsContact O-CB 3.29Å; M1207-A1211 WeakPolarHBondContact O-CB 3.21Å; M1207-A1211 PolarHBondContact O-N 3.48Å; E1208-A1211 PolarHBondContact O-N 3.35Å; F1209-A1211 VanDerWaalsContact C-N 3.34Å |
| 1212 | N | 84.4 | Confident | 82.7 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -78.6 | -19.7 | 175.6 | -72.6 | -30.6 | 0 | 0 | 0 | 112.9 | E1208 F1209 | E1208-N1212 WeakPolarHBondContact O-CB 3.19Å; E1208-N1212 PolarHBondContact O-N 2.78Å; E1208-N1212 PolarHBondContact O-ND2 2.86Å; F1209-N1212 PolarHBondContact O-N 2.88Å |
| 1213 | S | 76.5 | Confident | 82.1 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -75.9 | 123.2 | 165.7 | 71.9 | 0 | 0 | 0 | 0 | 110.1 | F1209 I1210 C1215 R1216 | F1209-S1213 WeakPolarHBondContact O-CB 3.13Å; F1209-S1213 PolarHBondContact O-N 3.23Å; I1210-S1213 WeakPolarHBondContact CA-OG 3.38Å; I1210-S1213 VanDerWaalsContact O-O 3.08Å; I1210-S1213 PolarHBondContact O-OG 3.42Å; S1213-C1215 PolarHBondContact O-N 2.91Å; S1213-C1215 PolarHBondContact OG-SG 2.97Å; S1213-R1216 PolarHBondContact O-N 3.04Å |
| 1214 | E | 79.7 | Confident | 81.2 | Confident | 133 Ų | 133 | 61.5 Ų | 61.5 | 62% | 0.621 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -58.3 | -15.1 | -170.1 | -55.5 | 178.5 | 147.8 | 0 | 0 | 114.5 | W1148 R1216 N1217 A1218 | W1148-E1214 HydrophobicContact CZ2-CB 4.16Å; E1214-R1216 VanDerWaalsContact C-N 3.26Å; E1214-R1216 PolarHBondContact O-N 3.27Å; E1214-N1217 CarbonylContact O-C 3.56Å; E1214-N1217 PolarHBondContact O-N 3.29Å; E1214-A1218 PolarHBondContact O-N 2.92Å |
| 1215 | C | 81.3 | Confident | 80.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -61.9 | -25.1 | -178.9 | 76.4 | 0 | 0 | 0 | 0 | 114.8 | L1136 W1148 L1167 S1213 | L1136-C1215 HydrophobicContact CD2-CB 3.82Å; W1148-C1215 HydrophobicContact CD2-CB 3.54Å; W1148-C1215 HydrophobicContact CE3-CB 3.79Å; W1148-C1215 HydrophobicContact CG-CB 4.08Å; W1148-C1215 HydrophobicContact CH2-CB 4.08Å; W1148-C1215 HydrophobicContact CZ2-CB 3.84Å; W1148-C1215 HydrophobicContact CZ3-CB 4.05Å; L1167-C1215 HydrophobicContact CD2-CB 4.19Å; S1213-C1215 PolarHBondContact O-N 2.91Å; S1213-C1215 PolarHBondContact OG-SG 2.97Å |
| 1216 | R | 75.2 | Confident | 80.1 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -75.1 | -25.3 | 172.4 | -94.1 | -173.2 | -178.7 | 163.8 | 4.7 | 113.3 | M1207 I1210 S1213 E1214 | M1207-R1216 PolarHBondContact O-NH1 3.32Å; M1207-R1216 PolarHBondContact SD-NH2 3.47Å; I1210-R1216 HydrophobicContact CG2-CG 3.95Å; I1210-R1216 VanDerWaalsContact CG2-NE 3.34Å; S1213-R1216 PolarHBondContact O-N 3.04Å; E1214-R1216 VanDerWaalsContact C-N 3.26Å; E1214-R1216 PolarHBondContact O-N 3.27Å |
| 1217 | N | 75 | Confident | 80 | Confident | 136 Ų | 136 | 56.6 Ų | 56.6 | 73% | 0.727 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -99.4 | 1.8 | 179.1 | -57.8 | -29 | 0 | 0 | 0 | 111.9 | E1214 | E1214-N1217 CarbonylContact O-C 3.56Å; E1214-N1217 PolarHBondContact O-N 3.29Å |
| 1218 | A | 80.2 | Confident | 80.1 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -77.4 | 144.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1145 E1214 V1220 | V1145-A1218 HydrophobicContact CG1-CB 3.72Å; E1214-A1218 PolarHBondContact O-N 2.92Å; A1218-V1220 PolarHBondContact O-N 2.8Å |
| 1219 | P | 81.2 | Confident | 79.9 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 126.8 | -179.6 | -24.6 | 34.3 | 0 | 0 | 0 | 112.9 | L1146 L1221 R1360 | L1146-P1219 HydrophobicContact CB-CB 4.24Å; L1146-P1219 PolarHBondContact N-O 2.56Å; P1219-L1221 HydrophobicContact CB-CD1 4.37Å; P1219-L1221 HydrophobicContact CB-CG 4.26Å; P1219-R1360 HydrophobicContact CB-CG 4.31Å; P1219-R1360 HydrophobicContact CG-CB 4.48Å; P1219-R1360 HydrophobicContact CG-CG 3.68Å |
| 1220 | V | 81.3 | Confident | 79.6 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.6 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | A1143 Q1144 V1145 A1218 | A1143-V1220 HydrophobicContact CB-CG1 3.66Å; Q1144-V1220 WeakPolarHBondContact O-CA 3.4Å; V1145-V1220 HydrophobicContact CG2-CG2 4.36Å; A1218-V1220 PolarHBondContact O-N 2.8Å |
| 1221 | L | 79.9 | Confident | 79.6 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.6 | -170.5 | -62.7 | 176.7 | 0 | 0 | 0 | 111.8 | A1143 Q1144 L1146 P1219 Q1223 Y1227 | A1143-L1221 CarbonylContact C-O 3.58Å; A1143-L1221 VanDerWaalsContact CA-O 3.26Å; A1143-L1221 WeakPolarHBondContact CA-O 3.28Å; A1143-L1221 WeakPolarHBondContact CB-O 3.33Å; Q1144-L1221 WeakPolarHBondContact CG-O 3.39Å; Q1144-L1221 PolarHBondContact N-O 3.03Å; Q1144-L1221 PolarHBondContact O-N 3.26Å; L1146-L1221 HydrophobicContact CB-CD1 4.22Å; L1146-L1221 HydrophobicContact CD2-CD1 3.85Å; L1146-L1221 HydrophobicContact CG-CD1 4.44Å; P1219-L1221 HydrophobicContact CB-CD1 4.37Å; P1219-L1221 HydrophobicContact CB-CG 4.26Å; L1221-Q1223 PolarHBondContact O-N 2.86Å; L1221-Y1227 HydrophobicContact CB-CD2 4.11Å; L1221-Y1227 HydrophobicContact CB-CE2 3.76Å; L1221-Y1227 HydrophobicContact CD1-CD1 3.79Å; L1221-Y1227 HydrophobicContact CD1-CD2 3.71Å; L1221-Y1227 HydrophobicContact CD1-CE1 4.19Å; L1221-Y1227 HydrophobicContact CD1-CE2 4.1Å; L1221-Y1227 HydrophobicContact CD1-CG 3.55Å |
| 1222 | P | 73.4 | Confident | 79.8 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.3 | 129.3 | 176.4 | -31 | 35.1 | 0 | 0 | 0 | 114.2 | Q1144 K1224 G1225 Y1227 | Q1144-P1222 PolarHBondContact NE2-O 3.46Å; P1222-K1224 VanDerWaalsContact C-N 3.27Å; P1222-K1224 PolarHBondContact O-N 2.88Å; P1222-G1225 PolarHBondContact O-N 2.83Å; P1222-Y1227 WeakPolarHBondContact CD-OH 3.25Å |
| 1223 | Q | 73.7 | Confident | 80 | Confident | 32 Ų | 32 | 50 Ų | 50 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.2 | -171.6 | 174.1 | -179.9 | -30.1 | 0 | 0 | 114.7 | G1142 F1151 W1158 L1221 | G1142-Q1223 WeakPolarHBondContact O-CB 3.24Å; G1142-Q1223 PolarHBondContact O-N 3.3Å; F1151-Q1223 HydrophobicContact CB-CG 3.33Å; F1151-Q1223 HydrophobicContact CD1-CG 3.92Å; F1151-Q1223 VanDerWaalsContact CD1-NE2 3.33Å; F1151-Q1223 HydrophobicContact CD2-CG 4.29Å; F1151-Q1223 VanDerWaalsContact CD2-NE2 3.27Å; F1151-Q1223 HydrophobicContact CG-CG 3.61Å; W1158-Q1223 HydrophobicContact CH2-CG 3.92Å; W1158-Q1223 HydrophobicContact CZ2-CG 4.17Å; L1221-Q1223 PolarHBondContact O-N 2.86Å |
| 1224 | K | 69.3 | Low | 80.4 | Confident | 115 Ų | 115 | 54 Ų | 54 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.2 | 179 | -70.6 | -173.4 | 177.8 | -179.2 | 0 | 113.4 | T1153 P1222 S1334 | T1153-K1224 HydrophobicContact CG2-CB 4.4Å; T1153-K1224 HydrophobicContact CG2-CG 4.05Å; P1222-K1224 VanDerWaalsContact C-N 3.27Å; P1222-K1224 PolarHBondContact O-N 2.88Å; K1224-S1334 WeakPolarHBondContact CB-O 3.23Å; K1224-S1334 WeakPolarHBondContact O-CB 3.42Å; K1224-S1334 PolarHBondContact O-OG 3.47Å |
| 1225 | G | 74.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -80 | 166.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q1144 P1222 Y1227 V1332 S1334 | Q1144-G1225 PolarHBondContact NE2-O 3.44Å; P1222-G1225 PolarHBondContact O-N 2.83Å; G1225-Y1227 VanDerWaalsContact C-CE2 3.5Å; G1225-V1332 WeakPolarHBondContact CA-O 3.5Å; G1225-S1334 WeakPolarHBondContact CA-OG 3.42Å | ||
| 1226 | I | 79.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.2 | 177.8 | -54.1 | -179.4 | 0 | 0 | 0 | 108.4 | E1053 L1308 G1331 V1332 | E1053-I1226 WeakPolarHBondContact OE1-CG2 3.24Å; I1226-L1308 HydrophobicContact CG2-CD1 4.45Å; I1226-L1308 HydrophobicContact CG2-CD2 4.44Å; I1226-G1331 CarbonylContact O-C 3.55Å; I1226-G1331 WeakPolarHBondContact O-CA 3.49Å; I1226-V1332 PolarHBondContact N-O 3.11Å; I1226-V1332 PolarHBondContact O-N 2.71Å |
| 1227 | Y | 86.8 | Confident | 81.4 | Confident | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.1 | -168.6 | -54.7 | -86 | 0 | 0 | 0 | 111.5 | L1221 P1222 G1225 P1333 E1346 | L1221-Y1227 HydrophobicContact CB-CD2 4.11Å; L1221-Y1227 HydrophobicContact CB-CE2 3.76Å; L1221-Y1227 HydrophobicContact CD1-CD1 3.79Å; L1221-Y1227 HydrophobicContact CD1-CD2 3.71Å; L1221-Y1227 HydrophobicContact CD1-CE1 4.19Å; L1221-Y1227 HydrophobicContact CD1-CE2 4.1Å; L1221-Y1227 HydrophobicContact CD1-CG 3.55Å; P1222-Y1227 WeakPolarHBondContact CD-OH 3.25Å; G1225-Y1227 VanDerWaalsContact C-CE2 3.5Å; Y1227-P1333 HydrophobicContact CE1-CG 4.37Å; Y1227-P1333 WeakPolarHBondContact OH-CA 3.31Å; Y1227-P1333 WeakPolarHBondContact OH-CB 3.35Å; Y1227-P1333 WeakPolarHBondContact OH-CG 3.38Å; Y1227-E1346 WeakPolarHBondContact CD1-OE2 3.29Å |
| 1228 | L | 87.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -70.7 | 132 | 167.3 | -67.2 | 179.6 | 0 | 0 | 0 | 110.8 | V1049 W1232 L1233 L1236 L1308 L1309 I1330 R1360 | V1049-L1228 HydrophobicContact CG1-CD2 3.96Å; V1049-L1228 HydrophobicContact CG2-CD2 4.11Å; L1228-W1232 HydrophobicContact CB-CB 4.33Å; L1228-W1232 HydrophobicContact CD2-CB 3.95Å; L1228-L1233 HydrophobicContact CB-CD2 4.25Å; L1228-L1233 HydrophobicContact CB-CG 3.92Å; L1228-L1233 HydrophobicContact CD1-CD2 4.22Å; L1228-L1236 HydrophobicContact CD1-CD2 3.84Å; L1228-L1308 HydrophobicContact CD2-CD2 3.68Å; L1228-L1308 HydrophobicContact CD2-CG 4.42Å; L1228-L1308 HydrophobicContact CG-CD1 4.27Å; L1228-L1308 HydrophobicContact CG-CD2 4.09Å; L1228-L1308 HydrophobicContact CG-CG 4.35Å; L1228-L1309 HydrophobicContact CD1-CD2 3.94Å; L1228-I1330 HydrophobicContact CD1-CB 4.21Å; L1228-I1330 HydrophobicContact CD1-CG2 4.05Å; L1228-I1330 PolarHBondContact N-O 2.61Å; L1228-R1360 VanDerWaalsContact O-CZ 3.25Å; L1228-R1360 PolarHBondContact O-NE 3.08Å; L1228-R1360 PolarHBondContact O-NH2 3.4Å | ||
| 1229 | D | 83.7 | Confident | 81.9 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | trans | -74.1 | 178 | 170.9 | 79 | 25.6 | 0 | 0 | 0 | 112.9 | W1052 L1146 E1231 W1232 L1233 | W1052-D1229 WeakPolarHBondContact CZ2-OD2 3.3Å; L1146-D1229 HydrophobicContact CD2-CB 4.17Å; L1146-D1229 HydrophobicContact CG-CB 4.16Å; D1229-E1231 VanDerWaalsContact C-N 3.32Å; D1229-E1231 PolarHBondContact O-N 3.1Å; D1229-E1231 WeakPolarHBondContact OD1-CA 3.26Å; D1229-E1231 WeakPolarHBondContact OD1-CB 3.12Å; D1229-E1231 PolarHBondContact OD1-N 2.66Å; D1229-W1232 PolarHBondContact O-N 3.45Å; D1229-W1232 PolarHBondContact OD1-N 2.72Å; D1229-L1233 WeakPolarHBondContact O-CB 3.41Å; D1229-L1233 VanDerWaalsContact O-CG 3.29Å; D1229-L1233 WeakPolarHBondContact O-CG 3.42Å; D1229-L1233 PolarHBondContact O-N 3.12Å | ||
| 1230 | K | 84.3 | Confident | 81.7 | Confident | 119 Ų | 119 | 46.9 Ų | 46.9 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -35.3 | -177.9 | 175.1 | 169.1 | -179.6 | -175.5 | 0 | 113.6 | Q1234 R1360 | K1230-Q1234 WeakPolarHBondContact O-CB 3.46Å; K1230-Q1234 VanDerWaalsContact O-CG 3.26Å; K1230-Q1234 WeakPolarHBondContact O-CG 3.5Å; K1230-Q1234 PolarHBondContact O-N 3.45Å; K1230-R1360 WeakPolarHBondContact CB-O 3.38Å; K1230-R1360 WeakPolarHBondContact CD-O 3.45Å; K1230-R1360 WeakPolarHBondContact CG-O 3.4Å |
| 1231 | E | 82.9 | Confident | 81.5 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -76.2 | -42.2 | -178.2 | -74.6 | 158.5 | -141.2 | 0 | 0 | 110.6 | R1163 D1229 Q1234 K1235 | R1163-E1231 IonicContact CZ-OE1 2.59Å; R1163-E1231 VanDerWaalsContact CZ-OE1 3.25Å; R1163-E1231 IonicContact CZ-OE2 3.25Å; R1163-E1231 IonicContact NH1-OE1 2.85Å; R1163-E1231 PolarHBondContact NH1-OE1 3.08Å; R1163-E1231 IonicContact NH2-OE1 3.9Å; R1163-E1231 PolarHBondContact NH2-OE1 3.19Å; R1163-E1231 IonicContact NH2-OE2 2.87Å; R1163-E1231 PolarHBondContact NH2-OE2 2.7Å; D1229-E1231 VanDerWaalsContact C-N 3.32Å; D1229-E1231 PolarHBondContact O-N 3.1Å; D1229-E1231 WeakPolarHBondContact OD1-CA 3.26Å; D1229-E1231 WeakPolarHBondContact OD1-CB 3.12Å; D1229-E1231 PolarHBondContact OD1-N 2.66Å; E1231-Q1234 PolarHBondContact O-N 2.91Å; E1231-K1235 WeakPolarHBondContact O-CG 3.46Å; E1231-K1235 PolarHBondContact O-N 3.23Å |
| 1232 | W | 86.2 | Confident | 80.8 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -35.3 | 173.7 | -68.2 | 101.3 | 0 | 0 | 0 | 112.7 | F1045 Q1048 V1049 W1052 L1228 D1229 K1235 L1236 | F1045-W1232 HydrophobicContact CD2-CZ3 4.49Å; F1045-W1232 AromaticContact CE2-CE3 3.63Å; F1045-W1232 HydrophobicContact CE2-CE3 3.63Å; F1045-W1232 AromaticContact CE2-CZ3 3.98Å; F1045-W1232 HydrophobicContact CE2-CZ3 3.98Å; F1045-W1232 AromaticContact CZ-CE3 3.8Å; F1045-W1232 HydrophobicContact CZ-CE3 3.8Å; Q1048-W1232 HydrophobicContact CB-CH2 3.95Å; Q1048-W1232 HydrophobicContact CB-CZ3 3.92Å; Q1048-W1232 WeakPolarHBondContact O-CH2 3.43Å; V1049-W1232 HydrophobicContact CG2-CD2 4.05Å; V1049-W1232 HydrophobicContact CG2-CE3 3.51Å; V1049-W1232 HydrophobicContact CG2-CZ3 3.8Å; W1052-W1232 HydrophobicContact CB-CH2 4.24Å; W1052-W1232 HydrophobicContact CB-CZ2 3.53Å; W1052-W1232 AromaticContact CD1-CE2 3.95Å; W1052-W1232 AromaticContact CD1-CZ2 3.81Å; W1052-W1232 AromaticContact CD1-NE1 3.49Å; W1052-W1232 AromaticContact CD2-CD1 3.99Å; W1052-W1232 AromaticContact CD2-CE2 3.87Å; W1052-W1232 HydrophobicContact CD2-CZ2 4.22Å; W1052-W1232 AromaticContact CD2-NE1 3.23Å; W1052-W1232 AromaticContact CE2-CD1 3.8Å; W1052-W1232 AromaticContact CE2-NE1 3.19Å; W1052-W1232 AromaticContact CE3-NE1 3.86Å; W1052-W1232 AromaticContact CG-CE2 3.69Å; W1052-W1232 AromaticContact CG-CZ2 3.55Å; W1052-W1232 HydrophobicContact CG-CZ2 3.55Å; W1052-W1232 AromaticContact CG-NE1 3.43Å; W1052-W1232 AromaticContact CZ2-CD1 3.89Å; W1052-W1232 AromaticContact CZ2-NE1 3.77Å; W1052-W1232 AromaticContact NE1-NE1 3.33Å; L1228-W1232 HydrophobicContact CB-CB 4.33Å; L1228-W1232 HydrophobicContact CD2-CB 3.95Å; D1229-W1232 PolarHBondContact O-N 3.45Å; D1229-W1232 PolarHBondContact OD1-N 2.72Å; W1232-K1235 HydrophobicContact CD2-CD 4.22Å; W1232-K1235 HydrophobicContact CE3-CD 3.63Å; W1232-K1235 HydrophobicContact CZ3-CD 3.82Å; W1232-K1235 PolarHBondContact O-N 3.4Å; W1232-L1236 WeakPolarHBondContact O-CB 3.44Å; W1232-L1236 PolarHBondContact O-N 3.01Å |
| 1233 | L | 87 | Confident | 80 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 170.8 | -79 | 167.9 | 0 | 0 | 0 | 112.7 | L1228 D1229 L1236 K1237 I1330 I1359 R1360 | L1228-L1233 HydrophobicContact CB-CD2 4.25Å; L1228-L1233 HydrophobicContact CB-CG 3.92Å; L1228-L1233 HydrophobicContact CD1-CD2 4.22Å; D1229-L1233 WeakPolarHBondContact O-CB 3.41Å; D1229-L1233 VanDerWaalsContact O-CG 3.29Å; D1229-L1233 WeakPolarHBondContact O-CG 3.42Å; D1229-L1233 PolarHBondContact O-N 3.12Å; L1233-L1236 PolarHBondContact O-N 3.44Å; L1233-K1237 VanDerWaalsContact O-CB 3.24Å; L1233-K1237 WeakPolarHBondContact O-CB 3.3Å; L1233-K1237 PolarHBondContact O-N 3.31Å; L1233-I1330 HydrophobicContact CD1-CD1 4.49Å; L1233-I1330 HydrophobicContact CD2-CB 3.83Å; L1233-I1330 HydrophobicContact CD2-CD1 3.65Å; L1233-I1330 HydrophobicContact CD2-CG1 4.35Å; L1233-I1330 HydrophobicContact CD2-CG2 3.72Å; L1233-I1359 HydrophobicContact CD1-CG2 4.49Å; L1233-R1360 HydrophobicContact CD1-CB 3.81Å; L1233-R1360 HydrophobicContact CD1-CG 4.45Å |
| 1234 | Q | 85.3 | Confident | 79 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 174.8 | -76 | 178.6 | -4.3 | 0 | 0 | 112.2 | K1230 E1231 S1238 | K1230-Q1234 WeakPolarHBondContact O-CB 3.46Å; K1230-Q1234 VanDerWaalsContact O-CG 3.26Å; K1230-Q1234 WeakPolarHBondContact O-CG 3.5Å; K1230-Q1234 PolarHBondContact O-N 3.45Å; E1231-Q1234 PolarHBondContact O-N 2.91Å; Q1234-S1238 WeakPolarHBondContact O-CB 3.26Å; Q1234-S1238 PolarHBondContact O-N 3.1Å |
| 1235 | K | 85.8 | Confident | 78 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 170.3 | -69.7 | 176.7 | -175.3 | 178.6 | 0 | 111.4 | F1045 E1231 W1232 K1237 S1238 L1239 | F1045-K1235 HydrophobicContact CE2-CB 3.65Å; F1045-K1235 HydrophobicContact CE2-CD 4.2Å; F1045-K1235 HydrophobicContact CZ-CB 4.24Å; E1231-K1235 WeakPolarHBondContact O-CG 3.46Å; E1231-K1235 PolarHBondContact O-N 3.23Å; W1232-K1235 HydrophobicContact CD2-CD 4.22Å; W1232-K1235 HydrophobicContact CE3-CD 3.63Å; W1232-K1235 HydrophobicContact CZ3-CD 3.82Å; W1232-K1235 PolarHBondContact O-N 3.4Å; K1235-K1237 VanDerWaalsContact C-N 3.35Å; K1235-K1237 PolarHBondContact O-N 2.87Å; K1235-S1238 CarbonylContact O-C 3.51Å; K1235-S1238 WeakPolarHBondContact O-CA 3.47Å; K1235-S1238 WeakPolarHBondContact O-CB 3.41Å; K1235-S1238 PolarHBondContact O-N 3.11Å; K1235-S1238 PolarHBondContact O-OG 2.98Å; K1235-L1239 PolarHBondContact O-N 2.69Å; K1235-L1239 VanDerWaalsContact O-N 3.17Å |
| 1236 | L | 87.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | 179.5 | -179.9 | 62 | 0 | 0 | 0 | 111.2 | L1042 F1045 L1228 W1232 L1233 S1238 L1239 Y1240 L1309 I1328 I1330 | L1042-L1236 HydrophobicContact CD2-CD1 4.3Å; F1045-L1236 HydrophobicContact CD1-CD1 4.13Å; F1045-L1236 HydrophobicContact CE1-CB 3.92Å; F1045-L1236 HydrophobicContact CE1-CD1 3.84Å; F1045-L1236 HydrophobicContact CE1-CG 4.35Å; F1045-L1236 HydrophobicContact CZ-CB 3.82Å; L1228-L1236 HydrophobicContact CD1-CD2 3.84Å; W1232-L1236 WeakPolarHBondContact O-CB 3.44Å; W1232-L1236 PolarHBondContact O-N 3.01Å; L1233-L1236 PolarHBondContact O-N 3.44Å; L1236-S1238 VanDerWaalsContact C-N 3.28Å; L1236-S1238 PolarHBondContact O-N 3.43Å; L1236-L1239 PolarHBondContact O-N 2.92Å; L1236-Y1240 VanDerWaalsContact O-CB 3.31Å; L1236-Y1240 WeakPolarHBondContact O-CB 3.47Å; L1236-Y1240 PolarHBondContact O-N 3.33Å; L1236-L1309 HydrophobicContact CD1-CD2 4.45Å; L1236-L1309 HydrophobicContact CD2-CD2 4.21Å; L1236-I1328 HydrophobicContact CD1-CD1 4.04Å; L1236-I1328 HydrophobicContact CD2-CG2 4.24Å; L1236-I1330 HydrophobicContact CD2-CG2 3.7Å |
| 1237 | K | 83.9 | Confident | 74.5 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.8 | -44.5 | 173.6 | -174.4 | 176.2 | -176.8 | 172.2 | 0 | 112 | L1233 K1235 L1239 L1241 M1348 S1362 | L1233-K1237 VanDerWaalsContact O-CB 3.24Å; L1233-K1237 WeakPolarHBondContact O-CB 3.3Å; L1233-K1237 PolarHBondContact O-N 3.31Å; K1235-K1237 VanDerWaalsContact C-N 3.35Å; K1235-K1237 PolarHBondContact O-N 2.87Å; K1237-L1239 PolarHBondContact O-N 3.34Å; K1237-L1241 HydrophobicContact CG-CD1 3.77Å; K1237-L1241 HydrophobicContact CG-CG 4.32Å; K1237-L1241 WeakPolarHBondContact O-CB 3.4Å; K1237-L1241 PolarHBondContact O-N 3.22Å; K1237-M1348 HydrophobicContact CB-CE 3.95Å; K1237-M1348 HydrophobicContact CD-CE 4.41Å; K1237-M1348 HydrophobicContact CG-CE 3.93Å; K1237-S1362 WeakPolarHBondContact CD-O 3.32Å; K1237-S1362 VanDerWaalsContact CE-O 3.28Å; K1237-S1362 WeakPolarHBondContact CE-O 3.44Å; K1237-S1362 PolarHBondContact NZ-O 2.94Å |
| 1238 | S | 82.7 | Confident | 71.9 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.4 | -9.7 | 179.8 | 84.4 | 0 | 0 | 0 | 0 | 114.8 | Q1234 K1235 L1236 K1242 | Q1234-S1238 WeakPolarHBondContact O-CB 3.26Å; Q1234-S1238 PolarHBondContact O-N 3.1Å; K1235-S1238 CarbonylContact O-C 3.51Å; K1235-S1238 WeakPolarHBondContact O-CA 3.47Å; K1235-S1238 WeakPolarHBondContact O-CB 3.41Å; K1235-S1238 PolarHBondContact O-N 3.11Å; K1235-S1238 PolarHBondContact O-OG 2.98Å; L1236-S1238 VanDerWaalsContact C-N 3.28Å; L1236-S1238 PolarHBondContact O-N 3.43Å; S1238-K1242 WeakPolarHBondContact O-CD 3.37Å; S1238-K1242 WeakPolarHBondContact O-CE 3.36Å; S1238-K1242 WeakPolarHBondContact O-CG 3.29Å; S1238-K1242 PolarHBondContact O-NZ 3.45Å |
| 1239 | L | 83.4 | Confident | 69.4 | Low | 62 Ų | 62 | 74.3 Ų | 74.3 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -103.7 | -50.8 | 174.5 | -66.2 | 171.2 | 0 | 0 | 0 | 110.8 | F1045 K1235 L1236 K1237 | F1045-L1239 HydrophobicContact CB-CD1 4.18Å; F1045-L1239 HydrophobicContact CD2-CD1 3.66Å; F1045-L1239 HydrophobicContact CE2-CD1 4.31Å; F1045-L1239 HydrophobicContact CG-CD1 4.03Å; K1235-L1239 PolarHBondContact O-N 2.69Å; K1235-L1239 VanDerWaalsContact O-N 3.17Å; L1236-L1239 PolarHBondContact O-N 2.92Å; K1237-L1239 PolarHBondContact O-N 3.34Å |
| 1240 | Y | 78.2 | Confident | 67.4 | Low | 9 Ų | 9 | 77 Ų | 77 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74 | -34.9 | -171.3 | -174.4 | -130 | 0 | 0 | 0 | 114.3 | S1038 L1236 G1327 I1328 C1350 | S1038-Y1240 VanDerWaalsContact OG-CE2 3.27Å; S1038-Y1240 WeakPolarHBondContact OG-CE2 3.39Å; L1236-Y1240 VanDerWaalsContact O-CB 3.31Å; L1236-Y1240 WeakPolarHBondContact O-CB 3.47Å; L1236-Y1240 PolarHBondContact O-N 3.33Å; Y1240-G1327 WeakPolarHBondContact OH-CA 3.35Å; Y1240-I1328 HydrophobicContact CD1-CD1 3.9Å; Y1240-I1328 HydrophobicContact CD2-CD1 3.47Å; Y1240-I1328 VanDerWaalsContact CD2-CD1 3.47Å; Y1240-I1328 HydrophobicContact CD2-CG1 4.42Å; Y1240-I1328 HydrophobicContact CE1-CD1 3.92Å; Y1240-I1328 HydrophobicContact CE1-CG1 4.12Å; Y1240-I1328 HydrophobicContact CE2-CD1 3.48Å; Y1240-I1328 VanDerWaalsContact CE2-CD1 3.48Å; Y1240-I1328 HydrophobicContact CE2-CG1 3.96Å; Y1240-I1328 HydrophobicContact CG-CD1 3.67Å; Y1240-C1350 HydrophobicContact CE1-CB 3.98Å |
| 1241 | L | 77.1 | Confident | 65.5 | Low | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.5 | -179.3 | -54.7 | -172.5 | 0 | 0 | 0 | 113.7 | K1237 D1243 M1244 M1348 F1365 | K1237-L1241 HydrophobicContact CG-CD1 3.77Å; K1237-L1241 HydrophobicContact CG-CG 4.32Å; K1237-L1241 WeakPolarHBondContact O-CB 3.4Å; K1237-L1241 PolarHBondContact O-N 3.22Å; L1241-D1243 VanDerWaalsContact C-N 3.3Å; L1241-D1243 PolarHBondContact O-N 2.91Å; L1241-M1244 PolarHBondContact O-N 3.25Å; L1241-M1348 HydrophobicContact CD1-CE 4.08Å; L1241-M1348 HydrophobicContact CG-CE 4.41Å; L1241-F1365 HydrophobicContact CD1-CD1 3.84Å; L1241-F1365 HydrophobicContact CD1-CD2 4.35Å; L1241-F1365 HydrophobicContact CD1-CE1 3.49Å; L1241-F1365 VanDerWaalsContact CD1-CE1 3.49Å; L1241-F1365 HydrophobicContact CD1-CE2 4.06Å; L1241-F1365 HydrophobicContact CD1-CG 4.26Å; L1241-F1365 HydrophobicContact CD1-CZ 3.62Å; L1241-F1365 HydrophobicContact CD2-CD1 4.4Å; L1241-F1365 HydrophobicContact CD2-CE1 4.4Å |
| 1242 | K | 64.5 | Low | 63.9 | Low | 137 Ų | 137 | 70.9 Ų | 70.9 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.5 | -162.1 | -143.1 | -178.8 | -151.5 | 130.5 | 0 | 115 | S1238 | S1238-K1242 WeakPolarHBondContact O-CD 3.37Å; S1238-K1242 WeakPolarHBondContact O-CE 3.36Å; S1238-K1242 WeakPolarHBondContact O-CG 3.29Å; S1238-K1242 PolarHBondContact O-NZ 3.45Å |
| 1243 | D | 55.3 | Low | 62.2 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -8 | -174.8 | -66.3 | -52.8 | 0 | 0 | 0 | 114.3 | L1241 D1245 | L1241-D1243 VanDerWaalsContact C-N 3.3Å; L1241-D1243 PolarHBondContact O-N 2.91Å; D1243-D1245 PolarHBondContact O-N 2.93Å |
| 1244 | M | 54.1 | Low | 60.6 | Low | 52 Ų | 52 | 75.6 Ų | 75.6 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -78.4 | -17.4 | -166.5 | -72.8 | -69.8 | 171 | 0 | 0 | 115.4 | L1241 K1246 | L1241-M1244 PolarHBondContact O-N 3.25Å; M1244-K1246 PolarHBondContact O-N 3.44Å |
| 1245 | D | 48.2 | Very low | 59.1 | Low | 160 Ų | 160 | 78 Ų | 78 | 86% | 0.856 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -64.7 | -1.9 | -177.1 | -82.7 | -14.3 | 0 | 0 | 0 | 115.3 | D1243 | D1243-D1245 PolarHBondContact O-N 2.93Š|
| 1246 | K | 44.5 | Very low | 57.7 | Low | 189 Ų | 189 | 77.3 Ų | 77.3 | 82% | 0.822 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -114.2 | -8.8 | -171.1 | -70.6 | 176 | -177.4 | 165.9 | 0 | 115.9 | M1244 | M1244-K1246 PolarHBondContact O-N 3.44Š|
| 1247 | T | 36 | Very low | 56.3 | Low | 90 Ų | 90 | 77.7 Ų | 77.7 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | trans | -137.4 | 76.1 | -177.2 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | C1249 | T1247-C1249 PolarHBondContact O-N 3.45Š| ||
| 1248 | V | 31.7 | Very low | 55.2 | Low | 127 Ų | 127 | 79.4 Ų | 79.4 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | trans | -70.1 | 94.8 | 169.3 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1249 | C | 34.9 | Very low | 54.2 | Low | 51 Ų | 51 | 84.1 Ų | 84.1 | 35% | 0.345 | 43% | 0.43 | S | S | . | . | trans | -124.4 | 104.6 | 165.5 | -61.1 | 0 | 0 | 0 | 0 | 106.4 | T1247 I1256 R1351 | T1247-C1249 PolarHBondContact O-N 3.45Å; C1249-I1256 HydrophobicContact CB-CD1 4.32Å; C1249-I1256 VanDerWaalsContact SG-CD1 3.55Å; C1249-R1351 PolarHBondContact O-NH1 3.26Å; C1249-R1351 PolarHBondContact O-NH2 3.19Å | ||
| 1250 | E | 41.8 | Very low | 53.5 | Low | 66 Ų | 66 | 85.3 Ų | 85.3 | 31% | 0.308 | 43% | 0.432 | S | S | . | . | trans | -69.1 | 153 | 176.1 | -74.1 | 166.2 | 125.4 | 0 | 0 | 109.9 | V1252 D1253 Y1564 | E1250-V1252 PolarHBondContact O-N 2.9Å; E1250-D1253 PolarHBondContact O-N 3.3Å; E1250-D1253 VanDerWaalsContact O-N 3.1Å; E1250-Y1564 WeakPolarHBondContact CB-OH 3.46Å; E1250-Y1564 VanDerWaalsContact CD-OH 3.29Å; E1250-Y1564 HydrophobicContact CG-CE1 4.46Å; E1250-Y1564 WeakPolarHBondContact OE1-CE1 3.47Å; E1250-Y1564 WeakPolarHBondContact OE2-CE1 3.33Å; E1250-Y1564 VanDerWaalsContact OE2-CZ 3.26Å; E1250-Y1564 PolarHBondContact OE2-OH 2.95Å | ||
| 1251 | P | 44.5 | Very low | 53.6 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | -160.2 | -27.1 | 37 | 0 | 0 | 0 | 116.2 | ||
| 1252 | V | 50.2 | Low | 53.8 | Low | 21 Ų | 21 | 90.8 Ų | 90.8 | 13% | 0.127 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 49.6 | 174.1 | -151.2 | 0 | 0 | 0 | 0 | 112 | E1250 H1254 W1257 P1562 | E1250-V1252 PolarHBondContact O-N 2.9Å; V1252-H1254 WeakPolarHBondContact CG1-CE1 3.45Å; V1252-H1254 WeakPolarHBondContact CG1-NE2 3.45Å; V1252-H1254 PolarHBondContact O-CD2 3.46Å; V1252-H1254 PolarHBondContact O-N 3.49Å; V1252-W1257 HydrophobicContact CG1-CE3 3.52Å; V1252-W1257 HydrophobicContact CG1-CH2 4.42Å; V1252-W1257 HydrophobicContact CG1-CZ3 3.35Å; V1252-P1562 HydrophobicContact CB-CB 3.65Å; V1252-P1562 HydrophobicContact CB-CG 3.95Å; V1252-P1562 HydrophobicContact CG2-CB 3.67Å; V1252-P1562 HydrophobicContact CG2-CG 4.43Å |
| 1253 | D | 49.8 | Very low | 54.8 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -66.7 | 90.5 | 154 | -178.4 | 3.6 | 0 | 0 | 0 | 109.5 | E1250 Q1255 I1256 W1257 | E1250-D1253 PolarHBondContact O-N 3.3Å; E1250-D1253 VanDerWaalsContact O-N 3.1Å; D1253-Q1255 PolarHBondContact O-N 3.35Å; D1253-Q1255 VanDerWaalsContact OD1-CB 3.22Å; D1253-Q1255 WeakPolarHBondContact OD1-CB 3.43Å; D1253-Q1255 WeakPolarHBondContact OD1-CG 3.29Å; D1253-Q1255 PolarHBondContact OD1-N 2.89Å; D1253-I1256 PolarHBondContact O-N 2.91Å; D1253-I1256 VanDerWaalsContact O-N 3.11Å; D1253-I1256 WeakPolarHBondContact OD2-CD1 3.33Å; D1253-I1256 WeakPolarHBondContact OD2-CG1 3.48Å; D1253-W1257 PolarHBondContact O-N 2.97Å; D1253-W1257 VanDerWaalsContact O-N 3.16Å | ||
| 1254 | H | 53.4 | Low | 56.3 | Low | 61 Ų | 61 | 85.9 Ų | 85.9 | 28% | 0.282 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.3 | -24.5 | 177.4 | -63.5 | -87.8 | 0 | 0 | 0 | 112.8 | V1252 I1256 W1257 N1258 | V1252-H1254 WeakPolarHBondContact CG1-CE1 3.45Å; V1252-H1254 WeakPolarHBondContact CG1-NE2 3.45Å; V1252-H1254 PolarHBondContact O-CD2 3.46Å; V1252-H1254 PolarHBondContact O-N 3.49Å; H1254-I1256 VanDerWaalsContact C-N 3.33Å; H1254-I1256 PolarHBondContact O-N 3.41Å; H1254-W1257 AromaticContact CE1-CZ3 3.68Å; H1254-W1257 AromaticContact ND1-CE3 3.48Å; H1254-W1257 AromaticContact ND1-CZ3 3.47Å; H1254-W1257 WeakPolarHBondContact ND1-CZ3 3.47Å; H1254-N1258 VanDerWaalsContact O-CB 3.24Å; H1254-N1258 WeakPolarHBondContact O-CB 3.14Å; H1254-N1258 VanDerWaalsContact O-CG 3.26Å; H1254-N1258 PolarHBondContact O-N 3.03Å; H1254-N1258 PolarHBondContact O-ND2 3.25Å |
| 1255 | Q | 53.8 | Low | 57.6 | Low | 147 Ų | 147 | 83.9 Ų | 83.9 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.1 | -25 | -179.3 | -52.7 | -171.9 | 25.4 | 0 | 0 | 113.4 | D1253 K1259 | D1253-Q1255 PolarHBondContact O-N 3.35Å; D1253-Q1255 VanDerWaalsContact OD1-CB 3.22Å; D1253-Q1255 WeakPolarHBondContact OD1-CB 3.43Å; D1253-Q1255 WeakPolarHBondContact OD1-CG 3.29Å; D1253-Q1255 PolarHBondContact OD1-N 2.89Å; Q1255-K1259 WeakPolarHBondContact O-CD 3.44Å; Q1255-K1259 WeakPolarHBondContact O-CE 3.14Å; Q1255-K1259 PolarHBondContact O-NZ 3.05Å |
| 1256 | I | 56.2 | Low | 59 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -90.3 | -43.7 | 173.4 | -64 | 173.8 | 0 | 0 | 0 | 109.3 | P1034 C1249 D1253 H1254 N1258 K1259 | P1034-I1256 HydrophobicContact CG-CG2 4.33Å; C1249-I1256 HydrophobicContact CB-CD1 4.32Å; C1249-I1256 VanDerWaalsContact SG-CD1 3.55Å; D1253-I1256 PolarHBondContact O-N 2.91Å; D1253-I1256 VanDerWaalsContact O-N 3.11Å; D1253-I1256 WeakPolarHBondContact OD2-CD1 3.33Å; D1253-I1256 WeakPolarHBondContact OD2-CG1 3.48Å; H1254-I1256 VanDerWaalsContact C-N 3.33Å; H1254-I1256 PolarHBondContact O-N 3.41Å; I1256-N1258 PolarHBondContact O-N 3.17Å; I1256-K1259 WeakPolarHBondContact O-CB 3.37Å; I1256-K1259 PolarHBondContact O-N 3.03Å |
| 1257 | W | 57.5 | Low | 60.4 | Low | 9 Ų | 9 | 69.5 Ų | 69.5 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | -177.8 | -174.1 | 23.4 | 0 | 0 | 0 | 113 | E1017 R1031 Y1033 V1252 D1253 H1254 K1259 K1260 | E1017-W1257 HydrophobicContact CB-CH2 4.36Å; E1017-W1257 HydrophobicContact CB-CZ2 3.67Å; E1017-W1257 HydrophobicContact CG-CZ2 4.22Å; E1017-W1257 WeakPolarHBondContact OE1-CH2 3.17Å; E1017-W1257 WeakPolarHBondContact OE2-CH2 3.37Å; E1017-W1257 WeakPolarHBondContact OE2-CZ2 3.22Å; R1031-W1257 VanDerWaalsContact CD-CD1 3.48Å; Y1033-W1257 HydrophobicContact CD1-CG 4.44Å; Y1033-W1257 AromaticContact CE1-CD2 3.86Å; Y1033-W1257 HydrophobicContact CE1-CD2 3.86Å; Y1033-W1257 AromaticContact CE1-CE2 3.66Å; Y1033-W1257 HydrophobicContact CE1-CE3 4.3Å; Y1033-W1257 HydrophobicContact CE1-CG 4.25Å; Y1033-W1257 HydrophobicContact CE1-CH2 4.45Å; Y1033-W1257 AromaticContact CE1-CZ2 3.99Å; Y1033-W1257 HydrophobicContact CE1-CZ2 3.99Å; Y1033-W1257 AromaticContact CE1-NE1 3.87Å; Y1033-W1257 HydrophobicContact CE2-CZ2 4.21Å; Y1033-W1257 AromaticContact CZ-CE2 3.7Å; Y1033-W1257 AromaticContact CZ-CZ2 3.56Å; Y1033-W1257 VanDerWaalsContact OH-CH2 3.29Å; Y1033-W1257 WeakPolarHBondContact OH-CH2 3.39Å; Y1033-W1257 WeakPolarHBondContact OH-CZ2 3.26Å; V1252-W1257 HydrophobicContact CG1-CE3 3.52Å; V1252-W1257 HydrophobicContact CG1-CH2 4.42Å; V1252-W1257 HydrophobicContact CG1-CZ3 3.35Å; D1253-W1257 PolarHBondContact O-N 2.97Å; D1253-W1257 VanDerWaalsContact O-N 3.16Å; H1254-W1257 AromaticContact CE1-CZ3 3.68Å; H1254-W1257 AromaticContact ND1-CE3 3.48Å; H1254-W1257 AromaticContact ND1-CZ3 3.47Å; H1254-W1257 WeakPolarHBondContact ND1-CZ3 3.47Å; W1257-K1259 PolarHBondContact O-N 2.93Å; W1257-K1260 PolarHBondContact O-N 2.77Å |
| 1258 | N | 61.9 | Low | 62.1 | Low | 100 Ų | 100 | 66.7 Ų | 66.7 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.2 | 179.8 | -75.7 | -24.3 | 0 | 0 | 0 | 114.8 | H1254 I1256 | H1254-N1258 VanDerWaalsContact O-CB 3.24Å; H1254-N1258 WeakPolarHBondContact O-CB 3.14Å; H1254-N1258 VanDerWaalsContact O-CG 3.26Å; H1254-N1258 PolarHBondContact O-N 3.03Å; H1254-N1258 PolarHBondContact O-ND2 3.25Å; I1256-N1258 PolarHBondContact O-N 3.17Å |
| 1259 | K | 61.2 | Low | 64.1 | Low | 160 Ų | 160 | 62.6 Ų | 62.6 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11 | 177.6 | -65.7 | 169.1 | -179 | 147.7 | 0 | 113.6 | Q1255 I1256 W1257 | Q1255-K1259 WeakPolarHBondContact O-CD 3.44Å; Q1255-K1259 WeakPolarHBondContact O-CE 3.14Å; Q1255-K1259 PolarHBondContact O-NZ 3.05Å; I1256-K1259 WeakPolarHBondContact O-CB 3.37Å; I1256-K1259 PolarHBondContact O-N 3.03Å; W1257-K1259 PolarHBondContact O-N 2.93Å |
| 1260 | K | 68.7 | Low | 66 | Low | 86 Ų | 86 | 60.2 Ų | 60.2 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -87.7 | 130.7 | 174.3 | -83.5 | -169.5 | 167.9 | -161.4 | 0 | 111.4 | R1031 F1032 Y1033 W1257 | R1031-K1260 HydrophobicContact CG-CB 4.45Å; F1032-K1260 WeakPolarHBondContact O-CD 3.33Å; Y1033-K1260 PolarHBondContact O-NZ 3.04Å; W1257-K1260 PolarHBondContact O-N 2.77Å |
| 1261 | P | 79.8 | Confident | 67.4 | Low | 103 Ų | 103 | 57.4 Ų | 57.4 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 147.9 | 172.6 | 29.9 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 1262 | P | 82.6 | Confident | 68.6 | Low | 49 Ų | 49 | 54.6 Ų | 54.6 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 144 | 173.6 | 30.8 | -34.4 | 0 | 0 | 0 | 111.5 | I1019 M1029 | I1019-P1262 HydrophobicContact CG1-CB 4.29Å; M1029-P1262 HydrophobicContact CB-CB 4.4Å |
| 1263 | V | 85.4 | Confident | 69.2 | Low | 73 Ų | 73 | 54.1 Ų | 54.1 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.4 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 110 | M1029 V1030 F1032 C1265 | M1029-V1263 WeakPolarHBondContact CA-O 3.36Å; V1030-V1263 PolarHBondContact N-O 3.18Å; V1030-V1263 PolarHBondContact O-N 3.27Å; F1032-V1263 HydrophobicContact CD2-CB 4.2Å; F1032-V1263 HydrophobicContact CD2-CG2 4.11Å; F1032-V1263 HydrophobicContact CE2-CB 4.01Å; F1032-V1263 HydrophobicContact CE2-CG1 4.37Å; F1032-V1263 HydrophobicContact CE2-CG2 4.39Å; V1263-C1265 PolarHBondContact O-N 3.13Å; V1263-C1265 VanDerWaalsContact O-N 3.13Å; V1263-C1265 PolarHBondContact O-SG 3.19Å; V1263-C1265 VanDerWaalsContact O-SG 3.39Å |
| 1264 | N | 85.4 | Confident | 69.4 | Low | 74 Ų | 74 | 52.7 Ų | 52.7 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 91.4 | 178.6 | -90.5 | -85.9 | 0 | 0 | 0 | 111.4 | K1027 | K1027-N1264 HydrophobicContact CD-CB 4.05Å |
| 1265 | C | 81.5 | Confident | 69.2 | Low | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 155.3 | -175.8 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | V1028 V1030 F1032 V1263 L1270 | V1028-C1265 PolarHBondContact N-O 3.34Å; V1028-C1265 WeakPolarHBondContact O-CB 3.5Å; V1028-C1265 PolarHBondContact O-N 2.91Å; V1030-C1265 HydrophobicContact CG2-CB 4.23Å; F1032-C1265 VanDerWaalsContact CE2-SG 3.54Å; F1032-C1265 VanDerWaalsContact CZ-SG 3.53Å; V1263-C1265 PolarHBondContact O-N 3.13Å; V1263-C1265 VanDerWaalsContact O-N 3.13Å; V1263-C1265 PolarHBondContact O-SG 3.19Å; V1263-C1265 VanDerWaalsContact O-SG 3.39Å; C1265-L1270 HydrophobicContact CB-CD1 4.04Å; C1265-L1270 HydrophobicContact CB-CD2 4.04Å; C1265-L1270 HydrophobicContact CB-CG 4.11Å |
| 1266 | S | 78.5 | Confident | 68.9 | Low | 44 Ų | 44 | 47.9 Ų | 47.9 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | trans | -79.4 | 141.1 | 164.9 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | T1268 T1269 | S1266-T1268 PolarHBondContact O-N 2.88Å; S1266-T1268 VanDerWaalsContact O-N 3.16Å; S1266-T1268 PolarHBondContact OG-N 3.43Å; S1266-T1268 VanDerWaalsContact OG-N 3.12Å; S1266-T1268 PolarHBondContact OG-OG1 3.25Å; S1266-T1269 WeakPolarHBondContact CB-OG1 3.47Å; S1266-T1269 PolarHBondContact N-OG1 3.23Å; S1266-T1269 VanDerWaalsContact N-OG1 3.16Å; S1266-T1269 PolarHBondContact O-N 3.01Å; S1266-T1269 PolarHBondContact O-OG1 3.47Å | ||
| 1267 | P | 74.8 | Confident | 68.5 | Low | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -50.3 | -34.8 | 164 | -24.8 | 33.3 | 0 | 0 | 0 | 112.1 | F895 L994 F998 G1026 V1028 T1269 L1270 | F895-P1267 HydrophobicContact CE1-CB 3.99Å; F895-P1267 HydrophobicContact CE1-CG 3.87Å; F895-P1267 HydrophobicContact CZ-CB 4.46Å; F895-P1267 HydrophobicContact CZ-CG 3.83Å; L994-P1267 HydrophobicContact CD1-CG 3.84Å; L994-P1267 HydrophobicContact CD2-CB 3.85Å; L994-P1267 HydrophobicContact CD2-CG 3.5Å; L994-P1267 HydrophobicContact CG-CG 4.34Å; F998-P1267 HydrophobicContact CE2-CB 4Å; F998-P1267 HydrophobicContact CZ-CB 4.38Å; G1026-P1267 WeakPolarHBondContact O-CD 3.39Å; G1026-P1267 WeakPolarHBondContact O-CG 3.26Å; V1028-P1267 HydrophobicContact CG2-CG 4.11Å; P1267-T1269 PolarHBondContact O-N 2.75Å; P1267-L1270 PolarHBondContact O-N 2.84Å |
| 1268 | T | 69.7 | Low | 68.4 | Low | 31 Ų | 31 | 50.8 Ų | 50.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -77.2 | 7.9 | 177.9 | 75.2 | 0 | 0 | 0 | 0 | 114.3 | S1266 P1282 S1283 | S1266-T1268 PolarHBondContact O-N 2.88Å; S1266-T1268 VanDerWaalsContact O-N 3.16Å; S1266-T1268 PolarHBondContact OG-N 3.43Å; S1266-T1268 VanDerWaalsContact OG-N 3.12Å; S1266-T1268 PolarHBondContact OG-OG1 3.25Å; T1268-P1282 WeakPolarHBondContact O-CB 3.32Å; T1268-S1283 WeakPolarHBondContact CG2-OG 3.14Å |
| 1269 | T | 74.5 | Confident | 68.4 | Low | 41 Ų | 41 | 47.1 Ų | 47.1 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -121.1 | 3 | 173.8 | 50 | 0 | 0 | 0 | 0 | 112.7 | L1007 A1008 S1266 P1267 | L1007-T1269 PolarHBondContact N-O 2.87Å; A1008-T1269 HydrophobicContact CB-CG2 4.47Å; S1266-T1269 WeakPolarHBondContact CB-OG1 3.47Å; S1266-T1269 PolarHBondContact N-OG1 3.23Å; S1266-T1269 VanDerWaalsContact N-OG1 3.16Å; S1266-T1269 PolarHBondContact O-N 3.01Å; S1266-T1269 PolarHBondContact O-OG1 3.47Å; P1267-T1269 PolarHBondContact O-N 2.75Å |
| 1270 | L | 74.8 | Confident | 68.7 | Low | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.6 | -178.4 | -61.4 | 175.9 | 0 | 0 | 0 | 110.3 | F998 V1004 F1005 V1028 V1030 F1032 C1265 P1267 P1282 | F998-L1270 HydrophobicContact CD1-CD1 4.31Å; F998-L1270 HydrophobicContact CE1-CB 3.87Å; F998-L1270 HydrophobicContact CE1-CD1 4.01Å; F998-L1270 HydrophobicContact CZ-CB 4.3Å; V1004-L1270 HydrophobicContact CB-CD2 4.41Å; V1004-L1270 HydrophobicContact CG2-CD1 4.46Å; V1004-L1270 HydrophobicContact CG2-CD2 4.04Å; F1005-L1270 WeakPolarHBondContact O-CA 3.45Å; V1028-L1270 HydrophobicContact CB-CD1 3.77Å; V1028-L1270 HydrophobicContact CG1-CD1 3.92Å; V1028-L1270 HydrophobicContact CG2-CD1 4.16Å; V1030-L1270 HydrophobicContact CG2-CD1 3.68Å; V1030-L1270 HydrophobicContact CG2-CD2 4.05Å; F1032-L1270 HydrophobicContact CZ-CD2 4.29Å; C1265-L1270 HydrophobicContact CB-CD1 4.04Å; C1265-L1270 HydrophobicContact CB-CD2 4.04Å; C1265-L1270 HydrophobicContact CB-CG 4.11Å; P1267-L1270 PolarHBondContact O-N 2.84Å; L1270-P1282 WeakPolarHBondContact O-CB 3.3Å |
| 1271 | F | 72.4 | Confident | 68.5 | Low | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.7 | 170.8 | 169.8 | -98.6 | 0 | 0 | 0 | 110 | F1005 L1007 Y1281 I1315 | F1005-F1271 HydrophobicContact CB-CB 4.39Å; F1005-F1271 HydrophobicContact CB-CD1 4.26Å; F1005-F1271 AromaticContact CD2-CD1 3.99Å; F1005-F1271 HydrophobicContact CD2-CD1 3.99Å; F1005-F1271 HydrophobicContact CD2-CE1 4.5Å; F1005-F1271 HydrophobicContact CG-CD1 4.43Å; F1005-F1271 PolarHBondContact N-O 3.46Å; F1005-F1271 PolarHBondContact O-N 3.2Å; L1007-F1271 HydrophobicContact CD1-CB 4.48Å; L1007-F1271 HydrophobicContact CG-CB 4.34Å; F1271-Y1281 HydrophobicContact CD2-CD1 4Å; F1271-Y1281 AromaticContact CE2-CD1 3.81Å; F1271-Y1281 HydrophobicContact CE2-CD1 3.81Å; F1271-Y1281 AromaticContact CE2-CE1 3.94Å; F1271-Y1281 HydrophobicContact CE2-CE1 3.94Å; F1271-I1315 HydrophobicContact CE1-CB 4.24Å; F1271-I1315 HydrophobicContact CE1-CD1 3.72Å; F1271-I1315 HydrophobicContact CE1-CG1 4.48Å; F1271-I1315 HydrophobicContact CZ-CD1 3.97Å |
| 1272 | V | 69.8 | Low | 67.4 | Low | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 115.7 | 174.5 | -164.8 | 0 | 0 | 0 | 0 | 108.5 | I997 F998 K1002 V1004 V1274 I1280 | I997-V1272 HydrophobicContact CG2-CG2 4.4Å; F998-V1272 HydrophobicContact CD1-CG2 4.05Å; F998-V1272 HydrophobicContact CE1-CG2 3.45Å; F998-V1272 VanDerWaalsContact CE1-CG2 3.45Å; F998-V1272 HydrophobicContact CZ-CG2 4.03Å; K1002-V1272 HydrophobicContact CG-CG1 4.41Å; V1004-V1272 HydrophobicContact CG1-CG2 4.23Å; V1272-V1274 HydrophobicContact CB-CG2 4.32Å; V1272-V1274 HydrophobicContact CG1-CG2 3.88Å; V1272-V1274 PolarHBondContact O-N 3.32Å; V1272-I1280 HydrophobicContact CB-CB 4.29Å; V1272-I1280 PolarHBondContact N-O 2.93Å; V1272-I1280 PolarHBondContact O-N 2.98Å |
| 1273 | S | 62.6 | Low | 66.2 | Low | 11 Ų | 11 | 30.2 Ų | 30.2 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | trans | -70 | 122.2 | 172.6 | -162.2 | 0 | 0 | 0 | 0 | 109.4 | I1315 I1317 | S1273-I1315 WeakPolarHBondContact CB-O 3.47Å; S1273-I1315 PolarHBondContact OG-O 2.89Å; S1273-I1317 VanDerWaalsContact O-CD1 3.29Å; S1273-I1317 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1274 | V | 54.1 | Low | 64.6 | Low | 25 Ų | 25 | 29.7 Ų | 29.7 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | trans | -143.3 | 92.4 | -178.4 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | I979 V1272 T1278 R1279 I1280 | I979-V1274 HydrophobicContact CG2-CG1 4.33Å; V1272-V1274 HydrophobicContact CB-CG2 4.32Å; V1272-V1274 HydrophobicContact CG1-CG2 3.88Å; V1272-V1274 PolarHBondContact O-N 3.32Å; V1274-T1278 CarbonylContact O-C 3.32Å; V1274-T1278 PolarHBondContact O-OG1 2.61Å; V1274-R1279 WeakPolarHBondContact O-CA 3.39Å; V1274-R1279 PolarHBondContact O-N 2.98Å; V1274-R1279 VanDerWaalsContact O-N 3.15Å; V1274-I1280 HydrophobicContact CB-CG1 4.39Å; V1274-I1280 HydrophobicContact CG2-CB 4.41Å; V1274-I1280 HydrophobicContact CG2-CD1 3.95Å; V1274-I1280 HydrophobicContact CG2-CG1 3.96Å | ||
| 1275 | N | 49.1 | Very low | 63 | Low | 58 Ų | 58 | 30.9 Ų | 30.9 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | -174.7 | -177.8 | -58.2 | 1.4 | 0 | 0 | 0 | 114 | K39 R1279 | K39-N1275 WeakPolarHBondContact CE-OD1 3.48Å; N1275-R1279 WeakPolarHBondContact O-CG 3.21Å |
| 1276 | S | 47.1 | Very low | 61.2 | Low | 50 Ų | 50 | 35.3 Ų | 35.3 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -33.7 | 171.1 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | R1279 | S1276-R1279 PolarHBondContact O-NE 3.35Å; S1276-R1279 PolarHBondContact O-NH2 3.03Å |
| 1277 | D | 46.7 | Very low | 59.5 | Low | 115 Ų | 115 | 35.3 Ų | 35.3 | 62% | 0.615 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -13.6 | -160.1 | -51.3 | -13.1 | 0 | 0 | 0 | 114.1 | ||
| 1278 | T | 56.3 | Low | 57.8 | Low | 21 Ų | 21 | 37.4 Ų | 37.4 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -121 | 27.5 | -173.5 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | I979 V1274 | I979-T1278 HydrophobicContact CG1-CG2 4.47Å; V1274-T1278 CarbonylContact O-C 3.32Å; V1274-T1278 PolarHBondContact O-OG1 2.61Å |
| 1279 | R | 62.1 | Low | 56.2 | Low | 24 Ų | 24 | 40.9 Ų | 40.9 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -55.5 | 138.2 | -174.5 | -57.5 | -178 | -140.3 | 128.9 | 17.9 | 112 | D880 G881 W882 V1274 N1275 S1276 Y1281 | D880-R1279 IonicContact OD1-CZ 3.91Å; D880-R1279 IonicContact OD1-NH1 3.01Å; D880-R1279 PolarHBondContact OD1-NH1 3.24Å; D880-R1279 IonicContact OD1-NH2 3.35Å; D880-R1279 PolarHBondContact OD1-NH2 3.04Å; D880-R1279 IonicContact OD2-NH1 2.7Å; G881-R1279 WeakPolarHBondContact CA-O 3.43Å; W882-R1279 PolarHBondContact N-O 3.33Å; V1274-R1279 WeakPolarHBondContact O-CA 3.39Å; V1274-R1279 PolarHBondContact O-N 2.98Å; V1274-R1279 VanDerWaalsContact O-N 3.15Å; N1275-R1279 WeakPolarHBondContact O-CG 3.21Å; S1276-R1279 PolarHBondContact O-NE 3.35Å; S1276-R1279 PolarHBondContact O-NH2 3.03Å; R1279-Y1281 HydrophobicContact CB-CD2 4.39Å; R1279-Y1281 HydrophobicContact CB-CE2 3.93Å; R1279-Y1281 PolarHBondContact NH1-OH 3.32Å | ||
| 1280 | I | 66.3 | Low | 54.2 | Low | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 105.4 | 179.8 | -58.9 | -177.7 | 0 | 0 | 0 | 109.6 | W882 V884 L897 I979 I997 V1272 V1274 | W882-I1280 WeakPolarHBondContact O-CA 3.16Å; V884-I1280 HydrophobicContact CG2-CG2 3.29Å; L897-I1280 HydrophobicContact CD2-CG2 4.36Å; I979-I1280 HydrophobicContact CG2-CD1 3.95Å; I979-I1280 HydrophobicContact CG2-CG1 4.25Å; I997-I1280 HydrophobicContact CG2-CD1 4.25Å; I997-I1280 HydrophobicContact CG2-CG2 4.21Å; V1272-I1280 HydrophobicContact CB-CB 4.29Å; V1272-I1280 PolarHBondContact N-O 2.93Å; V1272-I1280 PolarHBondContact O-N 2.98Å; V1274-I1280 HydrophobicContact CB-CG1 4.39Å; V1274-I1280 HydrophobicContact CG2-CB 4.41Å; V1274-I1280 HydrophobicContact CG2-CD1 3.95Å; V1274-I1280 HydrophobicContact CG2-CG1 3.96Å |
| 1281 | Y | 65.1 | Low | 52.6 | Low | 6 Ų | 6 | 49.2 Ų | 49.2 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 147.9 | -177.2 | -63.2 | -75 | 0 | 0 | 0 | 112.6 | D880 W882 S883 V884 N900 F1271 R1279 C1299 F1303 | D880-Y1281 WeakPolarHBondContact OD2-CE2 3.39Å; D880-Y1281 VanDerWaalsContact OD2-CZ 3.3Å; D880-Y1281 PolarHBondContact OD2-OH 2.86Å; W882-Y1281 PolarHBondContact O-N 2.81Å; S883-Y1281 WeakPolarHBondContact CA-O 3.5Å; V884-Y1281 PolarHBondContact N-O 3.07Å; N900-Y1281 WeakPolarHBondContact ND2-CD2 3.44Å; F1271-Y1281 HydrophobicContact CD2-CD1 4Å; F1271-Y1281 AromaticContact CE2-CD1 3.81Å; F1271-Y1281 HydrophobicContact CE2-CD1 3.81Å; F1271-Y1281 AromaticContact CE2-CE1 3.94Å; F1271-Y1281 HydrophobicContact CE2-CE1 3.94Å; R1279-Y1281 HydrophobicContact CB-CD2 4.39Å; R1279-Y1281 HydrophobicContact CB-CE2 3.93Å; R1279-Y1281 PolarHBondContact NH1-OH 3.32Å; Y1281-C1299 HydrophobicContact CE1-CB 4.25Å; Y1281-F1303 AromaticContact CE1-CE2 3.89Å; Y1281-F1303 HydrophobicContact CE1-CE2 3.89Å |
| 1282 | P | 56 | Low | 51 | Low | 21 Ų | 21 | 55.5 Ų | 55.5 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.1 | 165.1 | 25.7 | -28.6 | 0 | 0 | 0 | 110.5 | L1007 T1268 L1270 | L1007-P1282 HydrophobicContact CD1-CG 3.57Å; L1007-P1282 HydrophobicContact CG-CG 4.35Å; T1268-P1282 WeakPolarHBondContact O-CB 3.32Å; L1270-P1282 WeakPolarHBondContact O-CB 3.3Å |
| 1283 | S | 58.3 | Low | 49.4 | Very low | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 136.4 | -176.7 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | V884 T1268 | V884-S1283 WeakPolarHBondContact O-CB 3.37Å; V884-S1283 PolarHBondContact O-OG 3.32Å; T1268-S1283 WeakPolarHBondContact CG2-OG 3.14Å |
| 1284 | S | 52.6 | Low | 48.1 | Very low | 61 Ų | 61 | 67.4 Ų | 67.4 | 43% | 0.427 | 35% | 0.35 | S | S | . | . | trans | -81.4 | -8.6 | -179.2 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | N1286 L1287 | S1284-N1286 PolarHBondContact O-N 3.1Å; S1284-L1287 PolarHBondContact O-N 3.41Å; S1284-L1287 VanDerWaalsContact O-N 3.11Å | ||
| 1285 | Y | 49.8 | Very low | 47.4 | Very low | 99 Ų | 99 | 69.1 Ų | 69.1 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.3 | -168.4 | -74.3 | -76.7 | 0 | 0 | 0 | 116.3 | E799 V885 I898 | E799-Y1285 WeakPolarHBondContact OE1-CE1 3.32Å; E799-Y1285 PolarHBondContact OE1-OH 3.08Å; V885-Y1285 HydrophobicContact CG1-CD2 4.32Å; V885-Y1285 HydrophobicContact CG2-CD2 3.79Å; V885-Y1285 HydrophobicContact CG2-CE2 3.75Å; I898-Y1285 HydrophobicContact CD1-CE2 4.15Å |
| 1286 | N | 43.8 | Very low | 46.7 | Very low | 105 Ų | 105 | 68.2 Ų | 68.2 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 7.5 | -179.8 | -65.6 | -50.7 | 0 | 0 | 0 | 114.3 | S1284 | S1284-N1286 PolarHBondContact O-N 3.1Š|
| 1287 | L | 44 | Very low | 46.2 | Very low | 43 Ų | 43 | 69.4 Ų | 69.4 | 23% | 0.225 | 36% | 0.361 | C | S | . | . | trans | -84.2 | 137.8 | -177.5 | -64.7 | 171.9 | 0 | 0 | 0 | 112 | S1284 D1291 R1292 Y1295 | S1284-L1287 PolarHBondContact O-N 3.41Å; S1284-L1287 VanDerWaalsContact O-N 3.11Å; L1287-D1291 HydrophobicContact CB-CB 3.97Å; L1287-D1291 HydrophobicContact CD2-CB 4.14Å; L1287-R1292 HydrophobicContact CB-CG 4.25Å; L1287-R1292 PolarHBondContact O-NE 3.34Å; L1287-R1292 VanDerWaalsContact O-NE 3.1Å; L1287-Y1295 HydrophobicContact CD1-CD1 4.48Å; L1287-Y1295 HydrophobicContact CD1-CD2 3.53Å; L1287-Y1295 HydrophobicContact CD1-CE2 4.28Å; L1287-Y1295 HydrophobicContact CD1-CG 3.66Å; L1287-Y1295 HydrophobicContact CD2-CD2 3.91Å; L1287-Y1295 HydrophobicContact CD2-CE2 3.83Å; L1287-Y1295 HydrophobicContact CG-CD2 4.29Å | ||
| 1288 | S | 39.3 | Very low | 45.9 | Very low | 47 Ų | 47 | 65.9 Ų | 65.9 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | trans | -65 | 160.8 | 177.9 | 82.9 | 0 | 0 | 0 | 0 | 111.5 | F1290 D1291 R1292 | S1288-F1290 PolarHBondContact O-N 3.34Å; S1288-F1290 VanDerWaalsContact O-N 3.09Å; S1288-F1290 PolarHBondContact OG-N 2.95Å; S1288-D1291 WeakPolarHBondContact CB-OD2 3.33Å; S1288-D1291 PolarHBondContact N-OD2 3.09Å; S1288-D1291 PolarHBondContact O-N 3.4Å; S1288-D1291 VanDerWaalsContact OG-CG 3.31Å; S1288-D1291 PolarHBondContact OG-N 3.4Å; S1288-D1291 PolarHBondContact OG-OD2 3.47Å; S1288-R1292 WeakPolarHBondContact O-CG 3.3Å; S1288-R1292 PolarHBondContact O-N 2.92Å | ||
| 1289 | P | 35.2 | Very low | 45.3 | Very low | 103 Ų | 103 | 67.3 Ų | 67.3 | 67% | 0.669 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.2 | 176.5 | -26 | 35.8 | 0 | 0 | 0 | 114.1 | ||
| 1290 | F | 33.5 | Very low | 44.3 | Very low | 155 Ų | 155 | 67.7 Ų | 67.7 | 68% | 0.68 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -41.6 | 176.2 | -143.6 | -90.8 | 0 | 0 | 0 | 111.3 | S1288 R1292 C1293 Y1294 | S1288-F1290 PolarHBondContact O-N 3.34Å; S1288-F1290 VanDerWaalsContact O-N 3.09Å; S1288-F1290 PolarHBondContact OG-N 2.95Å; F1290-R1292 VanDerWaalsContact C-N 3.35Å; F1290-C1293 WeakPolarHBondContact O-CB 3.45Å; F1290-C1293 PolarHBondContact O-N 2.83Å; F1290-Y1294 HydrophobicContact CD1-CE2 4.39Å; F1290-Y1294 HydrophobicContact CE1-CE2 4.38Å |
| 1291 | D | 39.8 | Very low | 43.1 | Very low | 63 Ų | 63 | 68.8 Ų | 68.8 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 173.8 | -62 | -61.3 | 0 | 0 | 0 | 111.3 | L1287 S1288 C1293 Y1294 Y1295 | L1287-D1291 HydrophobicContact CB-CB 3.97Å; L1287-D1291 HydrophobicContact CD2-CB 4.14Å; S1288-D1291 WeakPolarHBondContact CB-OD2 3.33Å; S1288-D1291 PolarHBondContact N-OD2 3.09Å; S1288-D1291 PolarHBondContact O-N 3.4Å; S1288-D1291 VanDerWaalsContact OG-CG 3.31Å; S1288-D1291 PolarHBondContact OG-N 3.4Å; S1288-D1291 PolarHBondContact OG-OD2 3.47Å; D1291-C1293 PolarHBondContact O-N 2.78Å; D1291-Y1294 WeakPolarHBondContact O-CA 3.46Å; D1291-Y1294 PolarHBondContact O-N 2.75Å; D1291-Y1295 HydrophobicContact CB-CD2 3.96Å; D1291-Y1295 HydrophobicContact CB-CE2 4.01Å; D1291-Y1295 WeakPolarHBondContact O-CD2 3.37Å; D1291-Y1295 PolarHBondContact O-N 2.9Å |
| 1292 | R | 40.5 | Very low | 42.2 | Very low | 140 Ų | 140 | 70.1 Ų | 70.1 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.1 | -15.4 | 175 | -71.2 | 177.8 | -161.9 | -166.6 | -0.1 | 114 | L1287 S1288 F1290 S1296 | L1287-R1292 HydrophobicContact CB-CG 4.25Å; L1287-R1292 PolarHBondContact O-NE 3.34Å; L1287-R1292 VanDerWaalsContact O-NE 3.1Å; S1288-R1292 WeakPolarHBondContact O-CG 3.3Å; S1288-R1292 PolarHBondContact O-N 2.92Å; F1290-R1292 VanDerWaalsContact C-N 3.35Å; R1292-S1296 VanDerWaalsContact O-CA 3.31Å; R1292-S1296 WeakPolarHBondContact O-CA 3.26Å |
| 1293 | C | 34.6 | Very low | 42 | Very low | 97 Ų | 97 | 70 Ų | 70 | 66% | 0.655 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -83.5 | -32.8 | 170.3 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | F1290 D1291 | F1290-C1293 WeakPolarHBondContact O-CB 3.45Å; F1290-C1293 PolarHBondContact O-N 2.83Å; D1291-C1293 PolarHBondContact O-N 2.78Å |
| 1294 | Y | 35.6 | Very low | 41.7 | Very low | 166 Ų | 166 | 72 Ų | 72 | 65% | 0.651 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -78.5 | -47.1 | 174.6 | -78.7 | -86.7 | 0 | 0 | 0 | 111.8 | F1290 D1291 S1296 | F1290-Y1294 HydrophobicContact CD1-CE2 4.39Å; F1290-Y1294 HydrophobicContact CE1-CE2 4.38Å; D1291-Y1294 WeakPolarHBondContact O-CA 3.46Å; D1291-Y1294 PolarHBondContact O-N 2.75Å; Y1294-S1296 PolarHBondContact O-N 2.95Å; Y1294-S1296 VanDerWaalsContact O-N 3.14Å |
| 1295 | Y | 40.2 | Very low | 42.2 | Very low | 62 Ų | 62 | 71.6 Ų | 71.6 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 56 | 168.8 | -47.6 | -85.6 | 0 | 0 | 0 | 109 | L1007 Y1012 L1287 D1291 S1297 | L1007-Y1295 HydrophobicContact CB-CE1 4.07Å; L1007-Y1295 VanDerWaalsContact O-CE1 3.31Å; L1007-Y1295 WeakPolarHBondContact O-CE1 3.48Å; L1007-Y1295 PolarHBondContact O-OH 3.47Å; Y1012-Y1295 HydrophobicContact CE2-CE1 4.44Å; L1287-Y1295 HydrophobicContact CD1-CD1 4.48Å; L1287-Y1295 HydrophobicContact CD1-CD2 3.53Å; L1287-Y1295 HydrophobicContact CD1-CE2 4.28Å; L1287-Y1295 HydrophobicContact CD1-CG 3.66Å; L1287-Y1295 HydrophobicContact CD2-CD2 3.91Å; L1287-Y1295 HydrophobicContact CD2-CE2 3.83Å; L1287-Y1295 HydrophobicContact CG-CD2 4.29Å; D1291-Y1295 HydrophobicContact CB-CD2 3.96Å; D1291-Y1295 HydrophobicContact CB-CE2 4.01Å; D1291-Y1295 WeakPolarHBondContact O-CD2 3.37Å; D1291-Y1295 PolarHBondContact O-N 2.9Å; Y1295-S1297 PolarHBondContact O-N 3.43Å |
| 1296 | S | 33.6 | Very low | 43.2 | Very low | 39 Ų | 39 | 67.5 Ų | 67.5 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | 134.2 | -171.6 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | R1292 Y1294 N1298 | R1292-S1296 VanDerWaalsContact O-CA 3.31Å; R1292-S1296 WeakPolarHBondContact O-CA 3.26Å; Y1294-S1296 PolarHBondContact O-N 2.95Å; Y1294-S1296 VanDerWaalsContact O-N 3.14Å; S1296-N1298 CarbonylContact O-C 3.58Å; S1296-N1298 PolarHBondContact O-N 2.99Å |
| 1297 | S | 37.7 | Very low | 44.8 | Very low | 75 Ų | 75 | 66.1 Ų | 66.1 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -57.4 | -7.9 | -165.6 | 49.8 | 0 | 0 | 0 | 0 | 116.2 | R903 Y1295 | R903-S1297 WeakPolarHBondContact CD-O 3.49Å; Y1295-S1297 PolarHBondContact O-N 3.43Å |
| 1298 | N | 39.9 | Very low | 46.6 | Very low | 40 Ų | 40 | 65.9 Ų | 65.9 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | trans | -107.8 | 97.6 | 170.4 | -58.4 | 13.9 | 0 | 0 | 0 | 107.2 | R903 S1296 S1300 S1301 | R903-N1298 HydrophobicContact CB-CB 4.45Å; R903-N1298 VanDerWaalsContact CB-OD1 3.31Å; R903-N1298 WeakPolarHBondContact CB-OD1 3.16Å; S1296-N1298 CarbonylContact O-C 3.58Å; S1296-N1298 PolarHBondContact O-N 2.99Å; N1298-S1300 PolarHBondContact O-N 3.24Å; N1298-S1300 VanDerWaalsContact O-N 3.16Å; N1298-S1301 WeakPolarHBondContact O-CB 3.42Å; N1298-S1301 PolarHBondContact O-N 3.41Å; N1298-S1301 PolarHBondContact O-OG 3Å | ||
| 1299 | C | 42.9 | Very low | 48.8 | Very low | 51 Ų | 51 | 64.5 Ų | 64.5 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.5 | -38.3 | 176.7 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | Y1281 S1301 V1302 F1303 | Y1281-C1299 HydrophobicContact CE1-CB 4.25Å; C1299-S1301 PolarHBondContact O-N 3.4Å; C1299-S1301 VanDerWaalsContact O-N 3.13Å; C1299-V1302 WeakPolarHBondContact O-CB 3.22Å; C1299-V1302 PolarHBondContact O-N 2.83Å; C1299-F1303 WeakPolarHBondContact O-CD2 3.5Å |
| 1300 | S | 42 | Very low | 51.1 | Low | 33 Ų | 33 | 60.5 Ų | 60.5 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55 | -25.8 | 172.4 | -170.9 | 0 | 0 | 0 | 0 | 114.5 | N1298 F1303 S1304 | N1298-S1300 PolarHBondContact O-N 3.24Å; N1298-S1300 VanDerWaalsContact O-N 3.16Å; S1300-F1303 CarbonylContact O-C 3.58Å; S1300-F1303 PolarHBondContact O-N 2.97Å; S1300-F1303 VanDerWaalsContact O-N 3.15Å; S1300-S1304 VanDerWaalsContact O-CB 3.24Å; S1300-S1304 WeakPolarHBondContact O-CB 3.31Å; S1300-S1304 PolarHBondContact O-N 2.79Å; S1300-S1304 PolarHBondContact O-OG 3.4Å |
| 1301 | S | 40.7 | Very low | 53.6 | Low | 33 Ų | 33 | 56.6 Ų | 56.6 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | N1298 C1299 F1303 S1304 S1305 | N1298-S1301 WeakPolarHBondContact O-CB 3.42Å; N1298-S1301 PolarHBondContact O-N 3.41Å; N1298-S1301 PolarHBondContact O-OG 3Å; C1299-S1301 PolarHBondContact O-N 3.4Å; C1299-S1301 VanDerWaalsContact O-N 3.13Å; S1301-F1303 PolarHBondContact O-N 2.95Å; S1301-F1303 VanDerWaalsContact O-N 3.12Å; S1301-S1304 PolarHBondContact O-N 2.96Å; S1301-S1305 PolarHBondContact O-N 2.94Å; S1301-S1305 PolarHBondContact O-OG 2.92Å |
| 1302 | V | 46.6 | Very low | 55.7 | Low | 34 Ų | 34 | 53.6 Ų | 53.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -25.6 | 172 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | C1299 L1375 | C1299-V1302 WeakPolarHBondContact O-CB 3.22Å; C1299-V1302 PolarHBondContact O-N 2.83Å; V1302-L1375 HydrophobicContact CG1-CD1 3.94Å |
| 1303 | F | 50.9 | Low | 57.8 | Low | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 5.1 | -174.4 | -63.4 | -57.4 | 0 | 0 | 0 | 114.9 | Y1281 C1299 S1300 S1301 I1315 P1371 L1374 L1375 | Y1281-F1303 AromaticContact CE1-CE2 3.89Å; Y1281-F1303 HydrophobicContact CE1-CE2 3.89Å; C1299-F1303 WeakPolarHBondContact O-CD2 3.5Å; S1300-F1303 CarbonylContact O-C 3.58Å; S1300-F1303 PolarHBondContact O-N 2.97Å; S1300-F1303 VanDerWaalsContact O-N 3.15Å; S1301-F1303 PolarHBondContact O-N 2.95Å; S1301-F1303 VanDerWaalsContact O-N 3.12Å; F1303-I1315 HydrophobicContact CD1-CD1 4.4Å; F1303-I1315 HydrophobicContact CE1-CD1 3.44Å; F1303-I1315 VanDerWaalsContact CE1-CD1 3.44Å; F1303-I1315 HydrophobicContact CZ-CD1 3.86Å; F1303-P1371 CarbonylContact O-C 3.57Å; F1303-P1371 VanDerWaalsContact O-C 3.32Å; F1303-P1371 WeakPolarHBondContact O-CB 3.38Å; F1303-L1374 WeakPolarHBondContact CD1-O 3.24Å; F1303-L1374 VanDerWaalsContact CE1-O 3.27Å; F1303-L1374 WeakPolarHBondContact CE1-O 3.43Å; F1303-L1375 HydrophobicContact CE1-CD1 4.26Å; F1303-L1375 HydrophobicContact CZ-CD1 4.22Å |
| 1304 | S | 52.3 | Low | 60 | Low | 48 Ų | 48 | 42.4 Ų | 42.4 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -4.4 | -174.2 | 59 | 0 | 0 | 0 | 0 | 116.1 | S1300 S1301 V1336 | S1300-S1304 VanDerWaalsContact O-CB 3.24Å; S1300-S1304 WeakPolarHBondContact O-CB 3.31Å; S1300-S1304 PolarHBondContact O-N 2.79Å; S1300-S1304 PolarHBondContact O-OG 3.4Å; S1301-S1304 PolarHBondContact O-N 2.96Å; S1304-V1336 WeakPolarHBondContact O-CG2 3.37Å |
| 1305 | S | 62.9 | Low | 61.9 | Low | 54 Ų | 54 | 34.6 Ų | 34.6 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | trans | -125.4 | 85.1 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | S1301 R1376 | S1301-S1305 PolarHBondContact O-N 2.94Å; S1301-S1305 PolarHBondContact O-OG 2.92Å; S1305-R1376 PolarHBondContact O-NH1 2.74Å | ||
| 1306 | F | 72.3 | Confident | 63.1 | Low | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | trans | -93.7 | 143 | 166.5 | -65 | -79.4 | 0 | 0 | 0 | 110.5 | V1312 V1329 V1332 V1345 P1371 L1374 R1376 | F1306-V1312 HydrophobicContact CD1-CG1 3.91Å; F1306-V1312 HydrophobicContact CE1-CG1 3.66Å; F1306-V1329 HydrophobicContact CB-CG2 4.35Å; F1306-V1329 HydrophobicContact CD1-CG2 4.13Å; F1306-V1332 HydrophobicContact CB-CG2 4.48Å; F1306-V1345 HydrophobicContact CD2-CG2 4.14Å; F1306-P1371 HydrophobicContact CD2-CB 4.19Å; F1306-P1371 HydrophobicContact CE2-CB 3.89Å; F1306-P1371 WeakPolarHBondContact CE2-O 3.4Å; F1306-L1374 HydrophobicContact CE1-CB 3.97Å; F1306-L1374 HydrophobicContact CE1-CD1 4.48Å; F1306-L1374 HydrophobicContact CE2-CB 4.32Å; F1306-L1374 HydrophobicContact CZ-CB 3.6Å; F1306-L1374 HydrophobicContact CZ-CD1 4.36Å; F1306-R1376 HydrophobicContact CE1-CB 4.07Å | ||
| 1307 | T | 76 | Confident | 64.4 | Low | 76 Ų | 76 | 33 Ų | 33 | 47% | 0.466 | 20% | 0.197 | S | C | . | . | trans | -116.6 | 161.9 | 173.3 | 25.2 | 0 | 0 | 0 | 0 | 109.6 | D1310 V1329 R1376 | T1307-D1310 WeakPolarHBondContact CA-OD2 3.31Å; T1307-D1310 WeakPolarHBondContact CB-OD2 3.35Å; T1307-D1310 PolarHBondContact N-OD2 2.88Å; T1307-D1310 WeakPolarHBondContact O-CB 3.43Å; T1307-D1310 PolarHBondContact O-N 2.78Å; T1307-D1310 PolarHBondContact OG1-OD2 3.5Å; T1307-V1329 WeakPolarHBondContact O-CB 3.23Å; T1307-V1329 VanDerWaalsContact O-CG1 3.3Å; T1307-V1329 WeakPolarHBondContact O-CG1 3.44Å; T1307-R1376 PolarHBondContact OG1-NH2 3.24Å | ||
| 1308 | L | 81.7 | Confident | 65 | Low | 38 Ų | 38 | 30.6 Ų | 30.6 | 20% | 0.199 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 143.7 | 175.6 | -156.9 | 79.8 | 0 | 0 | 0 | 109.9 | V1049 I1226 L1228 D1310 I1330 | V1049-L1308 HydrophobicContact CG1-CD2 3.9Å; I1226-L1308 HydrophobicContact CG2-CD1 4.45Å; I1226-L1308 HydrophobicContact CG2-CD2 4.44Å; L1228-L1308 HydrophobicContact CD2-CD2 3.68Å; L1228-L1308 HydrophobicContact CD2-CG 4.42Å; L1228-L1308 HydrophobicContact CG-CD1 4.27Å; L1228-L1308 HydrophobicContact CG-CD2 4.09Å; L1228-L1308 HydrophobicContact CG-CG 4.35Å; L1308-D1310 PolarHBondContact O-N 2.71Å; L1308-I1330 WeakPolarHBondContact CD1-O 3.38Å |
| 1309 | L | 86.1 | Confident | 66.1 | Low | 18 Ų | 18 | 30.9 Ų | 30.9 | 9% | 0.094 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 7 | -178.8 | -54.7 | 175 | 0 | 0 | 0 | 116.5 | F1045 C1046 V1049 L1228 L1236 K1311 I1328 V1329 | F1045-L1309 HydrophobicContact CD1-CD1 3.95Å; F1045-L1309 HydrophobicContact CD1-CD2 4.19Å; F1045-L1309 HydrophobicContact CE1-CD1 4.19Å; F1045-L1309 HydrophobicContact CE1-CD2 3.9Å; C1046-L1309 HydrophobicContact CB-CD1 4.11Å; C1046-L1309 VanDerWaalsContact SG-CD1 3.55Å; V1049-L1309 HydrophobicContact CB-CD1 4.46Å; V1049-L1309 HydrophobicContact CG2-CD1 4.35Å; L1228-L1309 HydrophobicContact CD1-CD2 3.94Å; L1236-L1309 HydrophobicContact CD1-CD2 4.45Å; L1236-L1309 HydrophobicContact CD2-CD2 4.21Å; L1309-K1311 PolarHBondContact O-N 2.88Å; L1309-I1328 HydrophobicContact CB-CG2 4.49Å; L1309-I1328 HydrophobicContact CD2-CG2 4.06Å; L1309-V1329 WeakPolarHBondContact CA-O 3.4Å; L1309-V1329 PolarHBondContact N-O 2.94Å |
| 1310 | D | 83.5 | Confident | 67 | Low | 18 Ų | 18 | 29.7 Ų | 29.7 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | trans | -59.5 | 129.8 | 172.3 | -90.5 | -43.3 | 0 | 0 | 0 | 112.6 | T1307 L1308 I1328 V1329 R1376 | T1307-D1310 WeakPolarHBondContact CA-OD2 3.31Å; T1307-D1310 WeakPolarHBondContact CB-OD2 3.35Å; T1307-D1310 PolarHBondContact N-OD2 2.88Å; T1307-D1310 WeakPolarHBondContact O-CB 3.43Å; T1307-D1310 PolarHBondContact O-N 2.78Å; T1307-D1310 PolarHBondContact OG1-OD2 3.5Å; L1308-D1310 PolarHBondContact O-N 2.71Å; D1310-I1328 CarbonylContact O-C 3.58Å; D1310-I1328 WeakPolarHBondContact O-CA 3.17Å; D1310-V1329 HydrophobicContact CB-CB 4.23Å; D1310-V1329 HydrophobicContact CB-CG2 3.96Å; D1310-V1329 PolarHBondContact O-N 2.65Å; D1310-R1376 IonicContact OD1-CZ 2.99Å; D1310-R1376 IonicContact OD1-NE 2.78Å; D1310-R1376 PolarHBondContact OD1-NE 2.72Å; D1310-R1376 IonicContact OD1-NH2 3.35Å; D1310-R1376 PolarHBondContact OD1-NH2 2.88Å; D1310-R1376 IonicContact OD2-CZ 2.72Å; D1310-R1376 IonicContact OD2-NE 3.24Å; D1310-R1376 PolarHBondContact OD2-NE 2.66Å; D1310-R1376 IonicContact OD2-NH1 2.75Å; D1310-R1376 IonicContact OD2-NH2 2.77Å; D1310-R1376 PolarHBondContact OD2-NH2 3.12Å | ||
| 1311 | K | 85.5 | Confident | 68.4 | Low | 73 Ų | 73 | 28.6 Ų | 28.6 | 32% | 0.317 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.8 | 171.2 | -68.1 | -179.5 | 176.5 | -178.7 | 0 | 109.2 | T1040 L1309 L1377 | T1040-K1311 PolarHBondContact O-NZ 3.4Å; L1309-K1311 PolarHBondContact O-N 2.88Å; K1311-L1377 HydrophobicContact CB-CB 4.28Å; K1311-L1377 HydrophobicContact CB-CD1 4.49Å; K1311-L1377 PolarHBondContact O-N 3.15Å |
| 1312 | V | 84.8 | Confident | 69.8 | Low | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.6 | -173.8 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | F1306 H1326 G1327 V1329 V1347 L1374 L1375 | F1306-V1312 HydrophobicContact CD1-CG1 3.91Å; F1306-V1312 HydrophobicContact CE1-CG1 3.66Å; V1312-H1326 CarbonylContact O-C 3.58Å; V1312-H1326 WeakPolarHBondContact O-CA 3.48Å; V1312-G1327 PolarHBondContact N-O 3.04Å; V1312-G1327 PolarHBondContact O-N 3.43Å; V1312-V1329 HydrophobicContact CG1-CG2 3.89Å; V1312-V1329 HydrophobicContact CG2-CG2 4.4Å; V1312-V1347 HydrophobicContact CG2-CG1 3.66Å; V1312-V1347 HydrophobicContact CG2-CG2 4.3Å; V1312-L1374 HydrophobicContact CB-CB 4.44Å; V1312-L1374 HydrophobicContact CB-CD2 4.34Å; V1312-L1374 HydrophobicContact CG1-CB 4.49Å; V1312-L1374 HydrophobicContact CG2-CD2 4.1Å; V1312-L1375 CarbonylContact C-O 3.52Å; V1312-L1375 VanDerWaalsContact CA-O 3.28Å; V1312-L1375 WeakPolarHBondContact CA-O 3.36Å |
| 1313 | V | 83 | Confident | 71 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.8 | 168.9 | 162.2 | 0 | 0 | 0 | 0 | 109.7 | F1005 I1315 L1374 L1375 L1377 | F1005-V1313 HydrophobicContact CD1-CG1 4.27Å; F1005-V1313 HydrophobicContact CE1-CG1 3.89Å; V1313-I1315 HydrophobicContact CG1-CG2 4.14Å; V1313-I1315 PolarHBondContact O-N 2.93Å; V1313-L1374 WeakPolarHBondContact O-CA 3.31Å; V1313-L1375 PolarHBondContact N-O 3.05Å; V1313-L1375 PolarHBondContact O-N 3.33Å; V1313-L1377 HydrophobicContact CG2-CD1 4.01Å; V1313-L1377 HydrophobicContact CG2-CD2 3.94Å; V1313-L1377 HydrophobicContact CG2-CG 4.17Å |
| 1314 | Y | 82.3 | Confident | 72.1 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 120.8 | 170.6 | -171.7 | -106.3 | 0 | 0 | 0 | 111.1 | G1316 I1321 G1324 L1325 V1369 M1373 L1374 | Y1314-G1316 WeakPolarHBondContact CE1-O 3.46Å; Y1314-I1321 HydrophobicContact CD1-CB 3.76Å; Y1314-I1321 HydrophobicContact CD1-CG2 3.7Å; Y1314-I1321 WeakPolarHBondContact CD1-O 3.37Å; Y1314-I1321 HydrophobicContact CD2-CB 4.17Å; Y1314-I1321 HydrophobicContact CD2-CD1 3.91Å; Y1314-I1321 HydrophobicContact CD2-CG2 3.99Å; Y1314-I1321 HydrophobicContact CE1-CB 3.74Å; Y1314-I1321 HydrophobicContact CE1-CG2 4.22Å; Y1314-I1321 VanDerWaalsContact CE1-O 3.26Å; Y1314-I1321 WeakPolarHBondContact CE1-O 3.49Å; Y1314-I1321 HydrophobicContact CE2-CB 4.15Å; Y1314-I1321 HydrophobicContact CE2-CD1 3.64Å; Y1314-I1321 HydrophobicContact CE2-CG1 4.44Å; Y1314-I1321 HydrophobicContact CE2-CG2 4.47Å; Y1314-I1321 HydrophobicContact CG-CB 3.98Å; Y1314-I1321 HydrophobicContact CG-CG2 3.57Å; Y1314-G1324 PolarHBondContact O-N 2.86Å; Y1314-L1325 PolarHBondContact N-O 3.11Å; Y1314-V1369 HydrophobicContact CD2-CG1 3.89Å; Y1314-V1369 HydrophobicContact CE2-CG1 3.75Å; Y1314-M1373 HydrophobicContact CD2-CB 4.34Å; Y1314-M1373 WeakPolarHBondContact CD2-O 3.45Å; Y1314-M1373 HydrophobicContact CE2-CB 3.75Å; Y1314-L1374 HydrophobicContact CD2-CD2 4.47Å |
| 1315 | I | 75.1 | Confident | 73.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -115.8 | -3.8 | 178.6 | 62.8 | 161.7 | 0 | 0 | 0 | 113 | F1005 F1271 S1273 F1303 V1313 M1373 L1375 | F1005-I1315 HydrophobicContact CD1-CG2 3.8Å; F1005-I1315 HydrophobicContact CD2-CG2 4.36Å; F1005-I1315 HydrophobicContact CE1-CB 4.33Å; F1005-I1315 HydrophobicContact CE1-CG2 3.68Å; F1005-I1315 HydrophobicContact CE2-CB 4.19Å; F1005-I1315 HydrophobicContact CE2-CG2 4.27Å; F1005-I1315 HydrophobicContact CG-CG2 4.15Å; F1005-I1315 HydrophobicContact CZ-CB 4.08Å; F1005-I1315 HydrophobicContact CZ-CG2 3.94Å; F1271-I1315 HydrophobicContact CE1-CB 4.24Å; F1271-I1315 HydrophobicContact CE1-CD1 3.72Å; F1271-I1315 HydrophobicContact CE1-CG1 4.48Å; F1271-I1315 HydrophobicContact CZ-CD1 3.97Å; S1273-I1315 WeakPolarHBondContact CB-O 3.47Å; S1273-I1315 PolarHBondContact OG-O 2.89Å; F1303-I1315 HydrophobicContact CD1-CD1 4.4Å; F1303-I1315 HydrophobicContact CE1-CD1 3.44Å; F1303-I1315 VanDerWaalsContact CE1-CD1 3.44Å; F1303-I1315 HydrophobicContact CZ-CD1 3.86Å; V1313-I1315 HydrophobicContact CG1-CG2 4.14Å; V1313-I1315 PolarHBondContact O-N 2.93Å; I1315-M1373 VanDerWaalsContact CG1-C 3.45Å; I1315-M1373 WeakPolarHBondContact CG1-O 3.41Å; I1315-M1373 PolarHBondContact N-O 2.79Å; I1315-L1375 HydrophobicContact CD1-CB 4.49Å; I1315-L1375 HydrophobicContact CG2-CB 3.7Å | ||
| 1316 | G | 66.1 | Low | 74.4 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | trans | -74 | 160 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1314 L1323 M1373 | Y1314-G1316 WeakPolarHBondContact CE1-O 3.46Å; G1316-L1323 WeakPolarHBondContact O-CD2 3.5Å; G1316-M1373 WeakPolarHBondContact CA-SD 3.48Å; G1316-M1373 PolarHBondContact N-O 2.75Å | ||
| 1317 | I | 59.3 | Low | 75.2 | Confident | 65 Ų | 65 | 27 Ų | 27 | 33% | 0.333 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -124 | 119.4 | 166.5 | -59.2 | 176.2 | 0 | 0 | 0 | 106.6 | S1273 L1323 | S1273-I1317 VanDerWaalsContact O-CD1 3.29Å; S1273-I1317 WeakPolarHBondContact O-CD1 3.48Å; I1317-L1323 HydrophobicContact CG1-CD2 4.39Å |
| 1318 | G | 51.2 | Low | 75.8 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 147.2 | -30.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1319 | Q | 61.7 | Low | 76.2 | Confident | 46 Ų | 46 | 21.6 Ų | 21.6 | 22% | 0.215 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -100.4 | 155.7 | 172.5 | -55.6 | 178.6 | -70.7 | 0 | 0 | 109.9 | I1321 L1368 | Q1319-I1321 HydrophobicContact CB-CD1 4.13Å; Q1319-I1321 HydrophobicContact CB-CG1 4.16Å; Q1319-I1321 PolarHBondContact O-N 3.01Å; Q1319-L1368 PolarHBondContact NE2-O 2.67Å |
| 1320 | N | 63.6 | Low | 76.4 | Confident | 26 Ų | 26 | 20.8 Ų | 20.8 | 14% | 0.139 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -76 | 24.8 | -178.2 | -65.6 | -34.1 | 0 | 0 | 0 | 114.9 | D1355 | N1320-D1355 WeakPolarHBondContact CB-OD2 3.2Å; N1320-D1355 PolarHBondContact ND2-OD2 3.31Å |
| 1321 | I | 69.7 | Low | 76.6 | Confident | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -83.5 | 126.9 | 174.8 | -52.8 | 167 | 0 | 0 | 0 | 108.3 | Y1314 Q1319 L1323 L1325 F1349 F1353 A1367 V1369 | Y1314-I1321 HydrophobicContact CD1-CB 3.76Å; Y1314-I1321 HydrophobicContact CD1-CG2 3.7Å; Y1314-I1321 WeakPolarHBondContact CD1-O 3.37Å; Y1314-I1321 HydrophobicContact CD2-CB 4.17Å; Y1314-I1321 HydrophobicContact CD2-CD1 3.91Å; Y1314-I1321 HydrophobicContact CD2-CG2 3.99Å; Y1314-I1321 HydrophobicContact CE1-CB 3.74Å; Y1314-I1321 HydrophobicContact CE1-CG2 4.22Å; Y1314-I1321 VanDerWaalsContact CE1-O 3.26Å; Y1314-I1321 WeakPolarHBondContact CE1-O 3.49Å; Y1314-I1321 HydrophobicContact CE2-CB 4.15Å; Y1314-I1321 HydrophobicContact CE2-CD1 3.64Å; Y1314-I1321 HydrophobicContact CE2-CG1 4.44Å; Y1314-I1321 HydrophobicContact CE2-CG2 4.47Å; Y1314-I1321 HydrophobicContact CG-CB 3.98Å; Y1314-I1321 HydrophobicContact CG-CG2 3.57Å; Q1319-I1321 HydrophobicContact CB-CD1 4.13Å; Q1319-I1321 HydrophobicContact CB-CG1 4.16Å; Q1319-I1321 PolarHBondContact O-N 3.01Å; I1321-L1323 PolarHBondContact O-N 2.69Å; I1321-L1325 HydrophobicContact CG2-CD2 4.38Å; I1321-F1349 HydrophobicContact CD1-CE2 4.39Å; I1321-F1349 HydrophobicContact CD1-CZ 4.44Å; I1321-F1349 HydrophobicContact CG2-CE1 4.19Å; I1321-F1349 HydrophobicContact CG2-CE2 4.22Å; I1321-F1349 HydrophobicContact CG2-CZ 3.94Å; I1321-F1353 HydrophobicContact CB-CD2 4.4Å; I1321-F1353 HydrophobicContact CB-CE2 4.29Å; I1321-F1353 HydrophobicContact CG1-CD2 4.18Å; I1321-F1353 HydrophobicContact CG1-CE2 3.63Å; I1321-F1353 HydrophobicContact CG1-CZ 4.24Å; I1321-F1353 HydrophobicContact CG2-CD2 4.49Å; I1321-F1353 HydrophobicContact CG2-CE2 4.38Å; I1321-A1367 HydrophobicContact CD1-CB 3.65Å; I1321-A1367 HydrophobicContact CG1-CB 4.18Å; I1321-V1369 HydrophobicContact CD1-CG2 3.6Å |
| 1322 | P | 70.1 | Confident | 76.4 | Confident | 36 Ų | 36 | 17.3 Ų | 17.3 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 127.5 | 177.4 | -25.3 | 33.3 | 0 | 0 | 0 | 112.9 | G1324 L1325 F1353 | P1322-G1324 PolarHBondContact O-N 2.9Å; P1322-L1325 HydrophobicContact CB-CB 4.34Å; P1322-L1325 HydrophobicContact CG-CD2 4.41Å; P1322-L1325 WeakPolarHBondContact O-CB 3.36Å; P1322-L1325 PolarHBondContact O-N 3.45Å; P1322-F1353 HydrophobicContact CG-CB 3.92Å |
| 1323 | L | 72.6 | Confident | 75.8 | Confident | 74 Ų | 74 | 18.3 Ų | 18.3 | 39% | 0.387 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 129.9 | 170.1 | -78.1 | 162.3 | 0 | 0 | 0 | 110.4 | F1005 G1316 I1317 I1321 | F1005-L1323 HydrophobicContact CE2-CD2 4.06Å; F1005-L1323 HydrophobicContact CZ-CB 4.37Å; F1005-L1323 HydrophobicContact CZ-CD2 3.8Å; G1316-L1323 WeakPolarHBondContact O-CD2 3.5Å; I1317-L1323 HydrophobicContact CG1-CD2 4.39Å; I1321-L1323 PolarHBondContact O-N 2.69Å |
| 1324 | G | 73.2 | Confident | 74.7 | Confident | 11 Ų | 11 | 19.5 Ų | 19.5 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -6.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | Y1314 P1322 H1326 | Y1314-G1324 PolarHBondContact O-N 2.86Å; P1322-G1324 PolarHBondContact O-N 2.9Å; G1324-H1326 PolarHBondContact O-N 2.94Å; G1324-H1326 PolarHBondContact O-ND1 2.84Å |
| 1325 | L | 79.4 | Confident | 73.1 | Confident | 18 Ų | 18 | 21.4 Ų | 21.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | trans | -65.1 | 125 | -178.3 | -168 | 62.2 | 0 | 0 | 0 | 110.2 | Y1314 I1321 P1322 F1349 R1351 F1353 | Y1314-L1325 PolarHBondContact N-O 3.11Å; I1321-L1325 HydrophobicContact CG2-CD2 4.38Å; P1322-L1325 HydrophobicContact CB-CB 4.34Å; P1322-L1325 HydrophobicContact CG-CD2 4.41Å; P1322-L1325 WeakPolarHBondContact O-CB 3.36Å; P1322-L1325 PolarHBondContact O-N 3.45Å; L1325-F1349 HydrophobicContact CB-CD1 4.02Å; L1325-F1349 HydrophobicContact CB-CE1 4.48Å; L1325-F1349 HydrophobicContact CD2-CB 3.6Å; L1325-F1349 HydrophobicContact CD2-CD1 3.86Å; L1325-F1349 HydrophobicContact CD2-CG 3.78Å; L1325-F1349 HydrophobicContact CG-CB 3.88Å; L1325-F1349 HydrophobicContact CG-CD1 3.68Å; L1325-F1349 HydrophobicContact CG-CG 4.05Å; L1325-F1349 WeakPolarHBondContact O-CE1 3.2Å; L1325-R1351 HydrophobicContact CD1-CB 4.09Å; L1325-R1351 HydrophobicContact CD1-CG 4.34Å; L1325-F1353 HydrophobicContact CD2-CB 4.36Å; L1325-F1353 HydrophobicContact CD2-CD1 3.52Å; L1325-F1353 HydrophobicContact CD2-CE1 4.12Å; L1325-F1353 HydrophobicContact CD2-CG 4.07Å | ||
| 1326 | H | 85.6 | Confident | 71.1 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 143.2 | -179.9 | -71.7 | 47.7 | 0 | 0 | 0 | 110.3 | V1312 G1324 F1349 C1350 | V1312-H1326 CarbonylContact O-C 3.58Å; V1312-H1326 WeakPolarHBondContact O-CA 3.48Å; G1324-H1326 PolarHBondContact O-N 2.94Å; G1324-H1326 PolarHBondContact O-ND1 2.84Å; H1326-F1349 CarbonylContact O-C 3.53Å; H1326-F1349 VanDerWaalsContact O-CA 3.32Å; H1326-F1349 WeakPolarHBondContact O-CA 3.45Å; H1326-F1349 WeakPolarHBondContact O-CD1 3.26Å; H1326-C1350 PolarHBondContact O-N 3.49Å; H1326-C1350 PolarHBondContact O-SG 3.15Å; H1326-C1350 VanDerWaalsContact O-SG 3.41Å |
| 1327 | G | 87.9 | Confident | 69.6 | Low | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | -178.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1240 V1312 M1348 | Y1240-G1327 WeakPolarHBondContact OH-CA 3.35Å; V1312-G1327 PolarHBondContact N-O 3.04Å; V1312-G1327 PolarHBondContact O-N 3.43Å; G1327-M1348 CarbonylContact C-O 3.48Å; G1327-M1348 WeakPolarHBondContact CA-O 3.41Å |
| 1328 | I | 90.2 | Very high | 68.3 | Low | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.2 | 179.3 | -64.1 | 173.9 | 0 | 0 | 0 | 108.4 | L1042 L1236 Y1240 L1309 D1310 I1330 V1347 M1348 | L1042-I1328 HydrophobicContact CD1-CD1 3.51Å; L1236-I1328 HydrophobicContact CD1-CD1 4.04Å; L1236-I1328 HydrophobicContact CD2-CG2 4.24Å; Y1240-I1328 HydrophobicContact CD1-CD1 3.9Å; Y1240-I1328 HydrophobicContact CD2-CD1 3.47Å; Y1240-I1328 VanDerWaalsContact CD2-CD1 3.47Å; Y1240-I1328 HydrophobicContact CD2-CG1 4.42Å; Y1240-I1328 HydrophobicContact CE1-CD1 3.92Å; Y1240-I1328 HydrophobicContact CE1-CG1 4.12Å; Y1240-I1328 HydrophobicContact CE2-CD1 3.48Å; Y1240-I1328 VanDerWaalsContact CE2-CD1 3.48Å; Y1240-I1328 HydrophobicContact CE2-CG1 3.96Å; Y1240-I1328 HydrophobicContact CG-CD1 3.67Å; L1309-I1328 HydrophobicContact CB-CG2 4.49Å; L1309-I1328 HydrophobicContact CD2-CG2 4.06Å; D1310-I1328 CarbonylContact O-C 3.58Å; D1310-I1328 WeakPolarHBondContact O-CA 3.17Å; I1328-I1330 PolarHBondContact O-N 3.32Å; I1328-V1347 CarbonylContact O-C 3.6Å; I1328-V1347 WeakPolarHBondContact O-CA 3.36Å; I1328-M1348 PolarHBondContact N-O 3.38Å; I1328-M1348 PolarHBondContact O-N 3.39Å |
| 1329 | V | 89.1 | Confident | 67.8 | Low | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 116.9 | 173.3 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | F1306 T1307 L1309 D1310 V1312 V1332 V1345 V1347 | F1306-V1329 HydrophobicContact CB-CG2 4.35Å; F1306-V1329 HydrophobicContact CD1-CG2 4.13Å; T1307-V1329 WeakPolarHBondContact O-CB 3.23Å; T1307-V1329 VanDerWaalsContact O-CG1 3.3Å; T1307-V1329 WeakPolarHBondContact O-CG1 3.44Å; L1309-V1329 WeakPolarHBondContact CA-O 3.4Å; L1309-V1329 PolarHBondContact N-O 2.94Å; D1310-V1329 HydrophobicContact CB-CB 4.23Å; D1310-V1329 HydrophobicContact CB-CG2 3.96Å; D1310-V1329 PolarHBondContact O-N 2.65Å; V1312-V1329 HydrophobicContact CG1-CG2 3.89Å; V1312-V1329 HydrophobicContact CG2-CG2 4.4Å; V1329-V1332 HydrophobicContact CG1-CG2 3.4Å; V1329-V1345 HydrophobicContact CB-CG1 4.32Å; V1329-V1345 HydrophobicContact CG1-CG1 3.58Å; V1329-V1345 HydrophobicContact CG2-CG1 3.94Å; V1329-V1347 HydrophobicContact CG2-CG2 4.44Å |
| 1330 | I | 90.8 | Very high | 66.9 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -6.3 | -178.5 | 58.5 | 160.2 | 0 | 0 | 0 | 113.7 | L1228 L1233 L1236 L1308 I1328 E1346 M1348 I1359 R1360 | L1228-I1330 HydrophobicContact CD1-CB 4.21Å; L1228-I1330 HydrophobicContact CD1-CG2 4.05Å; L1228-I1330 PolarHBondContact N-O 2.61Å; L1233-I1330 HydrophobicContact CD1-CD1 4.49Å; L1233-I1330 HydrophobicContact CD2-CB 3.83Å; L1233-I1330 HydrophobicContact CD2-CD1 3.65Å; L1233-I1330 HydrophobicContact CD2-CG1 4.35Å; L1233-I1330 HydrophobicContact CD2-CG2 3.72Å; L1236-I1330 HydrophobicContact CD2-CG2 3.7Å; L1308-I1330 WeakPolarHBondContact CD1-O 3.38Å; I1328-I1330 PolarHBondContact O-N 3.32Å; I1330-E1346 HydrophobicContact CD1-CB 4.31Å; I1330-E1346 HydrophobicContact CG1-CB 3.78Å; I1330-E1346 WeakPolarHBondContact CG1-O 3.5Å; I1330-E1346 PolarHBondContact N-O 3.18Å; I1330-M1348 HydrophobicContact CD1-CB 4.19Å; I1330-M1348 HydrophobicContact CG1-CB 4.4Å; I1330-M1348 HydrophobicContact CG2-CB 3.68Å; I1330-I1359 HydrophobicContact CD1-CB 4.1Å; I1330-I1359 HydrophobicContact CD1-CD1 4.3Å; I1330-I1359 HydrophobicContact CD1-CG2 3.83Å; I1330-R1360 PolarHBondContact O-NH2 3.46Å |
| 1331 | G | 87.1 | Confident | 65.8 | Low | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 130.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1226 E1346 | I1226-G1331 CarbonylContact O-C 3.55Å; I1226-G1331 WeakPolarHBondContact O-CA 3.49Å; G1331-E1346 WeakPolarHBondContact CA-OE2 3.3Å; G1331-E1346 PolarHBondContact N-O 2.92Å; G1331-E1346 PolarHBondContact O-N 3.39Å |
| 1332 | V | 82.1 | Confident | 64.9 | Low | 19 Ų | 19 | 37.7 Ų | 37.7 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 103.6 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | G1225 I1226 F1306 V1329 S1334 | G1225-V1332 WeakPolarHBondContact CA-O 3.5Å; I1226-V1332 PolarHBondContact N-O 3.11Å; I1226-V1332 PolarHBondContact O-N 2.71Å; F1306-V1332 HydrophobicContact CB-CG2 4.48Å; V1329-V1332 HydrophobicContact CG1-CG2 3.4Å; V1332-S1334 PolarHBondContact O-N 3.2Å; V1332-S1334 PolarHBondContact O-OG 3.27Å |
| 1333 | P | 72 | Confident | 64.5 | Low | 21 Ų | 21 | 39.1 Ų | 39.1 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | trans | -56.6 | 125.6 | 162.5 | -14.7 | 28 | 0 | 0 | 0 | 108.4 | Y1227 Q1343 L1344 | Y1227-P1333 HydrophobicContact CE1-CG 4.37Å; Y1227-P1333 WeakPolarHBondContact OH-CA 3.31Å; Y1227-P1333 WeakPolarHBondContact OH-CB 3.35Å; Y1227-P1333 WeakPolarHBondContact OH-CG 3.38Å; P1333-Q1343 HydrophobicContact CB-CB 4.13Å; P1333-Q1343 HydrophobicContact CB-CG 4.32Å; P1333-Q1343 HydrophobicContact CG-CB 4.45Å; P1333-Q1343 PolarHBondContact O-OE1 3.11Å; P1333-L1344 WeakPolarHBondContact CD-O 3.43Å; P1333-L1344 WeakPolarHBondContact CG-O 3.45Å | ||
| 1334 | S | 60.3 | Low | 64.5 | Low | 25 Ų | 25 | 38.4 Ų | 38.4 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | trans | -111.7 | 160.6 | -172 | -32 | 0 | 0 | 0 | 0 | 111.5 | K1224 G1225 V1332 | K1224-S1334 WeakPolarHBondContact CB-O 3.23Å; K1224-S1334 WeakPolarHBondContact O-CB 3.42Å; K1224-S1334 PolarHBondContact O-OG 3.47Å; G1225-S1334 WeakPolarHBondContact CA-OG 3.42Å; V1332-S1334 PolarHBondContact O-N 3.2Å; V1332-S1334 PolarHBondContact O-OG 3.27Å | ||
| 1335 | G | 48.8 | Very low | 64.9 | Low | 41 Ų | 41 | 38.1 Ų | 38.1 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | cis | -138.1 | 162 | 7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1337 | G1335-G1337 PolarHBondContact O-N 2.7Š| ||
| 1336 | V | 33.3 | Very low | 65.3 | Low | 80 Ų | 80 | 37.9 Ų | 37.9 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 67.9 | -169.7 | 178.6 | 0 | 0 | 0 | 0 | 112 | R905 S1304 | R905-V1336 PolarHBondContact NH1-O 2.96Å; R905-V1336 VanDerWaalsContact NH1-O 3.14Å; S1304-V1336 WeakPolarHBondContact O-CG2 3.37Å |
| 1337 | G | 33.6 | Very low | 65.5 | Low | 66 Ų | 66 | 36.6 Ų | 36.6 | 68% | 0.68 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -170.1 | -14.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G1335 | G1335-G1337 PolarHBondContact O-N 2.7Š|
| 1338 | S | 33 | Very low | 65.6 | Low | 53 Ų | 53 | 36.6 Ų | 36.6 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -150.2 | 128.8 | -179.3 | 71.1 | 0 | 0 | 0 | 0 | 115.7 | K1340 | S1338-K1340 PolarHBondContact O-N 3.19Š|
| 1339 | Q | 40 | Very low | 65.5 | Low | 32 Ų | 32 | 36.6 Ų | 36.6 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 75.7 | -6 | 138.6 | -65.6 | -91.1 | -15 | 0 | 0 | 121.1 | A920 | A920-Q1339 HydrophobicContact CB-CB 4Å; A920-Q1339 HydrophobicContact CB-CG 3.58Å |
| 1340 | K | 42.1 | Very low | 65.2 | Low | 102 Ų | 102 | 37 Ų | 37 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | trans | -140.8 | 108.9 | 167.2 | -68 | -163.6 | -177.9 | -171.9 | 0 | 113.9 | S950 S1338 E1342 Q1343 | S950-K1340 VanDerWaalsContact CB-NZ 3.25Å; S950-K1340 PolarHBondContact OG-NZ 2.75Å; S1338-K1340 PolarHBondContact O-N 3.19Å; K1340-E1342 VanDerWaalsContact C-N 3.28Å; K1340-E1342 PolarHBondContact O-N 3.41Å; K1340-Q1343 HydrophobicContact CB-CG 4.02Å | ||
| 1341 | S | 41 | Very low | 64.5 | Low | 88 Ų | 88 | 40 Ų | 40 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.3 | 174.8 | 45.8 | 0 | 0 | 0 | 0 | 114.6 | H1370 | S1341-H1370 PolarHBondContact O-NE2 3.27Š|
| 1342 | E | 50.7 | Low | 64 | Low | 99 Ų | 99 | 44.1 Ų | 44.1 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7.7 | -173.4 | -56.5 | 177.8 | 142.6 | 0 | 0 | 113.9 | K1340 L1344 | K1340-E1342 VanDerWaalsContact C-N 3.28Å; K1340-E1342 PolarHBondContact O-N 3.41Å; E1342-L1344 PolarHBondContact O-N 3.31Å |
| 1343 | Q | 60.7 | Low | 63.4 | Low | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | trans | -75.3 | 97.2 | -172.1 | -70 | -169 | -2.9 | 0 | 0 | 112.1 | P1333 K1340 P1371 | P1333-Q1343 HydrophobicContact CB-CB 4.13Å; P1333-Q1343 HydrophobicContact CB-CG 4.32Å; P1333-Q1343 HydrophobicContact CG-CB 4.45Å; P1333-Q1343 PolarHBondContact O-OE1 3.11Å; K1340-Q1343 HydrophobicContact CB-CG 4.02Å; Q1343-P1371 WeakPolarHBondContact O-CD 3.16Å | ||
| 1344 | L | 73.7 | Confident | 62.9 | Low | 60 Ų | 60 | 45.8 Ų | 45.8 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 136.2 | 174.7 | -52.3 | -180 | 0 | 0 | 0 | 111.5 | P1333 E1342 L1368 V1369 H1370 | P1333-L1344 WeakPolarHBondContact CD-O 3.43Å; P1333-L1344 WeakPolarHBondContact CG-O 3.45Å; E1342-L1344 PolarHBondContact O-N 3.31Å; L1344-L1368 HydrophobicContact CB-CB 3.98Å; L1344-L1368 HydrophobicContact CB-CD2 4.4Å; L1344-L1368 HydrophobicContact CD1-CB 3.76Å; L1344-V1369 WeakPolarHBondContact CA-O 3.21Å; L1344-H1370 HydrophobicContact CD2-CB 3.83Å |
| 1345 | V | 80.6 | Confident | 63 | Low | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.8 | 174.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | F1306 V1329 V1347 V1369 P1371 L1374 | F1306-V1345 HydrophobicContact CD2-CG2 4.14Å; V1329-V1345 HydrophobicContact CB-CG1 4.32Å; V1329-V1345 HydrophobicContact CG1-CG1 3.58Å; V1329-V1345 HydrophobicContact CG2-CG1 3.94Å; V1345-V1347 HydrophobicContact CB-CG2 4.46Å; V1345-V1347 HydrophobicContact CG1-CG2 4.06Å; V1345-V1369 PolarHBondContact N-O 3.28Å; V1345-V1369 PolarHBondContact O-N 2.8Å; V1345-P1371 HydrophobicContact CG2-CG 3.89Å; V1345-L1374 HydrophobicContact CB-CD1 4.11Å; V1345-L1374 HydrophobicContact CG1-CD1 4.34Å; V1345-L1374 HydrophobicContact CG2-CD1 4.44Å |
| 1346 | E | 89.2 | Confident | 64.1 | Low | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.2 | 170.7 | -60.1 | 178.3 | 160.6 | 0 | 0 | 109.4 | Y1227 I1330 G1331 I1359 R1360 L1368 | Y1227-E1346 WeakPolarHBondContact CD1-OE2 3.29Å; I1330-E1346 HydrophobicContact CD1-CB 4.31Å; I1330-E1346 HydrophobicContact CG1-CB 3.78Å; I1330-E1346 WeakPolarHBondContact CG1-O 3.5Å; I1330-E1346 PolarHBondContact N-O 3.18Å; G1331-E1346 WeakPolarHBondContact CA-OE2 3.3Å; G1331-E1346 PolarHBondContact N-O 2.92Å; G1331-E1346 PolarHBondContact O-N 3.39Å; E1346-I1359 HydrophobicContact CB-CD1 3.89Å; E1346-I1359 HydrophobicContact CG-CD1 3.93Å; E1346-R1360 IonicContact OE1-CZ 3.64Å; E1346-R1360 IonicContact OE1-NH1 3.12Å; E1346-R1360 PolarHBondContact OE1-NH1 3.35Å; E1346-R1360 IonicContact OE2-CZ 2.68Å; E1346-R1360 IonicContact OE2-NH1 3.27Å; E1346-R1360 PolarHBondContact OE2-NH1 2.9Å; E1346-R1360 IonicContact OE2-NH2 2.69Å; E1346-R1360 PolarHBondContact OE2-NH2 3.46Å; E1346-L1368 HydrophobicContact CG-CD2 3.67Å |
| 1347 | V | 89.3 | Confident | 66.1 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.2 | -180 | -178.2 | 0 | 0 | 0 | 0 | 110 | V1312 I1328 V1329 V1345 F1349 C1366 A1367 V1369 L1374 | V1312-V1347 HydrophobicContact CG2-CG1 3.66Å; V1312-V1347 HydrophobicContact CG2-CG2 4.3Å; I1328-V1347 CarbonylContact O-C 3.6Å; I1328-V1347 WeakPolarHBondContact O-CA 3.36Å; V1329-V1347 HydrophobicContact CG2-CG2 4.44Å; V1345-V1347 HydrophobicContact CB-CG2 4.46Å; V1345-V1347 HydrophobicContact CG1-CG2 4.06Å; V1347-F1349 HydrophobicContact CB-CD2 4.45Å; V1347-F1349 HydrophobicContact CB-CE2 3.79Å; V1347-F1349 HydrophobicContact CB-CZ 3.96Å; V1347-F1349 HydrophobicContact CG1-CD1 4.24Å; V1347-F1349 HydrophobicContact CG1-CD2 4.05Å; V1347-F1349 HydrophobicContact CG1-CE1 3.85Å; V1347-F1349 HydrophobicContact CG1-CE2 3.65Å; V1347-F1349 HydrophobicContact CG1-CG 4.35Å; V1347-F1349 HydrophobicContact CG1-CZ 3.55Å; V1347-C1366 CarbonylContact O-C 3.43Å; V1347-C1366 WeakPolarHBondContact O-CA 3.34Å; V1347-C1366 WeakPolarHBondContact O-CB 3.49Å; V1347-A1367 PolarHBondContact N-O 3.31Å; V1347-A1367 PolarHBondContact O-N 2.94Å; V1347-V1369 HydrophobicContact CB-CG2 4.42Å; V1347-V1369 HydrophobicContact CG2-CB 4.47Å; V1347-V1369 HydrophobicContact CG2-CG2 4.34Å; V1347-L1374 HydrophobicContact CG2-CD1 3.62Å; V1347-L1374 HydrophobicContact CG2-CD2 4.07Å |
| 1348 | M | 91 | Very high | 68.4 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.5 | 168.9 | -176.9 | 173.4 | -175.4 | 0 | 0 | 109.8 | K1237 L1241 G1327 I1328 I1330 F1365 | K1237-M1348 HydrophobicContact CB-CE 3.95Å; K1237-M1348 HydrophobicContact CD-CE 4.41Å; K1237-M1348 HydrophobicContact CG-CE 3.93Å; L1241-M1348 HydrophobicContact CD1-CE 4.08Å; L1241-M1348 HydrophobicContact CG-CE 4.41Å; G1327-M1348 CarbonylContact C-O 3.48Å; G1327-M1348 WeakPolarHBondContact CA-O 3.41Å; I1328-M1348 PolarHBondContact N-O 3.38Å; I1328-M1348 PolarHBondContact O-N 3.39Å; I1330-M1348 HydrophobicContact CD1-CB 4.19Å; I1330-M1348 HydrophobicContact CG1-CB 4.4Å; I1330-M1348 HydrophobicContact CG2-CB 3.68Å; M1348-F1365 HydrophobicContact CE-CB 4.03Å; M1348-F1365 HydrophobicContact CE-CG 4.26Å; M1348-F1365 HydrophobicContact CG-CB 4.19Å |
| 1349 | F | 88 | Confident | 70.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 158.2 | -178 | -66.7 | -84.9 | 0 | 0 | 0 | 112.8 | I1321 L1325 H1326 V1347 R1351 F1353 F1365 A1367 V1369 | I1321-F1349 HydrophobicContact CD1-CE2 4.39Å; I1321-F1349 HydrophobicContact CD1-CZ 4.44Å; I1321-F1349 HydrophobicContact CG2-CE1 4.19Å; I1321-F1349 HydrophobicContact CG2-CE2 4.22Å; I1321-F1349 HydrophobicContact CG2-CZ 3.94Å; L1325-F1349 HydrophobicContact CB-CD1 4.02Å; L1325-F1349 HydrophobicContact CB-CE1 4.48Å; L1325-F1349 HydrophobicContact CD2-CB 3.6Å; L1325-F1349 HydrophobicContact CD2-CD1 3.86Å; L1325-F1349 HydrophobicContact CD2-CG 3.78Å; L1325-F1349 HydrophobicContact CG-CB 3.88Å; L1325-F1349 HydrophobicContact CG-CD1 3.68Å; L1325-F1349 HydrophobicContact CG-CG 4.05Å; L1325-F1349 WeakPolarHBondContact O-CE1 3.2Å; H1326-F1349 CarbonylContact O-C 3.53Å; H1326-F1349 VanDerWaalsContact O-CA 3.32Å; H1326-F1349 WeakPolarHBondContact O-CA 3.45Å; H1326-F1349 WeakPolarHBondContact O-CD1 3.26Å; V1347-F1349 HydrophobicContact CB-CD2 4.45Å; V1347-F1349 HydrophobicContact CB-CE2 3.79Å; V1347-F1349 HydrophobicContact CB-CZ 3.96Å; V1347-F1349 HydrophobicContact CG1-CD1 4.24Å; V1347-F1349 HydrophobicContact CG1-CD2 4.05Å; V1347-F1349 HydrophobicContact CG1-CE1 3.85Å; V1347-F1349 HydrophobicContact CG1-CE2 3.65Å; V1347-F1349 HydrophobicContact CG1-CG 4.35Å; V1347-F1349 HydrophobicContact CG1-CZ 3.55Å; F1349-R1351 PolarHBondContact O-N 2.96Å; F1349-F1353 HydrophobicContact CB-CD1 4.4Å; F1349-F1353 HydrophobicContact CB-CE1 3.95Å; F1349-F1353 AromaticContact CD2-CE1 3.54Å; F1349-F1353 HydrophobicContact CD2-CE1 3.54Å; F1349-F1353 AromaticContact CD2-CZ 3.8Å; F1349-F1353 HydrophobicContact CD2-CZ 3.8Å; F1349-F1353 HydrophobicContact CE2-CE1 4.37Å; F1349-F1353 HydrophobicContact CE2-CZ 4.23Å; F1349-F1353 AromaticContact CG-CE1 3.98Å; F1349-F1353 HydrophobicContact CG-CE1 3.98Å; F1349-F1365 WeakPolarHBondContact CB-O 3.19Å; F1349-F1365 PolarHBondContact N-O 3.29Å; F1349-A1367 HydrophobicContact CE2-CB 4.15Å; F1349-V1369 HydrophobicContact CE2-CG2 4.17Å; F1349-V1369 HydrophobicContact CZ-CG2 4.14Å |
| 1350 | C | 82.8 | Confident | 72.8 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -72.2 | -7.4 | -176.9 | 65.7 | 0 | 0 | 0 | 0 | 114.7 | Y1240 H1326 | Y1240-C1350 HydrophobicContact CE1-CB 3.98Å; H1326-C1350 PolarHBondContact O-N 3.49Å; H1326-C1350 PolarHBondContact O-SG 3.15Å; H1326-C1350 VanDerWaalsContact O-SG 3.41Å |
| 1351 | R | 75.5 | Confident | 74.3 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -144.1 | 158.7 | 179.5 | -60.1 | -179.9 | 175.5 | -162 | -4.8 | 110.3 | C1249 L1325 F1349 | C1249-R1351 PolarHBondContact O-NH1 3.26Å; C1249-R1351 PolarHBondContact O-NH2 3.19Å; L1325-R1351 HydrophobicContact CD1-CB 4.09Å; L1325-R1351 HydrophobicContact CD1-CG 4.34Å; F1349-R1351 PolarHBondContact O-N 2.96Å |
| 1352 | T | 75.5 | Confident | 76.1 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | trans | -71.9 | 146 | 167.3 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | P1364 F1365 | T1352-P1364 VanDerWaalsContact CA-O 3.29Å; T1352-P1364 WeakPolarHBondContact CA-O 3.42Å; T1352-P1364 WeakPolarHBondContact CB-O 3.47Å; T1352-P1364 HydrophobicContact CG2-CG 4.19Å; T1352-P1364 WeakPolarHBondContact CG2-O 3.49Å; T1352-F1365 HydrophobicContact CG2-CD1 3.95Å; T1352-F1365 HydrophobicContact CG2-CD2 4.43Å; T1352-F1365 HydrophobicContact CG2-CE1 3.5Å; T1352-F1365 HydrophobicContact CG2-CE2 4.03Å; T1352-F1365 HydrophobicContact CG2-CG 4.39Å; T1352-F1365 HydrophobicContact CG2-CZ 3.54Å | ||
| 1353 | F | 70.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 32.3 Ų | 32.3 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | trans | -144.1 | 173.4 | 177.6 | 56 | -82.6 | 0 | 0 | 0 | 111.4 | I1321 P1322 L1325 F1349 D1355 A1356 C1366 A1367 | I1321-F1353 HydrophobicContact CB-CD2 4.4Å; I1321-F1353 HydrophobicContact CB-CE2 4.29Å; I1321-F1353 HydrophobicContact CG1-CD2 4.18Å; I1321-F1353 HydrophobicContact CG1-CE2 3.63Å; I1321-F1353 HydrophobicContact CG1-CZ 4.24Å; I1321-F1353 HydrophobicContact CG2-CD2 4.49Å; I1321-F1353 HydrophobicContact CG2-CE2 4.38Å; P1322-F1353 HydrophobicContact CG-CB 3.92Å; L1325-F1353 HydrophobicContact CD2-CB 4.36Å; L1325-F1353 HydrophobicContact CD2-CD1 3.52Å; L1325-F1353 HydrophobicContact CD2-CE1 4.12Å; L1325-F1353 HydrophobicContact CD2-CG 4.07Å; F1349-F1353 HydrophobicContact CB-CD1 4.4Å; F1349-F1353 HydrophobicContact CB-CE1 3.95Å; F1349-F1353 AromaticContact CD2-CE1 3.54Å; F1349-F1353 HydrophobicContact CD2-CE1 3.54Å; F1349-F1353 AromaticContact CD2-CZ 3.8Å; F1349-F1353 HydrophobicContact CD2-CZ 3.8Å; F1349-F1353 HydrophobicContact CE2-CE1 4.37Å; F1349-F1353 HydrophobicContact CE2-CZ 4.23Å; F1349-F1353 AromaticContact CG-CE1 3.98Å; F1349-F1353 HydrophobicContact CG-CE1 3.98Å; F1353-D1355 PolarHBondContact O-N 3.31Å; F1353-A1356 HydrophobicContact CD1-CB 3.73Å; F1353-A1356 HydrophobicContact CD2-CB 3.86Å; F1353-A1356 HydrophobicContact CE1-CB 3.54Å; F1353-A1356 HydrophobicContact CE2-CB 3.64Å; F1353-A1356 HydrophobicContact CG-CB 3.87Å; F1353-A1356 HydrophobicContact CZ-CB 3.48Å; F1353-A1356 VanDerWaalsContact CZ-CB 3.48Å; F1353-A1356 VanDerWaalsContact O-CB 3.26Å; F1353-A1356 WeakPolarHBondContact O-CB 3.27Å; F1353-A1356 PolarHBondContact O-N 3.23Å; F1353-C1366 WeakPolarHBondContact CZ-O 3.37Å; F1353-A1367 HydrophobicContact CE2-CB 4.24Å; F1353-A1367 HydrophobicContact CZ-CB 3.88Å | ||
| 1354 | T | 61.1 | Low | 78.4 | Confident | 47 Ų | 47 | 32.5 Ų | 32.5 | 29% | 0.288 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.8 | 173.8 | -3.3 | 0 | 0 | 0 | 0 | 110.3 | L29 A1356 | L29-T1354 HydrophobicContact CD2-CG2 4.32Å; T1354-A1356 PolarHBondContact O-N 3.01Å; T1354-A1356 VanDerWaalsContact O-N 3.12Å |
| 1355 | D | 63 | Low | 78.9 | Confident | 57 Ų | 57 | 31.1 Ų | 31.1 | 31% | 0.305 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 17.4 | 176.9 | -42.2 | -37.6 | 0 | 0 | 0 | 114.5 | L29 N1320 F1353 I1357 | L29-D1355 WeakPolarHBondContact CD1-OD1 3.25Å; N1320-D1355 WeakPolarHBondContact CB-OD2 3.2Å; N1320-D1355 PolarHBondContact ND2-OD2 3.31Å; F1353-D1355 PolarHBondContact O-N 3.31Å; D1355-I1357 PolarHBondContact O-N 2.9Å |
| 1356 | A | 72.1 | Confident | 79.3 | Confident | 14 Ų | 14 | 31 Ų | 31 | 12% | 0.116 | 17% | 0.174 | C | C | . | . | trans | -62.9 | 117 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1353 T1354 P1364 C1366 | F1353-A1356 HydrophobicContact CD1-CB 3.73Å; F1353-A1356 HydrophobicContact CD2-CB 3.86Å; F1353-A1356 HydrophobicContact CE1-CB 3.54Å; F1353-A1356 HydrophobicContact CE2-CB 3.64Å; F1353-A1356 HydrophobicContact CG-CB 3.87Å; F1353-A1356 HydrophobicContact CZ-CB 3.48Å; F1353-A1356 VanDerWaalsContact CZ-CB 3.48Å; F1353-A1356 VanDerWaalsContact O-CB 3.26Å; F1353-A1356 WeakPolarHBondContact O-CB 3.27Å; F1353-A1356 PolarHBondContact O-N 3.23Å; T1354-A1356 PolarHBondContact O-N 3.01Å; T1354-A1356 VanDerWaalsContact O-N 3.12Å; A1356-P1364 VanDerWaalsContact CB-C 3.48Å; A1356-P1364 HydrophobicContact CB-CB 4.29Å; A1356-P1364 VanDerWaalsContact CB-O 3.26Å; A1356-P1364 WeakPolarHBondContact CB-O 3.49Å; A1356-P1364 WeakPolarHBondContact O-CB 3.37Å; A1356-C1366 CarbonylContact C-O 3.6Å; A1356-C1366 WeakPolarHBondContact CA-O 3.42Å | ||
| 1357 | I | 75 | Confident | 79 | Confident | 57 Ų | 57 | 30.7 Ų | 30.7 | 29% | 0.292 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 151.2 | -178.4 | 50 | 168.7 | 0 | 0 | 0 | 111.8 | D1355 I1359 C1366 L1368 | D1355-I1357 PolarHBondContact O-N 2.9Å; I1357-I1359 HydrophobicContact CD1-CD1 3.87Å; I1357-I1359 HydrophobicContact CD1-CG1 3.74Å; I1357-I1359 HydrophobicContact CG1-CD1 4.4Å; I1357-I1359 HydrophobicContact CG1-CG1 4.01Å; I1357-I1359 PolarHBondContact O-N 2.93Å; I1357-C1366 HydrophobicContact CG1-CB 4.44Å; I1357-C1366 WeakPolarHBondContact CG1-O 3.38Å; I1357-C1366 PolarHBondContact N-O 2.72Å; I1357-C1366 WeakPolarHBondContact O-CB 3.42Å; I1357-C1366 PolarHBondContact O-N 3.5Å; I1357-L1368 HydrophobicContact CD1-CD1 4.42Å; I1357-L1368 HydrophobicContact CD1-CG 4.09Å |
| 1358 | D | 81.8 | Confident | 78.7 | Confident | 94 Ų | 94 | 33.1 Ų | 33.1 | 50% | 0.503 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 95.4 | 168.8 | -170.5 | -12.5 | 0 | 0 | 0 | 110.1 | R1360 G1361 S1362 G1363 | D1358-R1360 PolarHBondContact O-N 3.04Å; D1358-G1361 WeakPolarHBondContact OD1-CA 3.34Å; D1358-G1361 PolarHBondContact OD1-N 2.83Å; D1358-S1362 PolarHBondContact OD1-N 2.9Å; D1358-S1362 PolarHBondContact OD1-OG 3.48Å; D1358-G1363 WeakPolarHBondContact CA-O 2.97Å; D1358-G1363 VanDerWaalsContact CG-CA 3.47Å; D1358-G1363 PolarHBondContact OD1-N 3.12Å; D1358-G1363 WeakPolarHBondContact OD2-CA 3.16Å; D1358-G1363 PolarHBondContact OD2-N 3.3Å |
| 1359 | I | 81 | Confident | 78 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -80 | 105 | 171.9 | -64.4 | -173.1 | 0 | 0 | 0 | 108.3 | L1233 I1330 E1346 I1357 G1361 S1362 C1366 | L1233-I1359 HydrophobicContact CD1-CG2 4.49Å; I1330-I1359 HydrophobicContact CD1-CB 4.1Å; I1330-I1359 HydrophobicContact CD1-CD1 4.3Å; I1330-I1359 HydrophobicContact CD1-CG2 3.83Å; E1346-I1359 HydrophobicContact CB-CD1 3.89Å; E1346-I1359 HydrophobicContact CG-CD1 3.93Å; I1357-I1359 HydrophobicContact CD1-CD1 3.87Å; I1357-I1359 HydrophobicContact CD1-CG1 3.74Å; I1357-I1359 HydrophobicContact CG1-CD1 4.4Å; I1357-I1359 HydrophobicContact CG1-CG1 4.01Å; I1357-I1359 PolarHBondContact O-N 2.93Å; I1359-G1361 VanDerWaalsContact C-N 3.26Å; I1359-G1361 PolarHBondContact O-N 3.11Å; I1359-S1362 PolarHBondContact N-OG 3.24Å; I1359-S1362 WeakPolarHBondContact O-CB 3.13Å; I1359-S1362 PolarHBondContact O-N 2.71Å; I1359-S1362 PolarHBondContact O-OG 2.99Å; I1359-C1366 HydrophobicContact CB-CB 3.92Å; I1359-C1366 HydrophobicContact CD1-CB 3.7Å; I1359-C1366 HydrophobicContact CG1-CB 3.62Å |
| 1360 | R | 83.2 | Confident | 77.2 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 13% | 0.125 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 19.8 | 168.3 | -53.8 | -174.2 | -80.2 | -82.9 | 4.6 | 115.8 | L1146 P1219 L1228 K1230 L1233 I1330 E1346 D1358 | L1146-R1360 VanDerWaalsContact CD2-CD 3.43Å; P1219-R1360 HydrophobicContact CB-CG 4.31Å; P1219-R1360 HydrophobicContact CG-CB 4.48Å; P1219-R1360 HydrophobicContact CG-CG 3.68Å; L1228-R1360 VanDerWaalsContact O-CZ 3.25Å; L1228-R1360 PolarHBondContact O-NE 3.08Å; L1228-R1360 PolarHBondContact O-NH2 3.4Å; K1230-R1360 WeakPolarHBondContact CB-O 3.38Å; K1230-R1360 WeakPolarHBondContact CD-O 3.45Å; K1230-R1360 WeakPolarHBondContact CG-O 3.4Å; L1233-R1360 HydrophobicContact CD1-CB 3.81Å; L1233-R1360 HydrophobicContact CD1-CG 4.45Å; I1330-R1360 PolarHBondContact O-NH2 3.46Å; E1346-R1360 IonicContact OE1-CZ 3.64Å; E1346-R1360 IonicContact OE1-NH1 3.12Å; E1346-R1360 PolarHBondContact OE1-NH1 3.35Å; E1346-R1360 IonicContact OE2-CZ 2.68Å; E1346-R1360 IonicContact OE2-NH1 3.27Å; E1346-R1360 PolarHBondContact OE2-NH1 2.9Å; E1346-R1360 IonicContact OE2-NH2 2.69Å; E1346-R1360 PolarHBondContact OE2-NH2 3.46Å; D1358-R1360 PolarHBondContact O-N 3.04Å |
| 1361 | G | 74.5 | Confident | 76.6 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | 16.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | D1358 I1359 G1363 | D1358-G1361 WeakPolarHBondContact OD1-CA 3.34Å; D1358-G1361 PolarHBondContact OD1-N 2.83Å; I1359-G1361 VanDerWaalsContact C-N 3.26Å; I1359-G1361 PolarHBondContact O-N 3.11Å; G1361-G1363 PolarHBondContact O-N 3.1Å |
| 1362 | S | 79.3 | Confident | 76 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -65.1 | -24.4 | 166.4 | 62 | 0 | 0 | 0 | 0 | 112.3 | K1237 D1358 I1359 F1365 C1366 | K1237-S1362 WeakPolarHBondContact CD-O 3.32Å; K1237-S1362 VanDerWaalsContact CE-O 3.28Å; K1237-S1362 WeakPolarHBondContact CE-O 3.44Å; K1237-S1362 PolarHBondContact NZ-O 2.94Å; D1358-S1362 PolarHBondContact OD1-N 2.9Å; D1358-S1362 PolarHBondContact OD1-OG 3.48Å; I1359-S1362 PolarHBondContact N-OG 3.24Å; I1359-S1362 WeakPolarHBondContact O-CB 3.13Å; I1359-S1362 PolarHBondContact O-N 2.71Å; I1359-S1362 PolarHBondContact O-OG 2.99Å; S1362-F1365 WeakPolarHBondContact O-CD2 3.38Å; S1362-C1366 PolarHBondContact OG-SG 3.18Å |
| 1363 | G | 77 | Confident | 75.9 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | trans | 77.2 | -177.6 | -162 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1358 G1361 F1365 | D1358-G1363 WeakPolarHBondContact CA-O 2.97Å; D1358-G1363 VanDerWaalsContact CG-CA 3.47Å; D1358-G1363 PolarHBondContact OD1-N 3.12Å; D1358-G1363 WeakPolarHBondContact OD2-CA 3.16Å; D1358-G1363 PolarHBondContact OD2-N 3.3Å; G1361-G1363 PolarHBondContact O-N 3.1Å; G1363-F1365 PolarHBondContact O-N 2.97Å | ||
| 1364 | P | 81.7 | Confident | 76.1 | Confident | 69 Ų | 69 | 30 Ų | 30 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 65.1 | -170.8 | 33.2 | -37.8 | 0 | 0 | 0 | 112.7 | T1352 A1356 | T1352-P1364 VanDerWaalsContact CA-O 3.29Å; T1352-P1364 WeakPolarHBondContact CA-O 3.42Å; T1352-P1364 WeakPolarHBondContact CB-O 3.47Å; T1352-P1364 HydrophobicContact CG2-CG 4.19Å; T1352-P1364 WeakPolarHBondContact CG2-O 3.49Å; A1356-P1364 VanDerWaalsContact CB-C 3.48Å; A1356-P1364 HydrophobicContact CB-CB 4.29Å; A1356-P1364 VanDerWaalsContact CB-O 3.26Å; A1356-P1364 WeakPolarHBondContact CB-O 3.49Å; A1356-P1364 WeakPolarHBondContact O-CB 3.37Å |
| 1365 | F | 85.5 | Confident | 76.8 | Confident | 32 Ų | 32 | 28 Ų | 28 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -7.3 | -178.6 | -66.2 | -89 | 0 | 0 | 0 | 112.4 | L1241 M1348 F1349 T1352 S1362 G1363 | L1241-F1365 HydrophobicContact CD1-CD1 3.84Å; L1241-F1365 HydrophobicContact CD1-CD2 4.35Å; L1241-F1365 HydrophobicContact CD1-CE1 3.49Å; L1241-F1365 VanDerWaalsContact CD1-CE1 3.49Å; L1241-F1365 HydrophobicContact CD1-CE2 4.06Å; L1241-F1365 HydrophobicContact CD1-CG 4.26Å; L1241-F1365 HydrophobicContact CD1-CZ 3.62Å; L1241-F1365 HydrophobicContact CD2-CD1 4.4Å; L1241-F1365 HydrophobicContact CD2-CE1 4.4Å; M1348-F1365 HydrophobicContact CE-CB 4.03Å; M1348-F1365 HydrophobicContact CE-CG 4.26Å; M1348-F1365 HydrophobicContact CG-CB 4.19Å; F1349-F1365 WeakPolarHBondContact CB-O 3.19Å; F1349-F1365 PolarHBondContact N-O 3.29Å; T1352-F1365 HydrophobicContact CG2-CD1 3.95Å; T1352-F1365 HydrophobicContact CG2-CD2 4.43Å; T1352-F1365 HydrophobicContact CG2-CE1 3.5Å; T1352-F1365 HydrophobicContact CG2-CE2 4.03Å; T1352-F1365 HydrophobicContact CG2-CG 4.39Å; T1352-F1365 HydrophobicContact CG2-CZ 3.54Å; S1362-F1365 WeakPolarHBondContact O-CD2 3.38Å; G1363-F1365 PolarHBondContact O-N 2.97Å |
| 1366 | C | 87.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 159.5 | -168.9 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | V1347 F1353 A1356 I1357 I1359 S1362 | V1347-C1366 CarbonylContact O-C 3.43Å; V1347-C1366 WeakPolarHBondContact O-CA 3.34Å; V1347-C1366 WeakPolarHBondContact O-CB 3.49Å; F1353-C1366 WeakPolarHBondContact CZ-O 3.37Å; A1356-C1366 CarbonylContact C-O 3.6Å; A1356-C1366 WeakPolarHBondContact CA-O 3.42Å; I1357-C1366 HydrophobicContact CG1-CB 4.44Å; I1357-C1366 WeakPolarHBondContact CG1-O 3.38Å; I1357-C1366 PolarHBondContact N-O 2.72Å; I1357-C1366 WeakPolarHBondContact O-CB 3.42Å; I1357-C1366 PolarHBondContact O-N 3.5Å; I1359-C1366 HydrophobicContact CB-CB 3.92Å; I1359-C1366 HydrophobicContact CD1-CB 3.7Å; I1359-C1366 HydrophobicContact CG1-CB 3.62Å; S1362-C1366 PolarHBondContact OG-SG 3.18Å |
| 1367 | A | 83.9 | Confident | 77.7 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 161 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1321 V1347 F1349 F1353 V1369 | I1321-A1367 HydrophobicContact CD1-CB 3.65Å; I1321-A1367 HydrophobicContact CG1-CB 4.18Å; V1347-A1367 PolarHBondContact N-O 3.31Å; V1347-A1367 PolarHBondContact O-N 2.94Å; F1349-A1367 HydrophobicContact CE2-CB 4.15Å; F1353-A1367 HydrophobicContact CE2-CB 4.24Å; F1353-A1367 HydrophobicContact CZ-CB 3.88Å; A1367-V1369 HydrophobicContact CB-CG2 3.87Å |
| 1368 | L | 82.5 | Confident | 77.3 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115 | 163.6 | -70.9 | 168.9 | 0 | 0 | 0 | 107.8 | Q1319 L1344 E1346 I1357 | Q1319-L1368 PolarHBondContact NE2-O 2.67Å; L1344-L1368 HydrophobicContact CB-CB 3.98Å; L1344-L1368 HydrophobicContact CB-CD2 4.4Å; L1344-L1368 HydrophobicContact CD1-CB 3.76Å; E1346-L1368 HydrophobicContact CG-CD2 3.67Å; I1357-L1368 HydrophobicContact CD1-CD1 4.42Å; I1357-L1368 HydrophobicContact CD1-CG 4.09Å |
| 1369 | V | 76.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.8 | -169.5 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | Y1314 I1321 L1344 V1345 V1347 F1349 A1367 M1373 L1374 | Y1314-V1369 HydrophobicContact CD2-CG1 3.89Å; Y1314-V1369 HydrophobicContact CE2-CG1 3.75Å; I1321-V1369 HydrophobicContact CD1-CG2 3.6Å; L1344-V1369 WeakPolarHBondContact CA-O 3.21Å; V1345-V1369 PolarHBondContact N-O 3.28Å; V1345-V1369 PolarHBondContact O-N 2.8Å; V1347-V1369 HydrophobicContact CB-CG2 4.42Å; V1347-V1369 HydrophobicContact CG2-CB 4.47Å; V1347-V1369 HydrophobicContact CG2-CG2 4.34Å; F1349-V1369 HydrophobicContact CE2-CG2 4.17Å; F1349-V1369 HydrophobicContact CZ-CG2 4.14Å; A1367-V1369 HydrophobicContact CB-CG2 3.87Å; V1369-M1373 HydrophobicContact CG1-CB 3.81Å; V1369-L1374 HydrophobicContact CB-CD1 4.22Å; V1369-L1374 HydrophobicContact CB-CD2 4.19Å; V1369-L1374 HydrophobicContact CB-CG 4.23Å; V1369-L1374 HydrophobicContact CG1-CD1 4.21Å; V1369-L1374 HydrophobicContact CG1-CD2 3.69Å; V1369-L1374 HydrophobicContact CG1-CG 3.7Å |
| 1370 | H | 71.6 | Confident | 74.9 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | trans | -64.9 | 135.4 | 176 | -174.5 | -101.5 | 0 | 0 | 0 | 110.2 | S1341 L1344 S1372 M1373 | S1341-H1370 PolarHBondContact O-NE2 3.27Å; L1344-H1370 HydrophobicContact CD2-CB 3.83Å; H1370-S1372 PolarHBondContact CE1-OG 3.28Å; H1370-S1372 PolarHBondContact ND1-N 3.5Å; H1370-S1372 PolarHBondContact ND1-OG 2.83Å; H1370-S1372 PolarHBondContact O-N 2.87Å; H1370-M1373 HydrophobicContact CB-CG 4.19Å; H1370-M1373 WeakPolarHBondContact O-CB 3.48Å; H1370-M1373 PolarHBondContact O-N 2.67Å | ||
| 1371 | P | 70.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -47.4 | -36 | -177.8 | -30.6 | 32.6 | 0 | 0 | 0 | 115.5 | F1303 F1306 Q1343 V1345 M1373 L1374 | F1303-P1371 CarbonylContact O-C 3.57Å; F1303-P1371 VanDerWaalsContact O-C 3.32Å; F1303-P1371 WeakPolarHBondContact O-CB 3.38Å; F1306-P1371 HydrophobicContact CD2-CB 4.19Å; F1306-P1371 HydrophobicContact CE2-CB 3.89Å; F1306-P1371 WeakPolarHBondContact CE2-O 3.4Å; Q1343-P1371 WeakPolarHBondContact O-CD 3.16Å; V1345-P1371 HydrophobicContact CG2-CG 3.89Å; P1371-M1373 PolarHBondContact O-N 2.98Å; P1371-L1374 PolarHBondContact O-N 3.19Å |
| 1372 | S | 63.1 | Low | 71.1 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -70.8 | -7.5 | 177.6 | 76 | 0 | 0 | 0 | 0 | 115.9 | H1370 | H1370-S1372 PolarHBondContact CE1-OG 3.28Å; H1370-S1372 PolarHBondContact ND1-N 3.5Å; H1370-S1372 PolarHBondContact ND1-OG 2.83Å; H1370-S1372 PolarHBondContact O-N 2.87Å |
| 1373 | M | 72.3 | Confident | 69 | Low | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -100.7 | 6.5 | 179.7 | -55.7 | -55.7 | -164.9 | 0 | 0 | 112.2 | Y1314 I1315 G1316 V1369 H1370 P1371 | Y1314-M1373 HydrophobicContact CD2-CB 4.34Å; Y1314-M1373 WeakPolarHBondContact CD2-O 3.45Å; Y1314-M1373 HydrophobicContact CE2-CB 3.75Å; I1315-M1373 VanDerWaalsContact CG1-C 3.45Å; I1315-M1373 WeakPolarHBondContact CG1-O 3.41Å; I1315-M1373 PolarHBondContact N-O 2.79Å; G1316-M1373 WeakPolarHBondContact CA-SD 3.48Å; G1316-M1373 PolarHBondContact N-O 2.75Å; V1369-M1373 HydrophobicContact CG1-CB 3.81Å; H1370-M1373 HydrophobicContact CB-CG 4.19Å; H1370-M1373 WeakPolarHBondContact O-CB 3.48Å; H1370-M1373 PolarHBondContact O-N 2.67Å; P1371-M1373 PolarHBondContact O-N 2.98Å |
| 1374 | L | 75.5 | Confident | 66.9 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.8 | -178.3 | -63.5 | 174 | 0 | 0 | 0 | 111.1 | F1303 F1306 V1312 V1313 Y1314 V1345 V1347 V1369 P1371 | F1303-L1374 WeakPolarHBondContact CD1-O 3.24Å; F1303-L1374 VanDerWaalsContact CE1-O 3.27Å; F1303-L1374 WeakPolarHBondContact CE1-O 3.43Å; F1306-L1374 HydrophobicContact CE1-CB 3.97Å; F1306-L1374 HydrophobicContact CE1-CD1 4.48Å; F1306-L1374 HydrophobicContact CE2-CB 4.32Å; F1306-L1374 HydrophobicContact CZ-CB 3.6Å; F1306-L1374 HydrophobicContact CZ-CD1 4.36Å; V1312-L1374 HydrophobicContact CB-CB 4.44Å; V1312-L1374 HydrophobicContact CB-CD2 4.34Å; V1312-L1374 HydrophobicContact CG1-CB 4.49Å; V1312-L1374 HydrophobicContact CG2-CD2 4.1Å; V1313-L1374 WeakPolarHBondContact O-CA 3.31Å; Y1314-L1374 HydrophobicContact CD2-CD2 4.47Å; V1345-L1374 HydrophobicContact CB-CD1 4.11Å; V1345-L1374 HydrophobicContact CG1-CD1 4.34Å; V1345-L1374 HydrophobicContact CG2-CD1 4.44Å; V1347-L1374 HydrophobicContact CG2-CD1 3.62Å; V1347-L1374 HydrophobicContact CG2-CD2 4.07Å; V1369-L1374 HydrophobicContact CB-CD1 4.22Å; V1369-L1374 HydrophobicContact CB-CD2 4.19Å; V1369-L1374 HydrophobicContact CB-CG 4.23Å; V1369-L1374 HydrophobicContact CG1-CD1 4.21Å; V1369-L1374 HydrophobicContact CG1-CD2 3.69Å; V1369-L1374 HydrophobicContact CG1-CG 3.7Å; P1371-L1374 PolarHBondContact O-N 3.19Å |
| 1375 | L | 76.4 | Confident | 64.7 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.9 | 168.4 | -174.4 | 71.6 | 0 | 0 | 0 | 109.6 | L1007 Y1012 V1302 F1303 V1312 V1313 I1315 | L1007-L1375 HydrophobicContact CD2-CD1 4.16Å; L1007-L1375 HydrophobicContact CD2-CD2 3.82Å; Y1012-L1375 HydrophobicContact CD1-CD2 4.42Å; Y1012-L1375 HydrophobicContact CE1-CD1 4.3Å; Y1012-L1375 HydrophobicContact CE1-CD2 3.87Å; Y1012-L1375 HydrophobicContact CE1-CG 3.98Å; V1302-L1375 HydrophobicContact CG1-CD1 3.94Å; F1303-L1375 HydrophobicContact CE1-CD1 4.26Å; F1303-L1375 HydrophobicContact CZ-CD1 4.22Å; V1312-L1375 CarbonylContact C-O 3.52Å; V1312-L1375 VanDerWaalsContact CA-O 3.28Å; V1312-L1375 WeakPolarHBondContact CA-O 3.36Å; V1313-L1375 PolarHBondContact N-O 3.05Å; V1313-L1375 PolarHBondContact O-N 3.33Å; I1315-L1375 HydrophobicContact CD1-CB 4.49Å; I1315-L1375 HydrophobicContact CG2-CB 3.7Å |
| 1376 | R | 77.5 | Confident | 62.2 | Low | 91 Ų | 91 | 76.6 Ų | 76.6 | 34% | 0.343 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.7 | 174.8 | -170.8 | 178.5 | -175.9 | 167.6 | 4.4 | 110.4 | Y1012 S1305 F1306 T1307 D1310 | Y1012-R1376 WeakPolarHBondContact CE1-O 3.44Å; S1305-R1376 PolarHBondContact O-NH1 2.74Å; F1306-R1376 HydrophobicContact CE1-CB 4.07Å; T1307-R1376 PolarHBondContact OG1-NH2 3.24Å; D1310-R1376 IonicContact OD1-CZ 2.99Å; D1310-R1376 IonicContact OD1-NE 2.78Å; D1310-R1376 PolarHBondContact OD1-NE 2.72Å; D1310-R1376 IonicContact OD1-NH2 3.35Å; D1310-R1376 PolarHBondContact OD1-NH2 2.88Å; D1310-R1376 IonicContact OD2-CZ 2.72Å; D1310-R1376 IonicContact OD2-NE 3.24Å; D1310-R1376 PolarHBondContact OD2-NE 2.66Å; D1310-R1376 IonicContact OD2-NH1 2.75Å; D1310-R1376 IonicContact OD2-NH2 2.77Å; D1310-R1376 PolarHBondContact OD2-NH2 3.12Å |
| 1377 | L | 75.6 | Confident | 59.4 | Low | 30 Ų | 30 | 81.4 Ų | 81.4 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 135.2 | 176.8 | -62.4 | -178.9 | 0 | 0 | 0 | 110.6 | Y1012 K1311 V1313 | Y1012-L1377 HydrophobicContact CD1-CD2 4.25Å; K1311-L1377 HydrophobicContact CB-CB 4.28Å; K1311-L1377 HydrophobicContact CB-CD1 4.49Å; K1311-L1377 PolarHBondContact O-N 3.15Å; V1313-L1377 HydrophobicContact CG2-CD1 4.01Å; V1313-L1377 HydrophobicContact CG2-CD2 3.94Å; V1313-L1377 HydrophobicContact CG2-CG 4.17Å |
| 1378 | P | 67.5 | Low | 56.7 | Low | 76 Ų | 76 | 87.2 Ų | 87.2 | 49% | 0.494 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 146.2 | 175.5 | 30 | -34.5 | 0 | 0 | 0 | 111.9 | Y1012 | Y1012-P1378 HydrophobicContact CD1-CG 4.23Å; Y1012-P1378 HydrophobicContact CG-CG 4.4Å |
| 1379 | E | 60.8 | Low | 54.4 | Low | 165 Ų | 165 | 90.4 Ų | 90.4 | 77% | 0.771 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 132.3 | 170.6 | -62.3 | -176.8 | 134.6 | 0 | 0 | 110.3 | S1381 | E1379-S1381 PolarHBondContact O-N 2.88Å; E1379-S1381 VanDerWaalsContact O-N 3.15Å |
| 1380 | K | 52.3 | Low | 51.9 | Low | 179 Ų | 179 | 99.6 Ų | 99.6 | 78% | 0.778 | 52% | 0.518 | S | S | * | . | trans | -76.9 | 98.8 | 177.5 | -73.2 | 175.7 | 178.7 | 168 | 0 | 109.5 | D1035 | D1035-K1380 IonicContact OD2-NZ 3.03Š| ||
| 1381 | S | 39.5 | Very low | 49.8 | Very low | 87 Ų | 87 | 101.7 Ų | 101.7 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | trans | -69.1 | 130.3 | 165.9 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | E1379 D1383 | E1379-S1381 PolarHBondContact O-N 2.88Å; E1379-S1381 VanDerWaalsContact O-N 3.15Å; S1381-D1383 PolarHBondContact O-N 3.02Å | ||
| 1382 | D | 37.3 | Very low | 47.6 | Very low | 145 Ų | 145 | 110 Ų | 110 | 78% | 0.775 | 57% | 0.571 | S | S | * | * | trans | -70.4 | 86.3 | 177.2 | -99.7 | -46.4 | 0 | 0 | 0 | 111.5 | K1384 | D1382-K1384 PolarHBondContact O-N 3.49Š| ||
| 1383 | D | 34.9 | Very low | 45.7 | Very low | 126 Ų | 126 | 117 Ų | 117 | 67% | 0.674 | 61% | 0.608 | S | S | * | * | trans | -67.7 | 67.8 | 171.4 | -79 | -23.4 | 0 | 0 | 0 | 110.7 | K1009 S1381 | K1009-D1383 IonicContact NZ-OD2 2.66Å; S1381-D1383 PolarHBondContact O-N 3.02Å | ||
| 1384 | K | 33.7 | Very low | 43.5 | Very low | 167 Ų | 167 | 121.7 Ų | 121.7 | 73% | 0.726 | 64% | 0.637 | S | S | * | * | trans | -126.8 | 9.7 | -176.7 | -100.7 | -178 | -178.4 | 169.8 | 0 | 116.2 | D1382 | D1382-K1384 PolarHBondContact O-N 3.49Š| ||
| 1385 | H | 34.9 | Very low | 41 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.806 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -134.2 | 129.6 | 171.4 | -83.5 | -58.3 | 0 | 0 | 0 | 115.1 | ||
| 1386 | Q | 32.1 | Very low | 38.5 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | 71.9 | 109.1 | 152.8 | -64.1 | 178.9 | -1.8 | 0 | 0 | 118.8 | ||||
| 1387 | S | 29.2 | Very low | 36.1 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -62.7 | 155.7 | 156.8 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1388 | T | 28.2 | Very low | 33.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 70 | 145.6 | 167.3 | 59.5 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1389 | S | 32.7 | Very low | 31.6 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 70.1 | 145.7 | -167.8 | 79.2 | 0 | 0 | 0 | 0 | 115.1 | P1391 | S1389-P1391 WeakPolarHBondContact O-CD 3.44Š|
| 1390 | Q | 24.7 | Very low | 29.9 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -91 | 118.7 | -172.6 | -68.2 | 173.9 | -30 | 0 | 0 | 111.7 | ||||
| 1391 | P | 26.6 | Very low | 28.6 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -87.4 | 120 | 168.5 | 29.5 | -23.1 | 0 | 0 | 0 | 110.7 | S1389 L1393 | S1389-P1391 WeakPolarHBondContact O-CD 3.44Å; P1391-L1393 PolarHBondContact O-N 3.22Å; P1391-L1393 VanDerWaalsContact O-N 3.07Å | ||
| 1392 | K | 24.4 | Very low | 28 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -73.2 | 93.5 | 170.4 | -71.5 | -179.1 | 177.4 | 179.8 | 0 | 110 | T1394 | K1392-T1394 PolarHBondContact O-N 2.98Š| ||
| 1393 | L | 24.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -96.4 | 56 | 175.8 | -135.9 | 83.4 | 0 | 0 | 0 | 113.1 | P1391 R1395 | P1391-L1393 PolarHBondContact O-N 3.22Å; P1391-L1393 VanDerWaalsContact O-N 3.07Å; L1393-R1395 VanDerWaalsContact C-N 3.32Å; L1393-R1395 PolarHBondContact O-N 3.2Å | ||
| 1394 | T | 25.4 | Very low | 27 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -76.4 | 81.5 | 168.9 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | K1392 | K1392-T1394 PolarHBondContact O-N 2.98Š| ||
| 1395 | R | 23.1 | Very low | 26.8 | Very low | 226 Ų | 226 | 135.1 Ų | 135.1 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 123 | 143 | -93.6 | -173.5 | 171.9 | 176 | -2.6 | 105.8 | L1393 | L1393-R1395 VanDerWaalsContact C-N 3.32Å; L1393-R1395 PolarHBondContact O-N 3.2Å | ||
| 1396 | P | 23.6 | Very low | 26.4 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -59.1 | 144.6 | 173.4 | -21.2 | 32.8 | 0 | 0 | 0 | 109.7 | S1398 | P1396-S1398 VanDerWaalsContact C-N 3.25Å; P1396-S1398 PolarHBondContact O-N 3.26Å | ||
| 1397 | V | 26.2 | Very low | 26.4 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | trans | -60.5 | 104.9 | 144.7 | 176 | 0 | 0 | 0 | 0 | 104.1 | K1399 | V1397-K1399 PolarHBondContact O-N 3.39Š| ||
| 1398 | S | 25.7 | Very low | 26.3 | Very low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 71% | 0.708 | S | S | . | * | trans | -64.7 | 123.1 | -175.1 | 41.8 | 0 | 0 | 0 | 0 | 108.7 | P1396 | P1396-S1398 VanDerWaalsContact C-N 3.25Å; P1396-S1398 PolarHBondContact O-N 3.26Å | ||
| 1399 | K | 23.7 | Very low | 26.4 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -41.8 | 136.2 | 150 | -74 | -162 | 169.5 | -147.7 | 0 | 107 | V1397 V1401 | V1397-K1399 PolarHBondContact O-N 3.39Å; K1399-V1401 WeakPolarHBondContact O-CA 3.33Å; K1399-V1401 PolarHBondContact O-N 3.34Å | ||
| 1400 | P | 24.7 | Very low | 26.3 | Very low | 99 Ų | 99 | 129 Ų | 129 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -49.8 | 108.7 | -174 | 21.7 | -33.8 | 0 | 0 | 0 | 108.1 | Q1402 | P1400-Q1402 PolarHBondContact O-N 2.88Š| ||
| 1401 | V | 26.3 | Very low | 26.3 | Very low | 94 Ų | 94 | 125.9 Ų | 125.9 | 57% | 0.57 | 69% | 0.694 | S | S | * | * | trans | -64.2 | 117.8 | -161.7 | -175.9 | 0 | 0 | 0 | 0 | 106.4 | K1399 A1403 | K1399-V1401 WeakPolarHBondContact O-CA 3.33Å; K1399-V1401 PolarHBondContact O-N 3.34Å; V1401-A1403 WeakPolarHBondContact O-CA 3.21Å; V1401-A1403 PolarHBondContact O-N 3.12Å | ||
| 1402 | Q | 25.7 | Very low | 26.5 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | trans | -59.9 | 90.3 | 166.6 | -75.9 | -172.7 | -10.2 | 0 | 0 | 106 | P1400 S1404 | P1400-Q1402 PolarHBondContact O-N 2.88Å; Q1402-S1404 PolarHBondContact O-N 3.07Å | ||
| 1403 | A | 28.3 | Very low | 26.5 | Very low | 30 Ų | 30 | 129.9 Ų | 129.9 | 25% | 0.248 | 70% | 0.702 | C | S | . | * | trans | -70.1 | 107.7 | -151.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V1401 W1405 | V1401-A1403 WeakPolarHBondContact O-CA 3.21Å; V1401-A1403 PolarHBondContact O-N 3.12Å; A1403-W1405 HydrophobicContact CB-CD2 4.45Å; A1403-W1405 HydrophobicContact CB-CG 4.38Å; A1403-W1405 HydrophobicContact CB-CZ2 4.29Å; A1403-W1405 PolarHBondContact O-N 3.11Å | ||
| 1404 | S | 24.4 | Very low | 26.7 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -79.4 | 60.8 | -168.4 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | Q1402 V1406 | Q1402-S1404 PolarHBondContact O-N 3.07Å; S1404-V1406 PolarHBondContact O-N 2.93Å | ||
| 1405 | W | 28.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 47% | 0.47 | 71% | 0.709 | S | S | . | * | trans | -67.9 | 62.3 | 177.6 | -58.2 | 118.3 | 0 | 0 | 0 | 111.6 | H1054 R1155 A1403 T1407 | H1054-W1405 AromaticContact CE1-CE3 3.62Å; H1054-W1405 AromaticContact CE1-CZ3 3.59Å; H1054-W1405 AromaticContact NE2-CZ3 3.82Å; R1155-W1405 PolarHBondContact NH2-O 2.98Å; A1403-W1405 HydrophobicContact CB-CD2 4.45Å; A1403-W1405 HydrophobicContact CB-CG 4.38Å; A1403-W1405 HydrophobicContact CB-CZ2 4.29Å; A1403-W1405 PolarHBondContact O-N 3.11Å; W1405-T1407 PolarHBondContact O-N 2.91Å | ||
| 1406 | V | 27 | Very low | 26.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | trans | -94.2 | 71.2 | 177.9 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | S1404 K1408 | S1404-V1406 PolarHBondContact O-N 2.93Å; V1406-K1408 PolarHBondContact O-N 3.06Å | ||
| 1407 | T | 31.8 | Very low | 27 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 42% | 0.417 | 72% | 0.716 | S | S | . | * | trans | -59.6 | 130.3 | 160.9 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | R1155 W1405 G1409 | R1155-T1407 PolarHBondContact NH2-OG1 3.4Å; W1405-T1407 PolarHBondContact O-N 2.91Å; T1407-G1409 PolarHBondContact O-N 3.14Å | ||
| 1408 | K | 27.3 | Very low | 27.1 | Very low | 209 Ų | 209 | 137.8 Ų | 137.8 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | trans | -77.6 | 83.8 | -163.1 | -71.3 | 175.1 | 179.9 | 166 | 0 | 113.3 | V1406 | V1406-K1408 PolarHBondContact O-N 3.06Š| ||
| 1409 | G | 29.5 | Very low | 27.3 | Very low | 59 Ų | 59 | 141 Ų | 141 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 148.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112 | T1407 | T1407-G1409 PolarHBondContact O-N 3.14Š|
| 1410 | P | 29.6 | Very low | 27.4 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 136.8 | -176.1 | 28.8 | -34.7 | 0 | 0 | 0 | 112.7 | R1412 | P1410-R1412 PolarHBondContact O-N 3.24Š|
| 1411 | P | 26.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 123.1 | 178.6 | 30.9 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 1412 | R | 29.6 | Very low | 28 | Very low | 234 Ų | 234 | 146 Ų | 146 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -136.9 | 127.8 | 165.2 | -77.1 | -166 | 169.7 | -177.4 | -2.1 | 112.1 | P1410 | P1410-R1412 PolarHBondContact O-N 3.24Š| ||
| 1413 | N | 26 | Very low | 28.3 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | -62.5 | 134.7 | 176.7 | -54.2 | -59 | 0 | 0 | 0 | 111.1 | ||||
| 1414 | Y | 28.2 | Very low | 28.5 | Very low | 229 Ų | 229 | 150 Ų | 150 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -129.7 | 118.5 | 148.7 | -102.3 | -88.8 | 0 | 0 | 0 | 109 | ||||
| 1415 | R | 26.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 152 Ų | 152 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 150.1 | 169.9 | -73.1 | -174.2 | 176.3 | -161.9 | -0.7 | 109.3 | ||||
| 1416 | P | 26 | Very low | 29 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -63.7 | 147.3 | 171.6 | 29 | -35.5 | 0 | 0 | 0 | 111 | ||||
| 1417 | W | 25 | Very low | 29.3 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | trans | -131.4 | 138.8 | 168.6 | -88.8 | 81.8 | 0 | 0 | 0 | 109.5 | ||||
| 1418 | P | 28.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -93 | 159.9 | -172.6 | 36.8 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 1419 | T | 30.4 | Very low | 29.6 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -123.3 | 123.3 | 167.8 | 45.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1420 | N | 27.2 | Very low | 30 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 150.9 | 175.7 | -79.9 | -63.7 | 0 | 0 | 0 | 112 | ||||
| 1421 | N | 32.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 161.5 Ų | 161.5 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -174.1 | 94.3 | 131.9 | -88.9 | -22.3 | 0 | 0 | 0 | 107.3 | ||||
| 1422 | K | 30.7 | Very low | 30.4 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 53.6 | 95.3 | 80.1 | -77.6 | -161.1 | 169.3 | -167.9 | 0 | 114.9 | |||||
| 1423 | F | 31.6 | Very low | 30.7 | Very low | 185 Ų | 185 | 160 Ų | 160 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | -175.8 | 103.2 | 117.3 | -101.4 | -77.6 | 0 | 0 | 0 | 104.9 | |||||
| 1424 | D | 33.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 158.2 Ų | 158.2 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | 83.9 | 137.1 | 104 | -78.6 | 29.2 | 0 | 0 | 0 | 112.3 | |||||
| 1425 | Q | 32.3 | Very low | 31.6 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | cis | -160.4 | 151.4 | 5.2 | -122.1 | 172.9 | 64.4 | 0 | 0 | 110.2 | ||||
| 1426 | N | 31.4 | Very low | 32 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | 65.1 | 150.6 | 158.7 | -57.1 | -27 | 0 | 0 | 0 | 117.9 | ||||
| 1427 | T | 31.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | cis | -162.4 | 120.4 | -6.6 | 18.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1428 | S | 31 | Very low | 32.9 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | 99.1 | 111.2 | 58.2 | 71.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1429 | H | 35.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | 174.2 | 116.1 | 142.1 | -89.5 | -63.7 | 0 | 0 | 0 | 107.9 | ||||
| 1430 | K | 36.8 | Very low | 33.3 | Very low | 189 Ų | 189 | 144.1 Ų | 144.1 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | 64.3 | 127.4 | 79.8 | -76.5 | -178.7 | 175.2 | 175.1 | 0 | 112.7 | |||||
| 1431 | K | 33.8 | Very low | 33.7 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | cis | -149.8 | 171.2 | 35.4 | -115 | 175.7 | 179.8 | -178.2 | 0 | 114.1 | ||||
| 1432 | K | 30.2 | Very low | 33.7 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -115.6 | 156.7 | 165.8 | -76.5 | -175.8 | 165.2 | -160.7 | 0 | 111.2 | ||||
| 1433 | I | 36.1 | Very low | 33.8 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -152.2 | 125.6 | 141.6 | -52 | -172.3 | 0 | 0 | 0 | 103.7 | ||||
| 1434 | D | 36.5 | Very low | 33.8 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | 72.4 | 142.7 | 57.9 | -38.7 | -35 | 0 | 0 | 0 | 111.9 | |||||
| 1435 | D | 36.5 | Very low | 33.8 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | cis | -163.3 | 157.1 | -11 | -139.7 | -23.5 | 0 | 0 | 0 | 114.1 | ||||
| 1436 | S | 34.6 | Very low | 34 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 148.3 | 141.8 | 83.3 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 1437 | N | 33.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 84.8 | 106.8 | 140.8 | -66.4 | -33.5 | 0 | 0 | 0 | 125.3 | ||||
| 1438 | H | 36 | Very low | 34 | Very low | 168 Ų | 168 | 142 Ų | 142 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | 153.1 | 129.3 | 119.4 | -79.9 | -58.4 | 0 | 0 | 0 | 110.2 | |||||
| 1439 | S | 34.9 | Very low | 34 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | cis | 72.2 | 133.1 | 35.2 | 88 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1440 | N | 32.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | cis | -169.7 | 162.2 | 2.2 | -116 | -27 | 0 | 0 | 0 | 108.5 | ||||
| 1441 | I | 35.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | 167.3 | 93.2 | 155.8 | -93.7 | 153.5 | 0 | 0 | 0 | 108.8 | ||||
| 1442 | S | 34.1 | Very low | 33 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | 61.1 | 99.5 | 96.3 | 69.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1443 | K | 31.1 | Very low | 33.1 | Very low | 209 Ų | 209 | 134.9 Ų | 134.9 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | 70.7 | 115.4 | 78.8 | -79.5 | -171.9 | 173.3 | 178.8 | 0 | 115.7 | |||||
| 1444 | A | 33.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | trans | -131 | 154.9 | 152 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1445 | N | 31.5 | Very low | 32.3 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -118.4 | 162.9 | -166.5 | -108 | -1.8 | 0 | 0 | 0 | 113.3 | ||||
| 1446 | P | 38.1 | Very low | 31.9 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -91.8 | -175.8 | 179.8 | 38.1 | -35.7 | 0 | 0 | 0 | 113.2 | ||||
| 1447 | V | 29 | Very low | 31.5 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | 152.3 | 159.6 | 139.7 | 167.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1448 | H | 33.7 | Very low | 31.1 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 88.6 | 141.6 | 174.3 | -58.2 | -75.7 | 0 | 0 | 0 | 118.2 | ||||
| 1449 | S | 29.9 | Very low | 30.6 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | cis | -171.8 | 137.4 | -24.2 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1450 | W | 27.4 | Very low | 30.2 | Very low | 236 Ų | 236 | 151.8 Ų | 151.8 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | 69 | 164.6 | 146.7 | -63 | 14.1 | 0 | 0 | 0 | 116.4 | ||||
| 1451 | N | 31.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | cis | -143.7 | 174 | 6.8 | -144.7 | -17.6 | 0 | 0 | 0 | 113.5 | ||||
| 1452 | S | 27.6 | Very low | 29.2 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -109.1 | 144.7 | -171.4 | -68.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1453 | S | 30.9 | Very low | 28.9 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -156.8 | 98 | 152.4 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1454 | K | 28.1 | Very low | 28.5 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | 42.4 | 95.6 | 81.2 | -75.3 | -172.8 | 175.5 | 176.4 | 0 | 115.1 | |||||
| 1455 | L | 29 | Very low | 28.5 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -157.3 | 97 | 147.3 | -112.6 | 158.4 | 0 | 0 | 0 | 114.6 | ||||
| 1456 | K | 28.7 | Very low | 28.2 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 37.9 | 107.4 | 142.3 | -58 | 179 | -175.2 | 177.6 | 0 | 120.1 | ||||
| 1457 | T | 25.5 | Very low | 27.7 | Very low | 138 Ų | 138 | 158.1 Ų | 158.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | 27.3 | 116.5 | 115.6 | -32.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1458 | K | 25.9 | Very low | 27.7 | Very low | 211 Ų | 211 | 160.6 Ų | 160.6 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -150.1 | 120.4 | 148.2 | -122.2 | 174.2 | -173.4 | 175.6 | 0 | 112 | ||||
| 1459 | Q | 24.6 | Very low | 27.4 | Very low | 160 Ų | 160 | 160.4 Ų | 160.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 135.3 | 166.1 | -70.5 | 166.5 | -51.7 | 0 | 0 | 110.1 | ||||
| 1460 | K | 27.3 | Very low | 27.4 | Very low | 198 Ų | 198 | 165.7 Ų | 165.7 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -147.5 | 118.4 | 146.8 | -83 | -169 | 172.6 | -173.8 | 0 | 103.9 | ||||
| 1461 | Q | 24.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 160.1 Ų | 160.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | 50.5 | 87.1 | 26.9 | -83.7 | -167.7 | -5.4 | 0 | 0 | 112.1 | ||||
| 1462 | L | 22.3 | Very low | 27.4 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.7 | 150.4 | -143.8 | 79.8 | 0 | 0 | 0 | 107.8 | ||
| 1463 | P | 27.2 | Very low | 27.3 | Very low | 113 Ų | 113 | 164.5 Ų | 164.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156 | 176.2 | -21.4 | 34 | 0 | 0 | 0 | 113.3 | ||
| 1464 | Q | 23.6 | Very low | 27.4 | Very low | 187 Ų | 187 | 165 Ų | 165 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 127.9 | 163 | -65.5 | 170.9 | -23.7 | 0 | 0 | 110.1 | ||
| 1465 | Q | 31.4 | Very low | 27.3 | Very low | 167 Ų | 167 | 160 Ų | 160 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -162.6 | 108.4 | 153.9 | -103.8 | 150.1 | 35.9 | 0 | 0 | 106.4 | ||||
| 1466 | Q | 26.9 | Very low | 27.1 | Very low | 168 Ų | 168 | 161.7 Ų | 161.7 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 57.3 | 100.7 | 86.3 | -66.1 | -178.5 | -5.2 | 0 | 0 | 110.5 | |||||
| 1467 | L | 27.8 | Very low | 27 | Very low | 144 Ų | 144 | 161.2 Ų | 161.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | -174.5 | 165.3 | 73.8 | -99.2 | 132.1 | 0 | 0 | 0 | 111.5 | |||||
| 1468 | Q | 28.8 | Very low | 27.2 | Very low | 168 Ų | 168 | 160 Ų | 160 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 51.5 | 95.5 | 161.4 | -63.9 | 169.5 | 17 | 0 | 0 | 116.3 | ||||
| 1469 | Q | 26.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 159 Ų | 159 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 43.9 | 89.2 | 81.4 | -58.4 | -169.3 | 22.1 | 0 | 0 | 114.9 | |||||
| 1470 | Q | 30.5 | Very low | 27.2 | Very low | 194 Ų | 194 | 155.9 Ų | 155.9 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -122.8 | 107 | 135.1 | -74.6 | -158.3 | -0.3 | 0 | 0 | 109.4 | ||||
| 1471 | N | 25.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | trans | -80.2 | 116.4 | 171.6 | -70.7 | -87.8 | 0 | 0 | 0 | 108.9 | K1473 | N1471-K1473 HydrophobicContact CB-CG 4.04Š| ||
| 1472 | I | 31.9 | Very low | 27.2 | Very low | 170 Ų | 170 | 152 Ų | 152 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -92.6 | 101.2 | 151.6 | -62.3 | -175.9 | 0 | 0 | 0 | 106.4 | ||||
| 1473 | K | 27.2 | Very low | 27.6 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -78 | 155 | -176 | -73 | 178.7 | 176.4 | 173.4 | 0 | 111.7 | N1471 | N1471-K1473 HydrophobicContact CB-CG 4.04Š| ||
| 1474 | P | 31.1 | Very low | 27.7 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -75.3 | 134.3 | 170.6 | 31.1 | -34.6 | 0 | 0 | 0 | 112.4 | ||||
| 1475 | A | 27.4 | Very low | 28.4 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -145.3 | 134.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1476 | K | 25.3 | Very low | 28.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | cis | 77 | 101.7 | 38.3 | -72.1 | -170.3 | 171.2 | 178.5 | 0 | 115.5 | ||||
| 1477 | K | 25.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 65.8 | 172.2 | 148.1 | -74 | -166.6 | 175.4 | -165.6 | 0 | 115.9 | Y1479 | K1477-Y1479 HydrophobicContact CD-CD2 4.43Š| ||
| 1478 | P | 28.8 | Very low | 29 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -103.7 | 170.2 | -4.7 | 21.4 | 1.4 | 0 | 0 | 0 | 112.9 | ||||
| 1479 | Y | 24.4 | Very low | 29.3 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | cis | 73.2 | 142 | 41.8 | -105.3 | -94.7 | 0 | 0 | 0 | 115.1 | K1477 | K1477-Y1479 HydrophobicContact CD-CD2 4.43Š| ||
| 1480 | S | 26.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 59 | 123.3 | 174.3 | 37.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1481 | T | 25 | Very low | 29.7 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | 59.2 | 100.7 | 55.8 | 71.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1482 | E | 28.2 | Very low | 30.1 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | -174.3 | 140.2 | 123.4 | -97.4 | -172.9 | 147.2 | 0 | 0 | 108.4 | |||||
| 1483 | K | 29.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 144 Ų | 144 | 70% | 0.7 | 75% | 0.745 | S | S | * | * | 54.6 | 138.4 | 105.6 | -57.4 | 176.1 | -172.5 | 162.3 | 0 | 114.1 | |||||
| 1484 | D | 30.8 | Very low | 30.2 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -155.2 | -165.6 | 12.9 | -132 | -25.5 | 0 | 0 | 0 | 111.7 | ||||
| 1485 | P | 37.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | -121 | -151.5 | -120.1 | 42.9 | -25.7 | 0 | 0 | 0 | 113.8 | |||||
| 1486 | I | 33.2 | Very low | 30.3 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | trans | 135 | 108.4 | 149.4 | -71 | 161.1 | 0 | 0 | 0 | 113.6 | ||||
| 1487 | N | 32.9 | Very low | 30.5 | Very low | 130 Ų | 130 | 152 Ų | 152 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | 51.6 | 144.7 | 142 | -64.1 | -27.7 | 0 | 0 | 0 | 121.5 | ||||
| 1488 | K | 33.5 | Very low | 30.7 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -168.1 | 138.5 | 4.5 | -117.6 | 167.3 | -172.8 | 178.4 | 0 | 110.4 | ||||
| 1489 | A | 34.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 154 Ų | 154 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | 60.7 | 158.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1490 | T | 33.1 | Very low | 31 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -143.3 | 178.2 | 2.8 | -27 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1491 | Q | 32.8 | Very low | 31.1 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -64.9 | 167.2 | 178.4 | -57.2 | 133.6 | -36.8 | 0 | 0 | 112.5 | ||||
| 1492 | E | 32.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -155.5 | 152.1 | 38.6 | -85.1 | -163.2 | 108.1 | 0 | 0 | 116.3 | ||||
| 1493 | R | 32 | Very low | 31.5 | Very low | 213 Ų | 213 | 155.6 Ų | 155.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 68.8 | 135.1 | 147.2 | -68.4 | 172.6 | -152.1 | -140.9 | 6.5 | 122.2 | ||||
| 1494 | D | 29.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -86 | 140.8 | -171.4 | -48.6 | -100.1 | 0 | 0 | 0 | 115.8 | ||||
| 1495 | R | 31.6 | Very low | 31.3 | Very low | 246 Ų | 246 | 153.1 Ų | 153.1 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | -139.3 | 143.1 | 143.9 | -72.7 | -168.2 | 171 | 176.5 | -3.8 | 108.7 | ||||
| 1496 | R | 28.7 | Very low | 30.8 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.4 | -170.8 | -65.6 | -178.1 | -179.1 | 179 | 0 | 112.3 | ||
| 1497 | P | 31.5 | Very low | 30.8 | Very low | 103 Ų | 103 | 155.2 Ų | 155.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 157.3 | 172.4 | 35.2 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 1498 | P | 29.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 141.7 | 174.7 | 33.8 | -33.7 | 0 | 0 | 0 | 112.7 | ||
| 1499 | Y | 29.7 | Very low | 30.2 | Very low | 210 Ų | 210 | 153.1 Ų | 153.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -125.1 | 109.2 | 162 | -93.7 | -103.7 | 0 | 0 | 0 | 107.3 | ||||
| 1500 | V | 29.8 | Very low | 29.8 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 65% | 0.648 | 79% | 0.789 | S | S | * | * | 70 | 105.3 | 78.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | T1502 | V1500-T1502 HydrophobicContact CG1-CG2 4Š| |||
| 1501 | N | 28.8 | Very low | 29.7 | Very low | 159 Ų | 159 | 156.4 Ų | 156.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -131.2 | 112.2 | 163.3 | -162.7 | -2.4 | 0 | 0 | 0 | 107.6 | ||||
| 1502 | T | 30.1 | Very low | 29.5 | Very low | 97 Ų | 97 | 157.1 Ų | 157.1 | 60% | 0.595 | 79% | 0.786 | S | S | * | * | trans | -121.2 | 115.2 | -168.5 | 45.2 | 0 | 0 | 0 | 0 | 112 | V1500 | V1500-T1502 HydrophobicContact CG1-CG2 4Š| ||
| 1503 | Y | 30.4 | Very low | 29.2 | Very low | 235 Ų | 235 | 159 Ų | 159 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | -127.2 | 95.8 | 150.6 | -83.8 | -77 | 0 | 0 | 0 | 109 | ||||
| 1504 | S | 27.1 | Very low | 29.3 | Very low | 98 Ų | 98 | 155 Ų | 155 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -115.1 | 142.7 | 175.9 | 55.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1505 | T | 28.9 | Very low | 29.2 | Very low | 144 Ų | 144 | 153.4 Ų | 153.4 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -166.8 | 104 | 143.1 | 31.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1506 | L | 28.4 | Very low | 29.3 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 136.5 | 142 | -99.5 | 173.8 | 0 | 0 | 0 | 106.7 | ||||
| 1507 | P | 31.5 | Very low | 29.2 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 149.9 | -162.9 | 33.9 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 1508 | T | 24.6 | Very low | 29.2 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 135.7 | 174.1 | -45.5 | 0 | 0 | 0 | 0 | 111.8 | Q1510 | T1508-Q1510 HydrophobicContact CG2-CG 4.2Š| ||
| 1509 | V | 30.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -124.5 | 119.6 | 157.7 | 180 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1510 | Q | 24.8 | Very low | 29.3 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -92.6 | 145.1 | 173.3 | -63.1 | 175.8 | -22 | 0 | 0 | 110.1 | T1508 | T1508-Q1510 HydrophobicContact CG2-CG 4.2Š| ||
| 1511 | N | 31 | Very low | 29.3 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -175.1 | 121.1 | 132.2 | -103.1 | -66.1 | 0 | 0 | 0 | 114 | ||||
| 1512 | K | 29.4 | Very low | 29.4 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 63.8 | 121.3 | 139.2 | -65.3 | 168.4 | -176.5 | 168.5 | 0 | 121.8 | ||||
| 1513 | F | 26.5 | Very low | 29.5 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 170.2 | 156.6 | -67.5 | -99.6 | 0 | 0 | 0 | 112.3 | ||||
| 1514 | P | 34.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | -133.2 | 160.9 | 92.1 | 37.6 | -28.1 | 0 | 0 | 0 | 115 | |||||
| 1515 | N | 26 | Very low | 29.6 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -81.6 | 156.7 | 176.8 | -61.6 | -36.2 | 0 | 0 | 0 | 112.3 | ||||
| 1516 | H | 33.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -147 | 137.6 | 138.8 | -106.1 | -71 | 0 | 0 | 0 | 111.5 | ||||
| 1517 | S | 27.5 | Very low | 29.7 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -115 | 155.3 | -175 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1518 | R | 31.5 | Very low | 29.6 | Very low | 253 Ų | 253 | 143.6 Ų | 143.6 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | trans | -164.8 | 164.8 | 138.9 | -108.8 | 162.8 | -169.7 | -169.8 | 1.6 | 112.1 | ||||
| 1519 | S | 28.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -141.6 | 161.2 | -161 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1520 | I | 33.2 | Very low | 29.9 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 168.6 | 118.3 | 159 | -91.8 | 149.5 | 0 | 0 | 0 | 103.8 | ||||
| 1521 | S | 29.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | 67.4 | 146.2 | 59.7 | 82.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1522 | E | 30.6 | Very low | 30.3 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -166.8 | 174.4 | 15.5 | -145.1 | 152.1 | -107.5 | 0 | 0 | 112.2 | ||||
| 1523 | L | 32.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 76.7 | 144.1 | 161.9 | -56.6 | 160.4 | 0 | 0 | 0 | 119.1 | ||||
| 1524 | H | 31 | Very low | 30.6 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | cis | 103.4 | 136.9 | 16.2 | -86.1 | -100.9 | 0 | 0 | 0 | 116 | ||||
| 1525 | T | 27.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | cis | -169.2 | 149.2 | -20.2 | 12.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1526 | G | 29.5 | Very low | 30.3 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 80.8 | 179.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1527 | L | 29.2 | Very low | 30.1 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | cis | -170.4 | 156.3 | -22.3 | -107.3 | 170 | 0 | 0 | 0 | 108.1 | ||||
| 1528 | D | 30.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | trans | 57.4 | 126.4 | 154 | -50 | -29.3 | 0 | 0 | 0 | 124.5 | ||||
| 1529 | D | 30.6 | Very low | 29.9 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | 84.2 | 142.7 | 125.9 | -87.7 | 9.5 | 0 | 0 | 0 | 127.6 | |||||
| 1530 | N | 31.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 81 | 112 | 150 | -72.3 | -51.7 | 0 | 0 | 0 | 123.9 | ||||
| 1531 | N | 29.6 | Very low | 29.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | 36.1 | 122.8 | 126.8 | -59.2 | -23.6 | 0 | 0 | 0 | 122.2 | |||||
| 1532 | D | 34.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 178.1 | 128.9 | 101.3 | -92.9 | -29.9 | 0 | 0 | 0 | 109.3 | |||||
| 1533 | N | 29.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 81.9 | 149.5 | 66.4 | -80 | -47.9 | 0 | 0 | 0 | 115.4 | |||||
| 1534 | V | 31.5 | Very low | 29.5 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 75.3 | 147.1 | 172.3 | -167.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1535 | S | 27.3 | Very low | 29.4 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | -178.4 | 143.1 | -70.8 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1536 | V | 28.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | 67.9 | 155.7 | 149.8 | 172.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1537 | S | 27.7 | Very low | 29.2 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | cis | -150.2 | 153.7 | 8.2 | 32.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1538 | N | 27.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | 7.6 | 141.4 | 141.2 | -46.8 | -12.7 | 0 | 0 | 0 | 122 | ||||
| 1539 | S | 28.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | -167.9 | 157.6 | 108.9 | 58.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1540 | S | 28 | Very low | 28.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -62.2 | 165.5 | 178.8 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1541 | H | 32.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | -164.3 | 152.6 | 51.4 | -99.9 | -79 | 0 | 0 | 0 | 115.3 | |||||
| 1542 | D | 29.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 59.8 | 140 | 135.4 | -55.3 | -3.6 | 0 | 0 | 0 | 126.8 | ||||
| 1543 | A | 28.5 | Very low | 27.9 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 79.8 | 86.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1544 | E | 27.7 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | 68.1 | 149.6 | 118 | -70.3 | -168.9 | 157 | 0 | 0 | 124.8 | |||||
| 1545 | H | 28.9 | Very low | 28 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 78.8 | 116.6 | 157.1 | -87.3 | -65.2 | 0 | 0 | 0 | 122.7 | ||||
| 1546 | N | 26.1 | Very low | 28.1 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | 85.6 | 108.1 | 142.7 | -60.1 | -17.4 | 0 | 0 | 0 | 120.4 | ||||
| 1547 | S | 26.6 | Very low | 28 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 46 | 104.9 | 135.7 | 62.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1548 | H | 27.8 | Very low | 28.1 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -154 | 152.2 | 141.4 | -100.9 | -67.7 | 0 | 0 | 0 | 112.5 | ||||
| 1549 | F | 25.5 | Very low | 28.1 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -56.3 | 145.8 | 161.7 | -76.1 | -135 | 0 | 0 | 0 | 110.3 | ||||
| 1550 | W | 24.8 | Very low | 28.3 | Very low | 247 Ų | 247 | 131.3 Ų | 131.3 | 94% | 0.936 | 71% | 0.713 | S | S | * | * | trans | -159.5 | 154.1 | 140.4 | -91.5 | 112.3 | 0 | 0 | 0 | 111.7 | ||||
| 1551 | T | 27.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | -94.8 | 158.6 | -179 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1552 | M | 26.9 | Very low | 28.1 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 83% | 0.833 | 69% | 0.685 | S | S | * | * | trans | -132.2 | 162 | 176.2 | -86.1 | -89.1 | 95.8 | 0 | 0 | 110.7 | ||||
| 1553 | P | 26.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | trans | -111.9 | 166 | -135.3 | 40.3 | -36 | 0 | 0 | 0 | 116.6 | ||||
| 1554 | S | 26.6 | Very low | 28.3 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 57% | 0.566 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.5 | 173.3 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | H995 | H995-S1554 PolarHBondContact NE2-OG 2.97Š|
| 1555 | P | 36 | Very low | 28.4 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 166.7 | 164 | 34.2 | -33.3 | 0 | 0 | 0 | 112.4 | ||
| 1556 | P | 28.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -92 | 172.9 | -163.3 | 36.7 | -38 | 0 | 0 | 0 | 116.5 | ||
| 1557 | D | 26.2 | Very low | 28.3 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 140.5 | -168.6 | -46.4 | -87.4 | 0 | 0 | 0 | 116.3 | ||
| 1558 | V | 30 | Very low | 28.3 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | trans | -140 | 128.6 | 159.7 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1559 | P | 28.3 | Very low | 28.3 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -85 | 152.7 | -173.5 | 33.4 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 1560 | L | 31.7 | Very low | 28.4 | Very low | 89 Ų | 89 | 116.2 Ų | 116.2 | 47% | 0.466 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 130 | 172 | -70.6 | 165.7 | 0 | 0 | 0 | 111 | I1003 | I1003-L1560 HydrophobicContact CG1-CD1 4.18Š|
| 1561 | P | 29.7 | Very low | 28.7 | Very low | 75 Ų | 75 | 110.5 Ų | 110.5 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -79.2 | 150.3 | -178.3 | 31 | -34.7 | 0 | 0 | 0 | 113.3 | H117 | H117-P1561 HydrophobicContact CB-CG 4.34Š|
| 1562 | P | 27.5 | Very low | 28.9 | Very low | 37 Ų | 37 | 111 Ų | 111 | 24% | 0.24 | 63% | 0.625 | C | S | . | * | P | Polyproline II helix | trans | -64 | 155.6 | -178.7 | 14.3 | -25.2 | 0 | 0 | 0 | 116.7 | V1252 Y1564 | V1252-P1562 HydrophobicContact CB-CB 3.65Å; V1252-P1562 HydrophobicContact CB-CG 3.95Å; V1252-P1562 HydrophobicContact CG2-CB 3.67Å; V1252-P1562 HydrophobicContact CG2-CG 4.43Å; P1562-Y1564 HydrophobicContact CB-CD2 3.58Å; P1562-Y1564 HydrophobicContact CB-CE2 3.59Å; P1562-Y1564 HydrophobicContact CG-CD2 3.62Å; P1562-Y1564 HydrophobicContact CG-CE2 3.5Å; P1562-Y1564 VanDerWaalsContact CG-CE2 3.5Å; P1562-Y1564 PolarHBondContact O-N 3.48Å; P1562-Y1564 VanDerWaalsContact O-N 3.16Å |
| 1563 | S | 28.9 | Very low | 28.9 | Very low | 69 Ų | 69 | 109.9 Ų | 109.9 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | trans | -61.7 | 103.6 | 159.2 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1564 | Y | 31.4 | Very low | 29 | Very low | 102 Ų | 102 | 111.6 Ų | 111.6 | 40% | 0.4 | 63% | 0.626 | S | S | . | * | trans | -132.9 | 118.7 | 170.4 | -85.9 | -88 | 0 | 0 | 0 | 111.9 | E1250 P1562 | E1250-Y1564 WeakPolarHBondContact CB-OH 3.46Å; E1250-Y1564 VanDerWaalsContact CD-OH 3.29Å; E1250-Y1564 HydrophobicContact CG-CE1 4.46Å; E1250-Y1564 WeakPolarHBondContact OE1-CE1 3.47Å; E1250-Y1564 WeakPolarHBondContact OE2-CE1 3.33Å; E1250-Y1564 VanDerWaalsContact OE2-CZ 3.26Å; E1250-Y1564 PolarHBondContact OE2-OH 2.95Å; P1562-Y1564 HydrophobicContact CB-CD2 3.58Å; P1562-Y1564 HydrophobicContact CB-CE2 3.59Å; P1562-Y1564 HydrophobicContact CG-CD2 3.62Å; P1562-Y1564 HydrophobicContact CG-CE2 3.5Å; P1562-Y1564 VanDerWaalsContact CG-CE2 3.5Å; P1562-Y1564 PolarHBondContact O-N 3.48Å; P1562-Y1564 VanDerWaalsContact O-N 3.16Å | ||
| 1565 | W | 30 | Very low | 29.1 | Very low | 191 Ų | 191 | 114.4 Ų | 114.4 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | trans | -151.6 | 66.1 | 149.7 | -86.5 | 120 | 0 | 0 | 0 | 109.3 | I1568 | W1565-I1568 HydrophobicContact CE3-CD1 4.17Å; W1565-I1568 HydrophobicContact CE3-CG1 4.36Å; W1565-I1568 HydrophobicContact CZ3-CD1 3.83Å; W1565-I1568 HydrophobicContact CZ3-CG1 4.15Å | ||
| 1566 | S | 27.1 | Very low | 28.8 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | trans | -119.6 | 145.1 | 163 | 65.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 1567 | N | 26.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | trans | 79.8 | 57.8 | -176.2 | -49 | -55.5 | 0 | 0 | 0 | 118.5 | ||||
| 1568 | I | 26.7 | Very low | 29 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 61% | 0.605 | 65% | 0.645 | S | S | * | * | trans | -95.7 | 80.8 | 145.7 | -56 | -178.7 | 0 | 0 | 0 | 108.1 | W1565 | W1565-I1568 HydrophobicContact CE3-CD1 4.17Å; W1565-I1568 HydrophobicContact CE3-CG1 4.36Å; W1565-I1568 HydrophobicContact CZ3-CD1 3.83Å; W1565-I1568 HydrophobicContact CZ3-CG1 4.15Å | ||
| 1569 | S | 28.1 | Very low | 28.9 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | trans | -166.5 | 70.2 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1570 | K | 27.6 | Very low | 29.2 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 88% | 0.878 | 67% | 0.671 | S | S | * | * | trans | 177.8 | 127.9 | 146.4 | -100.2 | 150.9 | -169.3 | 174 | 0 | 112.5 | ||||
| 1571 | P | 31.1 | Very low | 29.1 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -98.7 | 125.2 | 168.1 | 34.4 | -28.5 | 0 | 0 | 0 | 112.1 | ||||
| 1572 | T | 30.2 | Very low | 29.4 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -159 | 119 | 162.5 | 38.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1573 | N | 28 | Very low | 29.8 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 26.9 | 157.4 | 139.1 | -63.2 | 7.8 | 0 | 0 | 0 | 124.3 | ||||
| 1574 | D | 28 | Very low | 30 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 71.8 | 129.5 | 167.5 | -53.2 | -30.3 | 0 | 0 | 0 | 114.8 | ||||
| 1575 | L | 29.7 | Very low | 30 | Very low | 139 Ų | 139 | 145 Ų | 145 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | -154.5 | 146.6 | 54.2 | -78.1 | 151 | 0 | 0 | 0 | 114 | |||||
| 1576 | K | 30.2 | Very low | 30.2 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | 49.2 | 108.7 | 145.8 | -59.9 | 164.9 | -176.1 | 167.5 | 0 | 117.2 | ||||
| 1577 | L | 27.2 | Very low | 30.4 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | 58.1 | 75.1 | 47.2 | -150.1 | 168.7 | 0 | 0 | 0 | 113.2 | K1579 | L1577-K1579 HydrophobicContact CD2-CG 3.9Š| ||
| 1578 | N | 31.1 | Very low | 30.9 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -84.4 | 143 | 157.9 | -93.4 | -16.4 | 0 | 0 | 0 | 110 | ||||
| 1579 | K | 28.2 | Very low | 31.1 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -106.4 | 133.2 | 175.8 | -67.6 | 177.2 | 178.4 | 175.5 | 0 | 110.4 | L1577 | L1577-K1579 HydrophobicContact CD2-CG 3.9Š| ||
| 1580 | T | 33.6 | Very low | 31.3 | Very low | 144 Ų | 144 | 150 Ų | 150 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -122 | 146.3 | 147.8 | 33 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1581 | K | 30.9 | Very low | 31.5 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | -93.6 | 175.1 | 166.5 | -43.6 | 168.1 | -175.5 | 166.9 | 0 | 107.1 | ||||
| 1582 | D | 35.1 | Very low | 31.6 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | cis | -120.9 | -174.8 | 1.8 | -75 | -83.4 | 0 | 0 | 0 | 107.6 | ||||
| 1583 | D | 36.8 | Very low | 31.7 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -156.2 | -171.4 | 27.9 | -137.7 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 1584 | K | 31.9 | Very low | 32 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 68% | 0.683 | 74% | 0.737 | S | S | * | * | trans | -97.2 | 154.5 | -170 | -45.4 | 129.7 | -163.3 | 123.8 | 0 | 111.7 | ||||
| 1585 | E | 33.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | -171.8 | 145.2 | 68.9 | -76.6 | -141.7 | 127.5 | 0 | 0 | 115.4 | |||||
| 1586 | K | 33.7 | Very low | 32.5 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | 50.1 | 102.6 | 136.1 | -60 | 171.7 | -171.5 | 148.6 | 0 | 123.1 | ||||
| 1587 | N | 31.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | 67.6 | 161 | 116.3 | -90.5 | 3 | 0 | 0 | 0 | 123.1 | |||||
| 1588 | P | 36.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | trans | -131.6 | -176.7 | -150 | 42.8 | -26.1 | 0 | 0 | 0 | 115.7 | ||||
| 1589 | Q | 30.8 | Very low | 32.5 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 77% | 0.771 | 73% | 0.731 | S | S | * | * | 161.5 | 150.7 | 126.7 | -90.1 | -173.7 | 10 | 0 | 0 | 115.5 | |||||
| 1590 | N | 31.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | trans | 87.3 | 136 | 139.2 | -95 | -51.3 | 0 | 0 | 0 | 124.1 | ||||
| 1591 | K | 32.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 76.6 | 117.7 | 151.5 | -68.3 | 166.3 | -172.6 | 174.6 | 0 | 117.3 | ||||
| 1592 | K | 31.6 | Very low | 32 | Very low | 173 Ų | 173 | 146 Ų | 146 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | 83.3 | 143.7 | 76.3 | -80.4 | -170.8 | 162.4 | -149 | 0 | 112.2 | |||||
| 1593 | E | 33.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 51% | 0.514 | 74% | 0.738 | S | S | . | * | cis | -165.2 | 154.7 | 14.5 | -124.9 | 173.7 | -163.8 | 0 | 0 | 113.5 | ||||
| 1594 | K | 33.3 | Very low | 31.6 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 73% | 0.726 | 74% | 0.742 | S | S | * | * | trans | 61.3 | 156.7 | 144.3 | -73.2 | 161.5 | -170.9 | 162.1 | 0 | 121.8 | ||||
| 1595 | S | 33.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -171.9 | 167.1 | -14.9 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1596 | T | 34.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 144 | 152.8 | 42.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1597 | G | 31.4 | Very low | 31 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | cis | -170.9 | 146.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1598 | W | 27.7 | Very low | 31 | Very low | 255 Ų | 255 | 138.7 Ų | 138.7 | 97% | 0.966 | 76% | 0.756 | S | S | * | * | 65.3 | 139.7 | 82.3 | -78.9 | 22.1 | 0 | 0 | 0 | 115.7 | |||||
| 1599 | S | 29.5 | Very low | 30.7 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -173.5 | 150.9 | -7.7 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1600 | N | 26.8 | Very low | 30.5 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 26.1 | 137.2 | 151.1 | -66.7 | -17.4 | 0 | 0 | 0 | 123.4 | ||||
| 1601 | L | 28.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -146.4 | 146.1 | 150 | -114.5 | 158.5 | 0 | 0 | 0 | 111.8 | ||||
| 1602 | K | 26.4 | Very low | 30.1 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -148.3 | 133 | 176.4 | -89.2 | -171.5 | 175.5 | -176.7 | 0 | 109.4 | ||||
| 1603 | S | 30.9 | Very low | 29.9 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -173.8 | 143 | 157.1 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1604 | H | 32 | Very low | 29.6 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 40.2 | 111.8 | 143.4 | -57.9 | -50.6 | 0 | 0 | 0 | 119.9 | ||||
| 1605 | S | 28.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | 89.6 | 116.7 | 53.6 | 71.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1606 | G | 29.8 | Very low | 28.9 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -159.1 | 147.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1607 | N | 29.2 | Very low | 28.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -109.2 | 169.3 | -167.6 | -80.2 | -25.5 | 0 | 0 | 0 | 113.4 | ||||
| 1608 | S | 29.9 | Very low | 28.4 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 79.6 | 147.3 | 155 | 85.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1609 | V | 30.5 | Very low | 28.3 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -162.2 | 145.3 | -9.1 | 113.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1610 | E | 27.8 | Very low | 28.2 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | trans | 43.4 | 155.6 | 154.5 | -60 | -165 | 139.2 | 0 | 0 | 121.6 | ||||
| 1611 | R | 28.4 | Very low | 28.2 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 70% | 0.698 | 72% | 0.72 | S | S | * | * | cis | -159.8 | 149 | 1.2 | -125.8 | 166.7 | -165.6 | 141.1 | 11 | 110.6 | ||||
| 1612 | N | 27.1 | Very low | 28.2 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 20.2 | 117.1 | 148.3 | -55.4 | -11.5 | 0 | 0 | 0 | 122.3 | ||||
| 1613 | Q | 27.6 | Very low | 28.2 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 70% | 0.703 | S | S | * | * | 166.8 | 123 | 122.5 | -89.5 | 165.9 | 37.5 | 0 | 0 | 107.3 | |||||
| 1614 | R | 27.3 | Very low | 28 | Very low | 228 Ų | 228 | 134.2 Ų | 134.2 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | cis | 76 | 89.9 | 42.1 | -83.3 | -166 | 173.3 | -177.3 | -1.5 | 116.9 | ||||
| 1615 | N | 26.9 | Very low | 27.7 | Very low | 134 Ų | 134 | 137 Ų | 137 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | trans | 86.1 | 107.1 | 135.2 | -62.4 | 15.7 | 0 | 0 | 0 | 122 | ||||
| 1616 | S | 25.3 | Very low | 27.8 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | 77.5 | 123.3 | 123.1 | 70.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1617 | M | 27.3 | Very low | 27.7 | Very low | 59 Ų | 59 | 141.6 Ų | 141.6 | 29% | 0.291 | 70% | 0.704 | S | S | . | * | 176 | 130.3 | 129.7 | -94.6 | 170 | 57.1 | 0 | 0 | 109.8 | I1119 E1120 K1123 | I1119-M1617 WeakPolarHBondContact O-CE 3.44Å; E1120-M1617 HydrophobicContact CG-CB 4.23Å; E1120-M1617 WeakPolarHBondContact O-CE 3.47Å; K1123-M1617 HydrophobicContact CB-CE 3.64Å; K1123-M1617 HydrophobicContact CB-SD 3.74Å; K1123-M1617 HydrophobicContact CD-CE 3.67Å; K1123-M1617 HydrophobicContact CD-CG 4.16Å; K1123-M1617 HydrophobicContact CD-SD 3.63Å; K1123-M1617 HydrophobicContact CG-CE 3.45Å; K1123-M1617 VanDerWaalsContact CG-CE 3.45Å; K1123-M1617 HydrophobicContact CG-SD 3.91Å | |||
| 1618 | T | 28.4 | Very low | 27.7 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | 64.5 | 107.4 | 67.7 | 74.7 | 0 | 0 | 0 | 0 | 119.2 | I1119 K1123 | I1119-T1618 WeakPolarHBondContact CG2-O 3.17Å; K1123-T1618 VanDerWaalsContact CE-OG1 3.27Å; K1123-T1618 WeakPolarHBondContact CE-OG1 3.3Å; K1123-T1618 PolarHBondContact NZ-OG1 2.89Å | |||
| 1619 | R | 26.4 | Very low | 27.8 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | 84.9 | 123.5 | 141.9 | -85.5 | -167.9 | 165.3 | 176 | -5.6 | 123.2 | ||||
| 1620 | C | 26.6 | Very low | 27.7 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 52% | 0.52 | 69% | 0.692 | S | S | . | * | trans | 74.1 | 115.6 | 130.8 | -64.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1621 | D | 26.7 | Very low | 27.8 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | 48.7 | 119.2 | 128.2 | -39.6 | -42.3 | 0 | 0 | 0 | 120.9 | |||||
| 1622 | N | 29.2 | Very low | 27.9 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | -175.5 | 126.7 | 108.2 | -107.3 | -86.1 | 0 | 0 | 0 | 115.9 | |||||
| 1623 | R | 26.8 | Very low | 27.9 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 64% | 0.638 | 71% | 0.713 | S | S | * | * | trans | 36.8 | 111.6 | 142 | -69.7 | -175.4 | 170.5 | -171.9 | -2.1 | 121.7 | ||||
| 1624 | S | 27.4 | Very low | 28 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | 96.1 | 141.9 | 112.4 | 76.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1625 | R | 25.7 | Very low | 28 | Very low | 231 Ų | 231 | 138.7 Ų | 138.7 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | 68.4 | 100.5 | 156.6 | -69.5 | -176.9 | 178.3 | -173.9 | -0.4 | 119.8 | ||||
| 1626 | L | 29.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | 178.6 | 158.2 | 95.7 | -99.4 | 156.9 | 0 | 0 | 0 | 114 | |||||
| 1627 | N | 27.6 | Very low | 28.5 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | trans | -56.7 | 153.9 | 178.8 | -44.6 | -8.8 | 0 | 0 | 0 | 112 | ||||
| 1628 | H | 30.7 | Very low | 28.4 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 70% | 0.704 | 73% | 0.727 | S | S | * | * | -166.6 | 154.7 | 50.4 | -108 | -71.2 | 0 | 0 | 0 | 113.8 | |||||
| 1629 | N | 30.8 | Very low | 28.5 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | trans | 67.3 | 103.8 | 147 | -58.1 | -6.1 | 0 | 0 | 0 | 121.9 | ||||
| 1630 | N | 28.7 | Very low | 28.5 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | 83 | 141.1 | 128 | -61.4 | 15.7 | 0 | 0 | 0 | 122.3 | |||||
| 1631 | D | 29.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 50 | 147.8 | -54.7 | -19.3 | 0 | 0 | 0 | 121.9 | ||||
| 1632 | V | 31.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | -141.1 | 131.9 | 124.1 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1633 | C | 27.3 | Very low | 28.5 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -151.1 | 165.6 | -179.7 | -166 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1634 | Q | 28.5 | Very low | 28.5 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 71.7 | 103.6 | 169.9 | -52.5 | -179.6 | -0.1 | 0 | 0 | 117.7 | ||||
| 1635 | K | 28.2 | Very low | 28.5 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | -174.3 | 80.5 | 110.5 | -99.4 | 171.6 | -178.4 | -178.1 | 0 | 112.9 | |||||
| 1636 | A | 30.8 | Very low | 28.7 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -77.4 | 151 | 133.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | N1638 | A1636-N1638 PolarHBondContact O-N 3.23Š|
| 1637 | P | 31.2 | Very low | 28.7 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67 | 124.6 | 172.7 | 28 | -33.4 | 0 | 0 | 0 | 109.5 | E608 | E608-P1637 WeakPolarHBondContact OE1-CG 3.48Š|
| 1638 | N | 25.8 | Very low | 28.9 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.1 | 158.9 | -78.3 | -21.3 | 0 | 0 | 0 | 107.9 | A1636 V1640 | A1636-N1638 PolarHBondContact O-N 3.23Å; N1638-V1640 PolarHBondContact O-N 3.09Å |
| 1639 | P | 29.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -60.6 | 105.3 | 158.4 | 27.2 | -31.8 | 0 | 0 | 0 | 107.1 | M1641 | P1639-M1641 PolarHBondContact O-N 3.47Š| ||
| 1640 | V | 27.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -66.1 | 109 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 107.5 | N1638 L1642 | N1638-V1640 PolarHBondContact O-N 3.09Å; V1640-L1642 PolarHBondContact O-N 2.86Å | ||
| 1641 | M | 25.7 | Very low | 28.7 | Very low | 176 Ų | 176 | 145 Ų | 145 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -56.5 | 103.8 | 170.5 | -75.8 | -173.7 | 170.8 | 0 | 0 | 109.3 | P1639 | P1639-M1641 PolarHBondContact O-N 3.47Š| ||
| 1642 | L | 28 | Very low | 28.6 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 124.5 | 164.5 | -112.3 | 166.7 | 0 | 0 | 0 | 108 | V1640 | V1640-L1642 PolarHBondContact O-N 2.86Š| ||
| 1643 | N | 28.3 | Very low | 28.5 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -64.2 | 136.6 | -163.2 | -68.9 | -64.4 | 0 | 0 | 0 | 113.9 | ||||
| 1644 | Q | 26.1 | Very low | 28.6 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 41 | 96.5 | 135.5 | -58.3 | 178.3 | -7.5 | 0 | 0 | 117.6 | ||||
| 1645 | I | 28.7 | Very low | 28.7 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -126 | 115.8 | 134.2 | -58.1 | -178.5 | 0 | 0 | 0 | 106.9 | ||||
| 1646 | P | 28.9 | Very low | 28.7 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.1 | 179.6 | 29.9 | -32.7 | 0 | 0 | 0 | 110.6 | P1648 | P1646-P1648 WeakPolarHBondContact O-CD 3.42Š|
| 1647 | M | 30 | Very low | 28.6 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.5 | 158.2 | -79.6 | -67.7 | -70.8 | 0 | 0 | 107.9 | V1649 | M1647-V1649 PolarHBondContact O-N 3.41Š|
| 1648 | P | 32 | Very low | 29 | Very low | 101 Ų | 101 | 158 Ų | 158 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 116.8 | -175.4 | 28.9 | -33.5 | 0 | 0 | 0 | 110.7 | P1646 F1650 | P1646-P1648 WeakPolarHBondContact O-CD 3.42Å; P1648-F1650 HydrophobicContact CB-CD2 4.49Å; P1648-F1650 PolarHBondContact O-N 3.01Å |
| 1649 | V | 26.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 156.9 Ų | 156.9 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 127.5 | 159.6 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | M1647 | M1647-V1649 PolarHBondContact O-N 3.41Š|
| 1650 | F | 30.1 | Very low | 29.6 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -132 | 142.6 | 164.7 | -107 | -79.3 | 0 | 0 | 0 | 110.4 | P1648 | P1648-F1650 HydrophobicContact CB-CD2 4.49Å; P1648-F1650 PolarHBondContact O-N 3.01Å | ||
| 1651 | E | 28.2 | Very low | 29.7 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -84.6 | 166 | -158.5 | -62.6 | 173.5 | 103.3 | 0 | 0 | 114.3 | Q1653 | E1651-Q1653 PolarHBondContact O-N 2.71Š| ||
| 1652 | R | 27.4 | Very low | 29.9 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -64 | 129.2 | 170.5 | -61.4 | 173.2 | 177.5 | 172.9 | -2 | 110.6 | ||||
| 1653 | Q | 31 | Very low | 29.9 | Very low | 192 Ų | 192 | 157.7 Ų | 157.7 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -155 | 150.5 | 145.2 | -117.7 | 160.8 | 83.9 | 0 | 0 | 112.1 | E1651 | E1651-Q1653 PolarHBondContact O-N 2.71Š| ||
| 1654 | N | 27.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 151.6 | -173 | -60.4 | -52.6 | 0 | 0 | 0 | 112.1 | ||||
| 1655 | F | 30.4 | Very low | 30.5 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | 166.5 | 117.7 | 115.2 | -94.3 | -69.5 | 0 | 0 | 0 | 114.3 | |||||
| 1656 | N | 30.1 | Very low | 31 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 44.5 | 118.5 | 142 | -72.5 | -21.7 | 0 | 0 | 0 | 123.7 | ||||
| 1657 | R | 28.8 | Very low | 31.1 | Very low | 230 Ų | 230 | 154.1 Ų | 154.1 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | 77.4 | 125.2 | 141.7 | -64 | -177.2 | 177.8 | -167.5 | -0.7 | 121.1 | ||||
| 1658 | P | 39 | Very low | 31.2 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 173.4 | 158.6 | 40.3 | -36.1 | 0 | 0 | 0 | 111.4 | ||||
| 1659 | P | 35.3 | Very low | 31.2 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -156.6 | 157.5 | 93.2 | 41.6 | -22.8 | 0 | 0 | 0 | 118.8 | |||||
| 1660 | N | 32.1 | Very low | 31.5 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 65.5 | 139.4 | 139.9 | -88.6 | -10.9 | 0 | 0 | 0 | 126 | ||||
| 1661 | M | 30 | Very low | 31.7 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 72.5 | 121.8 | 142.4 | -65.4 | -82.9 | -131.5 | 0 | 0 | 120.9 | ||||
| 1662 | G | 30.1 | Very low | 32 | Very low | 79 Ų | 79 | 151.8 Ų | 151.8 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 175.6 | 120.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1663 | Q | 27.5 | Very low | 32.1 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 165.3 | -170.3 | -68.6 | 165.5 | -26.6 | 0 | 0 | 114.5 | ||||
| 1664 | C | 31.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -70 | 169.2 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1665 | P | 35.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | -141.6 | 166.1 | 109.6 | 39.4 | -28.2 | 0 | 0 | 0 | 115.6 | |||||
| 1666 | P | 39.7 | Very low | 32.8 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -119.4 | -168.4 | -177 | 43.3 | -32.5 | 0 | 0 | 0 | 115.4 | ||||
| 1667 | L | 31.1 | Very low | 32.8 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | 107.2 | 140.9 | 156.8 | -112.9 | 75.2 | 0 | 0 | 0 | 120.7 | ||||
| 1668 | N | 32 | Very low | 32.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | 71.4 | 147.1 | 156.2 | -66.5 | -16.6 | 0 | 0 | 0 | 119.7 | ||||
| 1669 | Q | 30.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -168 | 155.1 | -16.8 | -117.8 | 170.7 | 38.9 | 0 | 0 | 109.9 | ||||
| 1670 | M | 34 | Very low | 32.1 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | 171.8 | 140.2 | 135.4 | -85.9 | -107.7 | 78.4 | 0 | 0 | 111.3 | ||||
| 1671 | Q | 32.4 | Very low | 32 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -151.9 | 150 | 176 | -137.1 | -172.9 | 35.6 | 0 | 0 | 108.4 | ||||
| 1672 | P | 35.5 | Very low | 32.3 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | -141.5 | 141.5 | 108.6 | 24.6 | -4.9 | 0 | 0 | 0 | 112.5 | |||||
| 1673 | Q | 30.3 | Very low | 32.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 87.2 | 122.8 | 53.5 | -77.4 | -162.4 | 6.3 | 0 | 0 | 115.7 | |||||
| 1674 | L | 35.3 | Very low | 32.4 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 144.1 | 146.6 | 140.3 | -78.5 | 168.4 | 0 | 0 | 0 | 111.7 | ||||
| 1675 | Q | 31.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | -162.8 | 163.7 | -55.5 | -122.9 | -175.8 | 1.3 | 0 | 0 | 111.2 | |||||
| 1676 | S | 35.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | 92 | 141.6 | 164.1 | 81.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1677 | A | 30.6 | Very low | 31.2 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | cis | -163.6 | 124.3 | -28.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1678 | Y | 31.5 | Very low | 31.1 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | 165.4 | 144 | 129.3 | -92.9 | -68.5 | 0 | 0 | 0 | 109.2 | |||||
| 1679 | Q | 26.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -101.9 | 140.4 | -158.8 | -60.1 | 169.7 | -67.4 | 0 | 0 | 113.5 | ||||
| 1680 | P | 30.5 | Very low | 31 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -84.1 | 127.8 | 151 | 32.8 | -28.2 | 0 | 0 | 0 | 110 | ||||
| 1681 | L | 29.4 | Very low | 31 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | -104.7 | 131.1 | 167.8 | -86 | 169.7 | 0 | 0 | 0 | 109.7 | ||||
| 1682 | P | 37.3 | Very low | 31 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -89.1 | 134.7 | -179 | 34.1 | -32.7 | 0 | 0 | 0 | 111.6 | ||||
| 1683 | F | 28.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 59% | 0.592 | 73% | 0.729 | S | S | * | * | trans | -161.2 | 135.7 | 166.3 | -106.6 | -66.5 | 0 | 0 | 0 | 113 | P1742 N1743 | F1683-P1742 HydrophobicContact CD1-CB 3.67Å; F1683-P1742 HydrophobicContact CD1-CG 3.46Å; F1683-P1742 VanDerWaalsContact CD1-CG 3.46Å; F1683-P1742 HydrophobicContact CE1-CB 3.71Å; F1683-P1742 HydrophobicContact CE1-CG 3.51Å; F1683-N1743 HydrophobicContact CE1-CB 3.69Å; F1683-N1743 WeakPolarHBondContact CE1-ND2 3.15Å; F1683-N1743 WeakPolarHBondContact CE1-OD1 3.42Å; F1683-N1743 HydrophobicContact CZ-CB 4.05Å; F1683-N1743 VanDerWaalsContact CZ-CG 3.47Å; F1683-N1743 WeakPolarHBondContact CZ-ND2 3.31Å | ||
| 1684 | L | 30.6 | Very low | 30.6 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | trans | -72.8 | 139.5 | 159.6 | -69.9 | 137.9 | 0 | 0 | 0 | 109.4 | P1742 | L1684-P1742 HydrophobicContact CB-CB 4.36Å; L1684-P1742 WeakPolarHBondContact O-CB 3.37Å; L1684-P1742 WeakPolarHBondContact O-CG 3.49Å | ||
| 1685 | Q | 27.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 49% | 0.491 | 73% | 0.73 | S | S | . | * | 177.4 | 161.5 | 121.9 | -108 | -175.3 | -16 | 0 | 0 | 116.7 | N1741 P1742 | Q1685-N1741 VanDerWaalsContact CD-C 3.46Å; Q1685-N1741 PolarHBondContact NE2-O 3.2Å; Q1685-N1741 VanDerWaalsContact OE1-C 3.28Å; Q1685-P1742 HydrophobicContact CB-CG 4.1Å; Q1685-P1742 HydrophobicContact CG-CB 4.02Å; Q1685-P1742 HydrophobicContact CG-CG 3.86Å; Q1685-P1742 VanDerWaalsContact OE1-CD 3.31Å | |||
| 1686 | F | 29.7 | Very low | 30 | Very low | 186 Ų | 186 | 138 Ų | 138 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -68.9 | 136.3 | 164.4 | -65.8 | -113.6 | 0 | 0 | 0 | 112 | ||||
| 1687 | Q | 25.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 51% | 0.509 | 71% | 0.71 | S | S | . | * | 174.7 | 159.6 | 104.7 | -100.5 | 163.2 | 1 | 0 | 0 | 114.5 | L1738 | Q1687-L1738 VanDerWaalsContact OE1-CA 3.31Š| |||
| 1688 | R | 27.8 | Very low | 29.2 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -46.1 | 135.9 | -173.6 | -60.5 | 170.1 | 174.7 | 166.8 | -1.9 | 116.6 | ||||
| 1689 | V | 28.2 | Very low | 29 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | trans | -137 | 137.7 | 139.8 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1690 | I | 33.8 | Very low | 28.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | -135.2 | 127 | 177.4 | -69.1 | 170.9 | 0 | 0 | 0 | 105.1 | ||||
| 1691 | P | 34.5 | Very low | 28.6 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | -156.4 | -177.4 | 93.1 | 40.5 | -20.5 | 0 | 0 | 0 | 115.5 | |||||
| 1692 | P | 32.6 | Very low | 28.5 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | cis | -126.9 | 131.3 | -15.1 | 23.2 | -1.1 | 0 | 0 | 0 | 115.6 | ||||
| 1693 | T | 28.6 | Very low | 28 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | 54.2 | 144.7 | 132.4 | -22.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1694 | V | 27.3 | Very low | 27.7 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | trans | 83.4 | 120.3 | 162.7 | -168.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1695 | Y | 27.4 | Very low | 27.6 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | cis | -128.5 | 151.5 | -5.5 | -95.8 | -68.7 | 0 | 0 | 0 | 109.9 | ||||
| 1696 | P | 26 | Very low | 27.6 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | -87 | 152.6 | 165.2 | 35.6 | -32.9 | 0 | 0 | 0 | 112.3 | ||||
| 1697 | I | 27.4 | Very low | 27.5 | Very low | 102 Ų | 102 | 146 Ų | 146 | 52% | 0.523 | 74% | 0.738 | S | S | . | * | trans | -121.1 | 113.2 | 155.5 | -67.3 | 179.7 | 0 | 0 | 0 | 107.3 | E983 M1699 | E983-I1697 HydrophobicContact CG-CD1 4.37Å; E983-I1697 VanDerWaalsContact OE1-CG2 3.24Å; E983-I1697 WeakPolarHBondContact OE1-CG2 3.25Å; I1697-M1699 PolarHBondContact O-N 3Å | ||
| 1698 | N | 23.7 | Very low | 27.5 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -82.3 | 110 | 178.8 | -75.4 | -2.9 | 0 | 0 | 0 | 110.1 | T1700 | N1698-T1700 PolarHBondContact O-N 3.33Š| ||
| 1699 | M | 26.4 | Very low | 27.4 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -85.2 | 56.3 | 153.1 | -78.6 | -170.5 | 164.4 | 0 | 0 | 110.2 | I1697 | I1697-M1699 PolarHBondContact O-N 3Š| ||
| 1700 | T | 23.6 | Very low | 27.3 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 57% | 0.571 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -140.5 | 100 | 172.8 | 40 | 0 | 0 | 0 | 0 | 109.7 | N1698 | N1698-T1700 PolarHBondContact O-N 3.33Š|
| 1701 | T | 25.4 | Very low | 27 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | 24.5 | 106.7 | 150.2 | 56 | 0 | 0 | 0 | 0 | 118.5 | Y1703 | T1701-Y1703 PolarHBondContact O-N 3.35Š| ||
| 1702 | P | 27.2 | Very low | 26.7 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -70.7 | 110.6 | 140.6 | 31.2 | -29 | 0 | 0 | 0 | 108 | ||||
| 1703 | Y | 26 | Very low | 26.5 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | 85.3 | 122.8 | 79.2 | -84.2 | -60.6 | 0 | 0 | 0 | 113.7 | T1701 | T1701-Y1703 PolarHBondContact O-N 3.35Š| |||
| 1704 | L | 23 | Very low | 26.5 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -44.1 | 132.8 | 172.4 | -67.7 | 147.6 | 0 | 0 | 0 | 112.9 | ||||
| 1705 | Y | 28.1 | Very low | 26.5 | Very low | 229 Ų | 229 | 152.9 Ų | 152.9 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -122.5 | 92.5 | 156.9 | -118.1 | -86.3 | 0 | 0 | 0 | 109.3 | ||||
| 1706 | D | 26.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -86.8 | 105.4 | 166.5 | 176.9 | 9.3 | 0 | 0 | 0 | 109.1 | ||||
| 1707 | R | 28.7 | Very low | 26.8 | Very low | 233 Ų | 233 | 152.3 Ų | 152.3 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | -154.9 | 100.1 | 151.1 | -116.7 | 177.1 | -169 | -152.6 | 1.9 | 112.3 | ||||
| 1708 | R | 24.7 | Very low | 27.1 | Very low | 226 Ų | 226 | 152 Ų | 152 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -22.2 | 129.7 | 162.1 | -47 | 170.4 | -170 | -178.5 | -0.4 | 114.9 | ||||
| 1709 | M | 27.1 | Very low | 27.7 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -160.6 | 123 | 116.9 | -117.6 | 170.8 | 170.4 | 0 | 0 | 113.7 | |||||
| 1710 | S | 25.8 | Very low | 27.7 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | 37 | 107.4 | 146.6 | 52.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1711 | D | 26.3 | Very low | 28.4 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | 83.5 | 135.9 | 119.3 | -53.2 | -32.8 | 0 | 0 | 0 | 123 | |||||
| 1712 | S | 28.1 | Very low | 28.6 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 68.7 | 141.5 | 165.6 | 71 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1713 | S | 28.2 | Very low | 28.9 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | cis | -168.9 | 136.7 | -19.4 | 44 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1714 | Y | 29.2 | Very low | 29.1 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 72.6 | 129.2 | 156.2 | -78.5 | -124 | 0 | 0 | 0 | 116.3 | ||||
| 1715 | I | 28.2 | Very low | 29.5 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | 80.7 | 133 | 56 | -70.9 | 166.5 | 0 | 0 | 0 | 111.4 | |||||
| 1716 | S | 26.9 | Very low | 29.9 | Very low | 76 Ų | 76 | 146 Ų | 146 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | cis | -170.4 | 167.7 | -22.1 | 61.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1717 | Y | 31.4 | Very low | 30.1 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | 172.8 | 133.2 | 117 | -97.3 | -69.7 | 0 | 0 | 0 | 111.9 | |||||
| 1718 | S | 34 | Very low | 30.2 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -116.8 | 174.7 | 167.5 | -159 | 0 | 0 | 0 | 0 | 107.2 | M1720 | S1718-M1720 PolarHBondContact OG-N 2.83Š| ||
| 1719 | P | 36.7 | Very low | 30.4 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | -146.4 | 135.1 | 75.8 | 34.3 | -14.7 | 0 | 0 | 0 | 115.9 | |||||
| 1720 | M | 27.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 141 Ų | 141 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | trans | -81.2 | 151.3 | 133.5 | -83.1 | -174.1 | 164.5 | 0 | 0 | 109.1 | S1718 | S1718-M1720 PolarHBondContact OG-N 2.83Š| ||
| 1721 | P | 37.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -68.8 | 136.5 | 166.5 | -11 | 26.9 | 0 | 0 | 0 | 110.5 | ||||
| 1722 | M | 29.7 | Very low | 30.9 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -108.6 | 151.5 | 168.5 | -74.4 | -165 | 74.3 | 0 | 0 | 110.9 | ||||
| 1723 | Y | 33 | Very low | 31.1 | Very low | 214 Ų | 214 | 141.8 Ų | 141.8 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -114.4 | 153.3 | 146.1 | -83.9 | -86.8 | 0 | 0 | 0 | 110 | ||||
| 1724 | P | 31.1 | Very low | 31.3 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -102.5 | 149.4 | -144.5 | 36.7 | -36.2 | 0 | 0 | 0 | 116 | ||||
| 1725 | P | 31.5 | Very low | 31.2 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | -89.6 | 143.1 | 167 | 35.1 | -32.1 | 0 | 0 | 0 | 112.3 | ||||
| 1726 | N | 36.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -138.6 | 115.8 | 171.5 | -98.5 | -35.1 | 0 | 0 | 0 | 112.4 | ||||
| 1727 | F | 30 | Very low | 31.3 | Very low | 187 Ų | 187 | 148 Ų | 148 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | trans | 36.2 | 124.2 | 143.3 | -73.1 | -90.1 | 0 | 0 | 0 | 119.5 | ||||
| 1728 | V | 30.8 | Very low | 31.2 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | -173.6 | 129.2 | 69.6 | 164.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1729 | N | 29.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 145 Ų | 145 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | 21.7 | 138.4 | 145.2 | -69.8 | -66.6 | 0 | 0 | 0 | 125.7 | ||||
| 1730 | R | 27.5 | Very low | 30.4 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 74% | 0.741 | S | S | * | * | trans | 71.2 | 150.9 | 140.5 | -69.2 | 168.7 | -171.5 | -169.3 | 0.4 | 117.6 | ||||
| 1731 | A | 29.3 | Very low | 30.6 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | cis | -152.1 | 172.7 | -1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1732 | P | 34.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | -107.2 | 160.5 | -167.8 | 39.3 | -33.9 | 0 | 0 | 0 | 116.9 | ||||
| 1733 | I | 32.7 | Very low | 30.3 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 84% | 0.836 | 70% | 0.7 | S | S | * | * | trans | 72.4 | 143.8 | 159.8 | -70.5 | 162 | 0 | 0 | 0 | 113.8 | ||||
| 1734 | P | 31.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | cis | -134.1 | -171.3 | 34.4 | 39.4 | -18.9 | 0 | 0 | 0 | 118 | ||||
| 1735 | Q | 28.5 | Very low | 30 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -68.4 | 152 | 174.8 | -57.1 | 167.1 | -20.9 | 0 | 0 | 113.1 | ||||
| 1736 | F | 29.9 | Very low | 29.7 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 89% | 0.89 | 70% | 0.704 | S | S | * | * | trans | -146.1 | 174.5 | 148.7 | -109 | -77.5 | 0 | 0 | 0 | 111.3 | ||||
| 1737 | Q | 25.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -140.1 | 138 | -153.5 | -161.9 | -179.2 | -8.1 | 0 | 0 | 113.7 | ||||
| 1738 | L | 29.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 58% | 0.576 | 71% | 0.71 | S | S | * | * | trans | 65.4 | 155.4 | 154.9 | -81.8 | 164.3 | 0 | 0 | 0 | 121.8 | Q1687 | Q1687-L1738 VanDerWaalsContact OE1-CA 3.31Š| ||
| 1739 | M | 26.9 | Very low | 28.9 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | 97.6 | 95.2 | 159.6 | -51.7 | -145 | 74 | 0 | 0 | 119.2 | ||||
| 1740 | S | 28.1 | Very low | 28.7 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | 17.3 | 136.2 | 121.8 | 58 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1741 | N | 29.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | -160 | 158.7 | 60.4 | -168.8 | 52.5 | 0 | 0 | 0 | 112.3 | Q1685 | Q1685-N1741 VanDerWaalsContact CD-C 3.46Å; Q1685-N1741 PolarHBondContact NE2-O 3.2Å; Q1685-N1741 VanDerWaalsContact OE1-C 3.28Å | |||
| 1742 | P | 33.2 | Very low | 28.5 | Very low | 31 Ų | 31 | 133.1 Ų | 133.1 | 20% | 0.201 | 72% | 0.719 | C | S | . | * | trans | -108.4 | -172 | -175.3 | 17 | 5.7 | 0 | 0 | 0 | 114.3 | F1683 L1684 Q1685 | F1683-P1742 HydrophobicContact CD1-CB 3.67Å; F1683-P1742 HydrophobicContact CD1-CG 3.46Å; F1683-P1742 VanDerWaalsContact CD1-CG 3.46Å; F1683-P1742 HydrophobicContact CE1-CB 3.71Å; F1683-P1742 HydrophobicContact CE1-CG 3.51Å; L1684-P1742 HydrophobicContact CB-CB 4.36Å; L1684-P1742 WeakPolarHBondContact O-CB 3.37Å; L1684-P1742 WeakPolarHBondContact O-CG 3.49Å; Q1685-P1742 HydrophobicContact CB-CG 4.1Å; Q1685-P1742 HydrophobicContact CG-CB 4.02Å; Q1685-P1742 HydrophobicContact CG-CG 3.86Å; Q1685-P1742 VanDerWaalsContact OE1-CD 3.31Å | ||
| 1743 | N | 28.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 53% | 0.529 | 73% | 0.728 | S | S | . | * | trans | 76.3 | 102 | 177.6 | -88.1 | 7.2 | 0 | 0 | 0 | 119.5 | F1683 | F1683-N1743 HydrophobicContact CE1-CB 3.69Å; F1683-N1743 WeakPolarHBondContact CE1-ND2 3.15Å; F1683-N1743 WeakPolarHBondContact CE1-OD1 3.42Å; F1683-N1743 HydrophobicContact CZ-CB 4.05Å; F1683-N1743 VanDerWaalsContact CZ-CG 3.47Å; F1683-N1743 WeakPolarHBondContact CZ-ND2 3.31Å | ||
| 1744 | A | 30.4 | Very low | 28 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | -151.3 | 113.1 | 125.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 1745 | Q | 27 | Very low | 27.8 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | 55.8 | 105.7 | 70.6 | -76.5 | -160.3 | -12.5 | 0 | 0 | 115.7 | |||||
| 1746 | V | 25.7 | Very low | 27.7 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | 61.8 | 116.9 | 141.1 | -171.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1747 | F | 26.7 | Very low | 27.5 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | -169.1 | 146 | 109 | -112 | -75.5 | 0 | 0 | 0 | 113.4 | |||||
| 1748 | N | 27.6 | Very low | 27.5 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -80.7 | 135.4 | 163 | -69.9 | -24 | 0 | 0 | 0 | 109.7 | ||||
| 1749 | S | 24.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -168 | 141.3 | 137.8 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1750 | T | 26.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -65 | 140.3 | 162.5 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1751 | M | 26.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -137.6 | 134.3 | 151.4 | -86.8 | -158.6 | 161.1 | 0 | 0 | 111.4 | ||||
| 1752 | N | 25.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -81.9 | 151.5 | 172.5 | -59.6 | -16.5 | 0 | 0 | 0 | 109.7 | ||||
| 1753 | Y | 29.1 | Very low | 28.5 | Very low | 228 Ų | 228 | 143.4 Ų | 143.4 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -138.6 | 81.6 | 153.7 | -102.6 | -77 | 0 | 0 | 0 | 110.7 | ||||
| 1754 | E | 27.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -75.9 | 158.9 | 149.8 | -69.8 | -173.6 | 132.1 | 0 | 0 | 109.7 | ||||
| 1755 | N | 26.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 103.8 | 88.1 | 176.7 | -60.3 | -72.7 | 0 | 0 | 0 | 113.9 | ||||
| 1756 | T | 26.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | 98.3 | 146.7 | 55.3 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1757 | N | 26.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 115.1 | 147.1 | -83.9 | -60.2 | 0 | 0 | 0 | 119.4 | ||||
| 1758 | R | 25.4 | Very low | 28.8 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | 75.2 | 147.9 | 137.9 | -54.8 | 166.6 | -168.6 | -159 | -3.6 | 115.3 | ||||
| 1759 | L | 26.7 | Very low | 28.7 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -140 | 153.8 | 17.9 | -86.6 | 91.6 | 0 | 0 | 0 | 113.4 | ||||
| 1760 | N | 28.8 | Very low | 28.8 | Very low | 142 Ų | 142 | 149.2 Ų | 149.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 69.1 | 115.3 | 136 | -65.8 | 13.3 | 0 | 0 | 0 | 124.5 | ||||
| 1761 | N | 30.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -51.9 | 176.7 | 136.3 | -65.1 | -20.2 | 0 | 0 | 0 | 113.9 | ||||
| 1762 | P | 46.4 | Very low | 29 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -120.8 | -126.8 | -40.4 | 32.5 | -10.3 | 0 | 0 | 0 | 108.2 | ||||
| 1763 | P | 35.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -127.2 | 177.7 | 24.6 | 43.5 | -27.3 | 0 | 0 | 0 | 115.8 | ||||
| 1764 | M | 30.9 | Very low | 29.3 | Very low | 178 Ų | 178 | 146 Ų | 146 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | -66.4 | 155.7 | 157.2 | -59.2 | -179.3 | 74.6 | 0 | 0 | 110.9 | ||||
| 1765 | L | 29.6 | Very low | 29.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -146.4 | 128.4 | 147.5 | -115.3 | 168.8 | 0 | 0 | 0 | 110.7 | ||||
| 1766 | S | 31 | Very low | 29.5 | Very low | 86 Ų | 86 | 147 Ų | 147 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -89.9 | -168.9 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1767 | Y | 26.1 | Very low | 29.6 | Very low | 223 Ų | 223 | 153 Ų | 153 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | 72.8 | 129.9 | -171.4 | -56.8 | -90 | 0 | 0 | 0 | 114.8 | ||||
| 1768 | G | 27.9 | Very low | 30.7 | Very low | 69 Ų | 69 | 152 Ų | 152 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | 172.3 | 163.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1769 | E | 26.3 | Very low | 31 | Very low | 149 Ų | 149 | 148 Ų | 148 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 38 | 104.2 | 141.8 | -99.4 | -170.7 | -119 | 0 | 0 | 119.3 | ||||
| 1770 | R | 26.6 | Very low | 31.4 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | 162.4 | 136.8 | 97.3 | -91.4 | 150.4 | -166.8 | -165.7 | 6.2 | 114.8 | |||||
| 1771 | N | 27.8 | Very low | 31.4 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 64.6 | 147.4 | 140.7 | -63.2 | -24.8 | 0 | 0 | 0 | 118.5 | ||||
| 1772 | R | 28.1 | Very low | 31.4 | Very low | 198 Ų | 198 | 149 Ų | 149 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | cis | -168.7 | 148.2 | -7.1 | -118 | 174 | -172.8 | -171.7 | -1 | 108.4 | ||||
| 1773 | L | 29.3 | Very low | 30.6 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 64.4 | 151.1 | 153.3 | -58.1 | 163.6 | 0 | 0 | 0 | 115.8 | ||||
| 1774 | D | 31.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | cis | -124.4 | 156.1 | 3.7 | -106.7 | -49.6 | 0 | 0 | 0 | 113.5 | ||||
| 1775 | S | 27.1 | Very low | 30.5 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | trans | -92.2 | 152.9 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1776 | Y | 31.3 | Very low | 30.5 | Very low | 233 Ų | 233 | 146.6 Ų | 146.6 | 91% | 0.914 | 75% | 0.747 | S | S | * | * | -145.2 | 134.7 | 126.5 | -102.5 | -73.7 | 0 | 0 | 0 | 111.1 | |||||
| 1777 | R | 27.7 | Very low | 30.5 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -135.7 | 178.3 | 174.4 | -123.2 | -150 | 172.9 | -170.3 | -0.1 | 108 | ||||
| 1778 | P | 50.3 | Low | 30.7 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | trans | -88.6 | -159.3 | -148.7 | 40.8 | -40.4 | 0 | 0 | 0 | 112.6 | ||||
| 1779 | P | 33.2 | Very low | 30.9 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | -133.5 | 143.8 | 118.3 | 36.6 | -28.1 | 0 | 0 | 0 | 114.9 | |||||
| 1780 | V | 33.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -89.2 | 143.7 | 154.3 | 170.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1781 | K | 29.4 | Very low | 31.5 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -170.4 | 145.3 | 150.8 | -112.7 | 170.4 | -179.3 | -175.5 | 0 | 115.6 | ||||
| 1782 | Q | 31.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | trans | 73.4 | 88.2 | 144.5 | -74.6 | 163.2 | -43.7 | 0 | 0 | 120.9 | ||||
| 1783 | D | 28.5 | Very low | 32 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | 54.7 | 152.9 | 105 | -52.4 | -43.8 | 0 | 0 | 0 | 122.7 | |||||
| 1784 | L | 30.5 | Very low | 32.1 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | trans | 93.5 | 143.9 | 166.8 | -63.7 | 171.1 | 0 | 0 | 0 | 117.3 | ||||
| 1785 | P | 34.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | -138.8 | -179.8 | -121.5 | 44.1 | -28.1 | 0 | 0 | 0 | 117.2 | |||||
| 1786 | S | 29.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 74.5 | 154.1 | 168.1 | 83.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1787 | N | 30.1 | Very low | 31.9 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | cis | -141.9 | 173.6 | 18.9 | -138.6 | -29.9 | 0 | 0 | 0 | 114.3 | ||||
| 1788 | R | 30.8 | Very low | 32 | Very low | 225 Ų | 225 | 135.9 Ų | 135.9 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | trans | -77.9 | 149.8 | -170.2 | -60.5 | 167.6 | 169.8 | 171.1 | -5.6 | 115.1 | ||||
| 1789 | S | 31.2 | Very low | 30.8 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | -153.5 | 92.4 | 121.7 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1790 | T | 32.7 | Very low | 30.5 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | 62.3 | 101.9 | 121.4 | 55.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1791 | T | 33.3 | Very low | 30.1 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | 67.4 | 149.3 | 61.8 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1792 | P | 35.3 | Very low | 30 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -121.1 | 158.4 | 7.8 | 31.5 | -11.1 | 0 | 0 | 0 | 113.7 | ||||
| 1793 | H | 30.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | cis | 66.4 | 135.8 | 49.8 | -69.1 | -80 | 0 | 0 | 0 | 113.5 | ||||
| 1794 | H | 31.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | -160.1 | 151 | 55.4 | -95.9 | -67.2 | 0 | 0 | 0 | 115.9 | |||||
| 1795 | N | 29.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 36.5 | 129 | 135.2 | -53.1 | 13.7 | 0 | 0 | 0 | 119.8 | ||||
| 1796 | A | 30.8 | Very low | 29.6 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | 74.3 | 140.4 | 30.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1797 | N | 27.4 | Very low | 29.7 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 67.4 | 100.6 | 179.5 | -58.6 | -13.9 | 0 | 0 | 0 | 117.1 | ||||
| 1798 | Q | 28.7 | Very low | 29.7 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 94% | 0.944 | 69% | 0.694 | S | S | * | * | -158 | 155.9 | 104.8 | -106.2 | 174.1 | 28.5 | 0 | 0 | 112.1 | |||||
| 1799 | S | 25.3 | Very low | 29.7 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -97.7 | 129.8 | -172.5 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1800 | R | 26.6 | Very low | 29.6 | Very low | 236 Ų | 236 | 126 Ų | 126 | 89% | 0.891 | 66% | 0.657 | S | S | * | * | trans | -172.7 | 166.2 | 146.3 | -100.8 | 146.9 | -165.7 | -142.6 | 2.5 | 111.3 | ||||
| 1801 | R | 24.8 | Very low | 29.4 | Very low | 228 Ų | 228 | 128 Ų | 128 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | trans | -39.5 | 127.6 | -176.7 | -58.6 | 166.3 | -179.2 | 163.5 | -2.3 | 113.1 | ||||
| 1802 | F | 26.8 | Very low | 29.1 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | trans | -101.6 | 132.8 | 164.2 | -96.9 | -88.4 | 0 | 0 | 0 | 110.7 | Y386 | Y386-F1802 HydrophobicContact CE1-CD1 4.46Å; Y386-F1802 HydrophobicContact CE1-CE1 4.22Å; Y386-F1802 AromaticContact CZ-CE1 4Å; Y386-F1802 VanDerWaalsContact OH-CD1 3.29Å; Y386-F1802 WeakPolarHBondContact OH-CD1 3.4Å; Y386-F1802 WeakPolarHBondContact OH-CE1 3.5Å | ||
| 1803 | I | 27.7 | Very low | 28.9 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 59% | 0.585 | 67% | 0.673 | S | S | * | * | trans | -111.7 | 145.5 | -177 | -64.3 | 169.5 | 0 | 0 | 0 | 106 | ||||
| 1804 | P | 28.9 | Very low | 28.8 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 136.7 | 175.1 | 25.1 | -34.8 | 0 | 0 | 0 | 110.7 | V271 Q1806 | V271-P1804 HydrophobicContact CG2-CG 4.28Å; P1804-Q1806 PolarHBondContact O-N 3.1Å |
| 1805 | P | 31.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.8 | -177 | 28.4 | -34 | 0 | 0 | 0 | 111.6 | ||
| 1806 | Q | 29.6 | Very low | 28.6 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 58% | 0.575 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 155.7 | 173.3 | -97.3 | -172.1 | -35.3 | 0 | 0 | 112.6 | D304 P1804 | D304-Q1806 PolarHBondContact OD2-NE2 3.15Å; P1804-Q1806 PolarHBondContact O-N 3.1Å |
| 1807 | V | 31.2 | Very low | 28.5 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | trans | 77.1 | 154.4 | 141.7 | 160.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1808 | S | 30.3 | Very low | 28.6 | Very low | 37 Ų | 37 | 134.5 Ų | 134.5 | 26% | 0.259 | 66% | 0.662 | S | S | . | * | trans | 73.5 | 123.4 | 175.9 | 69.6 | 0 | 0 | 0 | 0 | 117.6 | M390 | M390-S1808 VanDerWaalsContact CE-CB 3.45Š| ||
| 1809 | R | 29.9 | Very low | 28.6 | Very low | 93 Ų | 93 | 130 Ų | 130 | 35% | 0.351 | 64% | 0.643 | S | S | . | * | cis | 103.4 | 82 | 5.7 | -60.8 | -164 | 175.8 | -156.7 | 2.1 | 118.8 | W305 E308 | W305-R1809 PolarHBondContact O-NH2 2.6Å; E308-R1809 VanDerWaalsContact CB-NH1 3.31Å; E308-R1809 VanDerWaalsContact CD-CZ 3.45Å; E308-R1809 PolarHBondContact O-NH1 3.01Å; E308-R1809 WeakPolarHBondContact OE1-CD 3.44Å; E308-R1809 IonicContact OE1-CZ 3.8Å; E308-R1809 IonicContact OE1-NE 3.46Å; E308-R1809 PolarHBondContact OE1-NE 3.22Å; E308-R1809 IonicContact OE2-CZ 2.75Å; E308-R1809 IonicContact OE2-NE 2.61Å; E308-R1809 PolarHBondContact OE2-NE 3.35Å; E308-R1809 IonicContact OE2-NH2 3.14Å; E308-R1809 PolarHBondContact OE2-NH2 2.85Å | ||
| 1810 | T | 29.9 | Very low | 28.8 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | trans | -129.5 | 106.1 | 133.8 | 63.4 | 0 | 0 | 0 | 0 | 115.6 | E393 L397 | E393-T1810 WeakPolarHBondContact OE1-CA 3.46Å; E393-T1810 VanDerWaalsContact OE1-CB 3.31Å; E393-T1810 WeakPolarHBondContact OE1-CB 3.5Å; E393-T1810 PolarHBondContact OE1-N 3.24Å; E393-T1810 PolarHBondContact OE1-OG1 3.26Å; E393-T1810 WeakPolarHBondContact OE2-CG2 3.4Å; E393-T1810 PolarHBondContact OE2-N 3.37Å; L397-T1810 HydrophobicContact CD1-CG2 4.15Å | ||
| 1811 | R | 28.4 | Very low | 29 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 57% | 0.566 | 62% | 0.617 | S | S | * | * | trans | -81.2 | 136 | 169.2 | -79.7 | 170.5 | 135.4 | -146.1 | -7.8 | 112.1 | H258 | H258-R1811 PolarHBondContact O-NH2 3.48Š| ||
| 1812 | R | 26 | Very low | 29.3 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | trans | -135.9 | 141.5 | 160.5 | -76.5 | -169.7 | 168.4 | -173 | -1.1 | 112.8 | K737 | K737-R1812 PolarHBondContact NZ-O 3.48Š| ||
| 1813 | P | 31.7 | Very low | 29.6 | Very low | 196 Ų | 196 | 110.5 Ų | 110.5 | 100% | 1.273 | 59% | 0.585 | S | S | * | * | trans | -73.2 | 0 | -174.8 | 32.5 | -37.2 | 0 | 0 | 0 | 113.8 |
Retrieved 1,813 of 1,813 residues in 429.5 ms
(Link to these results)