| 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 | 70.4 | Confident | 81.4 | Confident | 189 Ų | 189 | 100.5 Ų | 100.5 | 93% | 0.931 | 50% | 0.504 | S | S | * | . | 0 | -49.9 | 0 | -160 | -176.6 | -65.9 | 0 | 0 | 111.8 | L4 M5 | M1-L4 PolarHBondContact O-N 2.71Å; M1-M5 HydrophobicContact CG-CE 4.19Å; M1-M5 PolarHBondContact O-N 2.93Å | |||
| 2 | Q | 77.3 | Confident | 81.9 | Confident | 164 Ų | 164 | 96.5 Ų | 96.5 | 77% | 0.766 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 176.6 | -75.9 | 174.2 | -21.9 | 0 | 0 | 113.9 | L4 M5 A6 | Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.05Å; Q2-M5 HydrophobicContact CG-CE 4.28Å; Q2-M5 PolarHBondContact O-N 3.47Å; Q2-A6 WeakPolarHBondContact O-CB 3.31Å; Q2-A6 PolarHBondContact O-N 3.47Å |
| 3 | E | 81.1 | Confident | 82.4 | Confident | 170 Ų | 170 | 91.2 Ų | 91.2 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 176.8 | -66.9 | -178.3 | 163.3 | 0 | 0 | 113 | Y7 | E3-Y7 WeakPolarHBondContact O-CB 3.37Å; E3-Y7 PolarHBondContact O-N 3.08Å |
| 4 | L | 81.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 84.7 Ų | 84.7 | 56% | 0.555 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 176.5 | -179.3 | 65 | 0 | 0 | 0 | 111.5 | M1 Q2 Y7 L8 | M1-L4 PolarHBondContact O-N 2.71Å; Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.05Å; L4-Y7 PolarHBondContact O-N 2.94Å; L4-L8 HydrophobicContact CD1-CD1 4.27Å; L4-L8 HydrophobicContact CD1-CG 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.49Å |
| 5 | M | 80.6 | Confident | 83 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.8 | -69.7 | -173.1 | -71.4 | 0 | 0 | 111.4 | M1 Q2 Y7 L8 Q9 | M1-M5 HydrophobicContact CG-CE 4.19Å; M1-M5 PolarHBondContact O-N 2.93Å; Q2-M5 HydrophobicContact CG-CE 4.28Å; Q2-M5 PolarHBondContact O-N 3.47Å; M5-Y7 VanDerWaalsContact C-N 3.33Å; M5-Y7 PolarHBondContact O-N 3.26Å; M5-L8 PolarHBondContact O-N 3.34Å; M5-Q9 WeakPolarHBondContact O-CB 3.46Å; M5-Q9 PolarHBondContact O-N 3.03Å |
| 6 | A | 81.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 82.8 Ų | 82.8 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q2 Q9 D10 | Q2-A6 WeakPolarHBondContact O-CB 3.31Å; Q2-A6 PolarHBondContact O-N 3.47Å; A6-Q9 PolarHBondContact O-N 3.44Å; A6-D10 PolarHBondContact O-N 3.48Å |
| 7 | Y | 85.3 | Confident | 83.8 | Confident | 129 Ų | 129 | 80.6 Ų | 80.6 | 51% | 0.506 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 174.8 | 177.2 | -103.2 | 0 | 0 | 0 | 112.1 | E3 L4 M5 Q9 D10 L13 | E3-Y7 WeakPolarHBondContact O-CB 3.37Å; E3-Y7 PolarHBondContact O-N 3.08Å; L4-Y7 PolarHBondContact O-N 2.94Å; M5-Y7 VanDerWaalsContact C-N 3.33Å; M5-Y7 PolarHBondContact O-N 3.26Å; Y7-Q9 PolarHBondContact O-N 2.89Å; Y7-D10 WeakPolarHBondContact O-CB 3.33Å; Y7-D10 PolarHBondContact O-N 3Å; Y7-D10 VanDerWaalsContact O-N 3.1Å; Y7-L13 HydrophobicContact CD1-CD1 4.1Å; Y7-L13 HydrophobicContact CE1-CD1 3.88Å; Y7-L13 HydrophobicContact CE1-CD2 4.29Å; Y7-L13 HydrophobicContact CE2-CD1 4.41Å; Y7-L13 HydrophobicContact CE2-CD2 4.01Å; Y7-L13 HydrophobicContact CG-CD1 4.47Å; Y7-L13 WeakPolarHBondContact O-CD1 3.49Å |
| 8 | L | 83.1 | Confident | 84.1 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.7 | -23 | -178.5 | -69 | 174.3 | 0 | 0 | 0 | 113.8 | L4 M5 V212 L213 | L4-L8 HydrophobicContact CD1-CD1 4.27Å; L4-L8 HydrophobicContact CD1-CG 4.32Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.49Å; M5-L8 PolarHBondContact O-N 3.34Å; L8-V212 HydrophobicContact CD2-CB 4.39Å; L8-V212 HydrophobicContact CD2-CG1 3.93Å; L8-V212 PolarHBondContact O-N 3.36Å; L8-L213 HydrophobicContact CB-CB 3.88Å; L8-L213 HydrophobicContact CB-CD1 4.22Å; L8-L213 HydrophobicContact CD1-CD1 4.19Å; L8-L213 PolarHBondContact O-N 2.89Å; L8-L213 VanDerWaalsContact O-N 3.14Å |
| 9 | Q | 84.1 | Confident | 84.4 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -86.9 | -9.8 | 175 | -163.5 | 171.6 | -5.3 | 0 | 0 | 112.6 | M5 A6 Y7 P11 L213 | M5-Q9 WeakPolarHBondContact O-CB 3.46Å; M5-Q9 PolarHBondContact O-N 3.03Å; A6-Q9 PolarHBondContact O-N 3.44Å; Y7-Q9 PolarHBondContact O-N 2.89Å; Q9-P11 WeakPolarHBondContact O-CD 3.48Å; Q9-L213 HydrophobicContact CB-CD2 4.24Å |
| 10 | D | 86.2 | Confident | 84.6 | Confident | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | trans | -60.8 | 117.8 | -177.5 | -175.1 | 0.8 | 0 | 0 | 0 | 111.1 | A6 Y7 E12 L13 | A6-D10 PolarHBondContact O-N 3.48Å; Y7-D10 WeakPolarHBondContact O-CB 3.33Å; Y7-D10 PolarHBondContact O-N 3Å; Y7-D10 VanDerWaalsContact O-N 3.1Å; D10-E12 PolarHBondContact O-N 3.29Å; D10-E12 VanDerWaalsContact O-N 3.12Å; D10-E12 VanDerWaalsContact OD1-CB 3.32Å; D10-E12 WeakPolarHBondContact OD1-CB 3.41Å; D10-E12 PolarHBondContact OD1-N 3.17Å; D10-L13 HydrophobicContact CB-CG 4.43Å; D10-L13 WeakPolarHBondContact O-CB 3.28Å; D10-L13 PolarHBondContact O-N 3.49Å; D10-L13 VanDerWaalsContact O-N 3.1Å | ||
| 11 | P | 84.7 | Confident | 84.8 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -21.6 | 177.3 | 24.9 | -35.2 | 0 | 0 | 0 | 113.2 | Q9 L13 V14 A15 P141 P142 P145 V146 | Q9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-L13 VanDerWaalsContact C-N 3.26Å; P11-L13 PolarHBondContact O-N 3.33Å; P11-V14 PolarHBondContact O-N 3.46Å; P11-A15 PolarHBondContact O-N 3.18Å; P11-P141 HydrophobicContact CB-CB 4.17Å; P11-P142 HydrophobicContact CB-CG 4.13Å; P11-P142 HydrophobicContact CG-CG 3.89Å; P11-P145 HydrophobicContact CB-CG 4.15Å; P11-P145 HydrophobicContact CG-CG 4.45Å; P11-V146 HydrophobicContact CB-CG2 3.92Å; P11-V146 WeakPolarHBondContact O-CG2 3.43Å |
| 12 | E | 87.4 | Confident | 85.4 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.1 | -29.1 | 177.4 | -172.8 | 60 | -166.3 | 0 | 0 | 112.1 | D10 A15 R16 R19 | D10-E12 PolarHBondContact O-N 3.29Å; D10-E12 VanDerWaalsContact O-N 3.12Å; D10-E12 VanDerWaalsContact OD1-CB 3.32Å; D10-E12 WeakPolarHBondContact OD1-CB 3.41Å; D10-E12 PolarHBondContact OD1-N 3.17Å; E12-A15 PolarHBondContact O-N 3.43Å; E12-R16 HydrophobicContact CG-CG 4.44Å; E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.22Å; E12-R16 IonicContact OE1-NE 3.66Å; E12-R19 IonicContact OE1-CZ 2.95Å; E12-R19 IonicContact OE1-NH1 2.66Å; E12-R19 IonicContact OE1-NH2 3.51Å; E12-R19 PolarHBondContact OE1-NH2 3.48Å; E12-R19 IonicContact OE2-NH2 3.15Å |
| 13 | L | 87.9 | Confident | 85.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 172.7 | -71.3 | -179.1 | 0 | 0 | 0 | 111.7 | Y7 D10 P11 R16 F17 V212 | Y7-L13 HydrophobicContact CD1-CD1 4.1Å; Y7-L13 HydrophobicContact CE1-CD1 3.88Å; Y7-L13 HydrophobicContact CE1-CD2 4.29Å; Y7-L13 HydrophobicContact CE2-CD1 4.41Å; Y7-L13 HydrophobicContact CE2-CD2 4.01Å; Y7-L13 HydrophobicContact CG-CD1 4.47Å; Y7-L13 WeakPolarHBondContact O-CD1 3.49Å; D10-L13 HydrophobicContact CB-CG 4.43Å; D10-L13 WeakPolarHBondContact O-CB 3.28Å; D10-L13 PolarHBondContact O-N 3.49Å; D10-L13 VanDerWaalsContact O-N 3.1Å; P11-L13 VanDerWaalsContact C-N 3.26Å; P11-L13 PolarHBondContact O-N 3.33Å; L13-R16 PolarHBondContact O-N 3.45Å; L13-F17 WeakPolarHBondContact O-CB 3.4Å; L13-F17 PolarHBondContact O-N 3.18Å; L13-V212 HydrophobicContact CB-CG2 4.24Å; L13-V212 HydrophobicContact CD1-CG2 4.34Å |
| 14 | V | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | P11 R16 F17 Q18 V146 L205 | P11-V14 PolarHBondContact O-N 3.46Å; V14-R16 PolarHBondContact O-N 2.96Å; V14-F17 WeakPolarHBondContact O-CB 3.33Å; V14-F17 PolarHBondContact O-N 2.95Å; V14-Q18 WeakPolarHBondContact O-CG 3.42Å; V14-Q18 PolarHBondContact O-N 3.01Å; V14-V146 HydrophobicContact CB-CG2 3.92Å; V14-V146 HydrophobicContact CG1-CG1 3.89Å; V14-V146 HydrophobicContact CG1-CG2 4.07Å; V14-L205 WeakPolarHBondContact CG1-O 3.49Å; V14-L205 HydrophobicContact CG2-CD2 4.46Å |
| 15 | A | 86.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P11 E12 R19 P145 V146 | P11-A15 PolarHBondContact O-N 3.18Å; E12-A15 PolarHBondContact O-N 3.43Å; A15-R19 WeakPolarHBondContact O-CB 3.29Å; A15-R19 WeakPolarHBondContact O-CG 3.24Å; A15-R19 PolarHBondContact O-N 3.43Å; A15-R19 PolarHBondContact O-NE 3.23Å; A15-P145 HydrophobicContact CB-CB 4.22Å; A15-P145 HydrophobicContact CB-CG 4.32Å; A15-V146 HydrophobicContact CB-CG2 4.49Å |
| 16 | R | 89.4 | Confident | 85.7 | Confident | 132 Ų | 132 | 58.3 Ų | 58.3 | 50% | 0.498 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 172.5 | -75.5 | 174.4 | -172.6 | -175.2 | 5.8 | 111.6 | E12 L13 V14 R19 R20 | E12-R16 HydrophobicContact CG-CG 4.44Å; E12-R16 WeakPolarHBondContact O-CB 3.48Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.22Å; E12-R16 IonicContact OE1-NE 3.66Å; L13-R16 PolarHBondContact O-N 3.45Å; V14-R16 PolarHBondContact O-N 2.96Å; R16-R19 PolarHBondContact O-N 2.9Å; R16-R20 WeakPolarHBondContact O-CG 3.2Å; R16-R20 PolarHBondContact O-N 2.85Å |
| 17 | F | 89.9 | Confident | 84.7 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.2 | 179.2 | -104.7 | 0 | 0 | 0 | 111.4 | L13 V14 R19 R20 C21 F87 L202 L205 | L13-F17 WeakPolarHBondContact O-CB 3.4Å; L13-F17 PolarHBondContact O-N 3.18Å; V14-F17 WeakPolarHBondContact O-CB 3.33Å; V14-F17 PolarHBondContact O-N 2.95Å; F17-R19 PolarHBondContact O-N 2.95Å; F17-R20 WeakPolarHBondContact O-CB 3.46Å; F17-R20 PolarHBondContact O-N 3.49Å; F17-R20 VanDerWaalsContact O-N 3.16Å; F17-C21 PolarHBondContact O-N 2.97Å; F17-C21 PolarHBondContact O-SG 3.39Å; F17-C21 VanDerWaalsContact O-SG 3.35Å; F17-F87 HydrophobicContact CZ-CE1 4.4Å; F17-F87 HydrophobicContact CZ-CE2 4.45Å; F17-F87 AromaticContact CZ-CZ 3.93Å; F17-F87 HydrophobicContact CZ-CZ 3.93Å; F17-L202 HydrophobicContact CE2-CD2 4.16Å; F17-L202 HydrophobicContact CZ-CB 4.16Å; F17-L202 HydrophobicContact CZ-CD2 4.03Å; F17-L205 HydrophobicContact CD1-CB 3.71Å; F17-L205 HydrophobicContact CE1-CB 3.86Å |
| 18 | Q | 89.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55 | -48.2 | 175.4 | -74.4 | -177.6 | -31.8 | 0 | 0 | 112 | V14 R20 C21 G22 L23 V147 Y206 | V14-Q18 WeakPolarHBondContact O-CG 3.42Å; V14-Q18 PolarHBondContact O-N 3.01Å; Q18-R20 PolarHBondContact O-N 3.37Å; Q18-C21 CarbonylContact O-C 3.49Å; Q18-C21 WeakPolarHBondContact O-CA 3.32Å; Q18-C21 PolarHBondContact O-N 3.21Å; Q18-C21 VanDerWaalsContact O-N 3.1Å; Q18-G22 PolarHBondContact O-N 3.49Å; Q18-G22 VanDerWaalsContact O-N 3.15Å; Q18-L23 CarbonylContact C-O 3.59Å; Q18-L23 HydrophobicContact CB-CB 4.2Å; Q18-L23 HydrophobicContact CB-CD2 4.25Å; Q18-L23 HydrophobicContact CG-CD2 4.08Å; Q18-L23 PolarHBondContact O-N 3.09Å; Q18-V147 PolarHBondContact NE2-O 2.84Å; Q18-Y206 PolarHBondContact NE2-O 3.22Å |
| 19 | R | 89 | Confident | 80.7 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.3 | -75 | -179.3 | -71.3 | -161.2 | -0.7 | 112.6 | E12 A15 R16 F17 C21 G22 L23 Y24 | E12-R19 IonicContact OE1-CZ 2.95Å; E12-R19 IonicContact OE1-NH1 2.66Å; E12-R19 IonicContact OE1-NH2 3.51Å; E12-R19 PolarHBondContact OE1-NH2 3.48Å; E12-R19 IonicContact OE2-NH2 3.15Å; A15-R19 WeakPolarHBondContact O-CB 3.29Å; A15-R19 WeakPolarHBondContact O-CG 3.24Å; A15-R19 PolarHBondContact O-N 3.43Å; A15-R19 PolarHBondContact O-NE 3.23Å; R16-R19 PolarHBondContact O-N 2.9Å; F17-R19 PolarHBondContact O-N 2.95Å; R19-C21 VanDerWaalsContact C-N 3.27Å; R19-C21 PolarHBondContact O-N 2.94Å; R19-G22 PolarHBondContact O-N 3.23Å; R19-L23 WeakPolarHBondContact CA-O 3.34Å; R19-L23 PolarHBondContact N-O 2.85Å; R19-Y24 HydrophobicContact CB-CD1 4.49Å; R19-Y24 HydrophobicContact CB-CE1 4.06Å; R19-Y24 HydrophobicContact CG-CD1 3.85Å; R19-Y24 HydrophobicContact CG-CE1 3.87Å; R19-Y24 PolarHBondContact O-OH 3.44Å |
| 20 | R | 89.8 | Confident | 78.1 | Confident | 221 Ų | 221 | 67 Ų | 67 | 83% | 0.834 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.6 | -35.1 | 174.4 | -76.6 | -177.7 | 178.2 | -175.6 | 0.2 | 112.4 | R16 F17 Q18 G22 | R16-R20 WeakPolarHBondContact O-CG 3.2Å; R16-R20 PolarHBondContact O-N 2.85Å; F17-R20 WeakPolarHBondContact O-CB 3.46Å; F17-R20 PolarHBondContact O-N 3.49Å; F17-R20 VanDerWaalsContact O-N 3.16Å; Q18-R20 PolarHBondContact O-N 3.37Å; R20-G22 PolarHBondContact O-N 3.12Å |
| 21 | C | 87.1 | Confident | 75.6 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 5.9 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | F17 Q18 R19 L83 F87 Y206 | F17-C21 PolarHBondContact O-N 2.97Å; F17-C21 PolarHBondContact O-SG 3.39Å; F17-C21 VanDerWaalsContact O-SG 3.35Å; Q18-C21 CarbonylContact O-C 3.49Å; Q18-C21 WeakPolarHBondContact O-CA 3.32Å; Q18-C21 PolarHBondContact O-N 3.21Å; Q18-C21 VanDerWaalsContact O-N 3.1Å; R19-C21 VanDerWaalsContact C-N 3.27Å; R19-C21 PolarHBondContact O-N 2.94Å; C21-L83 HydrophobicContact CB-CD1 4.44Å; C21-F87 HydrophobicContact CB-CE2 4.08Å; C21-F87 VanDerWaalsContact SG-CE2 3.57Å; C21-Y206 HydrophobicContact CB-CD2 3.64Å; C21-Y206 HydrophobicContact CB-CE2 3.47Å; C21-Y206 VanDerWaalsContact CB-CE2 3.47Å |
| 22 | G | 84.7 | Confident | 72.9 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 18 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q18 R19 R20 V78 R79 | Q18-G22 PolarHBondContact O-N 3.49Å; Q18-G22 VanDerWaalsContact O-N 3.15Å; R19-G22 PolarHBondContact O-N 3.23Å; R20-G22 PolarHBondContact O-N 3.12Å; G22-V78 CarbonylContact O-C 3.42Å; G22-V78 WeakPolarHBondContact O-CA 3.47Å; G22-R79 PolarHBondContact O-N 3.24Å |
| 23 | L | 87.1 | Confident | 70.3 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.6 | 173.4 | -175.2 | 69 | 0 | 0 | 0 | 109.7 | Q18 R19 Y76 V78 V147 L149 Y206 | Q18-L23 CarbonylContact C-O 3.59Å; Q18-L23 HydrophobicContact CB-CB 4.2Å; Q18-L23 HydrophobicContact CB-CD2 4.25Å; Q18-L23 HydrophobicContact CG-CD2 4.08Å; Q18-L23 PolarHBondContact O-N 3.09Å; R19-L23 WeakPolarHBondContact CA-O 3.34Å; R19-L23 PolarHBondContact N-O 2.85Å; L23-Y76 HydrophobicContact CD1-CD2 3.61Å; L23-Y76 HydrophobicContact CD1-CE2 4.38Å; L23-Y76 HydrophobicContact CD1-CG 4.15Å; L23-V78 HydrophobicContact CD1-CG2 3.92Å; L23-V147 HydrophobicContact CD2-CB 4.14Å; L23-V147 HydrophobicContact CD2-CG1 4.26Å; L23-L149 HydrophobicContact CD2-CD1 4.05Å; L23-L149 HydrophobicContact CD2-CG 4.37Å; L23-Y206 HydrophobicContact CB-CE2 3.94Å; L23-Y206 HydrophobicContact CD2-CE1 4.42Å; L23-Y206 HydrophobicContact CD2-CE2 4.33Å |
| 24 | Y | 84.3 | Confident | 67.7 | Low | 78 Ų | 78 | 77.7 Ų | 77.7 | 31% | 0.306 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.4 | -179.9 | -63.4 | -93.9 | 0 | 0 | 0 | 110.1 | R19 Y76 E77 R79 | R19-Y24 HydrophobicContact CB-CD1 4.49Å; R19-Y24 HydrophobicContact CB-CE1 4.06Å; R19-Y24 HydrophobicContact CG-CD1 3.85Å; R19-Y24 HydrophobicContact CG-CE1 3.87Å; R19-Y24 PolarHBondContact O-OH 3.44Å; Y24-Y76 CarbonylContact O-C 3.5Å; Y24-Y76 VanDerWaalsContact O-CA 3.23Å; Y24-Y76 WeakPolarHBondContact O-CA 3.31Å; Y24-Y76 WeakPolarHBondContact O-CB 3.43Å; Y24-E77 PolarHBondContact N-O 3.33Å; Y24-E77 PolarHBondContact O-N 3.11Å; Y24-R79 HydrophobicContact CD2-CG 4.04Å; Y24-R79 HydrophobicContact CE2-CB 4.3Å; Y24-R79 HydrophobicContact CE2-CG 3.96Å |
| 25 | R | 76.9 | Confident | 64.8 | Low | 91 Ų | 91 | 89 Ų | 89 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 129.6 | 169.9 | -174.3 | 176.9 | 171.8 | 139.9 | -3.6 | 108.8 | E27 S143 P144 V147 | R25-E27 PolarHBondContact O-N 3.36Å; R25-S143 PolarHBondContact NH1-OG 3.28Å; R25-P144 VanDerWaalsContact NH1-CB 3.27Å; R25-V147 HydrophobicContact CB-CG2 3.69Å; R25-V147 HydrophobicContact CG-CG2 4.22Å |
| 26 | V | 77.4 | Confident | 62 | Low | 55 Ų | 55 | 94 Ų | 94 | 33% | 0.333 | 51% | 0.512 | S | S | . | . | trans | -85.9 | 108.9 | 166.8 | -177.2 | 0 | 0 | 0 | 0 | 106.2 | G28 Q75 E77 | V26-G28 PolarHBondContact O-N 3.03Å; V26-G28 VanDerWaalsContact O-N 3.13Å; V26-Q75 HydrophobicContact CB-CB 3.82Å; V26-Q75 WeakPolarHBondContact CB-O 3.46Å; V26-Q75 HydrophobicContact CG1-CB 4.32Å; V26-Q75 HydrophobicContact CG2-CB 4.43Å; V26-Q75 PolarHBondContact N-O 3.4Å; V26-E77 HydrophobicContact CG2-CB 3.95Å | ||
| 27 | E | 61.9 | Low | 58.9 | Low | 168 Ų | 168 | 99.4 Ų | 99.4 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | trans | -64.7 | 114.3 | 168.9 | -76.1 | -179.2 | 170.4 | 0 | 0 | 108 | R25 S29 | R25-E27 PolarHBondContact O-N 3.36Å; E27-S29 PolarHBondContact O-N 2.9Å | ||
| 28 | G | 50.8 | Low | 55.9 | Low | 57 Ų | 57 | 103.1 Ų | 103.1 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | trans | -54.7 | 125 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V26 N30 | V26-G28 PolarHBondContact O-N 3.03Å; V26-G28 VanDerWaalsContact O-N 3.13Å; G28-N30 PolarHBondContact O-N 3.45Å | ||
| 29 | S | 32.2 | Very low | 53.2 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 78% | 0.783 | 59% | 0.592 | S | S | * | * | trans | -33.5 | 120.6 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | E27 | E27-S29 PolarHBondContact O-N 2.9Š| ||
| 30 | N | 30.8 | Very low | 50.2 | Low | 152 Ų | 152 | 110 Ų | 110 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | trans | -42.2 | 127.4 | 163.2 | -96.1 | -19.4 | 0 | 0 | 0 | 109.1 | G28 G32 | G28-N30 PolarHBondContact O-N 3.45Å; N30-G32 PolarHBondContact O-N 3.36Å | ||
| 31 | P | 31.8 | Very low | 47.1 | Very low | 126 Ų | 126 | 103 Ų | 103 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | trans | -67.7 | 97.2 | 157.2 | 25.3 | -20.9 | 0 | 0 | 0 | 105.6 | ||||
| 32 | G | 29.3 | Very low | 44.2 | Very low | 53 Ų | 53 | 107.2 Ų | 107.2 | 55% | 0.546 | 65% | 0.649 | S | S | . | * | trans | -52.9 | 151.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N30 G34 | N30-G32 PolarHBondContact O-N 3.36Å; G32-G34 PolarHBondContact O-N 3.01Å | ||
| 33 | P | 31.9 | Very low | 41.5 | Very low | 131 Ų | 131 | 112.8 Ų | 112.8 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -60.7 | 138.2 | -170.6 | 27 | -32.6 | 0 | 0 | 0 | 109.8 | R35 | P33-R35 PolarHBondContact O-N 3.43Š|
| 34 | G | 34.6 | Very low | 38.7 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -44.3 | 130 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | G32 | G32-G34 PolarHBondContact O-N 3.01Š| ||
| 35 | R | 26.6 | Very low | 36.1 | Very low | 238 Ų | 238 | 123.2 Ų | 123.2 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -131.4 | 121.7 | 154.3 | -94.3 | 179.8 | 174.2 | 175.2 | -2 | 109.2 | P33 | P33-R35 PolarHBondContact O-N 3.43Š| ||
| 36 | S | 27.1 | Very low | 33.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -30.6 | 132.6 | 170.4 | 31.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 37 | R | 24.5 | Very low | 31.2 | Very low | 245 Ų | 245 | 136.4 Ų | 136.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -57.5 | 149 | 158.9 | -74.7 | 176.7 | 165.8 | 176.2 | -4.8 | 109.9 | ||||
| 38 | P | 27.2 | Very low | 29.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -120.8 | 151.8 | 122.2 | 29 | -18.3 | 0 | 0 | 0 | 111.4 | |||||
| 39 | A | 31.2 | Very low | 28.4 | Very low | 82 Ų | 82 | 141 Ų | 141 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -72.1 | 140.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 40 | N | 26.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | 153.6 | 137.2 | 131.9 | -81.1 | -15.2 | 0 | 0 | 0 | 112.3 | ||||
| 41 | G | 25.7 | Very low | 28.3 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 108.1 | 103.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 42 | A | 25.8 | Very low | 28.3 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | 74.5 | 141.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 43 | P | 28.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | trans | -88.9 | 123.4 | -175.3 | 34.5 | -28.6 | 0 | 0 | 0 | 111.2 | ||||
| 44 | I | 27.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 80% | 0.795 | 83% | 0.829 | S | S | * | * | trans | -108.3 | 116.2 | 167.2 | -62.1 | 177.2 | 0 | 0 | 0 | 107.8 | R46 | I44-R46 PolarHBondContact O-N 3.05Å; I44-R46 VanDerWaalsContact O-N 3.15Å | ||
| 45 | T | 30 | Very low | 28.3 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -52.2 | 109.1 | 172.4 | -33.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | R | 27 | Very low | 28.3 | Very low | 235 Ų | 235 | 144.5 Ų | 144.5 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 120.7 | 170.2 | -94.8 | -176.6 | 173.5 | 177.3 | -1.4 | 109.7 | I44 | I44-R46 PolarHBondContact O-N 3.05Å; I44-R46 VanDerWaalsContact O-N 3.15Å |
| 47 | E | 25.5 | Very low | 28.5 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 134.6 | 170.7 | -67.5 | 175.8 | 137 | 0 | 0 | 111.3 | ||
| 48 | K | 24.5 | Very low | 28.8 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.8 | 172.1 | -78.2 | 176.9 | 173.8 | 177.9 | 0 | 109.5 | R50 | K48-R50 PolarHBondContact O-N 3.39Š|
| 49 | P | 28.7 | Very low | 29.1 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 125.2 | 161.7 | -10.9 | 26.1 | 0 | 0 | 0 | 108.4 | ||
| 50 | R | 30.2 | Very low | 29.6 | Very low | 253 Ų | 253 | 150.7 Ų | 150.7 | 96% | 0.955 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -57.3 | 133 | 174.1 | -81.8 | 173.2 | 166.1 | 172.1 | -4.4 | 110.6 | K48 | K48-R50 PolarHBondContact O-N 3.39Š|
| 51 | G | 30.9 | Very low | 30.2 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 104.5 | 39.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | L53 | G51-L53 PolarHBondContact O-N 3.25Š| ||
| 52 | Q | 30.7 | Very low | 31.2 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -81 | 85.9 | 161.4 | -126.9 | 176.9 | -13.5 | 0 | 0 | 108.5 | E54 | Q52-E54 PolarHBondContact O-N 2.91Š| ||
| 53 | L | 34.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | -82.9 | 92.7 | 163.2 | -95.9 | 147.7 | 0 | 0 | 0 | 106.7 | G51 G55 | G51-L53 PolarHBondContact O-N 3.25Å; L53-G55 PolarHBondContact O-N 3.02Å | ||
| 54 | E | 31.7 | Very low | 33.3 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -53.5 | 105.9 | 159.1 | -74.3 | -174.9 | 145.7 | 0 | 0 | 107 | Q52 S56 | Q52-E54 PolarHBondContact O-N 2.91Å; E54-S56 PolarHBondContact O-N 3.44Å | ||
| 55 | G | 30.7 | Very low | 34.6 | Very low | 49 Ų | 49 | 130.1 Ų | 130.1 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | trans | -65.3 | 83.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L53 W57 | L53-G55 PolarHBondContact O-N 3.02Å; G55-W57 PolarHBondContact O-N 3.39Å | ||
| 56 | S | 27.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | trans | -70.3 | 64.3 | 170.9 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | E54 | E54-S56 PolarHBondContact O-N 3.44Š| ||
| 57 | W | 30.5 | Very low | 36.5 | Very low | 214 Ų | 214 | 122.8 Ų | 122.8 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | trans | -121.2 | 11 | 170.3 | -65.2 | 101.9 | 0 | 0 | 0 | 112.8 | G55 R59 | G55-W57 PolarHBondContact O-N 3.39Å; W57-R59 PolarHBondContact O-N 3.43Å | ||
| 58 | D | 31.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | trans | -70.4 | 8.9 | 167.2 | -80.5 | -25.6 | 0 | 0 | 0 | 112.5 | Q60 K73 | D58-Q60 PolarHBondContact O-N 2.9Å; D58-Q60 VanDerWaalsContact O-N 3.09Å; D58-K73 IonicContact OD2-NZ 2.7Å; D58-K73 PolarHBondContact OD2-NZ 3.13Å | ||
| 59 | R | 32.9 | Very low | 38.4 | Very low | 208 Ų | 208 | 117.9 Ų | 117.9 | 79% | 0.785 | 59% | 0.593 | S | S | * | * | trans | -75.5 | 103.1 | 170.5 | -102.7 | -174.4 | -167.7 | 174 | 4.8 | 109.9 | W57 | W57-R59 PolarHBondContact O-N 3.43Š| ||
| 60 | Q | 41.1 | Very low | 38.8 | Very low | 144 Ų | 144 | 119.9 Ų | 119.9 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | 105.8 | 84.2 | 115.6 | -153.3 | 153.4 | 2.4 | 0 | 0 | 115.3 | D58 | D58-Q60 PolarHBondContact O-N 2.9Å; D58-Q60 VanDerWaalsContact O-N 3.09Å | |||
| 61 | D | 40.3 | Very low | 39.2 | Very low | 38 Ų | 38 | 112.1 Ų | 112.1 | 20% | 0.203 | 58% | 0.58 | C | S | . | * | trans | -135.7 | 90.1 | 151.4 | -121.9 | -10.8 | 0 | 0 | 0 | 108.9 | N63 R152 | D61-N63 PolarHBondContact O-N 2.89Å; D61-R152 IonicContact OD2-CZ 2.64Å; D61-R152 IonicContact OD2-NH1 3.94Å; D61-R152 PolarHBondContact OD2-NH1 3.05Å; D61-R152 IonicContact OD2-NH2 3.91Å | ||
| 62 | S | 45 | Very low | 40.1 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 22.9 | 179.6 | -51.4 | 0 | 0 | 0 | 0 | 113.5 | R338 | S62-R338 PolarHBondContact O-NH1 3.4Å; S62-R338 PolarHBondContact O-NH2 2.81Å |
| 63 | N | 48.5 | Very low | 41.1 | Very low | 3 Ų | 3 | 117.1 Ų | 117.1 | 2% | 0.016 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -106.7 | -20.9 | -172.4 | -158.2 | 36.3 | 0 | 0 | 0 | 114.2 | D61 E96 R334 R338 Y373 | D61-N63 PolarHBondContact O-N 2.89Å; N63-E96 PolarHBondContact ND2-OE2 3.4Å; N63-R334 VanDerWaalsContact CB-NH2 3.32Å; N63-R334 PolarHBondContact ND2-NH2 3.49Å; N63-R338 PolarHBondContact OD1-NH1 2.79Å; N63-Y373 PolarHBondContact ND2-OH 3.01Å |
| 64 | S | 51.3 | Low | 42.2 | Very low | 31 Ų | 31 | 112.3 Ų | 112.3 | 22% | 0.217 | 56% | 0.556 | C | S | . | * | trans | -77.7 | 130.4 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | Y66 | S64-Y66 PolarHBondContact O-N 3.3Š| ||
| 65 | N | 54.4 | Low | 44.1 | Very low | 21 Ų | 21 | 110.1 Ų | 110.1 | 11% | 0.112 | 55% | 0.546 | C | S | . | . | trans | -83.6 | 6.8 | 170.4 | -58.2 | -40.6 | 0 | 0 | 0 | 112.1 | Y267 R359 R360 E365 | N65-Y267 HydrophobicContact CB-CE1 4.23Å; N65-Y267 WeakPolarHBondContact CB-OH 3.42Å; N65-R359 PolarHBondContact ND2-O 2.73Å; N65-R359 WeakPolarHBondContact OD1-CD 3.22Å; N65-R359 PolarHBondContact OD1-NE 2.87Å; N65-R359 PolarHBondContact OD1-NH1 2.86Å; N65-R360 HydrophobicContact CB-CG 4.18Å; N65-R360 PolarHBondContact O-NE 3.34Å; N65-R360 PolarHBondContact O-NH2 2.88Å; N65-E365 PolarHBondContact ND2-OE1 2.89Å | ||
| 66 | Y | 49.3 | Very low | 46.5 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 36% | 0.361 | 54% | 0.541 | S | S | . | . | trans | -85.8 | 128 | 176.9 | -158.8 | -92.2 | 0 | 0 | 0 | 109.9 | S64 A155 Y267 | S64-Y66 PolarHBondContact O-N 3.3Å; Y66-A155 HydrophobicContact CE2-CB 3.83Å; Y66-Y267 HydrophobicContact CD2-CD1 4.19Å; Y66-Y267 HydrophobicContact CD2-CE1 4.44Å | ||
| 67 | Q | 47.7 | Very low | 49.2 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | trans | -118.6 | 122.1 | 179.1 | -164.2 | 171.1 | -9 | 0 | 0 | 107.5 | ||||
| 68 | Y | 48.2 | Very low | 51.9 | Low | 104 Ų | 104 | 103 Ų | 103 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | trans | -71 | 144.8 | -176.8 | -174.7 | -104.9 | 0 | 0 | 0 | 111.5 | C71 | Y68-C71 WeakPolarHBondContact OH-CB 3.43Å; Y68-C71 PolarHBondContact OH-N 2.72Å; Y68-C71 PolarHBondContact OH-O 2.92Å | ||
| 69 | Q | 41.6 | Very low | 54.5 | Low | 178 Ų | 178 | 104.7 Ų | 104.7 | 83% | 0.832 | 49% | 0.492 | S | S | * | . | trans | -104.6 | 118.8 | 172.3 | -162.3 | 164.8 | 1.6 | 0 | 0 | 107.7 | C71 | Q69-C71 PolarHBondContact O-N 2.91Š| ||
| 70 | D | 36.2 | Very low | 57.2 | Low | 167 Ų | 167 | 97.6 Ų | 97.6 | 89% | 0.893 | 47% | 0.47 | S | S | * | . | trans | -50.1 | 100.5 | -170.9 | -93.4 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 71 | C | 39.8 | Very low | 59.5 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | trans | -110.5 | 130.8 | 163.3 | -140.6 | 0 | 0 | 0 | 0 | 108.1 | Y68 Q69 K73 | Y68-C71 WeakPolarHBondContact OH-CB 3.43Å; Y68-C71 PolarHBondContact OH-N 2.72Å; Y68-C71 PolarHBondContact OH-O 2.92Å; Q69-C71 PolarHBondContact O-N 2.91Å; C71-K73 PolarHBondContact O-N 3.46Å; C71-K73 VanDerWaalsContact O-N 3.1Å | ||
| 72 | K | 48.3 | Very low | 61.9 | Low | 207 Ų | 207 | 103.2 Ų | 103.2 | 90% | 0.9 | 49% | 0.493 | S | S | * | . | trans | -44.9 | 116.2 | -171.7 | -69.1 | 175.5 | 177.9 | 176.5 | 0 | 111.3 | ||||
| 73 | K | 53.4 | Low | 64 | Low | 148 Ų | 148 | 101.4 Ų | 101.4 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 125.1 | 177.7 | -70.6 | -173.6 | 175.4 | -170.2 | 0 | 109 | D58 C71 Q75 | D58-K73 IonicContact OD2-NZ 2.7Å; D58-K73 PolarHBondContact OD2-NZ 3.13Å; C71-K73 PolarHBondContact O-N 3.46Å; C71-K73 VanDerWaalsContact O-N 3.1Å; K73-Q75 PolarHBondContact O-N 2.97Å |
| 74 | P | 56.2 | Low | 65.9 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 31% | 0.305 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 127.6 | 176.2 | 24.2 | -31.1 | 0 | 0 | 0 | 108.9 | Y76 | P74-Y76 PolarHBondContact O-N 3.44Š|
| 75 | Q | 72.3 | Confident | 67.8 | Low | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 131.7 | 173 | -74.6 | 178.5 | -15.3 | 0 | 0 | 108.6 | V26 K73 | V26-Q75 HydrophobicContact CB-CB 3.82Å; V26-Q75 WeakPolarHBondContact CB-O 3.46Å; V26-Q75 HydrophobicContact CG1-CB 4.32Å; V26-Q75 HydrophobicContact CG2-CB 4.43Å; V26-Q75 PolarHBondContact N-O 3.4Å; K73-Q75 PolarHBondContact O-N 2.97Å |
| 76 | Y | 80.4 | Confident | 69.6 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148.1 | 177.8 | 61.7 | -92.4 | 0 | 0 | 0 | 109.9 | L23 Y24 P74 V78 V147 L149 | L23-Y76 HydrophobicContact CD1-CD2 3.61Å; L23-Y76 HydrophobicContact CD1-CE2 4.38Å; L23-Y76 HydrophobicContact CD1-CG 4.15Å; Y24-Y76 CarbonylContact O-C 3.5Å; Y24-Y76 VanDerWaalsContact O-CA 3.23Å; Y24-Y76 WeakPolarHBondContact O-CA 3.31Å; Y24-Y76 WeakPolarHBondContact O-CB 3.43Å; P74-Y76 PolarHBondContact O-N 3.44Å; Y76-V78 HydrophobicContact CD2-CG2 3.76Å; Y76-V78 HydrophobicContact CE2-CG2 3.75Å; Y76-V147 HydrophobicContact CD1-CG1 4.27Å; Y76-V147 HydrophobicContact CG-CG1 4.21Å; Y76-L149 HydrophobicContact CD1-CD2 4.21Å; Y76-L149 HydrophobicContact CD2-CD2 4.43Å; Y76-L149 HydrophobicContact CE1-CD2 3.94Å; Y76-L149 HydrophobicContact CE2-CD2 4.18Å; Y76-L149 HydrophobicContact CG-CD2 4.46Å |
| 77 | E | 84.8 | Confident | 71.6 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | 176.6 | -173.8 | -171.7 | 143.2 | 0 | 0 | 108.6 | Y24 V26 R79 | Y24-E77 PolarHBondContact N-O 3.33Å; Y24-E77 PolarHBondContact O-N 3.11Å; V26-E77 HydrophobicContact CG2-CB 3.95Å; E77-R79 IonicContact OE1-CZ 2.68Å; E77-R79 IonicContact OE1-NE 2.64Å; E77-R79 PolarHBondContact OE1-NE 2.78Å; E77-R79 VanDerWaalsContact OE1-NE 3.11Å; E77-R79 IonicContact OE1-NH2 3.98Å |
| 78 | V | 88 | Confident | 73.5 | Confident | 19 Ų | 19 | 103 Ų | 103 | 12% | 0.115 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | G22 L23 Y76 W81 H84 | G22-V78 CarbonylContact O-C 3.42Å; G22-V78 WeakPolarHBondContact O-CA 3.47Å; L23-V78 HydrophobicContact CD1-CG2 3.92Å; Y76-V78 HydrophobicContact CD2-CG2 3.76Å; Y76-V78 HydrophobicContact CE2-CG2 3.75Å; V78-W81 HydrophobicContact CB-CZ2 4.22Å; V78-W81 HydrophobicContact CG1-CD2 4.07Å; V78-W81 HydrophobicContact CG1-CE3 4.34Å; V78-W81 HydrophobicContact CG1-CG 4.36Å; V78-W81 PolarHBondContact O-NE1 3.01Å; V78-H84 HydrophobicContact CG1-CB 3.62Å |
| 79 | R | 85.9 | Confident | 75.5 | Confident | 163 Ų | 163 | 104 Ų | 104 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -92 | -33.8 | 175.1 | -68.1 | -167.6 | 171 | -178.9 | -8.8 | 113.2 | G22 Y24 E77 | G22-R79 PolarHBondContact O-N 3.24Å; Y24-R79 HydrophobicContact CD2-CG 4.04Å; Y24-R79 HydrophobicContact CE2-CB 4.3Å; Y24-R79 HydrophobicContact CE2-CG 3.96Å; E77-R79 IonicContact OE1-CZ 2.68Å; E77-R79 IonicContact OE1-NE 2.64Å; E77-R79 PolarHBondContact OE1-NE 2.78Å; E77-R79 VanDerWaalsContact OE1-NE 3.11Å; E77-R79 IonicContact OE1-NH2 3.98Å |
| 80 | N | 89.5 | Confident | 77.8 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | trans | -112.7 | 95.3 | 178.9 | -169.9 | -20 | 0 | 0 | 0 | 111.3 | L82 L83 H84 | N80-L82 PolarHBondContact OD1-N 2.9Å; N80-L83 VanDerWaalsContact ND2-CD1 3.33Å; N80-L83 WeakPolarHBondContact ND2-CD1 3.35Å; N80-L83 PolarHBondContact OD1-N 2.91Å; N80-H84 WeakPolarHBondContact O-CB 3.45Å; N80-H84 PolarHBondContact O-N 3.4Å; N80-H84 VanDerWaalsContact O-N 3.09Å | ||
| 81 | W | 88.3 | Confident | 80.2 | Confident | 150 Ų | 150 | 87.6 Ų | 87.6 | 57% | 0.568 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.7 | -30.7 | -177.1 | -76.7 | 96.6 | 0 | 0 | 0 | 114.2 | V78 H84 F85 | V78-W81 HydrophobicContact CB-CZ2 4.22Å; V78-W81 HydrophobicContact CG1-CD2 4.07Å; V78-W81 HydrophobicContact CG1-CE3 4.34Å; V78-W81 HydrophobicContact CG1-CG 4.36Å; V78-W81 PolarHBondContact O-NE1 3.01Å; W81-H84 PolarHBondContact O-N 3.39Å; W81-F85 WeakPolarHBondContact O-CB 3.34Å; W81-F85 PolarHBondContact O-N 3.42Å |
| 82 | L | 91.2 | Very high | 82.4 | Confident | 149 Ų | 149 | 84.6 Ų | 84.6 | 78% | 0.78 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.4 | -49.2 | 179.5 | -70.2 | 173.3 | 0 | 0 | 0 | 111.1 | N80 H84 F85 L86 | N80-L82 PolarHBondContact OD1-N 2.9Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-F85 PolarHBondContact O-N 3.39Å; L82-L86 WeakPolarHBondContact O-CB 3.44Å; L82-L86 PolarHBondContact O-N 3.03Å |
| 83 | L | 88.7 | Confident | 84.2 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.1 | -70.2 | -179.1 | 0 | 0 | 0 | 111.7 | C21 N80 F85 L86 F87 | C21-L83 HydrophobicContact CB-CD1 4.44Å; N80-L83 VanDerWaalsContact ND2-CD1 3.33Å; N80-L83 WeakPolarHBondContact ND2-CD1 3.35Å; N80-L83 PolarHBondContact OD1-N 2.91Å; L83-F85 PolarHBondContact O-N 3.47Å; L83-L86 HydrophobicContact CD2-CD2 4.27Å; L83-L86 PolarHBondContact O-N 2.77Å; L83-F87 HydrophobicContact CB-CD2 4.29Å; L83-F87 HydrophobicContact CB-CE2 4.14Å; L83-F87 HydrophobicContact CD2-CE2 4.35Å; L83-F87 WeakPolarHBondContact O-CB 3.44Å; L83-F87 WeakPolarHBondContact O-CD2 3Å; L83-F87 PolarHBondContact O-N 3.47Å |
| 84 | H | 89.1 | Confident | 85.5 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.1 | -49.6 | 175.5 | -175.9 | 72.5 | 0 | 0 | 0 | 111.7 | V78 N80 W81 L82 L88 Y206 | V78-H84 HydrophobicContact CG1-CB 3.62Å; N80-H84 WeakPolarHBondContact O-CB 3.45Å; N80-H84 PolarHBondContact O-N 3.4Å; N80-H84 VanDerWaalsContact O-N 3.09Å; W81-H84 PolarHBondContact O-N 3.39Å; L82-H84 VanDerWaalsContact C-N 3.33Å; H84-L88 VanDerWaalsContact O-CB 3.3Å; H84-L88 WeakPolarHBondContact O-CB 3.4Å; H84-L88 PolarHBondContact O-N 3.17Å; H84-Y206 WeakPolarHBondContact CA-OH 3.31Å; H84-Y206 WeakPolarHBondContact CB-OH 3.39Å; H84-Y206 AromaticContact ND1-CE1 3.55Å; H84-Y206 AromaticContact ND1-CZ 3.6Å; H84-Y206 PolarHBondContact ND1-OH 2.95Å |
| 85 | F | 89.8 | Confident | 86.8 | Confident | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 177.5 | -174.9 | -97.3 | 0 | 0 | 0 | 112 | W81 L82 L83 F87 L88 F89 | W81-F85 WeakPolarHBondContact O-CB 3.34Å; W81-F85 PolarHBondContact O-N 3.42Å; L82-F85 PolarHBondContact O-N 3.39Å; L83-F85 PolarHBondContact O-N 3.47Å; F85-F87 PolarHBondContact O-N 3Å; F85-L88 PolarHBondContact O-N 3.12Å; F85-F89 VanDerWaalsContact O-CB 3.25Å; F85-F89 WeakPolarHBondContact O-CB 3.49Å; F85-F89 PolarHBondContact O-N 2.92Å |
| 86 | L | 92.3 | Very high | 87.2 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 177.9 | -177.4 | 73 | 0 | 0 | 0 | 111.9 | L82 L83 S90 L199 | L82-L86 WeakPolarHBondContact O-CB 3.44Å; L82-L86 PolarHBondContact O-N 3.03Å; L83-L86 HydrophobicContact CD2-CD2 4.27Å; L83-L86 PolarHBondContact O-N 2.77Å; L86-S90 WeakPolarHBondContact O-CB 3.33Å; L86-S90 PolarHBondContact O-N 3.08Å; L86-L199 HydrophobicContact CD1-CD1 4.3Å; L86-L199 HydrophobicContact CD2-CD1 3.98Å; L86-L199 HydrophobicContact CG-CD1 4.04Å |
| 87 | F | 91.2 | Very high | 87.3 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.6 | -35.7 | -180 | -71.8 | -54.1 | 0 | 0 | 0 | 112.5 | F17 C21 L83 F85 S90 A91 L202 S203 Y206 | F17-F87 HydrophobicContact CZ-CE1 4.4Å; F17-F87 HydrophobicContact CZ-CE2 4.45Å; F17-F87 AromaticContact CZ-CZ 3.93Å; F17-F87 HydrophobicContact CZ-CZ 3.93Å; C21-F87 HydrophobicContact CB-CE2 4.08Å; C21-F87 VanDerWaalsContact SG-CE2 3.57Å; L83-F87 HydrophobicContact CB-CD2 4.29Å; L83-F87 HydrophobicContact CB-CE2 4.14Å; L83-F87 HydrophobicContact CD2-CE2 4.35Å; L83-F87 WeakPolarHBondContact O-CB 3.44Å; L83-F87 WeakPolarHBondContact O-CD2 3Å; L83-F87 PolarHBondContact O-N 3.47Å; F85-F87 PolarHBondContact O-N 3Å; F87-S90 PolarHBondContact O-N 3.2Å; F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.32Å; F87-L202 HydrophobicContact CE1-CB 3.8Å; F87-S203 VanDerWaalsContact O-CB 3.29Å; F87-S203 WeakPolarHBondContact O-CB 3.34Å; F87-Y206 HydrophobicContact CB-CD1 3.41Å; F87-Y206 VanDerWaalsContact CB-CD1 3.41Å; F87-Y206 HydrophobicContact CB-CD2 4.37Å; F87-Y206 HydrophobicContact CB-CE1 4.04Å; F87-Y206 HydrophobicContact CB-CG 3.6Å; F87-Y206 HydrophobicContact CD2-CD1 4.09Å; F87-Y206 AromaticContact CD2-CD2 3.47Å; F87-Y206 HydrophobicContact CD2-CD2 3.47Å; F87-Y206 VanDerWaalsContact CD2-CD2 3.47Å; F87-Y206 HydrophobicContact CD2-CE1 4.49Å; F87-Y206 AromaticContact CD2-CE2 3.95Å; F87-Y206 HydrophobicContact CD2-CE2 3.95Å; F87-Y206 AromaticContact CD2-CG 3.55Å; F87-Y206 HydrophobicContact CD2-CG 3.55Å; F87-Y206 HydrophobicContact CE2-CD2 4.04Å; F87-Y206 HydrophobicContact CE2-CG 4.41Å; F87-Y206 HydrophobicContact CG-CD1 4.05Å; F87-Y206 HydrophobicContact CG-CD2 4.12Å; F87-Y206 AromaticContact CG-CG 3.7Å; F87-Y206 HydrophobicContact CG-CG 3.7Å |
| 88 | L | 89 | Confident | 87.3 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.2 | -169.8 | 64.2 | 0 | 0 | 0 | 111.5 | H84 F85 S90 A91 G92 | H84-L88 VanDerWaalsContact O-CB 3.3Å; H84-L88 WeakPolarHBondContact O-CB 3.4Å; H84-L88 PolarHBondContact O-N 3.17Å; F85-L88 PolarHBondContact O-N 3.12Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.41Å; L88-A91 PolarHBondContact O-N 3.36Å; L88-G92 PolarHBondContact O-N 3.48Å |
| 89 | F | 89.9 | Confident | 87.3 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 172.9 | 177.3 | -99.8 | 0 | 0 | 0 | 111.3 | F85 G92 L93 | F85-F89 VanDerWaalsContact O-CB 3.25Å; F85-F89 WeakPolarHBondContact O-CB 3.49Å; F85-F89 PolarHBondContact O-N 2.92Å; F89-G92 VanDerWaalsContact O-CA 3.22Å; F89-G92 WeakPolarHBondContact O-CA 3.41Å; F89-G92 PolarHBondContact O-N 2.69Å; F89-L93 HydrophobicContact CE1-CD1 4.4Å; F89-L93 HydrophobicContact CE1-CD2 4.05Å; F89-L93 HydrophobicContact CE1-CG 4.45Å; F89-L93 HydrophobicContact CZ-CD2 4.12Å; F89-L93 PolarHBondContact O-N 3.45Å |
| 90 | S | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -39 | 177 | 177.3 | 0 | 0 | 0 | 0 | 113.2 | L86 F87 L88 G92 L93 L199 V200 S203 | L86-S90 WeakPolarHBondContact O-CB 3.33Å; L86-S90 PolarHBondContact O-N 3.08Å; F87-S90 PolarHBondContact O-N 3.2Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.41Å; S90-G92 PolarHBondContact O-N 3.03Å; S90-L93 WeakPolarHBondContact O-CB 3.3Å; S90-L93 PolarHBondContact O-N 2.96Å; S90-L93 VanDerWaalsContact O-N 3.1Å; S90-L199 WeakPolarHBondContact OG-CG 3.27Å; S90-L199 PolarHBondContact OG-O 3.32Å; S90-V200 VanDerWaalsContact OG-CA 3.28Å; S90-V200 WeakPolarHBondContact OG-CA 3.31Å; S90-V200 PolarHBondContact OG-N 3.36Å; S90-S203 WeakPolarHBondContact OG-CB 3.48Å; S90-S203 PolarHBondContact OG-OG 3.1Å |
| 91 | A | 87.1 | Confident | 87 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F87 L88 L93 G94 S203 T207 | F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.32Å; L88-A91 PolarHBondContact O-N 3.36Å; A91-L93 PolarHBondContact O-N 2.94Å; A91-G94 PolarHBondContact O-N 3.35Å; A91-S203 WeakPolarHBondContact CA-OG 3.39Å; A91-S203 PolarHBondContact N-OG 3.39Å; A91-T207 HydrophobicContact CB-CG2 3.96Å |
| 92 | G | 85.4 | Confident | 87.1 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -47 | -41.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L88 F89 S90 G94 H95 | L88-G92 PolarHBondContact O-N 3.48Å; F89-G92 VanDerWaalsContact O-CA 3.22Å; F89-G92 WeakPolarHBondContact O-CA 3.41Å; F89-G92 PolarHBondContact O-N 2.69Å; S90-G92 PolarHBondContact O-N 3.03Å; G92-G94 PolarHBondContact O-N 3.45Å; G92-H95 PolarHBondContact O-N 3.3Å |
| 93 | L | 85.6 | Confident | 87.1 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.6 | -179.2 | -52.9 | 176.1 | 0 | 0 | 0 | 113.3 | F89 S90 A91 F98 V200 | F89-L93 HydrophobicContact CE1-CD1 4.4Å; F89-L93 HydrophobicContact CE1-CD2 4.05Å; F89-L93 HydrophobicContact CE1-CG 4.45Å; F89-L93 HydrophobicContact CZ-CD2 4.12Å; F89-L93 PolarHBondContact O-N 3.45Å; S90-L93 WeakPolarHBondContact O-CB 3.3Å; S90-L93 PolarHBondContact O-N 2.96Å; S90-L93 VanDerWaalsContact O-N 3.1Å; A91-L93 PolarHBondContact O-N 2.94Å; L93-F98 HydrophobicContact CB-CD1 4.4Å; L93-F98 HydrophobicContact CB-CD2 4.4Å; L93-F98 HydrophobicContact CB-CE1 4.41Å; L93-F98 HydrophobicContact CB-CE2 4.44Å; L93-F98 HydrophobicContact CB-CG 4.37Å; L93-F98 HydrophobicContact CB-CZ 4.42Å; L93-F98 HydrophobicContact CD2-CD2 3.6Å; L93-F98 HydrophobicContact CD2-CE2 3.38Å; L93-F98 HydrophobicContact CD2-CG 4.37Å; L93-F98 HydrophobicContact CD2-CZ 3.99Å; L93-F98 HydrophobicContact CG-CE2 4.48Å; L93-F98 WeakPolarHBondContact O-CD1 3.22Å; L93-F98 WeakPolarHBondContact O-CG 3.38Å; L93-V200 HydrophobicContact CB-CG2 4.02Å; L93-V200 HydrophobicContact CD1-CG2 4.16Å |
| 94 | G | 81.2 | Confident | 87.1 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A91 G92 Y99 H163 | A91-G94 PolarHBondContact O-N 3.35Å; G92-G94 PolarHBondContact O-N 3.45Å; G94-Y99 WeakPolarHBondContact O-CE2 3.41Å; G94-Y99 PolarHBondContact O-OH 2.96Å; G94-H163 PolarHBondContact O-CD2 3.48Å; G94-H163 PolarHBondContact O-NE2 2.86Å |
| 95 | H | 83.7 | Confident | 87.1 | Confident | 62 Ų | 62 | 41.6 Ų | 41.6 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -89 | 159.4 | -176.3 | -70.7 | -49.7 | 0 | 0 | 0 | 113.8 | G92 V97 F98 Y99 | G92-H95 PolarHBondContact O-N 3.3Å; H95-V97 PolarHBondContact O-N 3.37Å; H95-F98 WeakPolarHBondContact O-CB 3.4Å; H95-F98 PolarHBondContact O-N 3.43Å; H95-Y99 WeakPolarHBondContact O-CD2 3.38Å; H95-Y99 PolarHBondContact O-N 3.5Å |
| 96 | E | 80.3 | Confident | 87.1 | Confident | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.5 | -40.8 | 178.5 | -166.5 | -165 | 149.7 | 0 | 0 | 112.6 | N63 F98 Y99 I100 R334 Y373 | N63-E96 PolarHBondContact ND2-OE2 3.4Å; E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.07Å; E96-Y99 PolarHBondContact O-N 3.32Å; E96-Y99 VanDerWaalsContact O-N 3.12Å; E96-I100 PolarHBondContact O-N 3.39Å; E96-R334 IonicContact OE1-CZ 3Å; E96-R334 IonicContact OE1-NE 3.46Å; E96-R334 IonicContact OE1-NH2 3.5Å; E96-R334 PolarHBondContact OE1-NH2 3.28Å; E96-R334 IonicContact OE2-NH2 2.9Å; E96-Y373 WeakPolarHBondContact OE1-CE1 3.47Å; E96-Y373 VanDerWaalsContact OE1-CZ 3.3Å; E96-Y373 PolarHBondContact OE1-OH 2.99Å |
| 97 | V | 82.3 | Confident | 87 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.7 | -32.7 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 112 | H95 I100 T101 | H95-V97 PolarHBondContact O-N 3.37Å; V97-I100 WeakPolarHBondContact O-CG2 3.49Å; V97-T101 WeakPolarHBondContact O-CG2 3.49Å; V97-T101 PolarHBondContact O-N 3.13Å; V97-T101 PolarHBondContact O-OG1 3.17Å |
| 98 | F | 86.2 | Confident | 86.8 | Confident | 60 Ų | 60 | 33.1 Ų | 33.1 | 26% | 0.263 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.2 | -41.7 | 173.9 | 178.4 | -98.9 | 0 | 0 | 0 | 110.9 | L93 H95 E96 T101 C102 | L93-F98 HydrophobicContact CB-CD1 4.4Å; L93-F98 HydrophobicContact CB-CD2 4.4Å; L93-F98 HydrophobicContact CB-CE1 4.41Å; L93-F98 HydrophobicContact CB-CE2 4.44Å; L93-F98 HydrophobicContact CB-CG 4.37Å; L93-F98 HydrophobicContact CB-CZ 4.42Å; L93-F98 HydrophobicContact CD2-CD2 3.6Å; L93-F98 HydrophobicContact CD2-CE2 3.38Å; L93-F98 HydrophobicContact CD2-CG 4.37Å; L93-F98 HydrophobicContact CD2-CZ 3.99Å; L93-F98 HydrophobicContact CG-CE2 4.48Å; L93-F98 WeakPolarHBondContact O-CD1 3.22Å; L93-F98 WeakPolarHBondContact O-CG 3.38Å; H95-F98 WeakPolarHBondContact O-CB 3.4Å; H95-F98 PolarHBondContact O-N 3.43Å; E96-F98 VanDerWaalsContact C-N 3.27Å; E96-F98 PolarHBondContact O-N 3.07Å; F98-T101 PolarHBondContact O-N 3.25Å; F98-T101 PolarHBondContact O-OG1 3.48Å; F98-C102 HydrophobicContact CD1-CB 4.1Å; F98-C102 HydrophobicContact CD2-CB 4.14Å; F98-C102 HydrophobicContact CE1-CB 3.72Å; F98-C102 HydrophobicContact CE2-CB 3.73Å; F98-C102 HydrophobicContact CG-CB 4.33Å; F98-C102 HydrophobicContact CZ-CB 3.52Å; F98-C102 WeakPolarHBondContact CZ-SG 3.4Å; F98-C102 WeakPolarHBondContact O-CB 3.44Å; F98-C102 PolarHBondContact O-N 2.92Å |
| 99 | Y | 86.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 179.9 | -59.4 | -49 | 0 | 0 | 0 | 113 | G94 H95 E96 T101 L103 P104 W122 A166 I170 | G94-Y99 WeakPolarHBondContact O-CE2 3.41Å; G94-Y99 PolarHBondContact O-OH 2.96Å; H95-Y99 WeakPolarHBondContact O-CD2 3.38Å; H95-Y99 PolarHBondContact O-N 3.5Å; E96-Y99 PolarHBondContact O-N 3.32Å; E96-Y99 VanDerWaalsContact O-N 3.12Å; Y99-T101 PolarHBondContact O-N 3.42Å; Y99-L103 PolarHBondContact O-N 3.19Å; Y99-P104 WeakPolarHBondContact O-CD 3.46Å; Y99-W122 HydrophobicContact CD1-CZ2 4.4Å; Y99-W122 AromaticContact CD1-NE1 3.98Å; Y99-W122 AromaticContact CD2-CZ2 3.61Å; Y99-W122 HydrophobicContact CD2-CZ2 3.61Å; Y99-W122 AromaticContact CE1-NE1 3.85Å; Y99-W122 HydrophobicContact CE2-CZ2 4.22Å; Y99-W122 AromaticContact CE2-NE1 3.87Å; Y99-W122 AromaticContact CG-CZ2 3.73Å; Y99-W122 HydrophobicContact CG-CZ2 3.73Å; Y99-W122 AromaticContact CZ-NE1 3.79Å; Y99-A166 HydrophobicContact CE1-CB 4.47Å; Y99-A166 WeakPolarHBondContact OH-CB 3.33Å; Y99-I170 HydrophobicContact CD1-CD1 3.92Å; Y99-I170 HydrophobicContact CE1-CD1 3.55Å |
| 100 | I | 84.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 30.9 Ų | 30.9 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -13.6 | 178 | -157.2 | 173.6 | 0 | 0 | 0 | 113.1 | E96 V97 P104 V376 | E96-I100 PolarHBondContact O-N 3.39Å; V97-I100 WeakPolarHBondContact O-CG2 3.49Å; I100-P104 WeakPolarHBondContact O-CG 3.33Å; I100-V376 HydrophobicContact CD1-CG1 4.3Å; I100-V376 HydrophobicContact CG1-CG1 4.47Å |
| 101 | T | 86.1 | Confident | 86.3 | Confident | 41 Ų | 41 | 31 Ų | 31 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -105.5 | -52.1 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | V97 F98 Y99 C105 V327 | V97-T101 WeakPolarHBondContact O-CG2 3.49Å; V97-T101 PolarHBondContact O-N 3.13Å; V97-T101 PolarHBondContact O-OG1 3.17Å; F98-T101 PolarHBondContact O-N 3.25Å; F98-T101 PolarHBondContact O-OG1 3.48Å; Y99-T101 PolarHBondContact O-N 3.42Å; T101-C105 WeakPolarHBondContact O-CB 3.48Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.2Å; T101-V327 HydrophobicContact CG2-CG1 4.19Å; T101-V327 HydrophobicContact CG2-CG2 3.92Å |
| 102 | C | 88.9 | Confident | 86.4 | Confident | 34 Ų | 34 | 31.6 Ų | 31.6 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | -174.2 | -174.5 | 0 | 0 | 0 | 0 | 113.4 | F98 C105 I106 | F98-C102 HydrophobicContact CD1-CB 4.1Å; F98-C102 HydrophobicContact CD2-CB 4.14Å; F98-C102 HydrophobicContact CE1-CB 3.72Å; F98-C102 HydrophobicContact CE2-CB 3.73Å; F98-C102 HydrophobicContact CG-CB 4.33Å; F98-C102 HydrophobicContact CZ-CB 3.52Å; F98-C102 WeakPolarHBondContact CZ-SG 3.4Å; F98-C102 WeakPolarHBondContact O-CB 3.44Å; F98-C102 PolarHBondContact O-N 2.92Å; C102-C105 WeakPolarHBondContact O-CB 3.33Å; C102-C105 PolarHBondContact O-N 3.26Å; C102-I106 WeakPolarHBondContact O-CG1 3.35Å; C102-I106 PolarHBondContact O-N 3.15Å |
| 103 | L | 91.1 | Very high | 86.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | -178.6 | -63.4 | 173.4 | 0 | 0 | 0 | 111.6 | Y99 C105 I106 H107 C115 L118 V119 W122 | Y99-L103 PolarHBondContact O-N 3.19Å; L103-C105 VanDerWaalsContact C-N 3.33Å; L103-C105 PolarHBondContact O-N 3.34Å; L103-I106 WeakPolarHBondContact O-CB 3.13Å; L103-I106 PolarHBondContact O-N 3.21Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-H107 PolarHBondContact O-N 3.36Å; L103-H107 VanDerWaalsContact O-N 3.07Å; L103-C115 PolarHBondContact O-SG 3.23Å; L103-L118 HydrophobicContact CD2-CB 4.17Å; L103-V119 HydrophobicContact CD1-CG2 4.34Å; L103-W122 HydrophobicContact CD1-CD2 4.21Å; L103-W122 HydrophobicContact CD1-CE3 4.02Å; L103-W122 HydrophobicContact CD1-CZ3 4.31Å |
| 104 | P | 89.9 | Confident | 87 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 171.4 | -31 | 41.7 | 0 | 0 | 0 | 114.3 | Y99 I100 I106 H107 W108 L330 N380 | Y99-P104 WeakPolarHBondContact O-CD 3.46Å; I100-P104 WeakPolarHBondContact O-CG 3.33Å; P104-I106 VanDerWaalsContact C-N 3.26Å; P104-I106 PolarHBondContact O-N 3.39Å; P104-H107 WeakPolarHBondContact O-CB 3.35Å; P104-H107 PolarHBondContact O-N 3.08Å; P104-H107 VanDerWaalsContact O-N 3.11Å; P104-W108 HydrophobicContact CB-CD2 4.24Å; P104-W108 HydrophobicContact CB-CE3 4.05Å; P104-W108 HydrophobicContact CB-CH2 3.36Å; P104-W108 HydrophobicContact CB-CZ2 3.61Å; P104-W108 HydrophobicContact CB-CZ3 3.62Å; P104-W108 HydrophobicContact CG-CH2 4.43Å; P104-W108 VanDerWaalsContact O-CD2 3.23Å; P104-W108 VanDerWaalsContact O-CG 3.28Å; P104-W108 PolarHBondContact O-N 2.87Å; P104-L330 HydrophobicContact CB-CD1 3.87Å; P104-L330 HydrophobicContact CG-CD1 3.53Å; P104-N380 VanDerWaalsContact CB-OD1 3.24Å; P104-N380 WeakPolarHBondContact CB-OD1 3.49Å |
| 105 | C | 89 | Confident | 87.5 | Confident | 35 Ų | 35 | 29.4 Ų | 29.4 | 24% | 0.236 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.2 | -39.3 | 174.5 | -74.9 | 0 | 0 | 0 | 0 | 112 | T101 C102 L103 N109 S323 | T101-C105 WeakPolarHBondContact O-CB 3.48Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.2Å; C102-C105 WeakPolarHBondContact O-CB 3.33Å; C102-C105 PolarHBondContact O-N 3.26Å; L103-C105 VanDerWaalsContact C-N 3.33Å; L103-C105 PolarHBondContact O-N 3.34Å; C105-N109 VanDerWaalsContact O-CB 3.26Å; C105-N109 WeakPolarHBondContact O-CB 3.44Å; C105-N109 PolarHBondContact O-N 3.32Å; C105-N109 PolarHBondContact O-ND2 3.43Å; C105-S323 VanDerWaalsContact SG-CB 3.53Å; C105-S323 PolarHBondContact SG-OG 3.4Å |
| 106 | I | 89.6 | Confident | 88 | Confident | 25 Ų | 25 | 26.5 Ų | 26.5 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 175.4 | -64.5 | 169 | 0 | 0 | 0 | 110.5 | C102 L103 P104 W108 L110 D111 C115 L118 | C102-I106 WeakPolarHBondContact O-CG1 3.35Å; C102-I106 PolarHBondContact O-N 3.15Å; L103-I106 WeakPolarHBondContact O-CB 3.13Å; L103-I106 PolarHBondContact O-N 3.21Å; L103-I106 VanDerWaalsContact O-N 3.14Å; P104-I106 VanDerWaalsContact C-N 3.26Å; P104-I106 PolarHBondContact O-N 3.39Å; I106-W108 PolarHBondContact O-N 3.48Å; I106-L110 HydrophobicContact CG2-CB 4.26Å; I106-L110 HydrophobicContact CG2-CD2 4.19Å; I106-L110 WeakPolarHBondContact O-CA 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.39Å; I106-L110 PolarHBondContact O-N 2.99Å; I106-D111 PolarHBondContact O-N 3.39Å; I106-D111 VanDerWaalsContact O-N 3.08Å; I106-C115 HydrophobicContact CG2-CB 4.2Å; I106-L118 HydrophobicContact CD1-CD1 3.77Å; I106-L118 HydrophobicContact CG2-CD1 4.11Å |
| 107 | H | 89.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.019 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.7 | 179.1 | 67.2 | 0 | 0 | 0 | 112.7 | L103 P104 C115 Y288 N380 N385 | L103-H107 PolarHBondContact O-N 3.36Å; L103-H107 VanDerWaalsContact O-N 3.07Å; P104-H107 WeakPolarHBondContact O-CB 3.35Å; P104-H107 PolarHBondContact O-N 3.08Å; P104-H107 VanDerWaalsContact O-N 3.11Å; H107-C115 HydrophobicContact CB-CB 3.69Å; H107-Y288 AromaticContact CE1-CE1 3.43Å; H107-Y288 VanDerWaalsContact CE1-CE1 3.43Å; H107-Y288 WeakPolarHBondContact CE1-CE1 3.35Å; H107-Y288 AromaticContact ND1-CE1 3.57Å; H107-Y288 AromaticContact ND1-CZ 3.85Å; H107-Y288 PolarHBondContact ND1-OH 3.49Å; H107-N380 PolarHBondContact NE2-O 3.37Å; H107-N385 PolarHBondContact NE2-ND2 2.95Å |
| 108 | W | 88.4 | Confident | 89.3 | Confident | 18 Ų | 18 | 22.4 Ų | 22.4 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -85.1 | -29.5 | -174.2 | -59.5 | -35.6 | 0 | 0 | 0 | 114.9 | P104 I106 L330 N380 V384 N385 F388 | P104-W108 HydrophobicContact CB-CD2 4.24Å; P104-W108 HydrophobicContact CB-CE3 4.05Å; P104-W108 HydrophobicContact CB-CH2 3.36Å; P104-W108 HydrophobicContact CB-CZ2 3.61Å; P104-W108 HydrophobicContact CB-CZ3 3.62Å; P104-W108 HydrophobicContact CG-CH2 4.43Å; P104-W108 VanDerWaalsContact O-CD2 3.23Å; P104-W108 VanDerWaalsContact O-CG 3.28Å; P104-W108 PolarHBondContact O-N 2.87Å; I106-W108 PolarHBondContact O-N 3.48Å; W108-L330 HydrophobicContact CH2-CD1 3.66Å; W108-L330 HydrophobicContact CH2-CG 4.15Å; W108-L330 HydrophobicContact CZ2-CD1 4Å; W108-L330 HydrophobicContact CZ2-CG 4.36Å; W108-N380 VanDerWaalsContact CZ2-OD1 3.31Å; W108-N380 WeakPolarHBondContact CZ2-OD1 3.15Å; W108-N380 PolarHBondContact NE1-O 2.93Å; W108-V384 HydrophobicContact CD2-CG1 4.1Å; W108-V384 VanDerWaalsContact CE2-CG1 3.4Å; W108-V384 HydrophobicContact CH2-CG1 4.35Å; W108-V384 HydrophobicContact CZ2-CB 3.95Å; W108-V384 HydrophobicContact CZ2-CG1 3.56Å; W108-V384 HydrophobicContact CZ2-CG2 3.93Å; W108-N385 VanDerWaalsContact CD1-OD1 3.3Å; W108-F388 HydrophobicContact CB-CE2 3.75Å; W108-F388 HydrophobicContact CB-CZ 4.43Å; W108-F388 AromaticContact CD1-CE2 3.63Å; W108-F388 AromaticContact CD2-CE2 3.94Å; W108-F388 HydrophobicContact CD2-CE2 3.94Å; W108-F388 HydrophobicContact CD2-CZ 4.02Å; W108-F388 HydrophobicContact CE3-CZ 4.33Å; W108-F388 AromaticContact CG-CE2 3.5Å; W108-F388 HydrophobicContact CG-CE2 3.5Å; W108-F388 VanDerWaalsContact CG-CE2 3.5Å; W108-F388 HydrophobicContact CG-CZ 4.06Å |
| 109 | N | 85.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 19.7 Ų | 19.7 | 33% | 0.326 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -108.4 | -27.4 | -173 | -65.7 | -75.8 | 0 | 0 | 0 | 114.3 | C105 G319 S323 | C105-N109 VanDerWaalsContact O-CB 3.26Å; C105-N109 WeakPolarHBondContact O-CB 3.44Å; C105-N109 PolarHBondContact O-N 3.32Å; C105-N109 PolarHBondContact O-ND2 3.43Å; N109-G319 WeakPolarHBondContact OD1-CA 3.48Å; N109-G319 PolarHBondContact OD1-O 3.33Å; N109-S323 PolarHBondContact ND2-OG 2.72Å |
| 110 | L | 84.9 | Confident | 90.1 | Very high | 83 Ų | 83 | 19.9 Ų | 19.9 | 44% | 0.435 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -73 | -174.8 | -172.2 | 67.4 | 0 | 0 | 0 | 110.8 | I106 L114 L174 | I106-L110 HydrophobicContact CG2-CB 4.26Å; I106-L110 HydrophobicContact CG2-CD2 4.19Å; I106-L110 WeakPolarHBondContact O-CA 3.29Å; I106-L110 WeakPolarHBondContact O-CB 3.39Å; I106-L110 PolarHBondContact O-N 2.99Å; L110-L114 HydrophobicContact CD2-CD1 3.57Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L174 HydrophobicContact CD2-CD1 4.29Å |
| 111 | D | 87.4 | Confident | 90.7 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -167.8 | 125.8 | -177.2 | -163.5 | -18.2 | 0 | 0 | 0 | 111.5 | I106 F113 L114 C115 R181 | I106-D111 PolarHBondContact O-N 3.39Å; I106-D111 VanDerWaalsContact O-N 3.08Å; D111-F113 PolarHBondContact O-N 3.09Å; D111-F113 WeakPolarHBondContact OD1-CB 3.27Å; D111-F113 PolarHBondContact OD1-N 3.15Å; D111-L114 HydrophobicContact CB-CB 4.22Å; D111-L114 HydrophobicContact CB-CD1 3.95Å; D111-L114 HydrophobicContact CB-CG 3.92Å; D111-L114 PolarHBondContact O-N 2.91Å; D111-C115 PolarHBondContact O-N 3.27Å; D111-C115 VanDerWaalsContact O-N 3.14Å; D111-R181 VanDerWaalsContact CG-NH2 3.32Å; D111-R181 IonicContact OD1-CZ 2.83Å; D111-R181 IonicContact OD1-NH2 3.81Å; D111-R181 PolarHBondContact OD1-NH2 3.22Å; D111-R181 WeakPolarHBondContact OD2-CG 3.41Å; D111-R181 IonicContact OD2-CZ 3.11Å; D111-R181 IonicContact OD2-NE 2.75Å; D111-R181 PolarHBondContact OD2-NE 3.06Å; D111-R181 IonicContact OD2-NH2 3.74Å; D111-R181 PolarHBondContact OD2-NH2 3.41Å | ||
| 112 | P | 88.8 | Confident | 91.2 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.7 | -34 | 170.8 | -28.9 | 37 | 0 | 0 | 0 | 114.1 | C115 R116 Y288 F298 E299 | P112-C115 PolarHBondContact O-N 3.1Å; P112-R116 VanDerWaalsContact O-CB 3.31Å; P112-R116 WeakPolarHBondContact O-CB 3.41Å; P112-R116 PolarHBondContact O-N 3.01Å; P112-Y288 HydrophobicContact CB-CE1 4.32Å; P112-F298 HydrophobicContact CG-CB 4.31Å; P112-E299 HydrophobicContact CB-CG 4.49Å |
| 113 | F | 90.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 16.4 Ų | 16.4 | 5% | 0.053 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 178.3 | 172 | -94.7 | 0 | 0 | 0 | 112 | D111 R116 R117 R181 | D111-F113 PolarHBondContact O-N 3.09Å; D111-F113 WeakPolarHBondContact OD1-CB 3.27Å; D111-F113 PolarHBondContact OD1-N 3.15Å; F113-R116 PolarHBondContact O-N 2.9Å; F113-R117 PolarHBondContact O-N 2.96Å; F113-R181 HydrophobicContact CD1-CG 3.66Å; F113-R181 HydrophobicContact CE1-CG 3.94Å |
| 114 | L | 92 | Very high | 91.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 178.2 | -63.5 | 176.7 | 0 | 0 | 0 | 110.7 | L110 D111 R116 R117 L118 L174 S177 R181 | L110-L114 HydrophobicContact CD2-CD1 3.57Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; D111-L114 HydrophobicContact CB-CB 4.22Å; D111-L114 HydrophobicContact CB-CD1 3.95Å; D111-L114 HydrophobicContact CB-CG 3.92Å; D111-L114 PolarHBondContact O-N 2.91Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.22Å; L114-R117 PolarHBondContact O-N 3.44Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 3.31Å; L114-L174 HydrophobicContact CB-CD1 4.28Å; L114-L174 HydrophobicContact CD1-CD1 4.06Å; L114-S177 VanDerWaalsContact CD2-C 3.47Å; L114-S177 WeakPolarHBondContact CD2-O 3.35Å; L114-R181 HydrophobicContact CD2-CG 4.24Å; L114-R181 HydrophobicContact CG-CG 4.46Å |
| 115 | C | 93 | Very high | 92 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 178 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | L103 I106 H107 D111 P112 R117 L118 V119 | L103-C115 PolarHBondContact O-SG 3.23Å; I106-C115 HydrophobicContact CG2-CB 4.2Å; H107-C115 HydrophobicContact CB-CB 3.69Å; D111-C115 PolarHBondContact O-N 3.27Å; D111-C115 VanDerWaalsContact O-N 3.14Å; P112-C115 PolarHBondContact O-N 3.1Å; C115-R117 PolarHBondContact O-N 3.38Å; C115-L118 WeakPolarHBondContact O-CB 3.49Å; C115-L118 PolarHBondContact O-N 2.67Å; C115-V119 WeakPolarHBondContact O-CG2 2.99Å; C115-V119 PolarHBondContact O-N 3.4Å |
| 116 | R | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 179.1 | 179.9 | 160.1 | 51.2 | 113.6 | 3.3 | 112 | P112 F113 L114 L118 V119 N120 D237 L241 Y288 E299 | P112-R116 VanDerWaalsContact O-CB 3.31Å; P112-R116 WeakPolarHBondContact O-CB 3.41Å; P112-R116 PolarHBondContact O-N 3.01Å; F113-R116 PolarHBondContact O-N 2.9Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.22Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 2.64Å; R116-V119 PolarHBondContact O-N 2.84Å; R116-N120 PolarHBondContact O-N 3.36Å; R116-N120 PolarHBondContact O-ND2 2.9Å; R116-D237 IonicContact CZ-OD1 3.81Å; R116-D237 IonicContact CZ-OD2 3.47Å; R116-D237 IonicContact NE-OD1 2.91Å; R116-D237 PolarHBondContact NE-OD1 3.41Å; R116-D237 PolarHBondContact NH1-O 3.36Å; R116-D237 VanDerWaalsContact NH1-O 3.11Å; R116-D237 IonicContact NH1-OD1 3.07Å; R116-D237 PolarHBondContact NH1-OD1 3.04Å; R116-D237 IonicContact NH1-OD2 3.7Å; R116-D237 PolarHBondContact NH1-OD2 3.24Å; R116-D237 VanDerWaalsContact NH2-CG 3.26Å; R116-D237 IonicContact NH2-OD1 2.95Å; R116-D237 PolarHBondContact NH2-OD1 2.93Å; R116-D237 VanDerWaalsContact NH2-OD1 3.11Å; R116-D237 IonicContact NH2-OD2 2.94Å; R116-D237 PolarHBondContact NH2-OD2 3.44Å; R116-L241 VanDerWaalsContact CZ-CD1 3.49Å; R116-L241 VanDerWaalsContact NH2-CD1 3.35Å; R116-Y288 HydrophobicContact CB-CD2 4.14Å; R116-Y288 HydrophobicContact CB-CE1 4.36Å; R116-Y288 HydrophobicContact CB-CE2 3.73Å; R116-Y288 HydrophobicContact CG-CD2 3.81Å; R116-Y288 HydrophobicContact CG-CE2 3.85Å; R116-Y288 HydrophobicContact CG-CG 4.39Å; R116-E299 IonicContact NH2-OE1 2.96Å |
| 117 | R | 94.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 6% | 0.06 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 174.4 | -71 | -174.8 | 172 | -168.2 | -3.1 | 112.8 | F113 L114 C115 N120 M121 T173 S177 E234 | F113-R117 PolarHBondContact O-N 2.96Å; L114-R117 PolarHBondContact O-N 3.44Å; C115-R117 PolarHBondContact O-N 3.38Å; R117-N120 PolarHBondContact O-N 3.39Å; R117-M121 WeakPolarHBondContact O-CB 3.47Å; R117-M121 PolarHBondContact O-N 2.89Å; R117-T173 HydrophobicContact CB-CG2 4.14Å; R117-S177 VanDerWaalsContact CD-OG 3.25Å; R117-S177 WeakPolarHBondContact CD-OG 3.3Å; R117-E234 IonicContact CZ-OE1 2.86Å; R117-E234 IonicContact NH1-OE1 3.07Å; R117-E234 IonicContact NH2-OE1 3.49Å; R117-E234 PolarHBondContact NH2-OE1 2.95Å; R117-E234 IonicContact NH2-OE2 2.73Å; R117-E234 PolarHBondContact NH2-OE2 3.42Å |
| 118 | L | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 177.3 | -71.6 | 171.2 | 0 | 0 | 0 | 112.2 | L103 I106 L114 C115 R116 N120 M121 W122 I170 T173 L174 | L103-L118 HydrophobicContact CD2-CB 4.17Å; I106-L118 HydrophobicContact CD1-CD1 3.77Å; I106-L118 HydrophobicContact CG2-CD1 4.11Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 3.31Å; C115-L118 WeakPolarHBondContact O-CB 3.49Å; C115-L118 PolarHBondContact O-N 2.67Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-L118 PolarHBondContact O-N 2.64Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 2.68Å; L118-M121 PolarHBondContact O-N 3.37Å; L118-W122 WeakPolarHBondContact O-CB 3.26Å; L118-W122 PolarHBondContact O-N 3.02Å; L118-I170 HydrophobicContact CD2-CB 4.41Å; L118-I170 HydrophobicContact CD2-CG2 4.1Å; L118-I170 WeakPolarHBondContact CD2-O 3.37Å; L118-T173 HydrophobicContact CD2-CG2 3.91Å; L118-T173 HydrophobicContact CG-CG2 4.47Å; L118-L174 HydrophobicContact CD1-CB 4.47Å; L118-L174 HydrophobicContact CD1-CD1 4.27Å; L118-L174 HydrophobicContact CD2-CB 4.01Å |
| 119 | V | 95.1 | Very high | 93 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 178.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | L103 C115 R116 T123 C281 C284 | L103-V119 HydrophobicContact CD1-CG2 4.34Å; C115-V119 WeakPolarHBondContact O-CG2 2.99Å; C115-V119 PolarHBondContact O-N 3.4Å; R116-V119 PolarHBondContact O-N 2.84Å; V119-T123 VanDerWaalsContact O-CB 3.26Å; V119-T123 WeakPolarHBondContact O-CB 3.39Å; V119-T123 PolarHBondContact O-N 3.05Å; V119-T123 PolarHBondContact O-OG1 3.44Å; V119-C281 HydrophobicContact CG1-CB 4.33Å; V119-C284 HydrophobicContact CG1-CB 4.26Å |
| 120 | N | 95.7 | Very high | 93.3 | Very high | 23 Ų | 23 | 16.4 Ų | 16.4 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 178.4 | -68.6 | -21.1 | 0 | 0 | 0 | 111.7 | R116 R117 L118 T123 L124 F236 Q240 | R116-N120 PolarHBondContact O-N 3.36Å; R116-N120 PolarHBondContact O-ND2 2.9Å; R117-N120 PolarHBondContact O-N 3.39Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 2.68Å; N120-T123 PolarHBondContact O-N 3.06Å; N120-L124 PolarHBondContact O-N 3.1Å; N120-F236 HydrophobicContact CB-CE1 4.25Å; N120-F236 VanDerWaalsContact ND2-CE1 3.34Å; N120-F236 WeakPolarHBondContact ND2-CE1 3.36Å; N120-Q240 PolarHBondContact ND2-OE1 2.92Å; N120-Q240 PolarHBondContact OD1-OE1 3.45Å |
| 121 | M | 96.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 3% | 0.034 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | -179.9 | -77 | -56.1 | -58.4 | 0 | 0 | 112.9 | R117 L118 T123 L124 V125 T173 I226 T229 W233 | R117-M121 WeakPolarHBondContact O-CB 3.47Å; R117-M121 PolarHBondContact O-N 2.89Å; L118-M121 PolarHBondContact O-N 3.37Å; M121-T123 VanDerWaalsContact C-N 3.32Å; M121-T123 PolarHBondContact O-N 3.37Å; M121-L124 HydrophobicContact CE-CD2 4.5Å; M121-L124 PolarHBondContact O-N 3.23Å; M121-L124 HydrophobicContact SD-CD2 4.37Å; M121-V125 HydrophobicContact CE-CG2 4.23Å; M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.24Å; M121-V125 WeakPolarHBondContact O-CG2 3.32Å; M121-V125 PolarHBondContact O-N 3.06Å; M121-T173 HydrophobicContact CB-CG2 4.11Å; M121-T173 HydrophobicContact CG-CG2 3.9Å; M121-I226 HydrophobicContact CE-CG1 3.79Å; M121-T229 WeakPolarHBondContact CE-OG1 3.42Å; M121-T229 PolarHBondContact SD-OG1 3.18Å; M121-W233 HydrophobicContact CE-CZ2 4.09Å; M121-W233 HydrophobicContact CG-CH2 4.49Å; M121-W233 HydrophobicContact CG-CZ2 3.66Å; M121-W233 HydrophobicContact SD-CZ2 3.78Å; M121-W233 PolarHBondContact SD-NE1 3.48Å |
| 122 | W | 95.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 16 Ų | 16 | 5% | 0.049 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.7 | 171.8 | 67.8 | 0 | 0 | 0 | 111.2 | Y99 L103 L118 V125 M126 I170 I277 | Y99-W122 HydrophobicContact CD1-CZ2 4.4Å; Y99-W122 AromaticContact CD1-NE1 3.98Å; Y99-W122 AromaticContact CD2-CZ2 3.61Å; Y99-W122 HydrophobicContact CD2-CZ2 3.61Å; Y99-W122 AromaticContact CE1-NE1 3.85Å; Y99-W122 HydrophobicContact CE2-CZ2 4.22Å; Y99-W122 AromaticContact CE2-NE1 3.87Å; Y99-W122 AromaticContact CG-CZ2 3.73Å; Y99-W122 HydrophobicContact CG-CZ2 3.73Å; Y99-W122 AromaticContact CZ-NE1 3.79Å; L103-W122 HydrophobicContact CD1-CD2 4.21Å; L103-W122 HydrophobicContact CD1-CE3 4.02Å; L103-W122 HydrophobicContact CD1-CZ3 4.31Å; L118-W122 WeakPolarHBondContact O-CB 3.26Å; L118-W122 PolarHBondContact O-N 3.02Å; W122-V125 PolarHBondContact O-N 3Å; W122-M126 HydrophobicContact CG-CG 4.37Å; W122-M126 VanDerWaalsContact O-CB 3.23Å; W122-M126 WeakPolarHBondContact O-CB 3.18Å; W122-M126 WeakPolarHBondContact O-CG 3.21Å; W122-M126 PolarHBondContact O-N 3Å; W122-I170 HydrophobicContact CB-CG1 4.34Å; W122-I170 HydrophobicContact CG-CD1 4.42Å; W122-I277 HydrophobicContact CD2-CG2 4.46Å; W122-I277 HydrophobicContact CE3-CG2 4.09Å; W122-I277 HydrophobicContact CH2-CB 4.17Å; W122-I277 HydrophobicContact CH2-CG1 3.71Å; W122-I277 HydrophobicContact CH2-CG2 3.92Å; W122-I277 HydrophobicContact CZ2-CD1 4.24Å; W122-I277 HydrophobicContact CZ2-CG1 3.81Å; W122-I277 HydrophobicContact CZ2-CG2 4.27Å; W122-I277 HydrophobicContact CZ3-CB 4.44Å; W122-I277 HydrophobicContact CZ3-CG1 4.45Å; W122-I277 HydrophobicContact CZ3-CG2 3.81Å |
| 123 | T | 95.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 178.2 | -60 | 0 | 0 | 0 | 0 | 111.7 | V119 N120 M121 M126 Y127 I277 L278 C281 | V119-T123 VanDerWaalsContact O-CB 3.26Å; V119-T123 WeakPolarHBondContact O-CB 3.39Å; V119-T123 PolarHBondContact O-N 3.05Å; V119-T123 PolarHBondContact O-OG1 3.44Å; N120-T123 PolarHBondContact O-N 3.06Å; M121-T123 VanDerWaalsContact C-N 3.32Å; M121-T123 PolarHBondContact O-N 3.37Å; T123-M126 PolarHBondContact O-N 3.07Å; T123-Y127 VanDerWaalsContact O-CB 3.28Å; T123-Y127 WeakPolarHBondContact O-CB 3.37Å; T123-Y127 PolarHBondContact O-N 3.38Å; T123-I277 HydrophobicContact CG2-CG2 4.13Å; T123-L278 HydrophobicContact CG2-CD2 3.85Å; T123-C281 HydrophobicContact CG2-CB 3.65Å; T123-C281 VanDerWaalsContact OG1-CB 3.29Å; T123-C281 WeakPolarHBondContact OG1-CB 3.35Å |
| 124 | L | 96.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 15.1 Ų | 15.1 | 33% | 0.325 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 178.2 | 175.2 | 65.5 | 0 | 0 | 0 | 111.4 | N120 M121 M126 Y127 V128 T229 | N120-L124 PolarHBondContact O-N 3.1Å; M121-L124 HydrophobicContact CE-CD2 4.5Å; M121-L124 PolarHBondContact O-N 3.23Å; M121-L124 HydrophobicContact SD-CD2 4.37Å; L124-M126 PolarHBondContact O-N 2.93Å; L124-Y127 PolarHBondContact O-N 2.87Å; L124-V128 HydrophobicContact CD1-CG2 4.17Å; L124-V128 WeakPolarHBondContact O-CB 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.43Å; L124-V128 PolarHBondContact O-N 3.26Å; L124-T229 HydrophobicContact CD2-CG2 3.6Å |
| 125 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | -176.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | M121 W122 G129 M165 A169 T222 L225 | M121-V125 HydrophobicContact CE-CG2 4.23Å; M121-V125 WeakPolarHBondContact O-CB 3.43Å; M121-V125 VanDerWaalsContact O-CG2 3.24Å; M121-V125 WeakPolarHBondContact O-CG2 3.32Å; M121-V125 PolarHBondContact O-N 3.06Å; W122-V125 PolarHBondContact O-N 3Å; V125-G129 PolarHBondContact O-N 2.88Å; V125-M165 HydrophobicContact CG1-CB 3.62Å; V125-M165 HydrophobicContact CG1-CE 3.99Å; V125-A169 HydrophobicContact CB-CB 4.11Å; V125-A169 HydrophobicContact CG1-CB 4.09Å; V125-A169 HydrophobicContact CG2-CB 3.9Å; V125-T222 HydrophobicContact CG1-CG2 4.12Å; V125-T222 HydrophobicContact CG2-CG2 4.16Å; V125-L225 HydrophobicContact CB-CD1 4.46Å; V125-L225 HydrophobicContact CG2-CB 4.35Å; V125-L225 HydrophobicContact CG2-CD1 3.89Å |
| 126 | M | 94.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.059 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.6 | -42.5 | 176.7 | -73.8 | -65.1 | -73.4 | 0 | 0 | 112 | W122 T123 L124 G129 Q130 A166 I277 | W122-M126 HydrophobicContact CG-CG 4.37Å; W122-M126 VanDerWaalsContact O-CB 3.23Å; W122-M126 WeakPolarHBondContact O-CB 3.18Å; W122-M126 WeakPolarHBondContact O-CG 3.21Å; W122-M126 PolarHBondContact O-N 3Å; T123-M126 PolarHBondContact O-N 3.07Å; L124-M126 PolarHBondContact O-N 2.93Å; M126-G129 PolarHBondContact O-N 3.32Å; M126-Q130 WeakPolarHBondContact O-CB 3.42Å; M126-Q130 WeakPolarHBondContact O-CG 3.19Å; M126-Q130 PolarHBondContact O-N 3.14Å; M126-A166 HydrophobicContact CG-CB 4.41Å; M126-A166 HydrophobicContact SD-CB 3.8Å; M126-I277 HydrophobicContact CB-CD1 3.72Å; M126-I277 HydrophobicContact CB-CG2 4.21Å; M126-I277 HydrophobicContact CE-CD1 3.46Å; M126-I277 VanDerWaalsContact CE-CD1 3.46Å; M126-I277 HydrophobicContact CG-CD1 4Å |
| 127 | Y | 94.5 | Very high | 92.5 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 18% | 0.18 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -51.9 | 176.5 | 179.9 | -98.9 | 0 | 0 | 0 | 111.1 | T123 L124 G129 Q130 V131 L257 Y261 T274 L278 | T123-Y127 VanDerWaalsContact O-CB 3.28Å; T123-Y127 WeakPolarHBondContact O-CB 3.37Å; T123-Y127 PolarHBondContact O-N 3.38Å; L124-Y127 PolarHBondContact O-N 2.87Å; Y127-G129 VanDerWaalsContact C-N 3.33Å; Y127-G129 PolarHBondContact O-N 3.39Å; Y127-Q130 PolarHBondContact O-N 2.85Å; Y127-V131 HydrophobicContact CD1-CG2 4.4Å; Y127-V131 HydrophobicContact CD2-CG2 4.5Å; Y127-V131 HydrophobicContact CE1-CG2 4Å; Y127-V131 HydrophobicContact CE2-CG2 4.11Å; Y127-V131 WeakPolarHBondContact O-CB 3.47Å; Y127-V131 WeakPolarHBondContact O-CG2 3.43Å; Y127-V131 PolarHBondContact O-N 3.43Å; Y127-L257 HydrophobicContact CE1-CD2 4.32Å; Y127-L257 HydrophobicContact CE2-CB 3.95Å; Y127-L257 WeakPolarHBondContact OH-CD2 3.24Å; Y127-Y261 HydrophobicContact CE2-CD2 4.26Å; Y127-T274 HydrophobicContact CD2-CG2 3.66Å; Y127-T274 HydrophobicContact CE2-CG2 4.18Å; Y127-L278 HydrophobicContact CD2-CD1 3.93Å; Y127-L278 HydrophobicContact CD2-CD2 4.06Å; Y127-L278 HydrophobicContact CD2-CG 4.38Å; Y127-L278 HydrophobicContact CE2-CD1 4.13Å |
| 128 | V | 94.9 | Very high | 92 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 22% | 0.224 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L124 Q130 V131 M132 L225 | L124-V128 HydrophobicContact CD1-CG2 4.17Å; L124-V128 WeakPolarHBondContact O-CB 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.43Å; L124-V128 PolarHBondContact O-N 3.26Å; V128-Q130 PolarHBondContact O-N 3.47Å; V128-V131 PolarHBondContact O-N 3.43Å; V128-M132 HydrophobicContact CG1-CG 4.22Å; V128-M132 HydrophobicContact CG1-SD 3.82Å; V128-M132 WeakPolarHBondContact O-CB 3.31Å; V128-M132 VanDerWaalsContact O-CG 3.22Å; V128-M132 WeakPolarHBondContact O-CG 3.49Å; V128-M132 PolarHBondContact O-N 3.28Å; V128-L225 HydrophobicContact CB-CD1 4.13Å; V128-L225 HydrophobicContact CG1-CD1 4.09Å; V128-L225 HydrophobicContact CG2-CD1 4.38Å |
| 129 | G | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V125 M126 Y127 M132 K133 | V125-G129 PolarHBondContact O-N 2.88Å; M126-G129 PolarHBondContact O-N 3.32Å; Y127-G129 VanDerWaalsContact C-N 3.33Å; Y127-G129 PolarHBondContact O-N 3.39Å; G129-M132 PolarHBondContact O-N 3.32Å; G129-K133 WeakPolarHBondContact O-CG 3.45Å; G129-K133 PolarHBondContact O-N 3.4Å |
| 130 | Q | 91.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.019 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.2 | -42.8 | 178.5 | -65.2 | -73.2 | 28.1 | 0 | 0 | 111.4 | M126 Y127 V128 M132 K133 D134 T162 Y261 T274 | M126-Q130 WeakPolarHBondContact O-CB 3.42Å; M126-Q130 WeakPolarHBondContact O-CG 3.19Å; M126-Q130 PolarHBondContact O-N 3.14Å; Y127-Q130 PolarHBondContact O-N 2.85Å; V128-Q130 PolarHBondContact O-N 3.47Å; Q130-M132 PolarHBondContact O-N 3.04Å; Q130-K133 WeakPolarHBondContact O-CB 3.48Å; Q130-K133 PolarHBondContact O-N 3.24Å; Q130-D134 PolarHBondContact O-N 3.38Å; Q130-T162 HydrophobicContact CG-CG2 4.18Å; Q130-Y261 VanDerWaalsContact C-OH 3.28Å; Q130-Y261 HydrophobicContact CB-CE2 4.24Å; Q130-Y261 WeakPolarHBondContact CB-OH 3.28Å; Q130-Y261 PolarHBondContact O-OH 3.01Å; Q130-Y261 VanDerWaalsContact O-OH 3.13Å; Q130-T274 WeakPolarHBondContact CB-OG1 3.5Å; Q130-T274 WeakPolarHBondContact CG-OG1 3.32Å |
| 131 | V | 91.3 | Very high | 90 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | Y127 V128 K133 D134 L135 Y261 | Y127-V131 HydrophobicContact CD1-CG2 4.4Å; Y127-V131 HydrophobicContact CD2-CG2 4.5Å; Y127-V131 HydrophobicContact CE1-CG2 4Å; Y127-V131 HydrophobicContact CE2-CG2 4.11Å; Y127-V131 WeakPolarHBondContact O-CB 3.47Å; Y127-V131 WeakPolarHBondContact O-CG2 3.43Å; Y127-V131 PolarHBondContact O-N 3.43Å; V128-V131 PolarHBondContact O-N 3.43Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 2.86Å; V131-D134 PolarHBondContact O-N 2.89Å; V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 HydrophobicContact CG1-CG 4.21Å; V131-L135 WeakPolarHBondContact O-CB 3.46Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 3.04Å; V131-Y261 HydrophobicContact CG2-CD2 4.1Å; V131-Y261 HydrophobicContact CG2-CE2 3.75Å |
| 132 | M | 90.6 | Very high | 89 | Confident | 53 Ų | 53 | 38.5 Ų | 38.5 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.8 | -75.5 | -176.9 | 72.8 | 0 | 0 | 112.7 | V128 G129 Q130 D134 L135 L136 P160 I221 | V128-M132 HydrophobicContact CG1-CG 4.22Å; V128-M132 HydrophobicContact CG1-SD 3.82Å; V128-M132 WeakPolarHBondContact O-CB 3.31Å; V128-M132 VanDerWaalsContact O-CG 3.22Å; V128-M132 WeakPolarHBondContact O-CG 3.49Å; V128-M132 PolarHBondContact O-N 3.28Å; G129-M132 PolarHBondContact O-N 3.32Å; Q130-M132 PolarHBondContact O-N 3.04Å; M132-D134 VanDerWaalsContact C-N 3.34Å; M132-D134 PolarHBondContact O-N 3.47Å; M132-L135 PolarHBondContact O-N 3.07Å; M132-L136 HydrophobicContact CE-CD1 4.27Å; M132-L136 VanDerWaalsContact O-CB 3.31Å; M132-L136 WeakPolarHBondContact O-CB 3.33Å; M132-L136 VanDerWaalsContact O-CG 3.24Å; M132-L136 WeakPolarHBondContact O-CG 2.93Å; M132-L136 PolarHBondContact O-N 3.04Å; M132-P160 HydrophobicContact CB-CG 4.17Å; M132-I221 HydrophobicContact CE-CD1 3.44Å; M132-I221 VanDerWaalsContact CE-CD1 3.44Å; M132-I221 HydrophobicContact CE-CG1 4.18Å; M132-I221 HydrophobicContact SD-CD1 3.84Å; M132-I221 HydrophobicContact SD-CG1 4.43Å; M132-I221 HydrophobicContact SD-CG2 4.1Å |
| 133 | K | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 174.4 | -82.9 | -178 | 177.2 | 175.3 | 0 | 112.1 | G129 Q130 V131 L135 L136 K137 E156 L159 P160 T162 | G129-K133 WeakPolarHBondContact O-CG 3.45Å; G129-K133 PolarHBondContact O-N 3.4Å; Q130-K133 WeakPolarHBondContact O-CB 3.48Å; Q130-K133 PolarHBondContact O-N 3.24Å; V131-K133 VanDerWaalsContact C-N 3.33Å; V131-K133 PolarHBondContact O-N 2.86Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.35Å; K133-L136 PolarHBondContact O-N 3.43Å; K133-K137 PolarHBondContact O-N 3.04Å; K133-E156 IonicContact NZ-OE2 3.76Å; K133-L159 VanDerWaalsContact CA-O 3.3Å; K133-L159 WeakPolarHBondContact CA-O 3.28Å; K133-L159 WeakPolarHBondContact CG-O 3.34Å; K133-P160 WeakPolarHBondContact CE-O 3.36Å; K133-T162 HydrophobicContact CD-CG2 4.1Å; K133-T162 PolarHBondContact NZ-OG1 2.94Å |
| 134 | D | 86.2 | Confident | 86.6 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.5 | -20.4 | -174.4 | -66.6 | -14.4 | 0 | 0 | 0 | 112.2 | Q130 V131 M132 K137 Y261 L264 T270 | Q130-D134 PolarHBondContact O-N 3.38Å; V131-D134 PolarHBondContact O-N 2.89Å; M132-D134 VanDerWaalsContact C-N 3.34Å; M132-D134 PolarHBondContact O-N 3.47Å; D134-K137 WeakPolarHBondContact O-CE 3.47Å; D134-K137 WeakPolarHBondContact O-CG 3.36Å; D134-Y261 VanDerWaalsContact OD2-CE1 3.24Å; D134-Y261 WeakPolarHBondContact OD2-CE1 3.26Å; D134-Y261 VanDerWaalsContact OD2-CZ 3.28Å; D134-Y261 PolarHBondContact OD2-OH 3.29Å; D134-L264 HydrophobicContact CB-CD1 4.28Å; D134-L264 HydrophobicContact CB-CD2 4.27Å; D134-L264 HydrophobicContact CB-CG 4.47Å; D134-T270 PolarHBondContact OD2-OG1 2.97Å |
| 135 | L | 86.9 | Confident | 85.6 | Confident | 121 Ų | 121 | 43.6 Ų | 43.6 | 63% | 0.634 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -80.3 | -43.8 | 170.2 | -69.4 | 175.8 | 0 | 0 | 0 | 113 | V131 M132 K133 | V131-L135 HydrophobicContact CG1-CD1 3.74Å; V131-L135 HydrophobicContact CG1-CG 4.21Å; V131-L135 WeakPolarHBondContact O-CB 3.46Å; V131-L135 VanDerWaalsContact O-CG 3.26Å; V131-L135 WeakPolarHBondContact O-CG 3.46Å; V131-L135 PolarHBondContact O-N 3.04Å; M132-L135 PolarHBondContact O-N 3.07Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.35Å |
| 136 | L | 86.2 | Confident | 84.8 | Confident | 83 Ų | 83 | 43.6 Ų | 43.6 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80.3 | -27.3 | -175.2 | -66.6 | 172.8 | 0 | 0 | 0 | 112.9 | M132 K133 L138 L159 | M132-L136 HydrophobicContact CE-CD1 4.27Å; M132-L136 VanDerWaalsContact O-CB 3.31Å; M132-L136 WeakPolarHBondContact O-CB 3.33Å; M132-L136 VanDerWaalsContact O-CG 3.24Å; M132-L136 WeakPolarHBondContact O-CG 2.93Å; M132-L136 PolarHBondContact O-N 3.04Å; K133-L136 PolarHBondContact O-N 3.43Å; L136-L138 PolarHBondContact O-N 3.36Å; L136-L159 HydrophobicContact CD1-CD2 3.86Å; L136-L159 HydrophobicContact CD1-CG 4.21Å |
| 137 | K | 85.2 | Confident | 84.1 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 41% | 0.409 | 24% | 0.242 | S | C | . | . | trans | 50.5 | 31.1 | 173.8 | -59 | -172.2 | 176.5 | -179.3 | 0 | 115.1 | K133 D134 Y157 | K133-K137 PolarHBondContact O-N 3.04Å; D134-K137 WeakPolarHBondContact O-CE 3.47Å; D134-K137 WeakPolarHBondContact O-CG 3.36Å; K137-Y157 VanDerWaalsContact CA-CE1 3.47Å; K137-Y157 HydrophobicContact CB-CD1 4.04Å; K137-Y157 HydrophobicContact CB-CE1 3.57Å; K137-Y157 HydrophobicContact CB-CE2 4.25Å; K137-Y157 HydrophobicContact CG-CD2 4.45Å; K137-Y157 HydrophobicContact CG-CE1 4.06Å; K137-Y157 HydrophobicContact CG-CE2 3.85Å; K137-Y157 WeakPolarHBondContact O-CD1 3.11Å; K137-Y157 WeakPolarHBondContact O-CE1 3.21Å | ||
| 138 | L | 83.2 | Confident | 83.4 | Confident | 53 Ų | 53 | 43 Ų | 43 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -77.5 | 133.8 | -179.6 | -69.7 | -174.6 | 0 | 0 | 0 | 111.6 | L136 G158 L159 | L136-L138 PolarHBondContact O-N 3.36Å; L138-G158 PolarHBondContact O-N 3.21Å; L138-L159 HydrophobicContact CB-CB 4.07Å; L138-L159 HydrophobicContact CD1-CB 3.86Å; L138-L159 HydrophobicContact CD1-CD2 3.29Å; L138-L159 HydrophobicContact CD1-CG 4.16Å; L138-L159 HydrophobicContact CG-CB 4.42Å; L138-L159 HydrophobicContact CG-CD2 4.36Å |
| 139 | P | 81.5 | Confident | 82.5 | Confident | 92 Ų | 92 | 43.1 Ų | 43.1 | 60% | 0.597 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -70.9 | 149.9 | -179.2 | 30.2 | -35 | 0 | 0 | 0 | 111.5 | ||
| 140 | R | 82.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 159 | 170.4 | -71.9 | -174 | -174 | -97.3 | 6.2 | 111.2 | V153 E156 M209 H210 | R140-V153 PolarHBondContact NE-O 2.83Å; R140-V153 PolarHBondContact NH2-O 3.35Å; R140-E156 PolarHBondContact NE-O 2.96Å; R140-E156 IonicContact NH2-OE2 2.9Å; R140-M209 WeakPolarHBondContact CD-O 3.4Å; R140-M209 PolarHBondContact NH1-O 2.79Å; R140-H210 PolarHBondContact NH1-CE1 3.03Å; R140-H210 VanDerWaalsContact NH1-CE1 3.25Å; R140-H210 PolarHBondContact NH1-NE2 2.88Å |
| 141 | P | 80.3 | Confident | 79.9 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.7 | 177.9 | 22.2 | -33.8 | 0 | 0 | 0 | 111.8 | P11 V146 K148 | P11-P141 HydrophobicContact CB-CB 4.17Å; P141-V146 HydrophobicContact CB-CG2 4.26Å; P141-K148 WeakPolarHBondContact O-CE 3.38Å |
| 142 | P | 75.8 | Confident | 78.2 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 147.4 | -178.4 | 26.8 | -35.7 | 0 | 0 | 0 | 112.2 | P11 P144 V146 | P11-P142 HydrophobicContact CB-CG 4.13Å; P11-P142 HydrophobicContact CG-CG 3.89Å; P142-P144 CarbonylContact C-O 3.43Å; P142-P144 CarbonylContact O-C 3.43Å; P142-V146 PolarHBondContact O-N 3.13Å |
| 143 | S | 71.9 | Confident | 76.6 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 114.7 | 168.8 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | R25 V146 | R25-S143 PolarHBondContact NH1-OG 3.28Å; S143-V146 WeakPolarHBondContact CB-O 3.37Å; S143-V146 PolarHBondContact OG-O 2.88Å |
| 144 | P | 68.1 | Low | 75.2 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -71.3 | 158 | 2.4 | 4.6 | 8.6 | 0 | 0 | 0 | 114.6 | R25 P142 | R25-P144 VanDerWaalsContact NH1-CB 3.27Å; P142-P144 CarbonylContact C-O 3.43Å; P142-P144 CarbonylContact O-C 3.43Å |
| 145 | P | 76 | Confident | 73.8 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.2 | -14.5 | 10.3 | 34.2 | -35.8 | 0 | 0 | 0 | 116.1 | P11 A15 | P11-P145 HydrophobicContact CB-CG 4.15Å; P11-P145 HydrophobicContact CG-CG 4.45Å; A15-P145 HydrophobicContact CB-CB 4.22Å; A15-P145 HydrophobicContact CB-CG 4.32Å |
| 146 | V | 78.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -73.9 | 143.2 | -173.7 | 177.7 | 0 | 0 | 0 | 0 | 112 | P11 V14 A15 P141 P142 S143 | P11-V146 HydrophobicContact CB-CG2 3.92Å; P11-V146 WeakPolarHBondContact O-CG2 3.43Å; V14-V146 HydrophobicContact CB-CG2 3.92Å; V14-V146 HydrophobicContact CG1-CG1 3.89Å; V14-V146 HydrophobicContact CG1-CG2 4.07Å; A15-V146 HydrophobicContact CB-CG2 4.49Å; P141-V146 HydrophobicContact CB-CG2 4.26Å; P142-V146 PolarHBondContact O-N 3.13Å; S143-V146 WeakPolarHBondContact CB-O 3.37Å; S143-V146 PolarHBondContact OG-O 2.88Å |
| 147 | V | 79.4 | Confident | 72.8 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 120.3 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 109 | Q18 L23 R25 Y76 L149 | Q18-V147 PolarHBondContact NE2-O 2.84Å; L23-V147 HydrophobicContact CD2-CB 4.14Å; L23-V147 HydrophobicContact CD2-CG1 4.26Å; R25-V147 HydrophobicContact CB-CG2 3.69Å; R25-V147 HydrophobicContact CG-CG2 4.22Å; Y76-V147 HydrophobicContact CD1-CG1 4.27Å; Y76-V147 HydrophobicContact CG-CG1 4.21Å; V147-L149 HydrophobicContact CG1-CD2 4.13Å |
| 148 | K | 80.5 | Confident | 72.4 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -92.7 | 116.5 | 175.8 | -68.1 | -177.5 | 167.8 | -165.8 | 0 | 110.1 | P141 D154 M209 | P141-K148 WeakPolarHBondContact O-CE 3.38Å; K148-D154 VanDerWaalsContact CD-OD1 3.28Å; K148-D154 WeakPolarHBondContact CD-OD1 3.45Å; K148-D154 WeakPolarHBondContact CE-OD1 3.28Å; K148-D154 IonicContact NZ-OD1 3.79Å; K148-D154 PolarHBondContact NZ-OD1 2.72Å; K148-M209 HydrophobicContact CB-SD 4.47Å; K148-M209 HydrophobicContact CG-SD 4.49Å |
| 149 | L | 75.9 | Confident | 72.5 | Confident | 39 Ų | 39 | 37 Ų | 37 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -91.2 | -22.2 | 178.4 | -65 | 179.1 | 0 | 0 | 0 | 112.6 | L23 Y76 V147 Y206 T207 | L23-L149 HydrophobicContact CD2-CD1 4.05Å; L23-L149 HydrophobicContact CD2-CG 4.37Å; Y76-L149 HydrophobicContact CD1-CD2 4.21Å; Y76-L149 HydrophobicContact CD2-CD2 4.43Å; Y76-L149 HydrophobicContact CE1-CD2 3.94Å; Y76-L149 HydrophobicContact CE2-CD2 4.18Å; Y76-L149 HydrophobicContact CG-CD2 4.46Å; V147-L149 HydrophobicContact CG1-CD2 4.13Å; L149-Y206 HydrophobicContact CD1-CD1 3.97Å; L149-Y206 HydrophobicContact CD1-CE1 3.7Å; L149-T207 HydrophobicContact CB-CG2 4.35Å; L149-T207 HydrophobicContact CD1-CG2 4.45Å; L149-T207 PolarHBondContact N-O 3.04Å |
| 150 | E | 69.3 | Low | 72.9 | Confident | 25 Ų | 25 | 32.6 Ų | 32.6 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | trans | -115.8 | 114.8 | 178.2 | -70.9 | 171.8 | -153.5 | 0 | 0 | 110.4 | R204 M209 | E150-R204 IonicContact OE1-CZ 3.5Å; E150-R204 IonicContact OE1-NH1 3.98Å; E150-R204 PolarHBondContact OE1-NH1 3.16Å; E150-R204 IonicContact OE2-CZ 3.11Å; E150-R204 IonicContact OE2-NH1 3.84Å; E150-R204 PolarHBondContact OE2-NH1 3.47Å; E150-R204 IonicContact OE2-NH2 3.94Å; E150-R204 PolarHBondContact OE2-NH2 3Å; E150-M209 HydrophobicContact CB-CE 4.24Å; E150-M209 HydrophobicContact CB-CG 3.97Å; E150-M209 HydrophobicContact CB-SD 3.94Å; E150-M209 WeakPolarHBondContact O-CE 3.12Å | ||
| 151 | T | 60.5 | Low | 73.4 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 30% | 0.301 | 18% | 0.18 | S | C | . | . | trans | -96.2 | -12.6 | -179.6 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | V153 D154 | T151-V153 VanDerWaalsContact C-N 3.3Å; T151-V153 PolarHBondContact O-N 3.46Å; T151-D154 PolarHBondContact O-N 3.21Å | ||
| 152 | R | 56.3 | Low | 73.9 | Confident | 71 Ų | 71 | 31.3 Ų | 31.3 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -35.7 | -175.3 | 178 | 178.9 | 169.2 | -177.6 | -1.8 | 113.5 | D61 | D61-R152 IonicContact OD2-CZ 2.64Å; D61-R152 IonicContact OD2-NH1 3.94Å; D61-R152 PolarHBondContact OD2-NH1 3.05Å; D61-R152 IonicContact OD2-NH2 3.91Å |
| 153 | V | 56.5 | Low | 74.7 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 18 | -172.4 | -61.2 | 0 | 0 | 0 | 0 | 113 | R140 T151 A155 E156 M209 | R140-V153 PolarHBondContact NE-O 2.83Å; R140-V153 PolarHBondContact NH2-O 3.35Å; T151-V153 VanDerWaalsContact C-N 3.3Å; T151-V153 PolarHBondContact O-N 3.46Å; V153-A155 PolarHBondContact O-N 3.14Å; V153-E156 HydrophobicContact CB-CG 4.19Å; V153-E156 WeakPolarHBondContact O-CB 3.35Å; V153-E156 PolarHBondContact O-N 3.39Å; V153-M209 HydrophobicContact CG2-CE 3.36Å |
| 154 | D | 58.7 | Low | 75.8 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.1 | 178.8 | -93.7 | -27.9 | 0 | 0 | 0 | 113.5 | K148 T151 E156 | K148-D154 VanDerWaalsContact CD-OD1 3.28Å; K148-D154 WeakPolarHBondContact CD-OD1 3.45Å; K148-D154 WeakPolarHBondContact CE-OD1 3.28Å; K148-D154 IonicContact NZ-OD1 3.79Å; K148-D154 PolarHBondContact NZ-OD1 2.72Å; T151-D154 PolarHBondContact O-N 3.21Å; D154-E156 VanDerWaalsContact C-N 3.28Å |
| 155 | A | 57.5 | Low | 77.1 | Confident | 30 Ų | 30 | 22.6 Ų | 22.6 | 25% | 0.248 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y66 V153 | Y66-A155 HydrophobicContact CE2-CB 3.83Å; V153-A155 PolarHBondContact O-N 3.14Å |
| 156 | E | 71.1 | Confident | 78 | Confident | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.056 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -92.7 | 152.6 | 179.1 | -56.6 | -177 | 170.2 | 0 | 0 | 112 | K133 R140 V153 D154 T269 T270 | K133-E156 IonicContact NZ-OE2 3.76Å; R140-E156 PolarHBondContact NE-O 2.96Å; R140-E156 IonicContact NH2-OE2 2.9Å; V153-E156 HydrophobicContact CB-CG 4.19Å; V153-E156 WeakPolarHBondContact O-CB 3.35Å; V153-E156 PolarHBondContact O-N 3.39Å; D154-E156 VanDerWaalsContact C-N 3.28Å; E156-T269 PolarHBondContact OE1-OG1 2.88Å; E156-T270 HydrophobicContact CB-CG2 4.32Å; E156-T270 HydrophobicContact CG-CG2 3.91Å |
| 157 | Y | 79.6 | Confident | 78.8 | Confident | 38 Ų | 38 | 20.7 Ų | 20.7 | 15% | 0.149 | 11% | 0.107 | C | C | . | . | trans | -66.8 | 152.1 | 175 | -59.7 | -67.3 | 0 | 0 | 0 | 113.4 | K137 L264 | K137-Y157 VanDerWaalsContact CA-CE1 3.47Å; K137-Y157 HydrophobicContact CB-CD1 4.04Å; K137-Y157 HydrophobicContact CB-CE1 3.57Å; K137-Y157 HydrophobicContact CB-CE2 4.25Å; K137-Y157 HydrophobicContact CG-CD2 4.45Å; K137-Y157 HydrophobicContact CG-CE1 4.06Å; K137-Y157 HydrophobicContact CG-CE2 3.85Å; K137-Y157 WeakPolarHBondContact O-CD1 3.11Å; K137-Y157 WeakPolarHBondContact O-CE1 3.21Å; Y157-L264 HydrophobicContact CE2-CD1 4.12Å; Y157-L264 HydrophobicContact CE2-CD2 3.95Å | ||
| 158 | G | 77.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -84.2 | -44.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L138 P160 H210 | L138-G158 PolarHBondContact O-N 3.21Å; G158-P160 CarbonylContact O-C 3.57Å; G158-H210 PolarHBondContact O-CE1 3.35Å; G158-H210 PolarHBondContact O-ND1 2.79Å | ||
| 159 | L | 85.8 | Confident | 80.4 | Confident | 17 Ų | 17 | 18.7 Ų | 18.7 | 9% | 0.089 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -99.8 | 131.8 | -173.1 | -176.8 | 75.7 | 0 | 0 | 0 | 111.4 | K133 L136 L138 D214 C217 | K133-L159 VanDerWaalsContact CA-O 3.3Å; K133-L159 WeakPolarHBondContact CA-O 3.28Å; K133-L159 WeakPolarHBondContact CG-O 3.34Å; L136-L159 HydrophobicContact CD1-CD2 3.86Å; L136-L159 HydrophobicContact CD1-CG 4.21Å; L138-L159 HydrophobicContact CB-CB 4.07Å; L138-L159 HydrophobicContact CD1-CB 3.86Å; L138-L159 HydrophobicContact CD1-CD2 3.29Å; L138-L159 HydrophobicContact CD1-CG 4.16Å; L138-L159 HydrophobicContact CG-CB 4.42Å; L138-L159 HydrophobicContact CG-CD2 4.36Å; L159-D214 HydrophobicContact CD1-CB 4.37Å; L159-C217 HydrophobicContact CD1-CB 3.55Å |
| 160 | P | 89.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | cis | -82.2 | 160.1 | -11.1 | 32.8 | -36.4 | 0 | 0 | 0 | 113.7 | M132 K133 G158 T162 M165 I221 | M132-P160 HydrophobicContact CB-CG 4.17Å; K133-P160 WeakPolarHBondContact CE-O 3.36Å; G158-P160 CarbonylContact O-C 3.57Å; P160-T162 PolarHBondContact O-N 3.28Å; P160-M165 HydrophobicContact CB-SD 3.81Å; P160-M165 HydrophobicContact CG-CE 4.39Å; P160-M165 HydrophobicContact CG-SD 3.57Å; P160-M165 VanDerWaalsContact CG-SD 3.57Å; P160-I221 HydrophobicContact CB-CD1 3.84Å; P160-I221 HydrophobicContact CG-CD1 4Å |
| 161 | S | 91.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -70.2 | 99.8 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | H163 A164 M165 D214 | S161-H163 VanDerWaalsContact C-N 3.25Å; S161-H163 PolarHBondContact O-N 3.04Å; S161-A164 PolarHBondContact O-N 3.25Å; S161-A164 PolarHBondContact OG-N 2.87Å; S161-M165 VanDerWaalsContact O-CG 3.26Å; S161-M165 WeakPolarHBondContact O-CG 3.19Å; S161-M165 PolarHBondContact O-N 3.32Å; S161-D214 WeakPolarHBondContact CB-O 3.33Å; S161-D214 PolarHBondContact N-O 2.74Å | ||
| 162 | T | 91.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -29.1 | -180 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | Q130 K133 P160 M165 A166 | Q130-T162 HydrophobicContact CG-CG2 4.18Å; K133-T162 HydrophobicContact CD-CG2 4.1Å; K133-T162 PolarHBondContact NZ-OG1 2.94Å; P160-T162 PolarHBondContact O-N 3.28Å; T162-M165 PolarHBondContact O-N 3.17Å; T162-A166 WeakPolarHBondContact O-CB 3.34Å; T162-A166 PolarHBondContact O-N 2.68Å |
| 163 | H | 92.2 | Very high | 86.1 | Confident | 26 Ų | 26 | 14.2 Ų | 14.2 | 12% | 0.12 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.7 | -42.9 | 175.9 | -69.1 | 43.2 | 0 | 0 | 0 | 111.1 | G94 S161 M165 A166 A167 V200 R204 | G94-H163 PolarHBondContact O-CD2 3.48Å; G94-H163 PolarHBondContact O-NE2 2.86Å; S161-H163 VanDerWaalsContact C-N 3.25Å; S161-H163 PolarHBondContact O-N 3.04Å; H163-M165 VanDerWaalsContact C-N 3.32Å; H163-A166 PolarHBondContact O-N 3.1Å; H163-A167 WeakPolarHBondContact O-CB 3.4Å; H163-A167 PolarHBondContact O-N 3.5Å; H163-V200 HydrophobicContact CB-CG1 4.35Å; H163-R204 HydrophobicContact CB-CG 3.99Å |
| 164 | A | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S161 T168 V215 I219 | S161-A164 PolarHBondContact O-N 3.25Å; S161-A164 PolarHBondContact OG-N 2.87Å; A164-T168 VanDerWaalsContact O-CB 3.3Å; A164-T168 WeakPolarHBondContact O-CB 3.21Å; A164-T168 PolarHBondContact O-N 2.9Å; A164-T168 PolarHBondContact O-OG1 3.07Å; A164-V215 HydrophobicContact CB-CG1 4.2Å; A164-I219 HydrophobicContact CB-CG1 4.48Å |
| 165 | M | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.7 | -53.1 | 174.3 | -68.1 | 176.6 | 84.1 | 0 | 0 | 111.7 | V125 P160 S161 T162 H163 A167 T168 A169 G218 I221 T222 | V125-M165 HydrophobicContact CG1-CB 3.62Å; V125-M165 HydrophobicContact CG1-CE 3.99Å; P160-M165 HydrophobicContact CB-SD 3.81Å; P160-M165 HydrophobicContact CG-CE 4.39Å; P160-M165 HydrophobicContact CG-SD 3.57Å; P160-M165 VanDerWaalsContact CG-SD 3.57Å; S161-M165 VanDerWaalsContact O-CG 3.26Å; S161-M165 WeakPolarHBondContact O-CG 3.19Å; S161-M165 PolarHBondContact O-N 3.32Å; T162-M165 PolarHBondContact O-N 3.17Å; H163-M165 VanDerWaalsContact C-N 3.32Å; M165-A167 PolarHBondContact O-N 2.9Å; M165-T168 PolarHBondContact O-N 3.37Å; M165-A169 WeakPolarHBondContact O-CB 3.48Å; M165-A169 PolarHBondContact O-N 3.38Å; M165-G218 VanDerWaalsContact CG-O 3.31Å; M165-G218 WeakPolarHBondContact CG-O 3.16Å; M165-I221 HydrophobicContact CE-CB 4.13Å; M165-I221 HydrophobicContact CE-CG2 3.64Å; M165-T222 VanDerWaalsContact CA-OG1 3.22Å; M165-T222 WeakPolarHBondContact CA-OG1 3.48Å; M165-T222 WeakPolarHBondContact CB-OG1 3.42Å; M165-T222 WeakPolarHBondContact CG-OG1 3.47Å |
| 166 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y99 M126 T162 H163 T168 A169 I170 | Y99-A166 HydrophobicContact CE1-CB 4.47Å; Y99-A166 WeakPolarHBondContact OH-CB 3.33Å; M126-A166 HydrophobicContact CG-CB 4.41Å; M126-A166 HydrophobicContact SD-CB 3.8Å; T162-A166 WeakPolarHBondContact O-CB 3.34Å; T162-A166 PolarHBondContact O-N 2.68Å; H163-A166 PolarHBondContact O-N 3.1Å; A166-T168 VanDerWaalsContact C-N 3.34Å; A166-T168 PolarHBondContact O-N 2.9Å; A166-A169 PolarHBondContact O-N 2.66Å; A166-I170 WeakPolarHBondContact O-CB 3.04Å; A166-I170 VanDerWaalsContact O-CG1 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.47Å; A166-I170 PolarHBondContact O-N 3.14Å |
| 167 | A | 95.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 14.6 Ų | 14.6 | 9% | 0.091 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H163 M165 S171 V200 | H163-A167 WeakPolarHBondContact O-CB 3.4Å; H163-A167 PolarHBondContact O-N 3.5Å; M165-A167 PolarHBondContact O-N 2.9Å; A167-S171 VanDerWaalsContact O-CB 3.24Å; A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 3.13Å; A167-S171 PolarHBondContact O-OG 3.31Å; A167-S171 VanDerWaalsContact O-OG 3.06Å; A167-V200 HydrophobicContact CB-CB 3.63Å; A167-V200 HydrophobicContact CB-CG1 3.77Å; A167-V200 HydrophobicContact CB-CG2 3.95Å |
| 168 | T | 96.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | A164 M165 A166 F172 S197 I219 T222 | A164-T168 VanDerWaalsContact O-CB 3.3Å; A164-T168 WeakPolarHBondContact O-CB 3.21Å; A164-T168 PolarHBondContact O-N 2.9Å; A164-T168 PolarHBondContact O-OG1 3.07Å; M165-T168 PolarHBondContact O-N 3.37Å; A166-T168 VanDerWaalsContact C-N 3.34Å; A166-T168 PolarHBondContact O-N 2.9Å; T168-F172 HydrophobicContact CG2-CD2 3.75Å; T168-F172 HydrophobicContact CG2-CE2 4.11Å; T168-F172 WeakPolarHBondContact O-CB 3.19Å; T168-F172 WeakPolarHBondContact O-CD2 2.96Å; T168-F172 PolarHBondContact O-N 2.94Å; T168-S197 PolarHBondContact OG1-OG 3.42Å; T168-I219 HydrophobicContact CG2-CG2 4.38Å; T168-T222 HydrophobicContact CG2-CG2 3.95Å |
| 169 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.3 | -52.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V125 M165 A166 T173 T222 | V125-A169 HydrophobicContact CB-CB 4.11Å; V125-A169 HydrophobicContact CG1-CB 4.09Å; V125-A169 HydrophobicContact CG2-CB 3.9Å; M165-A169 WeakPolarHBondContact O-CB 3.48Å; M165-A169 PolarHBondContact O-N 3.38Å; A166-A169 PolarHBondContact O-N 2.66Å; A169-T173 WeakPolarHBondContact O-CB 3.26Å; A169-T173 PolarHBondContact O-N 3.23Å; A169-T173 PolarHBondContact O-OG1 2.91Å; A169-T222 HydrophobicContact CB-CG2 3.76Å |
| 170 | I | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 17.9 Ų | 17.9 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | -178 | -65.7 | 168.6 | 0 | 0 | 0 | 110.5 | Y99 L118 W122 A166 L174 | Y99-I170 HydrophobicContact CD1-CD1 3.92Å; Y99-I170 HydrophobicContact CE1-CD1 3.55Å; L118-I170 HydrophobicContact CD2-CB 4.41Å; L118-I170 HydrophobicContact CD2-CG2 4.1Å; L118-I170 WeakPolarHBondContact CD2-O 3.37Å; W122-I170 HydrophobicContact CB-CG1 4.34Å; W122-I170 HydrophobicContact CG-CD1 4.42Å; A166-I170 WeakPolarHBondContact O-CB 3.04Å; A166-I170 VanDerWaalsContact O-CG1 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.47Å; A166-I170 PolarHBondContact O-N 3.14Å; I170-L174 VanDerWaalsContact O-CB 3.3Å; I170-L174 WeakPolarHBondContact O-CB 3.49Å; I170-L174 PolarHBondContact O-N 3.05Å; I170-L174 VanDerWaalsContact O-N 3.07Å |
| 171 | S | 95.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | -177.5 | -67.3 | 0 | 0 | 0 | 0 | 113 | A167 L175 | A167-S171 VanDerWaalsContact O-CB 3.24Å; A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 3.13Å; A167-S171 PolarHBondContact O-OG 3.31Å; A167-S171 VanDerWaalsContact O-OG 3.06Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 2.83Å |
| 172 | F | 96.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 20 Ų | 20 | 25% | 0.246 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -79.3 | -33.5 | -177.4 | -77.6 | -87.4 | 0 | 0 | 0 | 112.9 | T168 L174 L175 L176 L190 I226 | T168-F172 HydrophobicContact CG2-CD2 3.75Å; T168-F172 HydrophobicContact CG2-CE2 4.11Å; T168-F172 WeakPolarHBondContact O-CB 3.19Å; T168-F172 WeakPolarHBondContact O-CD2 2.96Å; T168-F172 PolarHBondContact O-N 2.94Å; F172-L174 VanDerWaalsContact C-N 3.31Å; F172-L174 PolarHBondContact O-N 3.06Å; F172-L175 HydrophobicContact CD1-CD2 4.11Å; F172-L175 HydrophobicContact CE1-CD2 4.35Å; F172-L175 PolarHBondContact O-N 3.05Å; F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 VanDerWaalsContact O-CG 3.24Å; F172-L176 WeakPolarHBondContact O-CG 3.34Å; F172-L176 PolarHBondContact O-N 3.43Å; F172-L190 HydrophobicContact CE1-CD1 3.94Å; F172-I226 HydrophobicContact CB-CD1 3.84Å |
| 173 | T | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 172.1 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | R117 L118 M121 A169 S177 W233 | R117-T173 HydrophobicContact CB-CG2 4.14Å; L118-T173 HydrophobicContact CD2-CG2 3.91Å; L118-T173 HydrophobicContact CG-CG2 4.47Å; M121-T173 HydrophobicContact CB-CG2 4.11Å; M121-T173 HydrophobicContact CG-CG2 3.9Å; A169-T173 WeakPolarHBondContact O-CB 3.26Å; A169-T173 PolarHBondContact O-N 3.23Å; A169-T173 PolarHBondContact O-OG1 2.91Å; T173-S177 VanDerWaalsContact O-CB 3.24Å; T173-S177 WeakPolarHBondContact O-CB 3.34Å; T173-S177 PolarHBondContact O-N 3Å; T173-S177 PolarHBondContact O-OG 2.82Å; T173-W233 HydrophobicContact CG2-CH2 3.78Å; T173-W233 HydrophobicContact CG2-CZ2 4.29Å; T173-W233 HydrophobicContact CG2-CZ3 4.02Å |
| 174 | L | 94.6 | Very high | 92.9 | Very high | 51 Ų | 51 | 26.8 Ų | 26.8 | 27% | 0.267 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.6 | -49 | 173.5 | -177.3 | 60.2 | 0 | 0 | 0 | 110.8 | L110 L114 L118 I170 F172 L176 S177 A178 | L110-L174 HydrophobicContact CD2-CD1 4.29Å; L114-L174 HydrophobicContact CB-CD1 4.28Å; L114-L174 HydrophobicContact CD1-CD1 4.06Å; L118-L174 HydrophobicContact CD1-CB 4.47Å; L118-L174 HydrophobicContact CD1-CD1 4.27Å; L118-L174 HydrophobicContact CD2-CB 4.01Å; I170-L174 VanDerWaalsContact O-CB 3.3Å; I170-L174 WeakPolarHBondContact O-CB 3.49Å; I170-L174 PolarHBondContact O-N 3.05Å; I170-L174 VanDerWaalsContact O-N 3.07Å; F172-L174 VanDerWaalsContact C-N 3.31Å; F172-L174 PolarHBondContact O-N 3.06Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.18Å; L174-S177 PolarHBondContact O-N 3.07Å; L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 3.03Å |
| 175 | L | 95.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.9 | -43.4 | 178 | 174.9 | 62.5 | 0 | 0 | 0 | 112.8 | S171 F172 P179 F184 F186 G189 L190 A193 | S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 PolarHBondContact O-N 2.83Å; F172-L175 HydrophobicContact CD1-CD2 4.11Å; F172-L175 HydrophobicContact CE1-CD2 4.35Å; F172-L175 PolarHBondContact O-N 3.05Å; L175-P179 WeakPolarHBondContact O-CD 3.26Å; L175-F184 HydrophobicContact CD1-CE2 4.03Å; L175-F184 HydrophobicContact CD1-CZ 4.28Å; L175-F186 HydrophobicContact CD1-CD2 3.97Å; L175-F186 HydrophobicContact CD1-CE2 3.73Å; L175-F186 HydrophobicContact CD1-CZ 4.31Å; L175-F186 HydrophobicContact CD2-CE2 4.36Å; L175-F186 HydrophobicContact CD2-CZ 4.21Å; L175-F186 HydrophobicContact CG-CE2 3.84Å; L175-F186 HydrophobicContact CG-CZ 4.2Å; L175-G189 VanDerWaalsContact CD1-C 3.41Å; L175-L190 HydrophobicContact CD2-CB 4.12Å; L175-L190 HydrophobicContact CD2-CD1 3.74Å; L175-A193 HydrophobicContact CB-CB 4.23Å; L175-A193 HydrophobicContact CD2-CB 4.03Å |
| 176 | L | 95.1 | Very high | 92.5 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 30% | 0.298 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.1 | -26.6 | -177.2 | -67.8 | 174.3 | 0 | 0 | 0 | 112.8 | F172 L174 I226 Y230 W233 | F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 VanDerWaalsContact O-CG 3.24Å; F172-L176 WeakPolarHBondContact O-CG 3.34Å; F172-L176 PolarHBondContact O-N 3.43Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.18Å; L176-I226 HydrophobicContact CD1-CG2 3.72Å; L176-Y230 HydrophobicContact CB-CE2 4.13Å; L176-Y230 HydrophobicContact CD1-CD2 4.22Å; L176-Y230 HydrophobicContact CD1-CE2 4.37Å; L176-W233 HydrophobicContact CB-CH2 4.39Å; L176-W233 HydrophobicContact CB-CZ3 4.07Å; L176-W233 HydrophobicContact CD1-CH2 4.23Å |
| 177 | S | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -92.1 | -26.2 | -179.6 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | L114 R117 T173 L174 P179 S180 | L114-S177 VanDerWaalsContact CD2-C 3.47Å; L114-S177 WeakPolarHBondContact CD2-O 3.35Å; R117-S177 VanDerWaalsContact CD-OG 3.25Å; R117-S177 WeakPolarHBondContact CD-OG 3.3Å; T173-S177 VanDerWaalsContact O-CB 3.24Å; T173-S177 WeakPolarHBondContact O-CB 3.34Å; T173-S177 PolarHBondContact O-N 3Å; T173-S177 PolarHBondContact O-OG 2.82Å; L174-S177 PolarHBondContact O-N 3.07Å; S177-P179 VanDerWaalsContact C-CD 3.42Å; S177-S180 PolarHBondContact O-OG 3.09Å |
| 178 | A | 90.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -62 | -35.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L174 S180 R181 V182 F184 | L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 3.03Å; A178-S180 PolarHBondContact O-N 3.43Å; A178-S180 VanDerWaalsContact O-N 3.14Å; A178-R181 PolarHBondContact O-N 3.25Å; A178-V182 PolarHBondContact O-N 3.48Å; A178-F184 HydrophobicContact CB-CD1 4.35Å; A178-F184 HydrophobicContact CB-CE1 3.38Å; A178-F184 HydrophobicContact CB-CZ 3.79Å |
| 179 | P | 90 | Very high | 92.2 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -60.8 | -25.3 | -176 | -27.5 | 35.8 | 0 | 0 | 0 | 114.8 | L175 S177 R181 F184 F186 | L175-P179 WeakPolarHBondContact O-CD 3.26Å; S177-P179 VanDerWaalsContact C-CD 3.42Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 3.23Å; P179-F184 HydrophobicContact CG-CE1 4.09Å; P179-F184 HydrophobicContact CG-CZ 3.94Å; P179-F186 HydrophobicContact CG-CD2 4.42Å |
| 180 | S | 87.3 | Confident | 92.2 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -77.6 | -11.7 | 176.4 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | S177 A178 | S177-S180 PolarHBondContact O-OG 3.09Å; A178-S180 PolarHBondContact O-N 3.43Å; A178-S180 VanDerWaalsContact O-N 3.14Å |
| 181 | R | 86.7 | Confident | 92.2 | Very high | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -37.7 | -172.5 | -53.3 | -61.9 | -76.4 | -140.9 | -11.8 | 113.3 | D111 F113 L114 A178 P179 E299 P305 V306 | D111-R181 VanDerWaalsContact CG-NH2 3.32Å; D111-R181 IonicContact OD1-CZ 2.83Å; D111-R181 IonicContact OD1-NH2 3.81Å; D111-R181 PolarHBondContact OD1-NH2 3.22Å; D111-R181 WeakPolarHBondContact OD2-CG 3.41Å; D111-R181 IonicContact OD2-CZ 3.11Å; D111-R181 IonicContact OD2-NE 2.75Å; D111-R181 PolarHBondContact OD2-NE 3.06Å; D111-R181 IonicContact OD2-NH2 3.74Å; D111-R181 PolarHBondContact OD2-NH2 3.41Å; F113-R181 HydrophobicContact CD1-CG 3.66Å; F113-R181 HydrophobicContact CE1-CG 3.94Å; L114-R181 HydrophobicContact CD2-CG 4.24Å; L114-R181 HydrophobicContact CG-CG 4.46Å; A178-R181 PolarHBondContact O-N 3.25Å; P179-R181 VanDerWaalsContact C-N 3.26Å; P179-R181 PolarHBondContact O-N 3.23Å; R181-E299 IonicContact CZ-OE2 3.54Å; R181-E299 IonicContact NH1-OE2 3.33Å; R181-E299 PolarHBondContact NH1-OE2 3Å; R181-E299 IonicContact NH2-OE2 2.77Å; R181-E299 PolarHBondContact NH2-OE2 2.77Å; R181-P305 CarbonylContact O-C 3.59Å; R181-P305 WeakPolarHBondContact O-CA 3.32Å; R181-V306 PolarHBondContact O-N 3.48Å |
| 182 | V | 86.5 | Confident | 92.2 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.3 | -172.6 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | A178 F184 V306 L308 | A178-V182 PolarHBondContact O-N 3.48Å; V182-F184 VanDerWaalsContact O-CD1 3.3Å; V182-F184 WeakPolarHBondContact O-CD1 3.24Å; V182-V306 WeakPolarHBondContact CA-O 3.38Å; V182-L308 HydrophobicContact CG1-CD1 4.38Å; V182-L308 HydrophobicContact CG1-CD2 4.19Å; V182-L308 HydrophobicContact CG1-CG 3.7Å |
| 183 | Q | 85.7 | Confident | 92.2 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.4 | 173.1 | -60.9 | -178.8 | 6.4 | 0 | 0 | 110.1 | P305 V306 L308 | Q183-P305 HydrophobicContact CG-CB 3.79Å; Q183-P305 HydrophobicContact CG-CG 3.6Å; Q183-P305 PolarHBondContact NE2-O 3.38Å; Q183-V306 PolarHBondContact N-O 3.2Å; Q183-L308 WeakPolarHBondContact O-CD1 3.33Å |
| 184 | F | 87.7 | Confident | 92.2 | Very high | 63 Ų | 63 | 57.1 Ų | 57.1 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | trans | -151.9 | 161.6 | 173.5 | 66.6 | -80.6 | 0 | 0 | 0 | 110.5 | L175 A178 P179 V182 F186 L308 | L175-F184 HydrophobicContact CD1-CE2 4.03Å; L175-F184 HydrophobicContact CD1-CZ 4.28Å; A178-F184 HydrophobicContact CB-CD1 4.35Å; A178-F184 HydrophobicContact CB-CE1 3.38Å; A178-F184 HydrophobicContact CB-CZ 3.79Å; P179-F184 HydrophobicContact CG-CE1 4.09Å; P179-F184 HydrophobicContact CG-CZ 3.94Å; V182-F184 VanDerWaalsContact O-CD1 3.3Å; V182-F184 WeakPolarHBondContact O-CD1 3.24Å; F184-F186 PolarHBondContact O-N 2.9Å; F184-L308 HydrophobicContact CB-CD1 3.74Å | ||
| 185 | C | 91.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | trans | -70.6 | 112.6 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | Q187 T188 G189 | C185-Q187 PolarHBondContact O-N 3.11Å; C185-T188 WeakPolarHBondContact O-CB 3.5Å; C185-T188 PolarHBondContact O-N 3.07Å; C185-G189 PolarHBondContact O-N 3.03Å; C185-G189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | F | 91.8 | Very high | 92.1 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 45% | 0.447 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -54.7 | -38 | -177.6 | -175.9 | -98 | 0 | 0 | 0 | 112.8 | L175 P179 F184 T188 G189 L190 | L175-F186 HydrophobicContact CD1-CD2 3.97Å; L175-F186 HydrophobicContact CD1-CE2 3.73Å; L175-F186 HydrophobicContact CD1-CZ 4.31Å; L175-F186 HydrophobicContact CD2-CE2 4.36Å; L175-F186 HydrophobicContact CD2-CZ 4.21Å; L175-F186 HydrophobicContact CG-CE2 3.84Å; L175-F186 HydrophobicContact CG-CZ 4.2Å; P179-F186 HydrophobicContact CG-CD2 4.42Å; F184-F186 PolarHBondContact O-N 2.9Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.08Å; F186-G189 PolarHBondContact O-N 3.32Å; F186-L190 WeakPolarHBondContact O-CB 3.38Å; F186-L190 PolarHBondContact O-N 3.14Å |
| 187 | Q | 94.3 | Very high | 92.2 | Very high | 156 Ų | 156 | 59 Ų | 59 | 73% | 0.729 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | 177.1 | -64.6 | 175.4 | -14.6 | 0 | 0 | 112.3 | C185 L190 L191 | C185-Q187 PolarHBondContact O-N 3.11Å; Q187-L190 PolarHBondContact O-N 3.07Å; Q187-L191 PolarHBondContact O-N 3.13Å |
| 188 | T | 92.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 175 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | C185 F186 L190 L191 I192 | C185-T188 WeakPolarHBondContact O-CB 3.5Å; C185-T188 PolarHBondContact O-N 3.07Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.08Å; T188-L190 VanDerWaalsContact C-N 3.33Å; T188-L190 PolarHBondContact O-N 3Å; T188-L191 PolarHBondContact O-N 2.77Å; T188-I192 HydrophobicContact CG2-CD1 4.14Å; T188-I192 WeakPolarHBondContact O-CG1 3.46Å; T188-I192 PolarHBondContact O-N 3.18Å |
| 189 | G | 93.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L175 C185 F186 I192 A193 | L175-G189 VanDerWaalsContact CD1-C 3.41Å; C185-G189 PolarHBondContact O-N 3.03Å; C185-G189 VanDerWaalsContact O-N 3.09Å; F186-G189 PolarHBondContact O-N 3.32Å; G189-I192 PolarHBondContact O-N 2.98Å; G189-A193 WeakPolarHBondContact O-CB 3.39Å; G189-A193 PolarHBondContact O-N 3.3Å |
| 190 | L | 95.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.2 | 179.6 | 63.7 | 0 | 0 | 0 | 111.5 | F172 L175 F186 Q187 T188 A193 A194 | F172-L190 HydrophobicContact CE1-CD1 3.94Å; L175-L190 HydrophobicContact CD2-CB 4.12Å; L175-L190 HydrophobicContact CD2-CD1 3.74Å; F186-L190 WeakPolarHBondContact O-CB 3.38Å; F186-L190 PolarHBondContact O-N 3.14Å; Q187-L190 PolarHBondContact O-N 3.07Å; T188-L190 VanDerWaalsContact C-N 3.33Å; T188-L190 PolarHBondContact O-N 3Å; L190-A193 PolarHBondContact O-N 3.26Å; L190-A194 VanDerWaalsContact O-CB 3.27Å; L190-A194 WeakPolarHBondContact O-CB 3.45Å; L190-A194 PolarHBondContact O-N 3.03Å |
| 191 | L | 96.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 60% | 0.597 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 175.6 | -172.7 | 125.9 | 0 | 0 | 0 | 111.4 | Q187 T188 T195 | Q187-L191 PolarHBondContact O-N 3.13Å; T188-L191 PolarHBondContact O-N 2.77Å; L191-T195 WeakPolarHBondContact O-CB 3.45Å; L191-T195 WeakPolarHBondContact O-CG2 3.32Å; L191-T195 PolarHBondContact O-N 3.24Å; L191-T195 PolarHBondContact O-OG1 2.94Å |
| 192 | I | 94.8 | Very high | 93.2 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.6 | -66.6 | 166.1 | 0 | 0 | 0 | 111 | T188 G189 A194 T195 L196 | T188-I192 HydrophobicContact CG2-CD1 4.14Å; T188-I192 WeakPolarHBondContact O-CG1 3.46Å; T188-I192 PolarHBondContact O-N 3.18Å; G189-I192 PolarHBondContact O-N 2.98Å; I192-A194 PolarHBondContact O-N 2.51Å; I192-T195 WeakPolarHBondContact CA-OG1 3.49Å; I192-T195 PolarHBondContact O-N 3.12Å; I192-T195 PolarHBondContact O-OG1 3Å; I192-L196 HydrophobicContact CG2-CD1 3.86Å; I192-L196 HydrophobicContact CG2-CG 4.35Å; I192-L196 WeakPolarHBondContact O-CB 3.37Å; I192-L196 WeakPolarHBondContact O-CG 3.31Å; I192-L196 PolarHBondContact O-N 3.34Å |
| 193 | A | 95.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 G189 L190 S197 | L175-A193 HydrophobicContact CB-CB 4.23Å; L175-A193 HydrophobicContact CD2-CB 4.03Å; G189-A193 WeakPolarHBondContact O-CB 3.39Å; G189-A193 PolarHBondContact O-N 3.3Å; L190-A193 PolarHBondContact O-N 3.26Å; A193-S197 VanDerWaalsContact O-CB 3.31Å; A193-S197 WeakPolarHBondContact O-CB 3.32Å; A193-S197 PolarHBondContact O-N 3.24Å |
| 194 | A | 96.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L190 I192 S198 | L190-A194 VanDerWaalsContact O-CB 3.27Å; L190-A194 WeakPolarHBondContact O-CB 3.45Å; L190-A194 PolarHBondContact O-N 3.03Å; I192-A194 PolarHBondContact O-N 2.51Å; A194-S198 WeakPolarHBondContact O-CB 3.29Å; A194-S198 PolarHBondContact O-N 3.14Å; A194-S198 PolarHBondContact O-OG 2.83Å |
| 195 | T | 95.5 | Very high | 93.9 | Very high | 71 Ų | 71 | 52 Ų | 52 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | L191 I192 S198 L199 | L191-T195 WeakPolarHBondContact O-CB 3.45Å; L191-T195 WeakPolarHBondContact O-CG2 3.32Å; L191-T195 PolarHBondContact O-N 3.24Å; L191-T195 PolarHBondContact O-OG1 2.94Å; I192-T195 WeakPolarHBondContact CA-OG1 3.49Å; I192-T195 PolarHBondContact O-N 3.12Å; I192-T195 PolarHBondContact O-OG1 3Å; T195-S198 WeakPolarHBondContact CA-OG 3.34Å; T195-S198 PolarHBondContact O-N 2.91Å; T195-S198 PolarHBondContact O-OG 3.42Å; T195-L199 WeakPolarHBondContact O-CB 3.48Å; T195-L199 PolarHBondContact O-N 3.42Å |
| 196 | L | 94 | Very high | 93.8 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 176.9 | -69.8 | 175.2 | 0 | 0 | 0 | 112.4 | I192 L199 V200 | I192-L196 HydrophobicContact CG2-CD1 3.86Å; I192-L196 HydrophobicContact CG2-CG 4.35Å; I192-L196 WeakPolarHBondContact O-CB 3.37Å; I192-L196 WeakPolarHBondContact O-CG 3.31Å; I192-L196 PolarHBondContact O-N 3.34Å; L196-L199 PolarHBondContact O-N 2.95Å; L196-V200 PolarHBondContact O-N 2.92Å |
| 197 | S | 95.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.6 | 167.9 | 0 | 0 | 0 | 0 | 111.7 | T168 A193 S201 | T168-S197 PolarHBondContact OG1-OG 3.42Å; A193-S197 VanDerWaalsContact O-CB 3.31Å; A193-S197 WeakPolarHBondContact O-CB 3.32Å; A193-S197 PolarHBondContact O-N 3.24Å; S197-S201 VanDerWaalsContact O-CB 3.23Å; S197-S201 WeakPolarHBondContact O-CB 3.43Å; S197-S201 PolarHBondContact O-N 3.07Å; S197-S201 PolarHBondContact O-OG 2.7Å |
| 198 | S | 94.8 | Very high | 93 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | A194 T195 V200 S201 L202 | A194-S198 WeakPolarHBondContact O-CB 3.29Å; A194-S198 PolarHBondContact O-N 3.14Å; A194-S198 PolarHBondContact O-OG 2.83Å; T195-S198 WeakPolarHBondContact CA-OG 3.34Å; T195-S198 PolarHBondContact O-N 2.91Å; T195-S198 PolarHBondContact O-OG 3.42Å; S198-V200 PolarHBondContact O-N 3.47Å; S198-S201 PolarHBondContact O-N 2.86Å; S198-L202 WeakPolarHBondContact O-CB 3.47Å; S198-L202 VanDerWaalsContact O-CG 3.22Å; S198-L202 WeakPolarHBondContact O-CG 3.22Å; S198-L202 PolarHBondContact O-N 3.23Å |
| 199 | L | 94.5 | Very high | 92.6 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 179 | -166.6 | 71.6 | 0 | 0 | 0 | 111.5 | L86 S90 T195 L196 S203 | L86-L199 HydrophobicContact CD1-CD1 4.3Å; L86-L199 HydrophobicContact CD2-CD1 3.98Å; L86-L199 HydrophobicContact CG-CD1 4.04Å; S90-L199 WeakPolarHBondContact OG-CG 3.27Å; S90-L199 PolarHBondContact OG-O 3.32Å; T195-L199 WeakPolarHBondContact O-CB 3.48Å; T195-L199 PolarHBondContact O-N 3.42Å; L196-L199 PolarHBondContact O-N 2.95Å; L199-S203 PolarHBondContact O-N 3.49Å; L199-S203 VanDerWaalsContact O-N 3.12Å |
| 200 | V | 93.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72 | -36.6 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | S90 L93 H163 A167 L196 S198 S203 R204 | S90-V200 VanDerWaalsContact OG-CA 3.28Å; S90-V200 WeakPolarHBondContact OG-CA 3.31Å; S90-V200 PolarHBondContact OG-N 3.36Å; L93-V200 HydrophobicContact CB-CG2 4.02Å; L93-V200 HydrophobicContact CD1-CG2 4.16Å; H163-V200 HydrophobicContact CB-CG1 4.35Å; A167-V200 HydrophobicContact CB-CB 3.63Å; A167-V200 HydrophobicContact CB-CG1 3.77Å; A167-V200 HydrophobicContact CB-CG2 3.95Å; L196-V200 PolarHBondContact O-N 2.92Å; S198-V200 PolarHBondContact O-N 3.47Å; V200-S203 PolarHBondContact O-N 3.02Å; V200-S203 PolarHBondContact O-OG 3.13Å; V200-R204 PolarHBondContact O-N 3.32Å |
| 201 | S | 94 | Very high | 92.1 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 176.6 | -65 | 0 | 0 | 0 | 0 | 112.2 | S197 S198 S203 R204 | S197-S201 VanDerWaalsContact O-CB 3.23Å; S197-S201 WeakPolarHBondContact O-CB 3.43Å; S197-S201 PolarHBondContact O-N 3.07Å; S197-S201 PolarHBondContact O-OG 2.7Å; S198-S201 PolarHBondContact O-N 2.86Å; S201-S203 VanDerWaalsContact C-N 3.34Å; S201-R204 PolarHBondContact O-N 3Å |
| 202 | L | 93.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 25.5 Ų | 25.5 | 35% | 0.346 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.9 | -30.2 | 178.4 | -69 | 174.5 | 0 | 0 | 0 | 112.4 | F17 F87 S198 R204 L205 Y206 | F17-L202 HydrophobicContact CE2-CD2 4.16Å; F17-L202 HydrophobicContact CZ-CB 4.16Å; F17-L202 HydrophobicContact CZ-CD2 4.03Å; F87-L202 HydrophobicContact CE1-CB 3.8Å; S198-L202 WeakPolarHBondContact O-CB 3.47Å; S198-L202 VanDerWaalsContact O-CG 3.22Å; S198-L202 WeakPolarHBondContact O-CG 3.22Å; S198-L202 PolarHBondContact O-N 3.23Å; L202-R204 VanDerWaalsContact C-N 3.27Å; L202-R204 PolarHBondContact O-N 3.11Å; L202-L205 HydrophobicContact CD2-CD1 4.16Å; L202-L205 WeakPolarHBondContact O-CB 3.08Å; L202-L205 PolarHBondContact O-N 2.75Å; L202-Y206 PolarHBondContact O-N 3.32Å |
| 203 | S | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -32.9 | 176.7 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | F87 S90 A91 L199 V200 S201 L205 Y206 T207 | F87-S203 VanDerWaalsContact O-CB 3.29Å; F87-S203 WeakPolarHBondContact O-CB 3.34Å; S90-S203 WeakPolarHBondContact OG-CB 3.48Å; S90-S203 PolarHBondContact OG-OG 3.1Å; A91-S203 WeakPolarHBondContact CA-OG 3.39Å; A91-S203 PolarHBondContact N-OG 3.39Å; L199-S203 PolarHBondContact O-N 3.49Å; L199-S203 VanDerWaalsContact O-N 3.12Å; V200-S203 PolarHBondContact O-N 3.02Å; V200-S203 PolarHBondContact O-OG 3.13Å; S201-S203 VanDerWaalsContact C-N 3.34Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.9Å; S203-Y206 WeakPolarHBondContact O-CB 3.28Å; S203-Y206 PolarHBondContact O-N 3.47Å; S203-T207 WeakPolarHBondContact O-CG2 2.89Å; S203-T207 PolarHBondContact O-N 3.28Å; S203-T207 PolarHBondContact O-OG1 2.99Å |
| 204 | R | 91.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -31.5 | 174.6 | -58.7 | -46.3 | -66.9 | 163.2 | 1.7 | 114 | E150 H163 V200 S201 L202 T207 M209 H210 V215 | E150-R204 IonicContact OE1-CZ 3.5Å; E150-R204 IonicContact OE1-NH1 3.98Å; E150-R204 PolarHBondContact OE1-NH1 3.16Å; E150-R204 IonicContact OE2-CZ 3.11Å; E150-R204 IonicContact OE2-NH1 3.84Å; E150-R204 PolarHBondContact OE2-NH1 3.47Å; E150-R204 IonicContact OE2-NH2 3.94Å; E150-R204 PolarHBondContact OE2-NH2 3Å; H163-R204 HydrophobicContact CB-CG 3.99Å; V200-R204 PolarHBondContact O-N 3.32Å; S201-R204 PolarHBondContact O-N 3Å; L202-R204 VanDerWaalsContact C-N 3.27Å; L202-R204 PolarHBondContact O-N 3.11Å; R204-T207 PolarHBondContact O-OG1 3.49Å; R204-M209 VanDerWaalsContact NH2-CB 3.31Å; R204-M209 PolarHBondContact O-N 2.89Å; R204-H210 HydrophobicContact CB-CB 4.18Å; R204-H210 PolarHBondContact NE-CD2 3.21Å; R204-H210 PolarHBondContact O-N 2.94Å; R204-V215 HydrophobicContact CB-CG2 4.39Å |
| 205 | L | 90.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.073 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.3 | -42.2 | 171 | -57.1 | -179.9 | 0 | 0 | 0 | 110 | V14 F17 L202 S203 T207 G208 H210 S211 V212 V215 | V14-L205 WeakPolarHBondContact CG1-O 3.49Å; V14-L205 HydrophobicContact CG2-CD2 4.46Å; F17-L205 HydrophobicContact CD1-CB 3.71Å; F17-L205 HydrophobicContact CE1-CB 3.86Å; L202-L205 HydrophobicContact CD2-CD1 4.16Å; L202-L205 WeakPolarHBondContact O-CB 3.08Å; L202-L205 PolarHBondContact O-N 2.75Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 2.9Å; L205-T207 PolarHBondContact O-N 3.38Å; L205-G208 PolarHBondContact O-N 3.08Å; L205-G208 VanDerWaalsContact O-N 3.15Å; L205-H210 WeakPolarHBondContact CD2-O 3.4Å; L205-S211 WeakPolarHBondContact CD2-O 3.41Å; L205-V212 HydrophobicContact CD1-CG2 4.25Å; L205-V212 HydrophobicContact CD2-CG2 4.13Å; L205-V215 HydrophobicContact CD2-CG2 3.93Å; L205-V215 HydrophobicContact CG-CG2 4.32Å |
| 206 | Y | 89 | Confident | 91.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 179.2 | -173.6 | -98.4 | 0 | 0 | 0 | 112.6 | Q18 C21 L23 H84 F87 L149 L202 S203 G208 | Q18-Y206 PolarHBondContact NE2-O 3.22Å; C21-Y206 HydrophobicContact CB-CD2 3.64Å; C21-Y206 HydrophobicContact CB-CE2 3.47Å; C21-Y206 VanDerWaalsContact CB-CE2 3.47Å; L23-Y206 HydrophobicContact CB-CE2 3.94Å; L23-Y206 HydrophobicContact CD2-CE1 4.42Å; L23-Y206 HydrophobicContact CD2-CE2 4.33Å; H84-Y206 WeakPolarHBondContact CA-OH 3.31Å; H84-Y206 WeakPolarHBondContact CB-OH 3.39Å; H84-Y206 AromaticContact ND1-CE1 3.55Å; H84-Y206 AromaticContact ND1-CZ 3.6Å; H84-Y206 PolarHBondContact ND1-OH 2.95Å; F87-Y206 HydrophobicContact CB-CD1 3.41Å; F87-Y206 VanDerWaalsContact CB-CD1 3.41Å; F87-Y206 HydrophobicContact CB-CD2 4.37Å; F87-Y206 HydrophobicContact CB-CE1 4.04Å; F87-Y206 HydrophobicContact CB-CG 3.6Å; F87-Y206 HydrophobicContact CD2-CD1 4.09Å; F87-Y206 AromaticContact CD2-CD2 3.47Å; F87-Y206 HydrophobicContact CD2-CD2 3.47Å; F87-Y206 VanDerWaalsContact CD2-CD2 3.47Å; F87-Y206 HydrophobicContact CD2-CE1 4.49Å; F87-Y206 AromaticContact CD2-CE2 3.95Å; F87-Y206 HydrophobicContact CD2-CE2 3.95Å; F87-Y206 AromaticContact CD2-CG 3.55Å; F87-Y206 HydrophobicContact CD2-CG 3.55Å; F87-Y206 HydrophobicContact CE2-CD2 4.04Å; F87-Y206 HydrophobicContact CE2-CG 4.41Å; F87-Y206 HydrophobicContact CG-CD1 4.05Å; F87-Y206 HydrophobicContact CG-CD2 4.12Å; F87-Y206 AromaticContact CG-CG 3.7Å; F87-Y206 HydrophobicContact CG-CG 3.7Å; L149-Y206 HydrophobicContact CD1-CD1 3.97Å; L149-Y206 HydrophobicContact CD1-CE1 3.7Å; L202-Y206 PolarHBondContact O-N 3.32Å; S203-Y206 WeakPolarHBondContact O-CB 3.28Å; S203-Y206 PolarHBondContact O-N 3.47Å; Y206-G208 PolarHBondContact O-N 2.96Å |
| 207 | T | 86.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5.9 | 177.8 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | A91 L149 S203 R204 L205 M209 | A91-T207 HydrophobicContact CB-CG2 3.96Å; L149-T207 HydrophobicContact CB-CG2 4.35Å; L149-T207 HydrophobicContact CD1-CG2 4.45Å; L149-T207 PolarHBondContact N-O 3.04Å; S203-T207 WeakPolarHBondContact O-CG2 2.89Å; S203-T207 PolarHBondContact O-N 3.28Å; S203-T207 PolarHBondContact O-OG1 2.99Å; R204-T207 PolarHBondContact O-OG1 3.49Å; L205-T207 PolarHBondContact O-N 3.38Å; T207-M209 VanDerWaalsContact C-N 3.27Å; T207-M209 PolarHBondContact O-N 3.24Å; T207-M209 WeakPolarHBondContact OG1-CG 3.19Å |
| 208 | G | 83 | Confident | 91.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 18 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | L205 Y206 | L205-G208 PolarHBondContact O-N 3.08Å; L205-G208 VanDerWaalsContact O-N 3.15Å; Y206-G208 PolarHBondContact O-N 2.96Å |
| 209 | M | 83.7 | Confident | 91.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -90.5 | -23.1 | -171.9 | -64.4 | -47.5 | -72.6 | 0 | 0 | 113.4 | R140 K148 E150 V153 R204 T207 | R140-M209 WeakPolarHBondContact CD-O 3.4Å; R140-M209 PolarHBondContact NH1-O 2.79Å; K148-M209 HydrophobicContact CB-SD 4.47Å; K148-M209 HydrophobicContact CG-SD 4.49Å; E150-M209 HydrophobicContact CB-CE 4.24Å; E150-M209 HydrophobicContact CB-CG 3.97Å; E150-M209 HydrophobicContact CB-SD 3.94Å; E150-M209 WeakPolarHBondContact O-CE 3.12Å; V153-M209 HydrophobicContact CG2-CE 3.36Å; R204-M209 VanDerWaalsContact NH2-CB 3.31Å; R204-M209 PolarHBondContact O-N 2.89Å; T207-M209 VanDerWaalsContact C-N 3.27Å; T207-M209 PolarHBondContact O-N 3.24Å; T207-M209 WeakPolarHBondContact OG1-CG 3.19Å | ||
| 210 | H | 88.5 | Confident | 91.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -137.8 | 150 | -174.9 | -72.5 | -77.4 | 0 | 0 | 0 | 111.2 | R140 G158 R204 L205 D214 V215 | R140-H210 PolarHBondContact NH1-CE1 3.03Å; R140-H210 VanDerWaalsContact NH1-CE1 3.25Å; R140-H210 PolarHBondContact NH1-NE2 2.88Å; G158-H210 PolarHBondContact O-CE1 3.35Å; G158-H210 PolarHBondContact O-ND1 2.79Å; R204-H210 HydrophobicContact CB-CB 4.18Å; R204-H210 PolarHBondContact NE-CD2 3.21Å; R204-H210 PolarHBondContact O-N 2.94Å; L205-H210 WeakPolarHBondContact CD2-O 3.4Å; H210-D214 WeakPolarHBondContact CA-OD2 3.44Å; H210-D214 HydrophobicContact CB-CB 3.9Å; H210-D214 IonicContact CG-OD2 2.79Å; H210-D214 IonicContact ND1-OD2 2.79Å; H210-D214 PolarHBondContact ND1-OD2 3.11Å; H210-V215 HydrophobicContact CB-CG2 4.26Å |
| 211 | S | 90.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -77.1 | 168.6 | 168.9 | 76.7 | 0 | 0 | 0 | 0 | 111.3 | L205 L213 D214 V215 | L205-S211 WeakPolarHBondContact CD2-O 3.41Å; S211-L213 VanDerWaalsContact C-N 3.26Å; S211-L213 PolarHBondContact O-N 3.24Å; S211-L213 PolarHBondContact OG-N 2.64Å; S211-D214 PolarHBondContact N-OD2 2.94Å; S211-D214 PolarHBondContact O-N 2.77Å; S211-D214 PolarHBondContact OG-N 2.86Å; S211-D214 VanDerWaalsContact OG-N 3.08Å; S211-D214 PolarHBondContact OG-OD1 3.39Å; S211-D214 PolarHBondContact OG-OD2 2.84Å; S211-V215 PolarHBondContact O-N 3.06Å | ||
| 212 | V | 91.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.9 | -36.9 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | L8 L13 L205 D214 V215 A216 | L8-V212 HydrophobicContact CD2-CB 4.39Å; L8-V212 HydrophobicContact CD2-CG1 3.93Å; L8-V212 PolarHBondContact O-N 3.36Å; L13-V212 HydrophobicContact CB-CG2 4.24Å; L13-V212 HydrophobicContact CD1-CG2 4.34Å; L205-V212 HydrophobicContact CD1-CG2 4.25Å; L205-V212 HydrophobicContact CD2-CG2 4.13Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.97Å; V212-V215 PolarHBondContact O-N 3.08Å; V212-A216 WeakPolarHBondContact O-CB 3.47Å; V212-A216 PolarHBondContact O-N 3.14Å |
| 213 | L | 90.9 | Very high | 92 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.1 | -173.2 | 65.4 | 0 | 0 | 0 | 111.6 | L8 Q9 S211 V215 A216 C217 | L8-L213 HydrophobicContact CB-CB 3.88Å; L8-L213 HydrophobicContact CB-CD1 4.22Å; L8-L213 HydrophobicContact CD1-CD1 4.19Å; L8-L213 PolarHBondContact O-N 2.89Å; L8-L213 VanDerWaalsContact O-N 3.14Å; Q9-L213 HydrophobicContact CB-CD2 4.24Å; S211-L213 VanDerWaalsContact C-N 3.26Å; S211-L213 PolarHBondContact O-N 3.24Å; S211-L213 PolarHBondContact OG-N 2.64Å; L213-V215 VanDerWaalsContact C-N 3.28Å; L213-V215 PolarHBondContact O-N 3.32Å; L213-A216 PolarHBondContact O-N 2.92Å; L213-C217 WeakPolarHBondContact O-CB 3.35Å; L213-C217 PolarHBondContact O-N 2.76Å; L213-C217 PolarHBondContact O-SG 3.31Å |
| 214 | D | 92.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | -179.3 | -59 | -11.6 | 0 | 0 | 0 | 112.5 | L159 S161 H210 S211 V212 G218 | L159-D214 HydrophobicContact CD1-CB 4.37Å; S161-D214 WeakPolarHBondContact CB-O 3.33Å; S161-D214 PolarHBondContact N-O 2.74Å; H210-D214 WeakPolarHBondContact CA-OD2 3.44Å; H210-D214 HydrophobicContact CB-CB 3.9Å; H210-D214 IonicContact CG-OD2 2.79Å; H210-D214 IonicContact ND1-OD2 2.79Å; H210-D214 PolarHBondContact ND1-OD2 3.11Å; S211-D214 PolarHBondContact N-OD2 2.94Å; S211-D214 PolarHBondContact O-N 2.77Å; S211-D214 PolarHBondContact OG-N 2.86Å; S211-D214 VanDerWaalsContact OG-N 3.08Å; S211-D214 PolarHBondContact OG-OD1 3.39Å; S211-D214 PolarHBondContact OG-OD2 2.84Å; V212-D214 VanDerWaalsContact C-N 3.34Å; V212-D214 PolarHBondContact O-N 2.97Å; D214-G218 PolarHBondContact O-N 3.13Å; D214-G218 VanDerWaalsContact O-N 3.13Å |
| 215 | V | 93.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 7% | 0.067 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.6 | -48 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A164 R204 L205 H210 S211 V212 L213 C217 G218 I219 | A164-V215 HydrophobicContact CB-CG1 4.2Å; R204-V215 HydrophobicContact CB-CG2 4.39Å; L205-V215 HydrophobicContact CD2-CG2 3.93Å; L205-V215 HydrophobicContact CG-CG2 4.32Å; H210-V215 HydrophobicContact CB-CG2 4.26Å; S211-V215 PolarHBondContact O-N 3.06Å; V212-V215 PolarHBondContact O-N 3.08Å; L213-V215 VanDerWaalsContact C-N 3.28Å; L213-V215 PolarHBondContact O-N 3.32Å; V215-C217 PolarHBondContact O-N 2.87Å; V215-G218 PolarHBondContact O-N 3.05Å; V215-I219 HydrophobicContact CG1-CD1 3.99Å; V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 2.97Å |
| 216 | A | 94.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 25.1 Ų | 25.1 | 38% | 0.38 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | V212 L213 G218 I219 L220 | V212-A216 WeakPolarHBondContact O-CB 3.47Å; V212-A216 PolarHBondContact O-N 3.14Å; L213-A216 PolarHBondContact O-N 2.92Å; A216-G218 PolarHBondContact O-N 2.95Å; A216-I219 PolarHBondContact O-N 2.85Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 3.35Å |
| 217 | C | 94 | Very high | 93.2 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 24% | 0.236 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 175 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | L159 L213 V215 I219 L220 I221 | L159-C217 HydrophobicContact CD1-CB 3.55Å; L213-C217 WeakPolarHBondContact O-CB 3.35Å; L213-C217 PolarHBondContact O-N 2.76Å; L213-C217 PolarHBondContact O-SG 3.31Å; V215-C217 PolarHBondContact O-N 2.87Å; C217-I219 PolarHBondContact O-N 2.96Å; C217-L220 PolarHBondContact O-N 3.21Å; C217-I221 HydrophobicContact CB-CD1 4.47Å; C217-I221 WeakPolarHBondContact O-CB 3.45Å; C217-I221 VanDerWaalsContact O-CD1 3.3Å; C217-I221 WeakPolarHBondContact O-CD1 3.38Å; C217-I221 WeakPolarHBondContact O-CG1 3.44Å; C217-I221 PolarHBondContact O-N 3.19Å |
| 218 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | M165 D214 V215 A216 T222 | M165-G218 VanDerWaalsContact CG-O 3.31Å; M165-G218 WeakPolarHBondContact CG-O 3.16Å; D214-G218 PolarHBondContact O-N 3.13Å; D214-G218 VanDerWaalsContact O-N 3.13Å; V215-G218 PolarHBondContact O-N 3.05Å; A216-G218 PolarHBondContact O-N 2.95Å; G218-T222 WeakPolarHBondContact O-CB 3.08Å; G218-T222 PolarHBondContact O-N 3.31Å; G218-T222 VanDerWaalsContact O-N 3.07Å; G218-T222 PolarHBondContact O-OG1 3.47Å |
| 219 | I | 96.3 | Very high | 94.3 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.4 | -65.2 | 166.8 | 0 | 0 | 0 | 110.4 | A164 T168 V215 A216 C217 T222 A223 | A164-I219 HydrophobicContact CB-CG1 4.48Å; T168-I219 HydrophobicContact CG2-CG2 4.38Å; V215-I219 HydrophobicContact CG1-CD1 3.99Å; V215-I219 WeakPolarHBondContact O-CG1 3.44Å; V215-I219 PolarHBondContact O-N 2.97Å; A216-I219 PolarHBondContact O-N 2.85Å; C217-I219 PolarHBondContact O-N 2.96Å; I219-T222 PolarHBondContact O-N 3.45Å; I219-A223 WeakPolarHBondContact O-CB 3.25Å; I219-A223 PolarHBondContact O-N 3.37Å |
| 220 | L | 96.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 43.9 Ų | 43.9 | 59% | 0.586 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.5 | -48.2 | -178.8 | -179 | 62.6 | 0 | 0 | 0 | 112.3 | A216 C217 T222 A223 V224 | A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 3.35Å; C217-L220 PolarHBondContact O-N 3.21Å; L220-T222 VanDerWaalsContact C-N 3.26Å; L220-T222 PolarHBondContact O-N 2.66Å; L220-A223 PolarHBondContact O-N 2.85Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.44Å |
| 221 | I | 96.4 | Very high | 95.3 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.169 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 177.8 | -67.1 | 158.6 | 0 | 0 | 0 | 109.8 | M132 P160 M165 C217 V224 L225 | M132-I221 HydrophobicContact CE-CD1 3.44Å; M132-I221 VanDerWaalsContact CE-CD1 3.44Å; M132-I221 HydrophobicContact CE-CG1 4.18Å; M132-I221 HydrophobicContact SD-CD1 3.84Å; M132-I221 HydrophobicContact SD-CG1 4.43Å; M132-I221 HydrophobicContact SD-CG2 4.1Å; P160-I221 HydrophobicContact CB-CD1 3.84Å; P160-I221 HydrophobicContact CG-CD1 4Å; M165-I221 HydrophobicContact CE-CB 4.13Å; M165-I221 HydrophobicContact CE-CG2 3.64Å; C217-I221 HydrophobicContact CB-CD1 4.47Å; C217-I221 WeakPolarHBondContact O-CB 3.45Å; C217-I221 VanDerWaalsContact O-CD1 3.3Å; C217-I221 WeakPolarHBondContact O-CD1 3.38Å; C217-I221 WeakPolarHBondContact O-CG1 3.44Å; C217-I221 PolarHBondContact O-N 3.19Å; I221-V224 PolarHBondContact O-N 2.89Å; I221-L225 HydrophobicContact CG2-CD1 4.02Å; I221-L225 HydrophobicContact CG2-CG 4.37Å; I221-L225 WeakPolarHBondContact O-CG 3.28Å; I221-L225 PolarHBondContact O-N 2.93Å |
| 222 | T | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 112 | V125 M165 T168 A169 G218 I219 L220 V224 L225 I226 | V125-T222 HydrophobicContact CG1-CG2 4.12Å; V125-T222 HydrophobicContact CG2-CG2 4.16Å; M165-T222 VanDerWaalsContact CA-OG1 3.22Å; M165-T222 WeakPolarHBondContact CA-OG1 3.48Å; M165-T222 WeakPolarHBondContact CB-OG1 3.42Å; M165-T222 WeakPolarHBondContact CG-OG1 3.47Å; T168-T222 HydrophobicContact CG2-CG2 3.95Å; A169-T222 HydrophobicContact CB-CG2 3.76Å; G218-T222 WeakPolarHBondContact O-CB 3.08Å; G218-T222 PolarHBondContact O-N 3.31Å; G218-T222 VanDerWaalsContact O-N 3.07Å; G218-T222 PolarHBondContact O-OG1 3.47Å; I219-T222 PolarHBondContact O-N 3.45Å; L220-T222 VanDerWaalsContact C-N 3.26Å; L220-T222 PolarHBondContact O-N 2.66Å; T222-V224 VanDerWaalsContact C-N 3.31Å; T222-V224 PolarHBondContact O-N 2.59Å; T222-L225 PolarHBondContact O-N 2.82Å; T222-I226 HydrophobicContact CG2-CD1 4.08Å; T222-I226 HydrophobicContact CG2-CG1 4.48Å; T222-I226 WeakPolarHBondContact O-CG1 3.45Å; T222-I226 PolarHBondContact O-N 3.44Å |
| 223 | A | 97.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 53 Ų | 53 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I219 L220 I226 L227 | I219-A223 WeakPolarHBondContact O-CB 3.25Å; I219-A223 PolarHBondContact O-N 3.37Å; L220-A223 PolarHBondContact O-N 2.85Å; A223-I226 PolarHBondContact O-N 3.18Å; A223-L227 WeakPolarHBondContact O-CB 3.33Å; A223-L227 PolarHBondContact O-N 3.28Å |
| 224 | V | 97.7 | Very high | 95.8 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 42% | 0.418 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L220 I221 T222 I226 L227 L228 | L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.44Å; I221-V224 PolarHBondContact O-N 2.89Å; T222-V224 VanDerWaalsContact C-N 3.31Å; T222-V224 PolarHBondContact O-N 2.59Å; V224-I226 PolarHBondContact O-N 3.03Å; V224-L227 PolarHBondContact O-N 3.24Å; V224-L228 HydrophobicContact CG1-CD1 3.78Å; V224-L228 HydrophobicContact CG1-CG 4.24Å; V224-L228 WeakPolarHBondContact O-CB 3.48Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.04Å |
| 225 | L | 97.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.6 | -72.6 | 174.2 | 0 | 0 | 0 | 112.2 | V125 V128 I221 T222 T229 | V125-L225 HydrophobicContact CB-CD1 4.46Å; V125-L225 HydrophobicContact CG2-CB 4.35Å; V125-L225 HydrophobicContact CG2-CD1 3.89Å; V128-L225 HydrophobicContact CB-CD1 4.13Å; V128-L225 HydrophobicContact CG1-CD1 4.09Å; V128-L225 HydrophobicContact CG2-CD1 4.38Å; I221-L225 HydrophobicContact CG2-CD1 4.02Å; I221-L225 HydrophobicContact CG2-CG 4.37Å; I221-L225 WeakPolarHBondContact O-CG 3.28Å; I221-L225 PolarHBondContact O-N 2.93Å; T222-L225 PolarHBondContact O-N 2.82Å; L225-T229 WeakPolarHBondContact O-CB 3.26Å; L225-T229 VanDerWaalsContact O-CG2 3.32Å; L225-T229 WeakPolarHBondContact O-CG2 3.34Å; L225-T229 PolarHBondContact O-N 3.29Å; L225-T229 PolarHBondContact O-OG1 3.34Å |
| 226 | I | 97.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 173.9 | -70.2 | 169 | 0 | 0 | 0 | 109.7 | M121 F172 L176 T222 A223 V224 L228 T229 Y230 W233 | M121-I226 HydrophobicContact CE-CG1 3.79Å; F172-I226 HydrophobicContact CB-CD1 3.84Å; L176-I226 HydrophobicContact CD1-CG2 3.72Å; T222-I226 HydrophobicContact CG2-CD1 4.08Å; T222-I226 HydrophobicContact CG2-CG1 4.48Å; T222-I226 WeakPolarHBondContact O-CG1 3.45Å; T222-I226 PolarHBondContact O-N 3.44Å; A223-I226 PolarHBondContact O-N 3.18Å; V224-I226 PolarHBondContact O-N 3.03Å; I226-L228 VanDerWaalsContact C-N 3.3Å; I226-L228 PolarHBondContact O-N 2.96Å; I226-T229 PolarHBondContact O-N 3.42Å; I226-T229 PolarHBondContact O-OG1 3.46Å; I226-Y230 WeakPolarHBondContact O-CB 3.47Å; I226-Y230 PolarHBondContact O-N 3.4Å; I226-W233 HydrophobicContact CG2-CH2 4.2Å; I226-W233 HydrophobicContact CG2-CZ2 4.12Å |
| 227 | L | 96.8 | Very high | 95.8 | Very high | 134 Ų | 134 | 63.7 Ų | 63.7 | 70% | 0.702 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.9 | -42.6 | -178.1 | -176.3 | 68.1 | 0 | 0 | 0 | 112.3 | A223 V224 | A223-L227 WeakPolarHBondContact O-CB 3.33Å; A223-L227 PolarHBondContact O-N 3.28Å; V224-L227 PolarHBondContact O-N 3.24Å |
| 228 | L | 97.1 | Very high | 95.8 | Very high | 109 Ų | 109 | 65.1 Ų | 65.1 | 57% | 0.571 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71 | -36.1 | -180 | -69.3 | 176.2 | 0 | 0 | 0 | 112.8 | V224 I226 F232 | V224-L228 HydrophobicContact CG1-CD1 3.78Å; V224-L228 HydrophobicContact CG1-CG 4.24Å; V224-L228 WeakPolarHBondContact O-CB 3.48Å; V224-L228 VanDerWaalsContact O-CG 3.27Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.04Å; I226-L228 VanDerWaalsContact C-N 3.3Å; I226-L228 PolarHBondContact O-N 2.96Å; L228-F232 VanDerWaalsContact O-CD2 3.31Å; L228-F232 WeakPolarHBondContact O-CD2 3.38Å; L228-F232 WeakPolarHBondContact O-CE2 3.23Å |
| 229 | T | 96.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 69 Ų | 69 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -91.2 | -25.2 | -175.1 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | M121 L124 L225 I226 P231 F232 W233 | M121-T229 WeakPolarHBondContact CE-OG1 3.42Å; M121-T229 PolarHBondContact SD-OG1 3.18Å; L124-T229 HydrophobicContact CD2-CG2 3.6Å; L225-T229 WeakPolarHBondContact O-CB 3.26Å; L225-T229 VanDerWaalsContact O-CG2 3.32Å; L225-T229 WeakPolarHBondContact O-CG2 3.34Å; L225-T229 PolarHBondContact O-N 3.29Å; L225-T229 PolarHBondContact O-OG1 3.34Å; I226-T229 PolarHBondContact O-N 3.42Å; I226-T229 PolarHBondContact O-OG1 3.46Å; T229-P231 VanDerWaalsContact C-CD 3.45Å; T229-F232 WeakPolarHBondContact O-CA 3.15Å; T229-F232 WeakPolarHBondContact O-CB 3.47Å; T229-F232 PolarHBondContact O-N 2.89Å; T229-W233 VanDerWaalsContact C-CD1 3.45Å; T229-W233 PolarHBondContact O-N 3.37Å; T229-W233 PolarHBondContact O-NE1 3.03Å; T229-W233 PolarHBondContact OG1-NE1 3.41Å; T229-W233 VanDerWaalsContact OG1-NE1 3.1Å |
| 230 | Y | 95.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 66.2 Ų | 66.2 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -45 | -49.6 | -179.4 | -178.9 | -101.6 | 0 | 0 | 0 | 114.5 | L176 I226 F232 W233 | L176-Y230 HydrophobicContact CB-CE2 4.13Å; L176-Y230 HydrophobicContact CD1-CD2 4.22Å; L176-Y230 HydrophobicContact CD1-CE2 4.37Å; I226-Y230 WeakPolarHBondContact O-CB 3.47Å; I226-Y230 PolarHBondContact O-N 3.4Å; Y230-F232 PolarHBondContact O-N 2.98Å; Y230-F232 VanDerWaalsContact O-N 3.15Å; Y230-W233 HydrophobicContact CD2-CD2 4.32Å; Y230-W233 AromaticContact CD2-CE3 3.91Å; Y230-W233 HydrophobicContact CD2-CE3 3.91Å; Y230-W233 HydrophobicContact CD2-CH2 4.12Å; Y230-W233 AromaticContact CD2-CZ3 3.81Å; Y230-W233 HydrophobicContact CD2-CZ3 3.81Å; Y230-W233 HydrophobicContact CE2-CE3 4.37Å; Y230-W233 HydrophobicContact CE2-CZ3 4.24Å; Y230-W233 PolarHBondContact O-N 2.88Å |
| 231 | P | 95.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -65.4 | -18.6 | 179.4 | 25.9 | -35.3 | 0 | 0 | 0 | 113.9 | T229 | T229-P231 VanDerWaalsContact C-CD 3.45Š|
| 232 | F | 95.5 | Very high | 95.1 | Very high | 135 Ų | 135 | 64.7 Ų | 64.7 | 59% | 0.592 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -98.3 | -4.6 | -178.3 | -56 | -72.8 | 0 | 0 | 0 | 113.5 | L228 T229 Y230 E234 S235 F236 | L228-F232 VanDerWaalsContact O-CD2 3.31Å; L228-F232 WeakPolarHBondContact O-CD2 3.38Å; L228-F232 WeakPolarHBondContact O-CE2 3.23Å; T229-F232 WeakPolarHBondContact O-CA 3.15Å; T229-F232 WeakPolarHBondContact O-CB 3.47Å; T229-F232 PolarHBondContact O-N 2.89Å; Y230-F232 PolarHBondContact O-N 2.98Å; Y230-F232 VanDerWaalsContact O-N 3.15Å; F232-E234 PolarHBondContact O-N 2.7Å; F232-S235 PolarHBondContact O-N 2.95Å; F232-F236 WeakPolarHBondContact O-CB 3.24Å; F232-F236 PolarHBondContact O-N 3.46Å |
| 233 | W | 95 | Very high | 94.9 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | -175.6 | -73 | 1.5 | 0 | 0 | 0 | 112.3 | M121 T173 L176 I226 T229 Y230 F236 D237 | M121-W233 HydrophobicContact CE-CZ2 4.09Å; M121-W233 HydrophobicContact CG-CH2 4.49Å; M121-W233 HydrophobicContact CG-CZ2 3.66Å; M121-W233 HydrophobicContact SD-CZ2 3.78Å; M121-W233 PolarHBondContact SD-NE1 3.48Å; T173-W233 HydrophobicContact CG2-CH2 3.78Å; T173-W233 HydrophobicContact CG2-CZ2 4.29Å; T173-W233 HydrophobicContact CG2-CZ3 4.02Å; L176-W233 HydrophobicContact CB-CH2 4.39Å; L176-W233 HydrophobicContact CB-CZ3 4.07Å; L176-W233 HydrophobicContact CD1-CH2 4.23Å; I226-W233 HydrophobicContact CG2-CH2 4.2Å; I226-W233 HydrophobicContact CG2-CZ2 4.12Å; T229-W233 VanDerWaalsContact C-CD1 3.45Å; T229-W233 PolarHBondContact O-N 3.37Å; T229-W233 PolarHBondContact O-NE1 3.03Å; T229-W233 PolarHBondContact OG1-NE1 3.41Å; T229-W233 VanDerWaalsContact OG1-NE1 3.1Å; Y230-W233 HydrophobicContact CD2-CD2 4.32Å; Y230-W233 AromaticContact CD2-CE3 3.91Å; Y230-W233 HydrophobicContact CD2-CE3 3.91Å; Y230-W233 HydrophobicContact CD2-CH2 4.12Å; Y230-W233 AromaticContact CD2-CZ3 3.81Å; Y230-W233 HydrophobicContact CD2-CZ3 3.81Å; Y230-W233 HydrophobicContact CE2-CE3 4.37Å; Y230-W233 HydrophobicContact CE2-CZ3 4.24Å; Y230-W233 PolarHBondContact O-N 2.88Å; W233-F236 PolarHBondContact O-N 3.49Å; W233-D237 WeakPolarHBondContact O-CB 3.37Å; W233-D237 PolarHBondContact O-N 2.89Å |
| 234 | E | 93.2 | Very high | 94.7 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 178.1 | -64.1 | -63.5 | 169.8 | 0 | 0 | 112.6 | R117 F232 F236 D237 S238 | R117-E234 IonicContact CZ-OE1 2.86Å; R117-E234 IonicContact NH1-OE1 3.07Å; R117-E234 IonicContact NH2-OE1 3.49Å; R117-E234 PolarHBondContact NH2-OE1 2.95Å; R117-E234 IonicContact NH2-OE2 2.73Å; R117-E234 PolarHBondContact NH2-OE2 3.42Å; F232-E234 PolarHBondContact O-N 2.7Å; E234-F236 VanDerWaalsContact C-N 3.33Å; E234-F236 PolarHBondContact O-N 2.91Å; E234-D237 WeakPolarHBondContact O-CB 3.42Å; E234-D237 PolarHBondContact O-N 2.88Å; E234-S238 WeakPolarHBondContact O-CB 3.22Å; E234-S238 PolarHBondContact O-N 2.84Å |
| 235 | S | 94.1 | Very high | 94.5 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 57% | 0.566 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | F232 F239 | F232-S235 PolarHBondContact O-N 2.95Å; S235-F239 VanDerWaalsContact O-CB 3.31Å; S235-F239 WeakPolarHBondContact O-CB 3.45Å; S235-F239 PolarHBondContact O-N 2.98Å |
| 236 | F | 94.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 68.2 Ų | 68.2 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 176 | -174 | -99.2 | 0 | 0 | 0 | 111.6 | N120 F232 W233 E234 F239 Q240 | N120-F236 HydrophobicContact CB-CE1 4.25Å; N120-F236 VanDerWaalsContact ND2-CE1 3.34Å; N120-F236 WeakPolarHBondContact ND2-CE1 3.36Å; F232-F236 WeakPolarHBondContact O-CB 3.24Å; F232-F236 PolarHBondContact O-N 3.46Å; W233-F236 PolarHBondContact O-N 3.49Å; E234-F236 VanDerWaalsContact C-N 3.33Å; E234-F236 PolarHBondContact O-N 2.91Å; F236-F239 PolarHBondContact O-N 3.49Å; F236-Q240 VanDerWaalsContact CE1-OE1 3.29Å; F236-Q240 VanDerWaalsContact O-CB 3.27Å; F236-Q240 WeakPolarHBondContact O-CB 3.35Å; F236-Q240 PolarHBondContact O-N 3.13Å |
| 237 | D | 93.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.064 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 178.2 | -164.4 | 84.4 | 0 | 0 | 0 | 111.7 | R116 W233 E234 Q240 L241 | R116-D237 IonicContact CZ-OD1 3.81Å; R116-D237 IonicContact CZ-OD2 3.47Å; R116-D237 IonicContact NE-OD1 2.91Å; R116-D237 PolarHBondContact NE-OD1 3.41Å; R116-D237 PolarHBondContact NH1-O 3.36Å; R116-D237 VanDerWaalsContact NH1-O 3.11Å; R116-D237 IonicContact NH1-OD1 3.07Å; R116-D237 PolarHBondContact NH1-OD1 3.04Å; R116-D237 IonicContact NH1-OD2 3.7Å; R116-D237 PolarHBondContact NH1-OD2 3.24Å; R116-D237 VanDerWaalsContact NH2-CG 3.26Å; R116-D237 IonicContact NH2-OD1 2.95Å; R116-D237 PolarHBondContact NH2-OD1 2.93Å; R116-D237 VanDerWaalsContact NH2-OD1 3.11Å; R116-D237 IonicContact NH2-OD2 2.94Å; R116-D237 PolarHBondContact NH2-OD2 3.44Å; W233-D237 WeakPolarHBondContact O-CB 3.37Å; W233-D237 PolarHBondContact O-N 2.89Å; E234-D237 WeakPolarHBondContact O-CB 3.42Å; E234-D237 PolarHBondContact O-N 2.88Å; D237-Q240 PolarHBondContact O-N 2.64Å; D237-L241 PolarHBondContact O-N 3.09Å |
| 238 | S | 92.6 | Very high | 94 | Very high | 64 Ų | 64 | 67.2 Ų | 67.2 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | E234 Q240 L241 T242 | E234-S238 WeakPolarHBondContact O-CB 3.22Å; E234-S238 PolarHBondContact O-N 2.84Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.28Å; S238-L241 PolarHBondContact O-N 3.3Å; S238-T242 WeakPolarHBondContact O-CB 3.3Å; S238-T242 WeakPolarHBondContact O-CG2 3.41Å; S238-T242 PolarHBondContact O-N 3.29Å; S238-T242 PolarHBondContact O-OG1 3.21Å |
| 239 | F | 93.7 | Very high | 93.9 | Very high | 81 Ų | 81 | 65.1 Ų | 65.1 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 175.8 | 172.4 | -97.3 | 0 | 0 | 0 | 111.6 | S235 F236 L241 S243 I249 | S235-F239 VanDerWaalsContact O-CB 3.31Å; S235-F239 WeakPolarHBondContact O-CB 3.45Å; S235-F239 PolarHBondContact O-N 2.98Å; F236-F239 PolarHBondContact O-N 3.49Å; F239-L241 VanDerWaalsContact C-N 3.28Å; F239-L241 PolarHBondContact O-N 3.41Å; F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 2.56Å; F239-S243 VanDerWaalsContact O-N 3.17Å; F239-I249 HydrophobicContact CZ-CD1 3.75Å |
| 240 | Q | 93.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -35.7 | -177.9 | -175.7 | 177.3 | -28.6 | 0 | 0 | 112.4 | N120 F236 D237 S238 S246 S285 | N120-Q240 PolarHBondContact ND2-OE1 2.92Å; N120-Q240 PolarHBondContact OD1-OE1 3.45Å; F236-Q240 VanDerWaalsContact CE1-OE1 3.29Å; F236-Q240 VanDerWaalsContact O-CB 3.27Å; F236-Q240 WeakPolarHBondContact O-CB 3.35Å; F236-Q240 PolarHBondContact O-N 3.13Å; D237-Q240 PolarHBondContact O-N 2.64Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.28Å; Q240-S246 WeakPolarHBondContact CA-OG 3.18Å; Q240-S246 WeakPolarHBondContact O-CB 3.4Å; Q240-S246 PolarHBondContact O-OG 3.07Å; Q240-S285 PolarHBondContact NE2-OG 3.44Å |
| 241 | L | 92.2 | Very high | 93.8 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -89.1 | -39.8 | -178.5 | -63.2 | 180 | 0 | 0 | 0 | 114.5 | R116 D237 S238 F239 V292 | R116-L241 VanDerWaalsContact CZ-CD1 3.49Å; R116-L241 VanDerWaalsContact NH2-CD1 3.35Å; D237-L241 PolarHBondContact O-N 3.09Å; S238-L241 PolarHBondContact O-N 3.3Å; F239-L241 VanDerWaalsContact C-N 3.28Å; F239-L241 PolarHBondContact O-N 3.41Å; L241-V292 HydrophobicContact CB-CG2 4.17Å; L241-V292 HydrophobicContact CD1-CG2 4.18Å; L241-V292 HydrophobicContact CD2-CG2 3.8Å; L241-V292 HydrophobicContact CG-CG2 4.24Å |
| 242 | T | 91.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -94.5 | -33.2 | -166.5 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | S238 | S238-T242 WeakPolarHBondContact O-CB 3.3Å; S238-T242 WeakPolarHBondContact O-CG2 3.41Å; S238-T242 PolarHBondContact O-N 3.29Å; S238-T242 PolarHBondContact O-OG1 3.21Å |
| 243 | S | 93.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | trans | -75 | 128.7 | -173.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | F239 L245 S246 W289 | F239-S243 WeakPolarHBondContact O-CB 3.47Å; F239-S243 PolarHBondContact O-N 2.56Å; F239-S243 VanDerWaalsContact O-N 3.17Å; S243-L245 PolarHBondContact O-N 2.95Å; S243-L245 PolarHBondContact OG-N 3.33Å; S243-S246 WeakPolarHBondContact O-CB 3.03Å; S243-S246 PolarHBondContact O-N 3.48Å; S243-S246 VanDerWaalsContact O-N 3.14Å; S243-W289 PolarHBondContact O-NE1 2.81Å | ||
| 244 | P | 92.6 | Very high | 93.8 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19.3 | 175.1 | 28.1 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 245 | L | 93.8 | Very high | 93.8 | Very high | 100 Ų | 100 | 56 Ų | 56 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15 | 177.7 | -58.8 | 178.9 | 0 | 0 | 0 | 112.9 | S243 I248 I249 | S243-L245 PolarHBondContact O-N 2.95Å; S243-L245 PolarHBondContact OG-N 3.33Å; L245-I248 PolarHBondContact O-N 3.22Å; L245-I249 HydrophobicContact CB-CD1 3.76Å; L245-I249 HydrophobicContact CB-CG1 4.43Å; L245-I249 WeakPolarHBondContact O-CB 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.3Å; L245-I249 PolarHBondContact O-N 2.83Å |
| 246 | S | 92.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -48.7 | -53.9 | -179.3 | 171.4 | 0 | 0 | 0 | 0 | 114 | Q240 S243 I248 I249 A250 | Q240-S246 WeakPolarHBondContact CA-OG 3.18Å; Q240-S246 WeakPolarHBondContact O-CB 3.4Å; Q240-S246 PolarHBondContact O-OG 3.07Å; S243-S246 WeakPolarHBondContact O-CB 3.03Å; S243-S246 PolarHBondContact O-N 3.48Å; S243-S246 VanDerWaalsContact O-N 3.14Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 2.98Å; S246-I249 PolarHBondContact O-N 3.25Å; S246-A250 VanDerWaalsContact O-CB 3.28Å; S246-A250 WeakPolarHBondContact O-CB 3.12Å; S246-A250 PolarHBondContact O-N 3.01Å |
| 247 | P | 93.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | -178.2 | 24.3 | -35.2 | 0 | 0 | 0 | 112.8 | L251 V286 W289 | P247-L251 WeakPolarHBondContact O-CB 3.19Å; P247-L251 WeakPolarHBondContact O-CG 3.36Å; P247-L251 PolarHBondContact O-N 3.1Å; P247-V286 HydrophobicContact CB-CB 4.34Å; P247-V286 HydrophobicContact CB-CG1 4.15Å; P247-V286 HydrophobicContact CB-CG2 3.79Å; P247-W289 HydrophobicContact CB-CE3 4.45Å; P247-W289 HydrophobicContact CG-CD2 3.9Å; P247-W289 HydrophobicContact CG-CE3 3.95Å; P247-W289 HydrophobicContact CG-CG 4.4Å; P247-W289 HydrophobicContact CG-CH2 4.44Å; P247-W289 HydrophobicContact CG-CZ2 4.39Å; P247-W289 HydrophobicContact CG-CZ3 4.23Å |
| 248 | I | 94.7 | Very high | 93.7 | Very high | 111 Ų | 111 | 54.8 Ų | 54.8 | 57% | 0.569 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.8 | -46.8 | 179.1 | -62 | 172 | 0 | 0 | 0 | 109.7 | L245 S246 S252 | L245-I248 PolarHBondContact O-N 3.22Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 2.98Å; I248-S252 VanDerWaalsContact O-CB 3.26Å; I248-S252 WeakPolarHBondContact O-CB 3.24Å; I248-S252 PolarHBondContact O-N 3.43Å; I248-S252 PolarHBondContact O-OG 2.9Å |
| 249 | I | 94.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 56 Ų | 56 | 34% | 0.338 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 179.2 | -69.7 | 166.5 | 0 | 0 | 0 | 110 | F239 L245 S246 L251 S252 L253 | F239-I249 HydrophobicContact CZ-CD1 3.75Å; L245-I249 HydrophobicContact CB-CD1 3.76Å; L245-I249 HydrophobicContact CB-CG1 4.43Å; L245-I249 WeakPolarHBondContact O-CB 3.25Å; L245-I249 WeakPolarHBondContact O-CG1 3.3Å; L245-I249 PolarHBondContact O-N 2.83Å; S246-I249 PolarHBondContact O-N 3.25Å; I249-L251 PolarHBondContact O-N 3.1Å; I249-S252 PolarHBondContact O-N 2.84Å; I249-S252 PolarHBondContact O-OG 2.92Å; I249-L253 WeakPolarHBondContact O-CB 3.43Å; I249-L253 PolarHBondContact O-N 3.46Å |
| 250 | A | 93.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 55.4 Ų | 55.4 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | S246 L254 | S246-A250 VanDerWaalsContact O-CB 3.28Å; S246-A250 WeakPolarHBondContact O-CB 3.12Å; S246-A250 PolarHBondContact O-N 3.01Å; A250-L254 WeakPolarHBondContact O-CB 3.17Å; A250-L254 WeakPolarHBondContact O-CD1 3.36Å; A250-L254 WeakPolarHBondContact O-CG 3.47Å; A250-L254 PolarHBondContact O-N 3.25Å |
| 251 | L | 95.5 | Very high | 93 | Very high | 63 Ų | 63 | 55.4 Ų | 55.4 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -50.8 | 178.4 | -72.8 | 167 | 0 | 0 | 0 | 112.1 | P247 I249 L255 A282 V286 F370 T374 | P247-L251 WeakPolarHBondContact O-CB 3.19Å; P247-L251 WeakPolarHBondContact O-CG 3.36Å; P247-L251 PolarHBondContact O-N 3.1Å; I249-L251 PolarHBondContact O-N 3.1Å; L251-L255 WeakPolarHBondContact O-CB 3.08Å; L251-L255 PolarHBondContact O-N 3.29Å; L251-A282 HydrophobicContact CD2-CB 3.98Å; L251-V286 HydrophobicContact CD1-CG2 3.85Å; L251-V286 HydrophobicContact CD2-CG2 4.25Å; L251-V286 HydrophobicContact CG-CG2 3.77Å; L251-F370 HydrophobicContact CD2-CE1 4.36Å; L251-T374 HydrophobicContact CD2-CG2 3.78Å |
| 252 | S | 95.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | -175.4 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | I248 I249 F256 | I248-S252 VanDerWaalsContact O-CB 3.26Å; I248-S252 WeakPolarHBondContact O-CB 3.24Å; I248-S252 PolarHBondContact O-N 3.43Å; I248-S252 PolarHBondContact O-OG 2.9Å; I249-S252 PolarHBondContact O-N 2.84Å; I249-S252 PolarHBondContact O-OG 2.92Å; S252-F256 WeakPolarHBondContact O-CB 3.15Å; S252-F256 PolarHBondContact O-N 3.45Å |
| 253 | L | 95.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 58.7 Ų | 58.7 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 179.7 | -179.8 | 62.9 | 0 | 0 | 0 | 111.4 | I249 L255 F256 L257 | I249-L253 WeakPolarHBondContact O-CB 3.43Å; I249-L253 PolarHBondContact O-N 3.46Å; L253-L255 VanDerWaalsContact C-N 3.33Å; L253-L255 PolarHBondContact O-N 3.33Å; L253-F256 WeakPolarHBondContact O-CB 3.39Å; L253-F256 PolarHBondContact O-N 3.07Å; L253-L257 HydrophobicContact CD1-CD1 4.35Å; L253-L257 HydrophobicContact CD1-CG 4.35Å; L253-L257 HydrophobicContact CG-CD1 4.16Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 3.47Å |
| 254 | L | 95.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71 | -31.4 | -176.7 | -61.6 | 174.9 | 0 | 0 | 0 | 111.8 | A250 L257 S258 L278 C281 A282 F370 | A250-L254 WeakPolarHBondContact O-CB 3.17Å; A250-L254 WeakPolarHBondContact O-CD1 3.36Å; A250-L254 WeakPolarHBondContact O-CG 3.47Å; A250-L254 PolarHBondContact O-N 3.25Å; L254-L257 HydrophobicContact CD2-CD1 4.38Å; L254-S258 WeakPolarHBondContact O-CB 3.32Å; L254-S258 PolarHBondContact O-N 3.45Å; L254-S258 PolarHBondContact O-OG 3.34Å; L254-L278 HydrophobicContact CB-CB 4.28Å; L254-L278 HydrophobicContact CD2-CD2 3.63Å; L254-C281 HydrophobicContact CD1-CB 3.97Å; L254-A282 HydrophobicContact CB-CB 4.3Å; L254-A282 HydrophobicContact CD1-CB 3.64Å; L254-F370 HydrophobicContact CB-CE2 4.15Å; L254-F370 HydrophobicContact CB-CZ 4.42Å |
| 255 | L | 94.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 170.3 | -175.1 | 59.7 | 0 | 0 | 0 | 111.1 | L251 L253 L257 S258 Y259 F370 | L251-L255 WeakPolarHBondContact O-CB 3.08Å; L251-L255 PolarHBondContact O-N 3.29Å; L253-L255 VanDerWaalsContact C-N 3.33Å; L253-L255 PolarHBondContact O-N 3.33Å; L255-L257 PolarHBondContact O-N 2.96Å; L255-S258 WeakPolarHBondContact O-CB 3.39Å; L255-S258 PolarHBondContact O-N 2.76Å; L255-S258 VanDerWaalsContact O-N 3.1Å; L255-Y259 HydrophobicContact CD1-CD2 3.9Å; L255-Y259 HydrophobicContact CD1-CE2 3.61Å; L255-Y259 HydrophobicContact CG-CD2 4.01Å; L255-Y259 HydrophobicContact CG-CE2 3.97Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 3.47Å; L255-F370 HydrophobicContact CB-CE1 4Å; L255-F370 HydrophobicContact CB-CE2 4.07Å; L255-F370 HydrophobicContact CB-CZ 3.72Å; L255-F370 HydrophobicContact CD1-CB 4.23Å; L255-F370 HydrophobicContact CD1-CD1 3.7Å; L255-F370 HydrophobicContact CD1-CD2 4.01Å; L255-F370 HydrophobicContact CD1-CE1 3.98Å; L255-F370 HydrophobicContact CD1-CE2 4.28Å; L255-F370 HydrophobicContact CD1-CG 3.7Å; L255-F370 HydrophobicContact CD1-CZ 4.27Å; L255-F370 HydrophobicContact CG-CE1 4.43Å |
| 256 | F | 94.5 | Very high | 89.1 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 55% | 0.553 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.1 | -48.5 | 176.3 | 174.6 | -101.2 | 0 | 0 | 0 | 111.3 | S252 L253 S258 Y259 T260 | S252-F256 WeakPolarHBondContact O-CB 3.15Å; S252-F256 PolarHBondContact O-N 3.45Å; L253-F256 WeakPolarHBondContact O-CB 3.39Å; L253-F256 PolarHBondContact O-N 3.07Å; F256-S258 PolarHBondContact O-N 2.86Å; F256-Y259 PolarHBondContact O-N 3.26Å; F256-Y259 VanDerWaalsContact O-N 3.08Å; F256-T260 HydrophobicContact CD1-CG2 4.33Å; F256-T260 HydrophobicContact CD2-CG2 3.97Å; F256-T260 HydrophobicContact CE1-CG2 3.91Å; F256-T260 HydrophobicContact CE2-CG2 3.51Å; F256-T260 HydrophobicContact CG-CG2 4.37Å; F256-T260 HydrophobicContact CZ-CG2 3.49Å; F256-T260 VanDerWaalsContact CZ-CG2 3.49Å; F256-T260 PolarHBondContact O-N 2.94Å; F256-T260 PolarHBondContact O-OG1 3.47Å |
| 257 | L | 93.3 | Very high | 88.2 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -32.9 | 175.3 | -67.7 | 173.5 | 0 | 0 | 0 | 112.5 | Y127 L253 L254 L255 T260 Y261 L278 | Y127-L257 HydrophobicContact CE1-CD2 4.32Å; Y127-L257 HydrophobicContact CE2-CB 3.95Å; Y127-L257 WeakPolarHBondContact OH-CD2 3.24Å; L253-L257 HydrophobicContact CD1-CD1 4.35Å; L253-L257 HydrophobicContact CD1-CG 4.35Å; L253-L257 HydrophobicContact CG-CD1 4.16Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 3.47Å; L254-L257 HydrophobicContact CD2-CD1 4.38Å; L255-L257 PolarHBondContact O-N 2.96Å; L257-T260 WeakPolarHBondContact CA-OG1 3.49Å; L257-Y261 PolarHBondContact O-N 3.14Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; L257-L278 HydrophobicContact CB-CD1 4.12Å |
| 258 | S | 91.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 174.7 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | L254 L255 F256 L278 | L254-S258 WeakPolarHBondContact O-CB 3.32Å; L254-S258 PolarHBondContact O-N 3.45Å; L254-S258 PolarHBondContact O-OG 3.34Å; L255-S258 WeakPolarHBondContact O-CB 3.39Å; L255-S258 PolarHBondContact O-N 2.76Å; L255-S258 VanDerWaalsContact O-N 3.1Å; F256-S258 PolarHBondContact O-N 2.86Å; S258-L278 VanDerWaalsContact OG-CD1 3.22Å; S258-L278 WeakPolarHBondContact OG-CD1 3.43Å |
| 259 | Y | 88.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 35% | 0.349 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -82.6 | -33 | 177.9 | -85.8 | -74.4 | 0 | 0 | 0 | 113.6 | L255 F256 Y261 K362 V366 | L255-Y259 HydrophobicContact CD1-CD2 3.9Å; L255-Y259 HydrophobicContact CD1-CE2 3.61Å; L255-Y259 HydrophobicContact CG-CD2 4.01Å; L255-Y259 HydrophobicContact CG-CE2 3.97Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 3.47Å; F256-Y259 PolarHBondContact O-N 3.26Å; F256-Y259 VanDerWaalsContact O-N 3.08Å; Y259-Y261 VanDerWaalsContact C-N 3.27Å; Y259-K362 WeakPolarHBondContact O-CE 3.43Å; Y259-K362 PolarHBondContact O-NZ 3.48Å; Y259-V366 HydrophobicContact CD1-CG1 4.37Å; Y259-V366 HydrophobicContact CD2-CG1 4.23Å; Y259-V366 HydrophobicContact CE1-CB 4.4Å; Y259-V366 HydrophobicContact CE1-CG1 4.25Å; Y259-V366 HydrophobicContact CE2-CG1 4.12Å; Y259-V366 HydrophobicContact CG-CG1 4.36Å |
| 260 | T | 88.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 55 Ų | 55 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -85.7 | 0.2 | 177.6 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | F256 L257 | F256-T260 HydrophobicContact CD1-CG2 4.33Å; F256-T260 HydrophobicContact CD2-CG2 3.97Å; F256-T260 HydrophobicContact CE1-CG2 3.91Å; F256-T260 HydrophobicContact CE2-CG2 3.51Å; F256-T260 HydrophobicContact CG-CG2 4.37Å; F256-T260 HydrophobicContact CZ-CG2 3.49Å; F256-T260 VanDerWaalsContact CZ-CG2 3.49Å; F256-T260 PolarHBondContact O-N 2.94Å; F256-T260 PolarHBondContact O-OG1 3.47Å; L257-T260 WeakPolarHBondContact CA-OG1 3.49Å |
| 261 | Y | 87.3 | Confident | 85.7 | Confident | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -52.7 | 134.8 | 173.7 | -168.9 | -89.1 | 0 | 0 | 0 | 111.2 | Y127 Q130 V131 D134 L257 Y259 E263 R271 T274 | Y127-Y261 HydrophobicContact CE2-CD2 4.26Å; Q130-Y261 VanDerWaalsContact C-OH 3.28Å; Q130-Y261 HydrophobicContact CB-CE2 4.24Å; Q130-Y261 WeakPolarHBondContact CB-OH 3.28Å; Q130-Y261 PolarHBondContact O-OH 3.01Å; Q130-Y261 VanDerWaalsContact O-OH 3.13Å; V131-Y261 HydrophobicContact CG2-CD2 4.1Å; V131-Y261 HydrophobicContact CG2-CE2 3.75Å; D134-Y261 VanDerWaalsContact OD2-CE1 3.24Å; D134-Y261 WeakPolarHBondContact OD2-CE1 3.26Å; D134-Y261 VanDerWaalsContact OD2-CZ 3.28Å; D134-Y261 PolarHBondContact OD2-OH 3.29Å; L257-Y261 PolarHBondContact O-N 3.14Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; Y259-Y261 VanDerWaalsContact C-N 3.27Å; Y261-E263 PolarHBondContact O-N 3.21Å; Y261-R271 HydrophobicContact CD1-CB 4.03Å; Y261-R271 HydrophobicContact CD1-CG 4.14Å; Y261-R271 HydrophobicContact CE1-CB 4.21Å; Y261-T274 HydrophobicContact CD2-CG2 3.78Å; Y261-T274 HydrophobicContact CE2-CG2 3.8Å |
| 262 | P | 83.6 | Confident | 85.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 29% | 0.286 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 133.8 | -176.2 | -27.3 | 34.3 | 0 | 0 | 0 | 113.1 | ||
| 263 | E | 77.1 | Confident | 84.8 | Confident | 137 Ų | 137 | 51.5 Ų | 51.5 | 64% | 0.64 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 134.8 | 172.8 | -70 | -179.6 | -170.3 | 0 | 0 | 110 | Y261 K362 | Y261-E263 PolarHBondContact O-N 3.21Å; E263-K362 WeakPolarHBondContact OE1-CD 3.27Å; E263-K362 WeakPolarHBondContact OE1-CE 3.5Å; E263-K362 IonicContact OE1-NZ 3.88Å; E263-K362 PolarHBondContact OE1-NZ 2.99Å |
| 264 | L | 76.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -104.7 | 150.7 | 174.6 | -70.4 | 168.8 | 0 | 0 | 0 | 109.5 | D134 Y157 H266 T268 | D134-L264 HydrophobicContact CB-CD1 4.28Å; D134-L264 HydrophobicContact CB-CD2 4.27Å; D134-L264 HydrophobicContact CB-CG 4.47Å; Y157-L264 HydrophobicContact CE2-CD1 4.12Å; Y157-L264 HydrophobicContact CE2-CD2 3.95Å; L264-H266 PolarHBondContact O-N 3.06Å; L264-H266 VanDerWaalsContact O-N 3.09Å; L264-T268 HydrophobicContact CD1-CG2 3.64Å | ||
| 265 | D | 71.8 | Confident | 84.5 | Confident | 161 Ų | 161 | 46.6 Ų | 46.6 | 86% | 0.861 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -64.2 | -15.2 | 179.3 | -54.1 | -51.7 | 0 | 0 | 0 | 113.2 | ||
| 266 | H | 73.1 | Confident | 84.4 | Confident | 83 Ų | 83 | 44 Ų | 44 | 38% | 0.384 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -130.1 | 154.3 | 178.2 | 62.3 | -78.2 | 0 | 0 | 0 | 110.9 | L264 T268 | L264-H266 PolarHBondContact O-N 3.06Å; L264-H266 VanDerWaalsContact O-N 3.09Å; H266-T268 VanDerWaalsContact NE2-CG2 3.33Å; H266-T268 WeakPolarHBondContact NE2-CG2 3.22Å; H266-T268 PolarHBondContact O-N 2.93Å |
| 267 | Y | 73.6 | Confident | 84.4 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 18% | 0.184 | 19% | 0.192 | C | C | . | . | trans | -70.8 | 119.5 | 177.8 | 179.6 | -98.3 | 0 | 0 | 0 | 111.1 | N65 Y66 R360 E365 | N65-Y267 HydrophobicContact CB-CE1 4.23Å; N65-Y267 WeakPolarHBondContact CB-OH 3.42Å; Y66-Y267 HydrophobicContact CD2-CD1 4.19Å; Y66-Y267 HydrophobicContact CD2-CE1 4.44Å; Y267-R360 HydrophobicContact CD2-CB 3.92Å; Y267-R360 HydrophobicContact CD2-CG 4.07Å; Y267-R360 HydrophobicContact CE1-CG 4.45Å; Y267-R360 HydrophobicContact CE2-CB 3.92Å; Y267-R360 HydrophobicContact CE2-CG 3.91Å; Y267-R360 HydrophobicContact CG-CG 4.44Å; Y267-E365 PolarHBondContact OH-OE1 3.31Å | ||
| 268 | T | 76.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | trans | -116.6 | 159.4 | 169.5 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | L264 H266 T270 | L264-T268 HydrophobicContact CD1-CG2 3.64Å; H266-T268 VanDerWaalsContact NE2-CG2 3.33Å; H266-T268 WeakPolarHBondContact NE2-CG2 3.22Å; H266-T268 PolarHBondContact O-N 2.93Å; T268-T270 VanDerWaalsContact C-N 3.28Å; T268-T270 PolarHBondContact OG1-OG1 3.47Å | ||
| 269 | T | 78.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.8 | -16.8 | 172.8 | 33.8 | 0 | 0 | 0 | 0 | 113.1 | E156 R271 G272 D273 | E156-T269 PolarHBondContact OE1-OG1 2.88Å; T269-R271 PolarHBondContact O-N 3.29Å; T269-G272 PolarHBondContact O-N 3.5Å; T269-G272 VanDerWaalsContact O-N 3.13Å; T269-D273 PolarHBondContact O-N 3.5Å |
| 270 | T | 82.2 | Confident | 85 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.3 | -48.6 | -173.2 | 56.6 | 0 | 0 | 0 | 0 | 113 | D134 E156 T268 G272 D273 T274 | D134-T270 PolarHBondContact OD2-OG1 2.97Å; E156-T270 HydrophobicContact CB-CG2 4.32Å; E156-T270 HydrophobicContact CG-CG2 3.91Å; T268-T270 VanDerWaalsContact C-N 3.28Å; T268-T270 PolarHBondContact OG1-OG1 3.47Å; T270-G272 PolarHBondContact O-N 3.37Å; T270-D273 PolarHBondContact O-N 2.85Å; T270-T274 WeakPolarHBondContact O-CB 3.33Å; T270-T274 PolarHBondContact O-N 2.88Å; T270-T274 PolarHBondContact O-OG1 2.88Å |
| 271 | R | 85.9 | Confident | 85.3 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.9 | -49.9 | 177.7 | 179.4 | -178.2 | 63.8 | -170.2 | 0.2 | 111.9 | Y261 T269 D273 T274 T275 R360 E365 V366 | Y261-R271 HydrophobicContact CD1-CB 4.03Å; Y261-R271 HydrophobicContact CD1-CG 4.14Å; Y261-R271 HydrophobicContact CE1-CB 4.21Å; T269-R271 PolarHBondContact O-N 3.29Å; R271-D273 VanDerWaalsContact C-N 3.33Å; R271-D273 PolarHBondContact O-N 2.95Å; R271-T274 PolarHBondContact O-N 2.83Å; R271-T275 PolarHBondContact O-N 3.01Å; R271-T275 PolarHBondContact O-OG1 2.89Å; R271-R360 PolarHBondContact NH2-O 3.28Å; R271-E365 IonicContact CZ-OE2 2.76Å; R271-E365 IonicContact NE-OE2 3.93Å; R271-E365 PolarHBondContact NE-OE2 2.99Å; R271-E365 IonicContact NH2-OE2 3.57Å; R271-E365 PolarHBondContact NH2-OE2 3.39Å; R271-V366 HydrophobicContact CG-CG2 4.5Å |
| 272 | G | 86 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T269 T270 T276 K369 | T269-G272 PolarHBondContact O-N 3.5Å; T269-G272 VanDerWaalsContact O-N 3.13Å; T270-G272 PolarHBondContact O-N 3.37Å; G272-T276 WeakPolarHBondContact O-CB 3.47Å; G272-T276 PolarHBondContact O-N 3.38Å; G272-T276 VanDerWaalsContact O-N 3.1Å; G272-T276 PolarHBondContact O-OG1 3.3Å; G272-K369 VanDerWaalsContact CA-NZ 3.31Å; G272-K369 WeakPolarHBondContact O-CD 3.41Å |
| 273 | D | 87.3 | Confident | 86.3 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 19% | 0.187 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 175.6 | -68.9 | -4.7 | 0 | 0 | 0 | 110.6 | T269 T270 R271 T276 I277 | T269-D273 PolarHBondContact O-N 3.5Å; T270-D273 PolarHBondContact O-N 2.85Å; R271-D273 VanDerWaalsContact C-N 3.33Å; R271-D273 PolarHBondContact O-N 2.95Å; D273-T276 VanDerWaalsContact O-CB 3.32Å; D273-T276 WeakPolarHBondContact O-CB 3.44Å; D273-T276 PolarHBondContact O-N 3.1Å; D273-I277 VanDerWaalsContact O-CG1 3.28Å; D273-I277 WeakPolarHBondContact O-CG1 3.13Å; D273-I277 PolarHBondContact O-N 3.25Å; D273-I277 VanDerWaalsContact O-N 3.08Å |
| 274 | T | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | Y127 Q130 Y261 T270 R271 T276 I277 L278 | Y127-T274 HydrophobicContact CD2-CG2 3.66Å; Y127-T274 HydrophobicContact CE2-CG2 4.18Å; Q130-T274 WeakPolarHBondContact CB-OG1 3.5Å; Q130-T274 WeakPolarHBondContact CG-OG1 3.32Å; Y261-T274 HydrophobicContact CD2-CG2 3.78Å; Y261-T274 HydrophobicContact CE2-CG2 3.8Å; T270-T274 WeakPolarHBondContact O-CB 3.33Å; T270-T274 PolarHBondContact O-N 2.88Å; T270-T274 PolarHBondContact O-OG1 2.88Å; R271-T274 PolarHBondContact O-N 2.83Å; T274-T276 VanDerWaalsContact C-N 3.25Å; T274-T276 PolarHBondContact O-N 3.42Å; T274-I277 PolarHBondContact O-N 3.15Å; T274-L278 HydrophobicContact CG2-CD1 3.88Å; T274-L278 HydrophobicContact CG2-CG 4.27Å; T274-L278 VanDerWaalsContact O-CG 3.32Å; T274-L278 WeakPolarHBondContact O-CG 3.33Å; T274-L278 PolarHBondContact O-N 3.26Å |
| 275 | T | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.6 | -36.7 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 112.3 | R271 G279 V366 K369 F370 | R271-T275 PolarHBondContact O-N 3.01Å; R271-T275 PolarHBondContact O-OG1 2.89Å; T275-G279 PolarHBondContact O-N 3.47Å; T275-V366 HydrophobicContact CG2-CG1 3.97Å; T275-V366 WeakPolarHBondContact CG2-O 3.37Å; T275-K369 HydrophobicContact CG2-CB 3.99Å; T275-F370 HydrophobicContact CG2-CB 3.81Å; T275-F370 HydrophobicContact CG2-CD2 4.33Å |
| 276 | T | 93.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 14.4 Ų | 14.4 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | 176.3 | -65 | 0 | 0 | 0 | 0 | 110.8 | G272 D273 T274 G279 V280 Y373 | G272-T276 WeakPolarHBondContact O-CB 3.47Å; G272-T276 PolarHBondContact O-N 3.38Å; G272-T276 VanDerWaalsContact O-N 3.1Å; G272-T276 PolarHBondContact O-OG1 3.3Å; D273-T276 VanDerWaalsContact O-CB 3.32Å; D273-T276 WeakPolarHBondContact O-CB 3.44Å; D273-T276 PolarHBondContact O-N 3.1Å; T274-T276 VanDerWaalsContact C-N 3.25Å; T274-T276 PolarHBondContact O-N 3.42Å; T276-G279 PolarHBondContact O-N 3.24Å; T276-V280 WeakPolarHBondContact O-CG2 3.44Å; T276-V280 PolarHBondContact O-N 2.86Å; T276-Y373 HydrophobicContact CG2-CD1 3.62Å; T276-Y373 HydrophobicContact CG2-CD2 3.57Å; T276-Y373 HydrophobicContact CG2-CE1 3.4Å; T276-Y373 VanDerWaalsContact CG2-CE1 3.4Å; T276-Y373 HydrophobicContact CG2-CE2 3.42Å; T276-Y373 VanDerWaalsContact CG2-CE2 3.42Å; T276-Y373 HydrophobicContact CG2-CG 3.69Å; T276-Y373 WeakPolarHBondContact O-CB 3.47Å; T276-Y373 VanDerWaalsContact OG1-CE2 3.28Å; T276-Y373 WeakPolarHBondContact OG1-CE2 3.33Å |
| 277 | I | 93.7 | Very high | 90.1 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 6% | 0.056 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | -179.7 | -63.8 | 166.8 | 0 | 0 | 0 | 111 | W122 T123 M126 D273 T274 G279 V280 C281 | W122-I277 HydrophobicContact CD2-CG2 4.46Å; W122-I277 HydrophobicContact CE3-CG2 4.09Å; W122-I277 HydrophobicContact CH2-CB 4.17Å; W122-I277 HydrophobicContact CH2-CG1 3.71Å; W122-I277 HydrophobicContact CH2-CG2 3.92Å; W122-I277 HydrophobicContact CZ2-CD1 4.24Å; W122-I277 HydrophobicContact CZ2-CG1 3.81Å; W122-I277 HydrophobicContact CZ2-CG2 4.27Å; W122-I277 HydrophobicContact CZ3-CB 4.44Å; W122-I277 HydrophobicContact CZ3-CG1 4.45Å; W122-I277 HydrophobicContact CZ3-CG2 3.81Å; T123-I277 HydrophobicContact CG2-CG2 4.13Å; M126-I277 HydrophobicContact CB-CD1 3.72Å; M126-I277 HydrophobicContact CB-CG2 4.21Å; M126-I277 HydrophobicContact CE-CD1 3.46Å; M126-I277 VanDerWaalsContact CE-CD1 3.46Å; M126-I277 HydrophobicContact CG-CD1 4Å; D273-I277 VanDerWaalsContact O-CG1 3.28Å; D273-I277 WeakPolarHBondContact O-CG1 3.13Å; D273-I277 PolarHBondContact O-N 3.25Å; D273-I277 VanDerWaalsContact O-N 3.08Å; T274-I277 PolarHBondContact O-N 3.15Å; I277-G279 VanDerWaalsContact C-N 3.33Å; I277-G279 PolarHBondContact O-N 3.27Å; I277-V280 PolarHBondContact O-N 3.4Å; I277-C281 PolarHBondContact O-N 3.39Å |
| 278 | L | 95.6 | Very high | 91 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.7 | -67 | 175.5 | 0 | 0 | 0 | 111.8 | T123 Y127 L254 L257 S258 T274 C281 A282 | T123-L278 HydrophobicContact CG2-CD2 3.85Å; Y127-L278 HydrophobicContact CD2-CD1 3.93Å; Y127-L278 HydrophobicContact CD2-CD2 4.06Å; Y127-L278 HydrophobicContact CD2-CG 4.38Å; Y127-L278 HydrophobicContact CE2-CD1 4.13Å; L254-L278 HydrophobicContact CB-CB 4.28Å; L254-L278 HydrophobicContact CD2-CD2 3.63Å; L257-L278 HydrophobicContact CB-CD1 4.12Å; S258-L278 VanDerWaalsContact OG-CD1 3.22Å; S258-L278 WeakPolarHBondContact OG-CD1 3.43Å; T274-L278 HydrophobicContact CG2-CD1 3.88Å; T274-L278 HydrophobicContact CG2-CG 4.27Å; T274-L278 VanDerWaalsContact O-CG 3.32Å; T274-L278 WeakPolarHBondContact O-CG 3.33Å; T274-L278 PolarHBondContact O-N 3.26Å; L278-C281 PolarHBondContact O-N 3.19Å; L278-A282 WeakPolarHBondContact O-CB 3.3Å; L278-A282 PolarHBondContact O-N 3.42Å |
| 279 | G | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T275 T276 I277 A282 G283 Y373 T374 | T275-G279 PolarHBondContact O-N 3.47Å; T276-G279 PolarHBondContact O-N 3.24Å; I277-G279 VanDerWaalsContact C-N 3.33Å; I277-G279 PolarHBondContact O-N 3.27Å; G279-A282 PolarHBondContact O-N 3.46Å; G279-G283 PolarHBondContact O-N 3.47Å; G279-Y373 CarbonylContact O-C 3.33Å; G279-T374 WeakPolarHBondContact O-CA 3.43Å; G279-T374 PolarHBondContact O-N 3.44Å; G279-T374 PolarHBondContact O-OG1 3.35Å; G279-T374 VanDerWaalsContact O-OG1 3.04Å |
| 280 | V | 95 | Very high | 92.4 | Very high | 26 Ų | 26 | 11.7 Ų | 11.7 | 16% | 0.158 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.7 | T276 I277 A282 G283 C284 Y373 | T276-V280 WeakPolarHBondContact O-CG2 3.44Å; T276-V280 PolarHBondContact O-N 2.86Å; I277-V280 PolarHBondContact O-N 3.4Å; V280-A282 VanDerWaalsContact C-N 3.32Å; V280-A282 PolarHBondContact O-N 2.98Å; V280-G283 PolarHBondContact O-N 3.45Å; V280-C284 WeakPolarHBondContact O-CB 3.18Å; V280-C284 PolarHBondContact O-N 2.86Å; V280-C284 PolarHBondContact O-SG 3.5Å; V280-C284 VanDerWaalsContact O-SG 3.38Å; V280-Y373 WeakPolarHBondContact CA-O 3.38Å; V280-Y373 HydrophobicContact CG2-CD1 3.66Å; V280-Y373 HydrophobicContact CG2-CG 4.09Å |
| 281 | C | 95.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 12.1 Ų | 12.1 | 5% | 0.054 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | V119 T123 L254 I277 L278 G283 C284 S285 | V119-C281 HydrophobicContact CG1-CB 4.33Å; T123-C281 HydrophobicContact CG2-CB 3.65Å; T123-C281 VanDerWaalsContact OG1-CB 3.29Å; T123-C281 WeakPolarHBondContact OG1-CB 3.35Å; L254-C281 HydrophobicContact CD1-CB 3.97Å; I277-C281 PolarHBondContact O-N 3.39Å; L278-C281 PolarHBondContact O-N 3.19Å; C281-G283 PolarHBondContact O-N 3.28Å; C281-C284 PolarHBondContact O-N 3.15Å; C281-S285 WeakPolarHBondContact O-CB 3.25Å; C281-S285 PolarHBondContact O-N 2.97Å; C281-S285 PolarHBondContact O-OG 2.99Å |
| 282 | A | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L251 L254 L278 G279 V280 S285 V286 F370 | L251-A282 HydrophobicContact CD2-CB 3.98Å; L254-A282 HydrophobicContact CB-CB 4.3Å; L254-A282 HydrophobicContact CD1-CB 3.64Å; L278-A282 WeakPolarHBondContact O-CB 3.3Å; L278-A282 PolarHBondContact O-N 3.42Å; G279-A282 PolarHBondContact O-N 3.46Å; V280-A282 VanDerWaalsContact C-N 3.32Å; V280-A282 PolarHBondContact O-N 2.98Å; A282-S285 PolarHBondContact O-N 2.96Å; A282-V286 VanDerWaalsContact O-CG2 3.27Å; A282-V286 WeakPolarHBondContact O-CG2 3.29Å; A282-V286 PolarHBondContact O-N 2.68Å; A282-F370 HydrophobicContact CB-CE2 4.45Å; A282-F370 HydrophobicContact CB-CZ 3.94Å |
| 283 | G | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | G279 V280 C281 G287 T374 L378 | G279-G283 PolarHBondContact O-N 3.47Å; V280-G283 PolarHBondContact O-N 3.45Å; C281-G283 PolarHBondContact O-N 3.28Å; G283-G287 PolarHBondContact O-N 3.48Å; G283-T374 WeakPolarHBondContact CA-O 3.39Å; G283-L378 WeakPolarHBondContact O-CD2 3.39Å |
| 284 | C | 94.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.02 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 175.6 | -73.4 | 0 | 0 | 0 | 0 | 111.1 | V119 V280 C281 G287 Y288 | V119-C284 HydrophobicContact CG1-CB 4.26Å; V280-C284 WeakPolarHBondContact O-CB 3.18Å; V280-C284 PolarHBondContact O-N 2.86Å; V280-C284 PolarHBondContact O-SG 3.5Å; V280-C284 VanDerWaalsContact O-SG 3.38Å; C281-C284 PolarHBondContact O-N 3.15Å; C284-G287 PolarHBondContact O-N 3.29Å; C284-G287 VanDerWaalsContact O-N 3.14Å; C284-Y288 HydrophobicContact CB-CD2 4.28Å; C284-Y288 HydrophobicContact CB-CE2 3.87Å; C284-Y288 WeakPolarHBondContact O-CD2 3.2Å; C284-Y288 PolarHBondContact O-N 2.93Å |
| 285 | S | 94.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | -179.5 | -67.2 | 0 | 0 | 0 | 0 | 113 | Q240 C281 A282 G287 Y288 W289 | Q240-S285 PolarHBondContact NE2-OG 3.44Å; C281-S285 WeakPolarHBondContact O-CB 3.25Å; C281-S285 PolarHBondContact O-N 2.97Å; C281-S285 PolarHBondContact O-OG 2.99Å; A282-S285 PolarHBondContact O-N 2.96Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.85Å; S285-Y288 PolarHBondContact O-N 3.29Å; S285-W289 PolarHBondContact O-N 3.44Å; S285-W289 VanDerWaalsContact O-N 3.13Å |
| 286 | V | 95.2 | Very high | 90.7 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 174 | 177 | 0 | 0 | 0 | 0 | 110.6 | P247 L251 A282 W289 A290 L378 | P247-V286 HydrophobicContact CB-CB 4.34Å; P247-V286 HydrophobicContact CB-CG1 4.15Å; P247-V286 HydrophobicContact CB-CG2 3.79Å; L251-V286 HydrophobicContact CD1-CG2 3.85Å; L251-V286 HydrophobicContact CD2-CG2 4.25Å; L251-V286 HydrophobicContact CG-CG2 3.77Å; A282-V286 VanDerWaalsContact O-CG2 3.27Å; A282-V286 WeakPolarHBondContact O-CG2 3.29Å; A282-V286 PolarHBondContact O-N 2.68Å; V286-W289 PolarHBondContact O-N 2.95Å; V286-A290 WeakPolarHBondContact O-CB 3.38Å; V286-A290 PolarHBondContact O-N 3.34Å; V286-L378 HydrophobicContact CB-CD2 3.89Å; V286-L378 HydrophobicContact CG1-CD2 3.73Å |
| 287 | G | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G283 C284 S285 A290 N291 | G283-G287 PolarHBondContact O-N 3.48Å; C284-G287 PolarHBondContact O-N 3.29Å; C284-G287 VanDerWaalsContact O-N 3.14Å; S285-G287 VanDerWaalsContact C-N 3.3Å; S285-G287 PolarHBondContact O-N 2.85Å; G287-A290 PolarHBondContact O-N 3.37Å; G287-N291 VanDerWaalsContact O-CG 3.3Å; G287-N291 PolarHBondContact O-N 2.8Å; G287-N291 PolarHBondContact O-ND2 2.96Å |
| 288 | Y | 92.1 | Very high | 88.3 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 4% | 0.039 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176 | -69.5 | -57.9 | 0 | 0 | 0 | 112.1 | H107 P112 R116 C284 S285 N291 V292 | H107-Y288 AromaticContact CE1-CE1 3.43Å; H107-Y288 VanDerWaalsContact CE1-CE1 3.43Å; H107-Y288 WeakPolarHBondContact CE1-CE1 3.35Å; H107-Y288 AromaticContact ND1-CE1 3.57Å; H107-Y288 AromaticContact ND1-CZ 3.85Å; H107-Y288 PolarHBondContact ND1-OH 3.49Å; P112-Y288 HydrophobicContact CB-CE1 4.32Å; R116-Y288 HydrophobicContact CB-CD2 4.14Å; R116-Y288 HydrophobicContact CB-CE1 4.36Å; R116-Y288 HydrophobicContact CB-CE2 3.73Å; R116-Y288 HydrophobicContact CG-CD2 3.81Å; R116-Y288 HydrophobicContact CG-CE2 3.85Å; R116-Y288 HydrophobicContact CG-CG 4.39Å; C284-Y288 HydrophobicContact CB-CD2 4.28Å; C284-Y288 HydrophobicContact CB-CE2 3.87Å; C284-Y288 WeakPolarHBondContact O-CD2 3.2Å; C284-Y288 PolarHBondContact O-N 2.93Å; S285-Y288 PolarHBondContact O-N 3.29Å; Y288-N291 PolarHBondContact O-N 3.37Å; Y288-V292 PolarHBondContact O-N 3.45Å |
| 289 | W | 93.6 | Very high | 87.1 | Confident | 59 Ų | 59 | 32.6 Ų | 32.6 | 22% | 0.223 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 174.2 | 178.5 | 87.3 | 0 | 0 | 0 | 111.2 | S243 P247 S285 V286 N291 V292 Q293 | S243-W289 PolarHBondContact O-NE1 2.81Å; P247-W289 HydrophobicContact CB-CE3 4.45Å; P247-W289 HydrophobicContact CG-CD2 3.9Å; P247-W289 HydrophobicContact CG-CE3 3.95Å; P247-W289 HydrophobicContact CG-CG 4.4Å; P247-W289 HydrophobicContact CG-CH2 4.44Å; P247-W289 HydrophobicContact CG-CZ2 4.39Å; P247-W289 HydrophobicContact CG-CZ3 4.23Å; S285-W289 PolarHBondContact O-N 3.44Å; S285-W289 VanDerWaalsContact O-N 3.13Å; V286-W289 PolarHBondContact O-N 2.95Å; W289-N291 VanDerWaalsContact C-N 3.33Å; W289-N291 PolarHBondContact O-N 2.89Å; W289-V292 PolarHBondContact O-N 2.86Å; W289-V292 VanDerWaalsContact O-N 3.17Å; W289-Q293 HydrophobicContact CD2-CG 3.95Å; W289-Q293 HydrophobicContact CE3-CG 4.19Å; W289-Q293 HydrophobicContact CH2-CG 3.94Å; W289-Q293 HydrophobicContact CZ2-CG 3.68Å; W289-Q293 HydrophobicContact CZ3-CG 4.19Å; W289-Q293 WeakPolarHBondContact O-CG 3.46Å; W289-Q293 PolarHBondContact O-N 3.48Å; W289-Q293 VanDerWaalsContact O-N 3.09Å |
| 290 | A | 91.4 | Very high | 85.6 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V286 G287 V292 Q293 L294 I382 | V286-A290 WeakPolarHBondContact O-CB 3.38Å; V286-A290 PolarHBondContact O-N 3.34Å; G287-A290 PolarHBondContact O-N 3.37Å; A290-V292 VanDerWaalsContact C-N 3.32Å; A290-V292 PolarHBondContact O-N 3.19Å; A290-Q293 PolarHBondContact O-N 2.97Å; A290-L294 WeakPolarHBondContact O-CB 3.34Å; A290-L294 WeakPolarHBondContact O-CD1 3.49Å; A290-L294 WeakPolarHBondContact O-CG 3.41Å; A290-L294 PolarHBondContact O-N 3.47Å; A290-I382 HydrophobicContact CB-CD1 3.99Å |
| 291 | N | 88.9 | Confident | 84 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.7 | -76.3 | -22 | 0 | 0 | 0 | 112.6 | G287 Y288 W289 L294 G295 D296 S381 | G287-N291 VanDerWaalsContact O-CG 3.3Å; G287-N291 PolarHBondContact O-N 2.8Å; G287-N291 PolarHBondContact O-ND2 2.96Å; Y288-N291 PolarHBondContact O-N 3.37Å; W289-N291 VanDerWaalsContact C-N 3.33Å; W289-N291 PolarHBondContact O-N 2.89Å; N291-L294 PolarHBondContact O-N 2.9Å; N291-G295 PolarHBondContact O-N 3.46Å; N291-D296 PolarHBondContact O-N 2.7Å; N291-S381 PolarHBondContact ND2-O 2.96Å |
| 292 | V | 88.3 | Confident | 82.6 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 30% | 0.297 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L241 Y288 W289 A290 L294 G295 T297 | L241-V292 HydrophobicContact CB-CG2 4.17Å; L241-V292 HydrophobicContact CD1-CG2 4.18Å; L241-V292 HydrophobicContact CD2-CG2 3.8Å; L241-V292 HydrophobicContact CG-CG2 4.24Å; Y288-V292 PolarHBondContact O-N 3.45Å; W289-V292 PolarHBondContact O-N 2.86Å; W289-V292 VanDerWaalsContact O-N 3.17Å; A290-V292 VanDerWaalsContact C-N 3.32Å; A290-V292 PolarHBondContact O-N 3.19Å; V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 3.18Å; V292-G295 PolarHBondContact O-N 2.77Å; V292-G295 VanDerWaalsContact O-N 3.13Å; V292-T297 HydrophobicContact CB-CG2 4.46Å; V292-T297 HydrophobicContact CG2-CG2 3.82Å |
| 293 | Q | 87.7 | Confident | 81.3 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -31.2 | 179.3 | -60.9 | -56.1 | -29.4 | 0 | 0 | 113 | W289 A290 G295 | W289-Q293 HydrophobicContact CD2-CG 3.95Å; W289-Q293 HydrophobicContact CE3-CG 4.19Å; W289-Q293 HydrophobicContact CH2-CG 3.94Å; W289-Q293 HydrophobicContact CZ2-CG 3.68Å; W289-Q293 HydrophobicContact CZ3-CG 4.19Å; W289-Q293 WeakPolarHBondContact O-CG 3.46Å; W289-Q293 PolarHBondContact O-N 3.48Å; W289-Q293 VanDerWaalsContact O-N 3.09Å; A290-Q293 PolarHBondContact O-N 2.97Å; Q293-G295 VanDerWaalsContact C-N 3.3Å |
| 294 | L | 84 | Confident | 80.5 | Confident | 98 Ų | 98 | 55.7 Ų | 55.7 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6.3 | 176.7 | -66.7 | 167.2 | 0 | 0 | 0 | 113 | A290 N291 V292 D296 | A290-L294 WeakPolarHBondContact O-CB 3.34Å; A290-L294 WeakPolarHBondContact O-CD1 3.49Å; A290-L294 WeakPolarHBondContact O-CG 3.41Å; A290-L294 PolarHBondContact O-N 3.47Å; N291-L294 PolarHBondContact O-N 2.9Å; V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 3.18Å; L294-D296 PolarHBondContact O-N 3.36Å |
| 295 | G | 74.1 | Confident | 79.8 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 1.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | N291 V292 Q293 T297 | N291-G295 PolarHBondContact O-N 3.46Å; V292-G295 PolarHBondContact O-N 2.77Å; V292-G295 VanDerWaalsContact O-N 3.13Å; Q293-G295 VanDerWaalsContact C-N 3.3Å; G295-T297 VanDerWaalsContact C-N 3.34Å; G295-T297 PolarHBondContact O-N 3.44Å |
| 296 | D | 67.6 | Low | 79.1 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | trans | -91.3 | 59.6 | -177.8 | -69 | -31.2 | 0 | 0 | 0 | 110.8 | N291 L294 F298 R386 | N291-D296 PolarHBondContact O-N 2.7Å; L294-D296 PolarHBondContact O-N 3.36Å; D296-F298 HydrophobicContact CB-CE2 4.06Å; D296-F298 VanDerWaalsContact O-CD2 3.22Å; D296-F298 WeakPolarHBondContact O-CD2 3.5Å; D296-F298 WeakPolarHBondContact O-CE2 3.28Å; D296-F298 PolarHBondContact O-N 3.25Å; D296-R386 IonicContact OD2-CZ 3.71Å; D296-R386 IonicContact OD2-NE 3.67Å; D296-R386 IonicContact OD2-NH2 2.88Å; D296-R386 PolarHBondContact OD2-NH2 3.19Å | ||
| 297 | T | 66.2 | Low | 78.3 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | trans | -81.8 | 107.4 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | V292 G295 E299 | V292-T297 HydrophobicContact CB-CG2 4.46Å; V292-T297 HydrophobicContact CG2-CG2 3.82Å; G295-T297 VanDerWaalsContact C-N 3.34Å; G295-T297 PolarHBondContact O-N 3.44Å; T297-E299 PolarHBondContact O-N 3.39Å | ||
| 298 | F | 68.6 | Low | 77.3 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -75.8 | 22.9 | 174.1 | -62.4 | -89.5 | 0 | 0 | 0 | 112.8 | P112 D296 N385 L394 | P112-F298 HydrophobicContact CG-CB 4.31Å; D296-F298 HydrophobicContact CB-CE2 4.06Å; D296-F298 VanDerWaalsContact O-CD2 3.22Å; D296-F298 WeakPolarHBondContact O-CD2 3.5Å; D296-F298 WeakPolarHBondContact O-CE2 3.28Å; D296-F298 PolarHBondContact O-N 3.25Å; F298-N385 HydrophobicContact CD1-CB 4.15Å; F298-N385 HydrophobicContact CD2-CB 3.63Å; F298-N385 HydrophobicContact CE1-CB 3.9Å; F298-N385 HydrophobicContact CE2-CB 3.38Å; F298-N385 HydrophobicContact CG-CB 4.03Å; F298-N385 HydrophobicContact CZ-CB 3.53Å; F298-L394 HydrophobicContact CD1-CD2 3.75Å; F298-L394 HydrophobicContact CE1-CD1 4.12Å; F298-L394 HydrophobicContact CE1-CD2 4Å | ||
| 299 | E | 70.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 73 Ų | 73 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -80 | 143.9 | 175.7 | -66.3 | -158.4 | -170.9 | 0 | 0 | 110.2 | P112 R116 R181 T297 R301 | P112-E299 HydrophobicContact CB-CG 4.49Å; R116-E299 IonicContact NH2-OE1 2.96Å; R181-E299 IonicContact CZ-OE2 3.54Å; R181-E299 IonicContact NH1-OE2 3.33Å; R181-E299 PolarHBondContact NH1-OE2 3Å; R181-E299 IonicContact NH2-OE2 2.77Å; R181-E299 PolarHBondContact NH2-OE2 2.77Å; T297-E299 PolarHBondContact O-N 3.39Å; E299-R301 PolarHBondContact O-N 2.95Å; E299-R301 VanDerWaalsContact O-N 3.13Å |
| 300 | P | 65.1 | Low | 75.4 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 38% | 0.383 | 44% | 0.439 | S | S | . | . | trans | -54.4 | 119.4 | 176.7 | -22.8 | 31.8 | 0 | 0 | 0 | 111.4 | ||||
| 301 | R | 60.9 | Low | 74.8 | Confident | 209 Ų | 209 | 81.1 Ų | 81.1 | 79% | 0.789 | 47% | 0.47 | S | S | * | . | trans | -88.3 | 114.7 | 175.1 | -63.6 | -178 | -177.8 | 173.7 | -0.5 | 109 | E299 | E299-R301 PolarHBondContact O-N 2.95Å; E299-R301 VanDerWaalsContact O-N 3.13Å | ||
| 302 | G | 65.3 | Low | 74.7 | Confident | 53 Ų | 53 | 83.8 Ų | 83.8 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 155.9 | -176.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L304 | G302-L304 PolarHBondContact O-N 2.9Š|
| 303 | P | 70.4 | Confident | 74.5 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 81% | 0.812 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -67.1 | 116.9 | 173.9 | 28.3 | -32.1 | 0 | 0 | 0 | 109.6 | ||
| 304 | L | 79.2 | Confident | 74.4 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 38% | 0.377 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -92 | 147.5 | 172.4 | -64.1 | 169.2 | 0 | 0 | 0 | 109.1 | G302 V306 | G302-L304 PolarHBondContact O-N 2.9Å; L304-V306 HydrophobicContact CD2-CG2 3.94Å |
| 305 | P | 78.8 | Confident | 74.3 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 31% | 0.312 | 50% | 0.503 | S | S | . | . | S | Bend | cis | -82.2 | 143 | -1.4 | 30.5 | -34 | 0 | 0 | 0 | 113.8 | R181 Q183 | R181-P305 CarbonylContact O-C 3.59Å; R181-P305 WeakPolarHBondContact O-CA 3.32Å; Q183-P305 HydrophobicContact CG-CB 3.79Å; Q183-P305 HydrophobicContact CG-CG 3.6Å; Q183-P305 PolarHBondContact NE2-O 3.38Å |
| 306 | V | 79.8 | Confident | 74.8 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139 | 179.6 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | R181 V182 Q183 L304 | R181-V306 PolarHBondContact O-N 3.48Å; V182-V306 WeakPolarHBondContact CA-O 3.38Å; Q183-V306 PolarHBondContact N-O 3.2Å; L304-V306 HydrophobicContact CD2-CG2 3.94Å |
| 307 | P | 79 | Confident | 75.7 | Confident | 82 Ų | 82 | 85 Ų | 85 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 144 | 170 | 26.4 | -34.6 | 0 | 0 | 0 | 111 | P309 | P307-P309 WeakPolarHBondContact O-CD 3.46Å; P307-P309 VanDerWaalsContact O-N 3.12Å |
| 308 | L | 71.9 | Confident | 76.6 | Confident | 109 Ų | 109 | 88.6 Ų | 88.6 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 118.9 | 174.5 | -94.2 | 150.5 | 0 | 0 | 0 | 109.8 | V182 Q183 F184 | V182-L308 HydrophobicContact CG1-CD1 4.38Å; V182-L308 HydrophobicContact CG1-CD2 4.19Å; V182-L308 HydrophobicContact CG1-CG 3.7Å; Q183-L308 WeakPolarHBondContact O-CD1 3.33Å; F184-L308 HydrophobicContact CB-CD1 3.74Å |
| 309 | P | 69.7 | Low | 77.4 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 144.6 | -179.6 | 24.1 | -31.8 | 0 | 0 | 0 | 109.9 | P307 V311 | P307-P309 WeakPolarHBondContact O-CD 3.46Å; P307-P309 VanDerWaalsContact O-N 3.12Å; P309-V311 PolarHBondContact O-N 3.19Å |
| 310 | T | 75.4 | Confident | 78.2 | Confident | 115 Ų | 115 | 86.7 Ų | 86.7 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 129.4 | 175.7 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | T312 | T310-T312 VanDerWaalsContact C-N 3.34Å; T310-T312 PolarHBondContact O-N 3.48Å |
| 311 | V | 79.5 | Confident | 79.2 | Confident | 130 Ų | 130 | 85.1 Ų | 85.1 | 79% | 0.788 | 52% | 0.517 | S | S | * | . | trans | -73.6 | 92.5 | 178.4 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | P309 V316 | P309-V311 PolarHBondContact O-N 3.19Å; V311-V316 HydrophobicContact CG1-CG2 3.5Å; V311-V316 VanDerWaalsContact CG1-CG2 3.5Å | ||
| 312 | T | 85.6 | Confident | 80.5 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | trans | -94.7 | 150.4 | 174.1 | 60.6 | 0 | 0 | 0 | 0 | 109.4 | T310 L314 S315 V316 | T310-T312 VanDerWaalsContact C-N 3.34Å; T310-T312 PolarHBondContact O-N 3.48Å; T312-L314 PolarHBondContact O-N 3.48Å; T312-L314 VanDerWaalsContact O-N 3.14Å; T312-S315 PolarHBondContact N-OG 3.45Å; T312-S315 VanDerWaalsContact N-OG 3.14Å; T312-S315 PolarHBondContact O-N 3.06Å; T312-S315 VanDerWaalsContact O-N 3.07Å; T312-S315 PolarHBondContact O-OG 3.39Å; T312-S315 WeakPolarHBondContact OG1-CB 3.49Å; T312-S315 PolarHBondContact OG1-N 2.96Å; T312-S315 PolarHBondContact OG1-OG 2.98Å; T312-S315 VanDerWaalsContact OG1-OG 3.13Å; T312-V316 WeakPolarHBondContact O-CG2 3.42Å; T312-V316 PolarHBondContact O-N 3.47Å | ||
| 313 | A | 85.7 | Confident | 81.6 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 74% | 0.744 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.8 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A317 | A313-A317 VanDerWaalsContact O-CB 3.26Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 3.47Å |
| 314 | L | 85 | Confident | 82.6 | Confident | 103 Ų | 103 | 75 Ų | 75 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 176.5 | -176.4 | 62.6 | 0 | 0 | 0 | 112.8 | T312 V316 A317 R318 | T312-L314 PolarHBondContact O-N 3.48Å; T312-L314 VanDerWaalsContact O-N 3.14Å; L314-V316 VanDerWaalsContact C-N 3.34Å; L314-A317 PolarHBondContact O-N 3.33Å; L314-R318 HydrophobicContact CD1-CG 4.41Å; L314-R318 WeakPolarHBondContact O-CB 3.44Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.48Å |
| 315 | S | 81.4 | Confident | 83.1 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 37% | 0.371 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177.5 | 63 | 0 | 0 | 0 | 0 | 111.6 | T312 G319 | T312-S315 PolarHBondContact N-OG 3.45Å; T312-S315 VanDerWaalsContact N-OG 3.14Å; T312-S315 PolarHBondContact O-N 3.06Å; T312-S315 VanDerWaalsContact O-N 3.07Å; T312-S315 PolarHBondContact O-OG 3.39Å; T312-S315 WeakPolarHBondContact OG1-CB 3.49Å; T312-S315 PolarHBondContact OG1-N 2.96Å; T312-S315 PolarHBondContact OG1-OG 2.98Å; T312-S315 VanDerWaalsContact OG1-OG 3.13Å; S315-G319 PolarHBondContact O-N 3.07Å |
| 316 | V | 85 | Confident | 83.6 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | V311 T312 L314 G319 A320 | V311-V316 HydrophobicContact CG1-CG2 3.5Å; V311-V316 VanDerWaalsContact CG1-CG2 3.5Å; T312-V316 WeakPolarHBondContact O-CG2 3.42Å; T312-V316 PolarHBondContact O-N 3.47Å; L314-V316 VanDerWaalsContact C-N 3.34Å; V316-G319 PolarHBondContact O-N 2.92Å; V316-A320 WeakPolarHBondContact O-CB 3.15Å; V316-A320 PolarHBondContact O-N 2.73Å |
| 317 | A | 86.5 | Confident | 84.1 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 50% | 0.496 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A313 L314 A320 G321 | A313-A317 VanDerWaalsContact O-CB 3.26Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 3.47Å; L314-A317 PolarHBondContact O-N 3.33Å; A317-A320 PolarHBondContact O-N 3.05Å; A317-G321 PolarHBondContact O-N 3.25Å |
| 318 | R | 84.6 | Confident | 84.7 | Confident | 130 Ų | 130 | 71.1 Ų | 71.1 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.3 | -75.7 | -179.4 | 178.9 | 171 | 0.2 | 111.4 | L314 G321 R322 | L314-R318 HydrophobicContact CD1-CG 4.41Å; L314-R318 WeakPolarHBondContact O-CB 3.44Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.48Å; R318-G321 PolarHBondContact O-N 2.91Å; R318-R322 WeakPolarHBondContact O-CG 3.24Å; R318-R322 PolarHBondContact O-N 2.98Å |
| 319 | G | 85.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N109 S315 V316 G321 R322 S323 | N109-G319 WeakPolarHBondContact OD1-CA 3.48Å; N109-G319 PolarHBondContact OD1-O 3.33Å; S315-G319 PolarHBondContact O-N 3.07Å; V316-G319 PolarHBondContact O-N 2.92Å; G319-G321 VanDerWaalsContact C-N 3.32Å; G319-G321 PolarHBondContact O-N 3.08Å; G319-R322 PolarHBondContact O-N 3.44Å; G319-S323 WeakPolarHBondContact O-CB 3.26Å; G319-S323 PolarHBondContact O-N 3.03Å; G319-S323 PolarHBondContact O-OG 2.85Å; G319-S323 VanDerWaalsContact O-OG 3.07Å |
| 320 | A | 87.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 49% | 0.488 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V316 A317 S323 L324 | V316-A320 WeakPolarHBondContact O-CB 3.15Å; V316-A320 PolarHBondContact O-N 2.73Å; A317-A320 PolarHBondContact O-N 3.05Å; A320-S323 PolarHBondContact O-N 2.74Å; A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 3Å |
| 321 | G | 87.3 | Confident | 87.4 | Confident | 25 Ų | 25 | 60 Ų | 60 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A317 R318 G319 L324 V325 | A317-G321 PolarHBondContact O-N 3.25Å; R318-G321 PolarHBondContact O-N 2.91Å; G319-G321 VanDerWaalsContact C-N 3.32Å; G319-G321 PolarHBondContact O-N 3.08Å; G321-L324 PolarHBondContact O-N 3.5Å; G321-V325 WeakPolarHBondContact O-CG2 3.46Å; G321-V325 PolarHBondContact O-N 2.82Å |
| 322 | R | 87.5 | Confident | 87.9 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57 | -51.2 | 174.2 | -69.9 | 172.3 | -168.5 | 153.5 | 0.5 | 111.1 | R318 G319 L324 V325 G326 F388 L393 L394 | R318-R322 WeakPolarHBondContact O-CG 3.24Å; R318-R322 PolarHBondContact O-N 2.98Å; G319-R322 PolarHBondContact O-N 3.44Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 2.93Å; R322-V325 PolarHBondContact O-N 3.44Å; R322-G326 PolarHBondContact O-N 2.88Å; R322-F388 HydrophobicContact CB-CE1 3.97Å; R322-F388 HydrophobicContact CB-CE2 4Å; R322-F388 HydrophobicContact CB-CZ 3.64Å; R322-F388 HydrophobicContact CG-CD1 4.33Å; R322-F388 HydrophobicContact CG-CD2 4.37Å; R322-F388 HydrophobicContact CG-CE1 4.21Å; R322-F388 HydrophobicContact CG-CE2 4.23Å; R322-F388 HydrophobicContact CG-CG 4.42Å; R322-F388 HydrophobicContact CG-CZ 4.16Å; R322-F388 WeakPolarHBondContact O-CE1 3.15Å; R322-F388 WeakPolarHBondContact O-CZ 3Å; R322-L393 HydrophobicContact CG-CD2 4.2Å; R322-L393 PolarHBondContact NE-O 3.34Å; R322-L393 PolarHBondContact NH2-O 3.38Å; R322-L394 PolarHBondContact NH2-O 3.17Å; R322-L394 PolarHBondContact NH2-OXT 3.27Å |
| 323 | S | 89.2 | Confident | 88.3 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | C105 N109 G319 A320 V327 | C105-S323 VanDerWaalsContact SG-CB 3.53Å; C105-S323 PolarHBondContact SG-OG 3.4Å; N109-S323 PolarHBondContact ND2-OG 2.72Å; G319-S323 WeakPolarHBondContact O-CB 3.26Å; G319-S323 PolarHBondContact O-N 3.03Å; G319-S323 PolarHBondContact O-OG 2.85Å; G319-S323 VanDerWaalsContact O-OG 3.07Å; A320-S323 PolarHBondContact O-N 2.74Å; S323-V327 VanDerWaalsContact O-CB 3.32Å; S323-V327 WeakPolarHBondContact O-CB 3.3Å; S323-V327 WeakPolarHBondContact O-CG2 3.46Å; S323-V327 PolarHBondContact O-N 2.94Å |
| 324 | L | 90 | Very high | 88.5 | Confident | 120 Ų | 120 | 50 Ų | 50 | 63% | 0.628 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.7 | -50.9 | 178.6 | -177.2 | 64.2 | 0 | 0 | 0 | 111.7 | A320 G321 R322 G326 V327 V328 | A320-L324 WeakPolarHBondContact O-CB 3.34Å; A320-L324 PolarHBondContact O-N 3Å; G321-L324 PolarHBondContact O-N 3.5Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-L324 PolarHBondContact O-N 2.93Å; L324-G326 VanDerWaalsContact C-N 3.32Å; L324-G326 PolarHBondContact O-N 3.36Å; L324-V327 PolarHBondContact O-N 2.77Å; L324-V328 VanDerWaalsContact O-CG2 3.31Å; L324-V328 WeakPolarHBondContact O-CG2 3.4Å; L324-V328 PolarHBondContact O-N 3.29Å |
| 325 | V | 90 | Very high | 88.8 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | G321 R322 V328 A329 V387 F388 | G321-V325 WeakPolarHBondContact O-CG2 3.46Å; G321-V325 PolarHBondContact O-N 2.82Å; R322-V325 PolarHBondContact O-N 3.44Å; V325-V328 PolarHBondContact O-N 3.07Å; V325-A329 PolarHBondContact O-N 3.25Å; V325-V387 HydrophobicContact CG1-CG1 4.15Å; V325-F388 HydrophobicContact CB-CE1 4.21Å; V325-F388 HydrophobicContact CG1-CE1 4.17Å |
| 326 | G | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R322 L324 V328 A329 L330 | R322-G326 PolarHBondContact O-N 2.88Å; L324-G326 VanDerWaalsContact C-N 3.32Å; L324-G326 PolarHBondContact O-N 3.36Å; G326-V328 VanDerWaalsContact C-N 3.32Å; G326-V328 PolarHBondContact O-N 3.34Å; G326-A329 WeakPolarHBondContact O-CB 3.24Å; G326-A329 PolarHBondContact O-N 2.89Å; G326-A329 VanDerWaalsContact O-N 3.13Å; G326-L330 WeakPolarHBondContact O-CG 3.22Å; G326-L330 PolarHBondContact O-N 3.32Å |
| 327 | V | 90.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 21% | 0.212 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.4 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | T101 S323 L324 A329 L330 V331 | T101-V327 HydrophobicContact CG2-CG1 4.19Å; T101-V327 HydrophobicContact CG2-CG2 3.92Å; S323-V327 VanDerWaalsContact O-CB 3.32Å; S323-V327 WeakPolarHBondContact O-CB 3.3Å; S323-V327 WeakPolarHBondContact O-CG2 3.46Å; S323-V327 PolarHBondContact O-N 2.94Å; L324-V327 PolarHBondContact O-N 2.77Å; V327-A329 VanDerWaalsContact C-N 3.33Å; V327-A329 PolarHBondContact O-N 2.95Å; V327-L330 PolarHBondContact O-N 3.4Å; V327-V331 HydrophobicContact CG1-CG2 4.18Å; V327-V331 WeakPolarHBondContact O-CB 2.93Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.45Å; V327-V331 PolarHBondContact O-N 2.81Å |
| 328 | V | 90.9 | Very high | 90.1 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 58% | 0.582 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 175 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L324 V325 G326 G332 | L324-V328 VanDerWaalsContact O-CG2 3.31Å; L324-V328 WeakPolarHBondContact O-CG2 3.4Å; L324-V328 PolarHBondContact O-N 3.29Å; V325-V328 PolarHBondContact O-N 3.07Å; G326-V328 VanDerWaalsContact C-N 3.32Å; G326-V328 PolarHBondContact O-N 3.34Å; V328-G332 PolarHBondContact O-N 3.02Å |
| 329 | A | 91.3 | Very high | 90.4 | Very high | 34 Ų | 34 | 50 Ų | 50 | 28% | 0.281 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V325 G326 V327 T333 V384 | V325-A329 PolarHBondContact O-N 3.25Å; G326-A329 WeakPolarHBondContact O-CB 3.24Å; G326-A329 PolarHBondContact O-N 2.89Å; G326-A329 VanDerWaalsContact O-N 3.13Å; V327-A329 VanDerWaalsContact C-N 3.33Å; V327-A329 PolarHBondContact O-N 2.95Å; A329-T333 WeakPolarHBondContact O-CB 3.38Å; A329-T333 PolarHBondContact O-N 3.24Å; A329-T333 PolarHBondContact O-OG1 3.22Å; A329-V384 HydrophobicContact CB-CG2 4.01Å |
| 330 | L | 91.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 178.9 | -64.1 | -177.6 | 0 | 0 | 0 | 112.3 | P104 W108 G326 V327 T333 R334 V376 V379 N380 | P104-L330 HydrophobicContact CB-CD1 3.87Å; P104-L330 HydrophobicContact CG-CD1 3.53Å; W108-L330 HydrophobicContact CH2-CD1 3.66Å; W108-L330 HydrophobicContact CH2-CG 4.15Å; W108-L330 HydrophobicContact CZ2-CD1 4Å; W108-L330 HydrophobicContact CZ2-CG 4.36Å; G326-L330 WeakPolarHBondContact O-CG 3.22Å; G326-L330 PolarHBondContact O-N 3.32Å; V327-L330 PolarHBondContact O-N 3.4Å; L330-T333 PolarHBondContact O-N 3.46Å; L330-R334 WeakPolarHBondContact O-CB 3.38Å; L330-R334 PolarHBondContact O-N 3.38Å; L330-V376 HydrophobicContact CB-CG1 4.4Å; L330-V376 HydrophobicContact CD2-CG1 4.02Å; L330-V376 WeakPolarHBondContact CD2-O 3.4Å; L330-V379 HydrophobicContact CD2-CB 4.34Å; L330-V379 HydrophobicContact CD2-CG1 3.94Å; L330-N380 HydrophobicContact CD1-CB 4.47Å; L330-N380 HydrophobicContact CD2-CB 3.75Å |
| 331 | V | 90.4 | Very high | 90.8 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.5 | 174 | 0 | 0 | 0 | 0 | 110.5 | V327 R334 Q335 | V327-V331 HydrophobicContact CG1-CG2 4.18Å; V327-V331 WeakPolarHBondContact O-CB 2.93Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.45Å; V327-V331 PolarHBondContact O-N 2.81Å; V331-R334 WeakPolarHBondContact O-CB 3.41Å; V331-R334 PolarHBondContact O-N 3.46Å; V331-Q335 WeakPolarHBondContact O-CG 3.33Å; V331-Q335 PolarHBondContact O-N 3.45Å |
| 332 | G | 91.3 | Very high | 90.9 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V328 R334 Q335 I336 | V328-G332 PolarHBondContact O-N 3.02Å; G332-R334 VanDerWaalsContact C-N 3.34Å; G332-R334 PolarHBondContact O-N 2.96Å; G332-Q335 PolarHBondContact O-N 3.46Å; G332-I336 VanDerWaalsContact O-CG1 3.32Å; G332-I336 WeakPolarHBondContact O-CG1 3.18Å; G332-I336 PolarHBondContact O-N 3.09Å |
| 333 | T | 92.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | A329 L330 Q335 I336 V337 A375 V376 V379 | A329-T333 WeakPolarHBondContact O-CB 3.38Å; A329-T333 PolarHBondContact O-N 3.24Å; A329-T333 PolarHBondContact O-OG1 3.22Å; L330-T333 PolarHBondContact O-N 3.46Å; T333-Q335 VanDerWaalsContact C-N 3.34Å; T333-Q335 PolarHBondContact O-N 2.8Å; T333-I336 PolarHBondContact O-N 3.31Å; T333-V337 HydrophobicContact CG2-CG2 3.98Å; T333-V337 WeakPolarHBondContact O-CB 3.48Å; T333-V337 VanDerWaalsContact O-CG2 3.3Å; T333-V337 WeakPolarHBondContact O-CG2 3.31Å; T333-V337 PolarHBondContact O-N 2.88Å; T333-A375 HydrophobicContact CG2-CB 4.18Å; T333-V376 HydrophobicContact CG2-CG2 4.4Å; T333-V379 HydrophobicContact CG2-CB 4.43Å; T333-V379 HydrophobicContact CG2-CG2 3.84Å |
| 334 | R | 91.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56 | -47.8 | 176.9 | -177.6 | -174.3 | -179.6 | -161.1 | 5.3 | 111.4 | N63 E96 L330 V331 G332 R338 T372 Y373 V376 | N63-R334 VanDerWaalsContact CB-NH2 3.32Å; N63-R334 PolarHBondContact ND2-NH2 3.49Å; E96-R334 IonicContact OE1-CZ 3Å; E96-R334 IonicContact OE1-NE 3.46Å; E96-R334 IonicContact OE1-NH2 3.5Å; E96-R334 PolarHBondContact OE1-NH2 3.28Å; E96-R334 IonicContact OE2-NH2 2.9Å; L330-R334 WeakPolarHBondContact O-CB 3.38Å; L330-R334 PolarHBondContact O-N 3.38Å; V331-R334 WeakPolarHBondContact O-CB 3.41Å; V331-R334 PolarHBondContact O-N 3.46Å; G332-R334 VanDerWaalsContact C-N 3.34Å; G332-R334 PolarHBondContact O-N 2.96Å; R334-R338 WeakPolarHBondContact O-CB 3.41Å; R334-R338 PolarHBondContact O-N 3.01Å; R334-T372 HydrophobicContact CG-CG2 4.16Å; R334-Y373 PolarHBondContact NE-OH 2.92Å; R334-Y373 PolarHBondContact NH2-OH 2.88Å; R334-V376 HydrophobicContact CB-CG2 3.94Å |
| 335 | Q | 91.5 | Very high | 90.8 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | -178 | -66.1 | -64.6 | -3 | 0 | 0 | 112.3 | V331 G332 T333 K339 | V331-Q335 WeakPolarHBondContact O-CG 3.33Å; V331-Q335 PolarHBondContact O-N 3.45Å; G332-Q335 PolarHBondContact O-N 3.46Å; T333-Q335 VanDerWaalsContact C-N 3.34Å; T333-Q335 PolarHBondContact O-N 2.8Å; Q335-K339 WeakPolarHBondContact O-CB 3.31Å; Q335-K339 PolarHBondContact O-N 2.77Å |
| 336 | I | 94.1 | Very high | 90.6 | Very high | 106 Ų | 106 | 49 Ų | 49 | 54% | 0.544 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -54.5 | -178.9 | -65.3 | 166.2 | 0 | 0 | 0 | 110.2 | G332 T333 R338 K339 L340 | G332-I336 VanDerWaalsContact O-CG1 3.32Å; G332-I336 WeakPolarHBondContact O-CG1 3.18Å; G332-I336 PolarHBondContact O-N 3.09Å; T333-I336 PolarHBondContact O-N 3.31Å; I336-R338 PolarHBondContact O-N 3.18Å; I336-K339 PolarHBondContact O-N 3.26Å; I336-L340 HydrophobicContact CG2-CD1 3.77Å; I336-L340 HydrophobicContact CG2-CG 4.4Å; I336-L340 WeakPolarHBondContact O-CG 3.24Å; I336-L340 PolarHBondContact O-N 3.2Å |
| 337 | V | 93.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.1 | -35.2 | -174.6 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | T333 K339 L340 S341 V371 T372 A375 | T333-V337 HydrophobicContact CG2-CG2 3.98Å; T333-V337 WeakPolarHBondContact O-CB 3.48Å; T333-V337 VanDerWaalsContact O-CG2 3.3Å; T333-V337 WeakPolarHBondContact O-CG2 3.31Å; T333-V337 PolarHBondContact O-N 2.88Å; V337-K339 PolarHBondContact O-N 3.49Å; V337-L340 PolarHBondContact O-N 3.38Å; V337-S341 VanDerWaalsContact O-CB 3.24Å; V337-S341 WeakPolarHBondContact O-CB 3.49Å; V337-S341 PolarHBondContact O-N 3.12Å; V337-S341 PolarHBondContact O-OG 3.19Å; V337-V371 HydrophobicContact CG1-CG1 4.12Å; V337-T372 HydrophobicContact CB-CG2 4.48Å; V337-A375 HydrophobicContact CB-CB 4.38Å; V337-A375 HydrophobicContact CG1-CB 4.06Å; V337-A375 HydrophobicContact CG2-CB 3.9Å |
| 338 | R | 90.8 | Very high | 90.4 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 173.4 | 179.7 | 174.4 | 157 | -174.9 | -13.5 | 111.7 | S62 N63 R334 I336 S341 L342 T372 | S62-R338 PolarHBondContact O-NH1 3.4Å; S62-R338 PolarHBondContact O-NH2 2.81Å; N63-R338 PolarHBondContact OD1-NH1 2.79Å; R334-R338 WeakPolarHBondContact O-CB 3.41Å; R334-R338 PolarHBondContact O-N 3.01Å; I336-R338 PolarHBondContact O-N 3.18Å; R338-S341 PolarHBondContact O-OG 3.13Å; R338-S341 VanDerWaalsContact O-OG 3.09Å; R338-L342 HydrophobicContact CG-CD1 4.05Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 VanDerWaalsContact O-CG 3.29Å; R338-L342 WeakPolarHBondContact O-CG 3.3Å; R338-L342 PolarHBondContact O-N 2.85Å; R338-L342 VanDerWaalsContact O-N 3.12Å; R338-T372 WeakPolarHBondContact CA-OG1 3.47Å; R338-T372 HydrophobicContact CB-CG2 3.9Å; R338-T372 PolarHBondContact N-OG1 2.87Å |
| 339 | K | 90.9 | Very high | 90.3 | Very high | 143 Ų | 143 | 61.7 Ų | 61.7 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.3 | -50.2 | 179 | -174.6 | -177.3 | 177.1 | -173.5 | 0 | 110.8 | Q335 I336 V337 S341 L342 D343 | Q335-K339 WeakPolarHBondContact O-CB 3.31Å; Q335-K339 PolarHBondContact O-N 2.77Å; I336-K339 PolarHBondContact O-N 3.26Å; V337-K339 PolarHBondContact O-N 3.49Å; K339-S341 PolarHBondContact O-N 3.41Å; K339-L342 PolarHBondContact O-N 2.97Å; K339-D343 WeakPolarHBondContact O-CB 3.41Å; K339-D343 PolarHBondContact O-N 3.15Å |
| 340 | L | 92.9 | Very high | 89.8 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | -179.4 | -67.4 | 175.6 | 0 | 0 | 0 | 112.3 | I336 V337 D343 A344 | I336-L340 HydrophobicContact CG2-CD1 3.77Å; I336-L340 HydrophobicContact CG2-CG 4.4Å; I336-L340 WeakPolarHBondContact O-CG 3.24Å; I336-L340 PolarHBondContact O-N 3.2Å; V337-L340 PolarHBondContact O-N 3.38Å; L340-D343 PolarHBondContact O-N 2.72Å; L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.27Å |
| 341 | S | 90.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 68 Ų | 68 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 179 | 61 | 0 | 0 | 0 | 0 | 112.3 | V337 R338 K339 L345 S368 T372 | V337-S341 VanDerWaalsContact O-CB 3.24Å; V337-S341 WeakPolarHBondContact O-CB 3.49Å; V337-S341 PolarHBondContact O-N 3.12Å; V337-S341 PolarHBondContact O-OG 3.19Å; R338-S341 PolarHBondContact O-OG 3.13Å; R338-S341 VanDerWaalsContact O-OG 3.09Å; K339-S341 PolarHBondContact O-N 3.41Å; S341-L345 WeakPolarHBondContact O-CB 3.27Å; S341-L345 WeakPolarHBondContact O-CD1 3.31Å; S341-L345 VanDerWaalsContact O-CG 3.31Å; S341-L345 WeakPolarHBondContact O-CG 3.37Å; S341-L345 PolarHBondContact O-N 3.49Å; S341-S368 PolarHBondContact OG-OG 2.87Å; S341-S368 VanDerWaalsContact OG-OG 3.05Å; S341-T372 PolarHBondContact OG-OG1 3.15Å |
| 342 | L | 87.6 | Confident | 88.9 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 175.7 | -73 | 173.1 | 0 | 0 | 0 | 111.9 | R338 K339 A344 L345 Y346 R359 I364 S368 | R338-L342 HydrophobicContact CG-CD1 4.05Å; R338-L342 WeakPolarHBondContact O-CB 3.46Å; R338-L342 VanDerWaalsContact O-CG 3.29Å; R338-L342 WeakPolarHBondContact O-CG 3.3Å; R338-L342 PolarHBondContact O-N 2.85Å; R338-L342 VanDerWaalsContact O-N 3.12Å; K339-L342 PolarHBondContact O-N 2.97Å; L342-A344 VanDerWaalsContact C-N 3.33Å; L342-A344 PolarHBondContact O-N 2.77Å; L342-L345 PolarHBondContact O-N 3.02Å; L342-Y346 WeakPolarHBondContact O-CB 3.45Å; L342-Y346 WeakPolarHBondContact O-CD2 3.23Å; L342-Y346 PolarHBondContact O-N 2.9Å; L342-R359 HydrophobicContact CD2-CG 4.48Å; L342-I364 HydrophobicContact CD2-CG2 4.25Å; L342-S368 WeakPolarHBondContact CD2-OG 3.35Å; L342-S368 WeakPolarHBondContact CG-OG 3.49Å |
| 343 | D | 87.2 | Confident | 88 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.9 | -78.2 | -28.3 | 0 | 0 | 0 | 111.3 | K339 L340 S347 K353 | K339-D343 WeakPolarHBondContact O-CB 3.41Å; K339-D343 PolarHBondContact O-N 3.15Å; L340-D343 PolarHBondContact O-N 2.72Å; D343-S347 WeakPolarHBondContact O-CB 3.47Å; D343-S347 PolarHBondContact O-N 2.84Å; D343-K353 WeakPolarHBondContact OD1-CE 3.22Å; D343-K353 IonicContact OD1-NZ 2.71Å; D343-K353 PolarHBondContact OD1-NZ 3.19Å; D343-K353 IonicContact OD2-NZ 3.88Å |
| 344 | A | 89.5 | Confident | 86.9 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 49% | 0.488 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L340 L342 S347 W348 | L340-A344 WeakPolarHBondContact O-CB 3.44Å; L340-A344 PolarHBondContact O-N 3.27Å; L342-A344 VanDerWaalsContact C-N 3.33Å; L342-A344 PolarHBondContact O-N 2.77Å; A344-S347 PolarHBondContact O-N 2.89Å; A344-W348 WeakPolarHBondContact O-CB 3.11Å; A344-W348 PolarHBondContact O-N 2.85Å |
| 345 | L | 88.3 | Confident | 86.1 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 179.8 | -73.3 | 164.7 | 0 | 0 | 0 | 112.4 | S341 L342 S347 W348 Y349 I364 P367 | S341-L345 WeakPolarHBondContact O-CB 3.27Å; S341-L345 WeakPolarHBondContact O-CD1 3.31Å; S341-L345 VanDerWaalsContact O-CG 3.31Å; S341-L345 WeakPolarHBondContact O-CG 3.37Å; S341-L345 PolarHBondContact O-N 3.49Å; L342-L345 PolarHBondContact O-N 3.02Å; L345-S347 VanDerWaalsContact C-N 3.32Å; L345-S347 PolarHBondContact O-N 3.36Å; L345-W348 PolarHBondContact O-N 3.27Å; L345-Y349 HydrophobicContact CD2-CD2 4.48Å; L345-Y349 HydrophobicContact CD2-CE2 4.07Å; L345-Y349 WeakPolarHBondContact O-CD2 3.5Å; L345-Y349 PolarHBondContact O-N 2.98Å; L345-I364 HydrophobicContact CB-CG2 4.34Å; L345-I364 HydrophobicContact CD1-CG2 4.41Å; L345-P367 HydrophobicContact CD1-CB 4.39Å; L345-P367 HydrophobicContact CD1-CG 4.05Å; L345-P367 HydrophobicContact CD2-CG 4.21Å |
| 346 | Y | 87.3 | Confident | 85 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 8% | 0.078 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.1 | -72.2 | -28.3 | 0 | 0 | 0 | 112.4 | L342 N350 V351 K353 A358 R359 I364 | L342-Y346 WeakPolarHBondContact O-CB 3.45Å; L342-Y346 WeakPolarHBondContact O-CD2 3.23Å; L342-Y346 PolarHBondContact O-N 2.9Å; Y346-N350 WeakPolarHBondContact O-CA 3.2Å; Y346-N350 PolarHBondContact O-N 3.28Å; Y346-N350 VanDerWaalsContact O-N 3.08Å; Y346-V351 HydrophobicContact CD1-CB 4.17Å; Y346-V351 HydrophobicContact CD1-CG1 4.33Å; Y346-V351 PolarHBondContact O-N 2.93Å; Y346-K353 HydrophobicContact CD2-CB 4.37Å; Y346-K353 HydrophobicContact CD2-CG 3.99Å; Y346-A358 HydrophobicContact CE1-CB 4.26Å; Y346-R359 WeakPolarHBondContact OH-CB 3.45Å; Y346-I364 HydrophobicContact CD1-CD1 4.21Å; Y346-I364 HydrophobicContact CE1-CD1 4.16Å; Y346-I364 HydrophobicContact CE1-CG2 4.16Å |
| 347 | S | 86.5 | Confident | 84.1 | Confident | 87 Ų | 87 | 81.7 Ų | 81.7 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 172.1 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | D343 A344 L345 N350 | D343-S347 WeakPolarHBondContact O-CB 3.47Å; D343-S347 PolarHBondContact O-N 2.84Å; A344-S347 PolarHBondContact O-N 2.89Å; L345-S347 VanDerWaalsContact C-N 3.32Å; L345-S347 PolarHBondContact O-N 3.36Å; S347-N350 PolarHBondContact O-N 3.04Å; S347-N350 PolarHBondContact O-OD1 3.45Å |
| 348 | W | 89.6 | Confident | 83.3 | Confident | 202 Ų | 202 | 80.3 Ų | 80.3 | 77% | 0.765 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | -178.8 | -174.4 | -90.3 | 0 | 0 | 0 | 112.7 | A344 L345 | A344-W348 WeakPolarHBondContact O-CB 3.11Å; A344-W348 PolarHBondContact O-N 2.85Å; L345-W348 PolarHBondContact O-N 3.27Å |
| 349 | Y | 86.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.5 | 179.8 | -73.1 | -76.2 | 0 | 0 | 0 | 113.9 | L345 V351 E363 I364 | L345-Y349 HydrophobicContact CD2-CD2 4.48Å; L345-Y349 HydrophobicContact CD2-CE2 4.07Å; L345-Y349 WeakPolarHBondContact O-CD2 3.5Å; L345-Y349 PolarHBondContact O-N 2.98Å; Y349-V351 WeakPolarHBondContact O-CG2 3.37Å; Y349-V351 PolarHBondContact O-N 3.43Å; Y349-E363 HydrophobicContact CE1-CB 4.48Å; Y349-E363 HydrophobicContact CE2-CB 4.4Å; Y349-I364 HydrophobicContact CD2-CD1 4.4Å; Y349-I364 HydrophobicContact CD2-CG1 4.04Å; Y349-I364 HydrophobicContact CE2-CG1 4.37Å |
| 350 | N | 82.6 | Confident | 82.1 | Confident | 149 Ų | 149 | 78 Ų | 78 | 80% | 0.797 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.5 | -176.8 | -71.9 | -47.6 | 0 | 0 | 0 | 113.6 | Y346 S347 | Y346-N350 WeakPolarHBondContact O-CA 3.2Å; Y346-N350 PolarHBondContact O-N 3.28Å; Y346-N350 VanDerWaalsContact O-N 3.08Å; S347-N350 PolarHBondContact O-N 3.04Å; S347-N350 PolarHBondContact O-OD1 3.45Å |
| 351 | V | 82.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 79 Ų | 79 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | trans | -100.7 | 134.2 | -178.5 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | Y346 Y349 K353 D355 A358 | Y346-V351 HydrophobicContact CD1-CB 4.17Å; Y346-V351 HydrophobicContact CD1-CG1 4.33Å; Y346-V351 PolarHBondContact O-N 2.93Å; Y349-V351 WeakPolarHBondContact O-CG2 3.37Å; Y349-V351 PolarHBondContact O-N 3.43Å; V351-K353 PolarHBondContact O-N 2.83Å; V351-D355 HydrophobicContact CG1-CB 4.33Å; V351-A358 HydrophobicContact CB-CB 4.46Å; V351-A358 HydrophobicContact CG1-CB 3.33Å | ||
| 352 | P | 78.9 | Confident | 81.3 | Confident | 82 Ų | 82 | 80 Ų | 80 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | trans | -63.9 | 132.9 | 173.3 | 25.3 | -32 | 0 | 0 | 0 | 111.6 | T354 D355 | P352-T354 PolarHBondContact O-N 3.09Å; P352-D355 HydrophobicContact CG-CB 4.44Å; P352-D355 PolarHBondContact O-N 2.95Å | ||
| 353 | K | 72.3 | Confident | 81.2 | Confident | 137 Ų | 137 | 83.4 Ų | 83.4 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.2 | -178.3 | -57.8 | -169 | -177.8 | -167 | 0 | 114.4 | D343 Y346 V351 | D343-K353 WeakPolarHBondContact OD1-CE 3.22Å; D343-K353 IonicContact OD1-NZ 2.71Å; D343-K353 PolarHBondContact OD1-NZ 3.19Å; D343-K353 IonicContact OD2-NZ 3.88Å; Y346-K353 HydrophobicContact CD2-CB 4.37Å; Y346-K353 HydrophobicContact CD2-CG 3.99Å; V351-K353 PolarHBondContact O-N 2.83Å |
| 354 | T | 69.8 | Low | 81.2 | Confident | 130 Ų | 130 | 81.1 Ų | 81.1 | 80% | 0.798 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15.3 | 178.4 | 40.2 | 0 | 0 | 0 | 0 | 113.7 | P352 K356 | P352-T354 PolarHBondContact O-N 3.09Å; T354-K356 PolarHBondContact O-N 3.41Å |
| 355 | D | 73.8 | Confident | 81.1 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | trans | -79.4 | 100.6 | 179.5 | -173.8 | 8 | 0 | 0 | 0 | 111.8 | V351 P352 N357 A358 | V351-D355 HydrophobicContact CG1-CB 4.33Å; P352-D355 HydrophobicContact CG-CB 4.44Å; P352-D355 PolarHBondContact O-N 2.95Å; D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 WeakPolarHBondContact OD1-CB 3.5Å; D355-N357 PolarHBondContact OD1-N 3.22Å; D355-A358 HydrophobicContact CB-CB 4.14Å; D355-A358 PolarHBondContact O-N 2.61Å | ||
| 356 | K | 70 | Confident | 81.2 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.6 | 175.9 | -67.7 | -177.3 | 177.6 | 179.6 | 0 | 112.8 | T354 R359 | T354-K356 PolarHBondContact O-N 3.41Å; K356-R359 PolarHBondContact O-N 3.43Å |
| 357 | N | 75.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -31.5 | -179.2 | -67.5 | -31.8 | 0 | 0 | 0 | 111.6 | D355 R359 R360 | D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 WeakPolarHBondContact OD1-CB 3.5Å; D355-N357 PolarHBondContact OD1-N 3.22Å; N357-R359 PolarHBondContact O-N 2.96Å; N357-R360 WeakPolarHBondContact O-CB 3.2Å; N357-R360 PolarHBondContact O-N 3.35Å |
| 358 | A | 75.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -59.6 | -33.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y346 V351 D355 R360 R361 I364 | Y346-A358 HydrophobicContact CE1-CB 4.26Å; V351-A358 HydrophobicContact CB-CB 4.46Å; V351-A358 HydrophobicContact CG1-CB 3.33Å; D355-A358 HydrophobicContact CB-CB 4.14Å; D355-A358 PolarHBondContact O-N 2.61Å; A358-R360 PolarHBondContact O-N 3.47Å; A358-R361 VanDerWaalsContact O-CB 3.3Å; A358-R361 WeakPolarHBondContact O-CB 3.33Å; A358-R361 WeakPolarHBondContact O-CG 3.34Å; A358-R361 PolarHBondContact O-N 3.5Å; A358-R361 VanDerWaalsContact O-N 3.15Å; A358-I364 HydrophobicContact CB-CD1 4.35Å; A358-I364 WeakPolarHBondContact O-CD1 3.19Å |
| 359 | R | 76.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -67.8 | -17.5 | 177.3 | -159.4 | 169.5 | 174.6 | -144.8 | -20.4 | 114.1 | N65 L342 Y346 K356 N357 | N65-R359 PolarHBondContact ND2-O 2.73Å; N65-R359 WeakPolarHBondContact OD1-CD 3.22Å; N65-R359 PolarHBondContact OD1-NE 2.87Å; N65-R359 PolarHBondContact OD1-NH1 2.86Å; L342-R359 HydrophobicContact CD2-CG 4.48Å; Y346-R359 WeakPolarHBondContact OH-CB 3.45Å; K356-R359 PolarHBondContact O-N 3.43Å; N357-R359 PolarHBondContact O-N 2.96Å |
| 360 | R | 79.8 | Confident | 82.1 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -91.1 | -9.7 | 176.7 | -61.6 | 179.1 | 177.7 | 171.5 | -2.2 | 112.7 | N65 Y267 R271 N357 A358 | N65-R360 HydrophobicContact CB-CG 4.18Å; N65-R360 PolarHBondContact O-NE 3.34Å; N65-R360 PolarHBondContact O-NH2 2.88Å; Y267-R360 HydrophobicContact CD2-CB 3.92Å; Y267-R360 HydrophobicContact CD2-CG 4.07Å; Y267-R360 HydrophobicContact CE1-CG 4.45Å; Y267-R360 HydrophobicContact CE2-CB 3.92Å; Y267-R360 HydrophobicContact CE2-CG 3.91Å; Y267-R360 HydrophobicContact CG-CG 4.44Å; R271-R360 PolarHBondContact NH2-O 3.28Å; N357-R360 WeakPolarHBondContact O-CB 3.2Å; N357-R360 PolarHBondContact O-N 3.35Å; A358-R360 PolarHBondContact O-N 3.47Å |
| 361 | R | 83.4 | Confident | 82.7 | Confident | 130 Ų | 130 | 56.5 Ų | 56.5 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -65.2 | 136.9 | 176.1 | -64.2 | -176.8 | -169.6 | -162 | 6.7 | 109.6 | A358 E363 I364 E365 | A358-R361 VanDerWaalsContact O-CB 3.3Å; A358-R361 WeakPolarHBondContact O-CB 3.33Å; A358-R361 WeakPolarHBondContact O-CG 3.34Å; A358-R361 PolarHBondContact O-N 3.5Å; A358-R361 VanDerWaalsContact O-N 3.15Å; R361-E363 WeakPolarHBondContact CB-OE2 3.33Å; R361-E363 PolarHBondContact O-N 3.37Å; R361-I364 PolarHBondContact O-N 2.99Å; R361-I364 VanDerWaalsContact O-N 3.1Å; R361-E365 WeakPolarHBondContact O-CB 3.47Å; R361-E365 PolarHBondContact O-N 3.21Å |
| 362 | K | 83.8 | Confident | 83.3 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -39 | -175.1 | -178.3 | 172.3 | 170.8 | 170.3 | 0 | 111.3 | Y259 E263 I364 V366 | Y259-K362 WeakPolarHBondContact O-CE 3.43Å; Y259-K362 PolarHBondContact O-NZ 3.48Å; E263-K362 WeakPolarHBondContact OE1-CD 3.27Å; E263-K362 WeakPolarHBondContact OE1-CE 3.5Å; E263-K362 IonicContact OE1-NZ 3.88Å; E263-K362 PolarHBondContact OE1-NZ 2.99Å; K362-I364 PolarHBondContact O-N 3.38Å; K362-V366 HydrophobicContact CG-CG2 4.05Å; K362-V366 WeakPolarHBondContact O-CB 3.46Å; K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 3.49Å; K362-V366 VanDerWaalsContact O-N 3.16Å |
| 363 | E | 85.1 | Confident | 84 | Confident | 94 Ų | 94 | 52 Ų | 52 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -17.5 | -178.7 | -54.3 | 77.6 | -168.8 | 0 | 0 | 113.3 | Y349 R361 P367 | Y349-E363 HydrophobicContact CE1-CB 4.48Å; Y349-E363 HydrophobicContact CE2-CB 4.4Å; R361-E363 WeakPolarHBondContact CB-OE2 3.33Å; R361-E363 PolarHBondContact O-N 3.37Å; E363-P367 WeakPolarHBondContact O-CD 3.31Å; E363-P367 WeakPolarHBondContact O-CG 3.23Å |
| 364 | I | 86.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -109.6 | -45.2 | 179 | -61.6 | 177 | 0 | 0 | 0 | 110.2 | L342 L345 Y346 Y349 A358 R361 K362 S368 | L342-I364 HydrophobicContact CD2-CG2 4.25Å; L345-I364 HydrophobicContact CB-CG2 4.34Å; L345-I364 HydrophobicContact CD1-CG2 4.41Å; Y346-I364 HydrophobicContact CD1-CD1 4.21Å; Y346-I364 HydrophobicContact CE1-CD1 4.16Å; Y346-I364 HydrophobicContact CE1-CG2 4.16Å; Y349-I364 HydrophobicContact CD2-CD1 4.4Å; Y349-I364 HydrophobicContact CD2-CG1 4.04Å; Y349-I364 HydrophobicContact CE2-CG1 4.37Å; A358-I364 HydrophobicContact CB-CD1 4.35Å; A358-I364 WeakPolarHBondContact O-CD1 3.19Å; R361-I364 PolarHBondContact O-N 2.99Å; R361-I364 VanDerWaalsContact O-N 3.1Å; K362-I364 PolarHBondContact O-N 3.38Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 2.88Å |
| 365 | E | 87.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | -176.1 | -173.2 | 173.3 | -157 | 0 | 0 | 112.3 | N65 Y267 R271 R361 K369 | N65-E365 PolarHBondContact ND2-OE1 2.89Å; Y267-E365 PolarHBondContact OH-OE1 3.31Å; R271-E365 IonicContact CZ-OE2 2.76Å; R271-E365 IonicContact NE-OE2 3.93Å; R271-E365 PolarHBondContact NE-OE2 2.99Å; R271-E365 IonicContact NH2-OE2 3.57Å; R271-E365 PolarHBondContact NH2-OE2 3.39Å; R361-E365 WeakPolarHBondContact O-CB 3.47Å; R361-E365 PolarHBondContact O-N 3.21Å; E365-K369 HydrophobicContact CG-CD 4.01Å; E365-K369 WeakPolarHBondContact O-CB 3.22Å; E365-K369 WeakPolarHBondContact O-CG 3.39Å; E365-K369 PolarHBondContact O-N 3.32Å; E365-K369 VanDerWaalsContact O-N 3.08Å; E365-K369 IonicContact OE1-NZ 3.67Å; E365-K369 PolarHBondContact OE1-NZ 3.13Å |
| 366 | V | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -57.6 | -175.6 | 176 | 0 | 0 | 0 | 0 | 111.3 | Y259 R271 T275 K362 S368 K369 F370 | Y259-V366 HydrophobicContact CD1-CG1 4.37Å; Y259-V366 HydrophobicContact CD2-CG1 4.23Å; Y259-V366 HydrophobicContact CE1-CB 4.4Å; Y259-V366 HydrophobicContact CE1-CG1 4.25Å; Y259-V366 HydrophobicContact CE2-CG1 4.12Å; Y259-V366 HydrophobicContact CG-CG1 4.36Å; R271-V366 HydrophobicContact CG-CG2 4.5Å; T275-V366 HydrophobicContact CG2-CG1 3.97Å; T275-V366 WeakPolarHBondContact CG2-O 3.37Å; K362-V366 HydrophobicContact CG-CG2 4.05Å; K362-V366 WeakPolarHBondContact O-CB 3.46Å; K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 3.49Å; K362-V366 VanDerWaalsContact O-N 3.16Å; V366-S368 PolarHBondContact O-N 2.86Å; V366-K369 PolarHBondContact O-N 2.96Å; V366-F370 VanDerWaalsContact O-CB 3.28Å; V366-F370 WeakPolarHBondContact O-CB 3.35Å; V366-F370 PolarHBondContact O-N 2.97Å |
| 367 | P | 92.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 32.6 Ų | 32.6 | 14% | 0.143 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | -177.8 | 22.8 | -31.2 | 0 | 0 | 0 | 112.9 | L345 E363 F370 V371 | L345-P367 HydrophobicContact CD1-CB 4.39Å; L345-P367 HydrophobicContact CD1-CG 4.05Å; L345-P367 HydrophobicContact CD2-CG 4.21Å; E363-P367 WeakPolarHBondContact O-CD 3.31Å; E363-P367 WeakPolarHBondContact O-CG 3.23Å; P367-F370 PolarHBondContact O-N 3.5Å; P367-V371 WeakPolarHBondContact O-CB 3.4Å; P367-V371 VanDerWaalsContact O-CG2 3.29Å; P367-V371 WeakPolarHBondContact O-CG2 3.3Å; P367-V371 PolarHBondContact O-N 3.11Å |
| 368 | S | 91.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | S341 L342 I364 V366 T372 | S341-S368 PolarHBondContact OG-OG 2.87Å; S341-S368 VanDerWaalsContact OG-OG 3.05Å; L342-S368 WeakPolarHBondContact CD2-OG 3.35Å; L342-S368 WeakPolarHBondContact CG-OG 3.49Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 2.88Å; V366-S368 PolarHBondContact O-N 2.86Å; S368-T372 WeakPolarHBondContact O-CB 3.16Å; S368-T372 PolarHBondContact O-N 2.91Å; S368-T372 VanDerWaalsContact O-N 3.15Å; S368-T372 PolarHBondContact O-OG1 3.01Å |
| 369 | K | 91.8 | Very high | 90 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -49 | 177.9 | -73.5 | -175.5 | 173.4 | 176.2 | 0 | 110.7 | G272 T275 E365 V366 V371 T372 Y373 | G272-K369 VanDerWaalsContact CA-NZ 3.31Å; G272-K369 WeakPolarHBondContact O-CD 3.41Å; T275-K369 HydrophobicContact CG2-CB 3.99Å; E365-K369 HydrophobicContact CG-CD 4.01Å; E365-K369 WeakPolarHBondContact O-CB 3.22Å; E365-K369 WeakPolarHBondContact O-CG 3.39Å; E365-K369 PolarHBondContact O-N 3.32Å; E365-K369 VanDerWaalsContact O-N 3.08Å; E365-K369 IonicContact OE1-NZ 3.67Å; E365-K369 PolarHBondContact OE1-NZ 3.13Å; V366-K369 PolarHBondContact O-N 2.96Å; K369-V371 PolarHBondContact O-N 3.37Å; K369-T372 PolarHBondContact O-N 3.48Å; K369-Y373 HydrophobicContact CB-CD2 4.39Å; K369-Y373 WeakPolarHBondContact O-CD2 3.39Å; K369-Y373 PolarHBondContact O-N 3.36Å |
| 370 | F | 94.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 5% | 0.053 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.6 | -52.7 | -177.7 | -169 | -92.3 | 0 | 0 | 0 | 111.6 | L251 L254 L255 T275 A282 V366 P367 T372 Y373 T374 | L251-F370 HydrophobicContact CD2-CE1 4.36Å; L254-F370 HydrophobicContact CB-CE2 4.15Å; L254-F370 HydrophobicContact CB-CZ 4.42Å; L255-F370 HydrophobicContact CB-CE1 4Å; L255-F370 HydrophobicContact CB-CE2 4.07Å; L255-F370 HydrophobicContact CB-CZ 3.72Å; L255-F370 HydrophobicContact CD1-CB 4.23Å; L255-F370 HydrophobicContact CD1-CD1 3.7Å; L255-F370 HydrophobicContact CD1-CD2 4.01Å; L255-F370 HydrophobicContact CD1-CE1 3.98Å; L255-F370 HydrophobicContact CD1-CE2 4.28Å; L255-F370 HydrophobicContact CD1-CG 3.7Å; L255-F370 HydrophobicContact CD1-CZ 4.27Å; L255-F370 HydrophobicContact CG-CE1 4.43Å; T275-F370 HydrophobicContact CG2-CB 3.81Å; T275-F370 HydrophobicContact CG2-CD2 4.33Å; A282-F370 HydrophobicContact CB-CE2 4.45Å; A282-F370 HydrophobicContact CB-CZ 3.94Å; V366-F370 VanDerWaalsContact O-CB 3.28Å; V366-F370 WeakPolarHBondContact O-CB 3.35Å; V366-F370 PolarHBondContact O-N 2.97Å; P367-F370 PolarHBondContact O-N 3.5Å; F370-T372 PolarHBondContact O-N 3.37Å; F370-Y373 PolarHBondContact O-N 3.44Å; F370-T374 WeakPolarHBondContact O-CB 3.48Å; F370-T374 PolarHBondContact O-N 3.23Å; F370-T374 PolarHBondContact O-OG1 2.89Å |
| 371 | V | 95.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 25.2 Ų | 25.2 | 47% | 0.467 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 179.3 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | V337 P367 K369 Y373 A375 | V337-V371 HydrophobicContact CG1-CG1 4.12Å; P367-V371 WeakPolarHBondContact O-CB 3.4Å; P367-V371 VanDerWaalsContact O-CG2 3.29Å; P367-V371 WeakPolarHBondContact O-CG2 3.3Å; P367-V371 PolarHBondContact O-N 3.11Å; K369-V371 PolarHBondContact O-N 3.37Å; V371-Y373 PolarHBondContact O-N 3.02Å; V371-A375 WeakPolarHBondContact O-CB 3.48Å; V371-A375 PolarHBondContact O-N 2.98Å |
| 372 | T | 94.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 178.8 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | R334 V337 R338 S341 S368 K369 F370 A375 V376 | R334-T372 HydrophobicContact CG-CG2 4.16Å; V337-T372 HydrophobicContact CB-CG2 4.48Å; R338-T372 WeakPolarHBondContact CA-OG1 3.47Å; R338-T372 HydrophobicContact CB-CG2 3.9Å; R338-T372 PolarHBondContact N-OG1 2.87Å; S341-T372 PolarHBondContact OG-OG1 3.15Å; S368-T372 WeakPolarHBondContact O-CB 3.16Å; S368-T372 PolarHBondContact O-N 2.91Å; S368-T372 VanDerWaalsContact O-N 3.15Å; S368-T372 PolarHBondContact O-OG1 3.01Å; K369-T372 PolarHBondContact O-N 3.48Å; F370-T372 PolarHBondContact O-N 3.37Å; T372-A375 WeakPolarHBondContact O-CB 3.36Å; T372-A375 PolarHBondContact O-N 3.41Å; T372-V376 WeakPolarHBondContact O-CG2 3.33Å; T372-V376 PolarHBondContact O-N 2.88Å; T372-V376 VanDerWaalsContact O-N 3.08Å |
| 373 | Y | 94.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -80.8 | -27.1 | -173.9 | -75.2 | -75.3 | 0 | 0 | 0 | 113.2 | N63 E96 T276 G279 V280 R334 K369 F370 V371 A375 V376 G377 | N63-Y373 PolarHBondContact ND2-OH 3.01Å; E96-Y373 WeakPolarHBondContact OE1-CE1 3.47Å; E96-Y373 VanDerWaalsContact OE1-CZ 3.3Å; E96-Y373 PolarHBondContact OE1-OH 2.99Å; T276-Y373 HydrophobicContact CG2-CD1 3.62Å; T276-Y373 HydrophobicContact CG2-CD2 3.57Å; T276-Y373 HydrophobicContact CG2-CE1 3.4Å; T276-Y373 VanDerWaalsContact CG2-CE1 3.4Å; T276-Y373 HydrophobicContact CG2-CE2 3.42Å; T276-Y373 VanDerWaalsContact CG2-CE2 3.42Å; T276-Y373 HydrophobicContact CG2-CG 3.69Å; T276-Y373 WeakPolarHBondContact O-CB 3.47Å; T276-Y373 VanDerWaalsContact OG1-CE2 3.28Å; T276-Y373 WeakPolarHBondContact OG1-CE2 3.33Å; G279-Y373 CarbonylContact O-C 3.33Å; V280-Y373 WeakPolarHBondContact CA-O 3.38Å; V280-Y373 HydrophobicContact CG2-CD1 3.66Å; V280-Y373 HydrophobicContact CG2-CG 4.09Å; R334-Y373 PolarHBondContact NE-OH 2.92Å; R334-Y373 PolarHBondContact NH2-OH 2.88Å; K369-Y373 HydrophobicContact CB-CD2 4.39Å; K369-Y373 WeakPolarHBondContact O-CD2 3.39Å; K369-Y373 PolarHBondContact O-N 3.36Å; F370-Y373 PolarHBondContact O-N 3.44Å; V371-Y373 PolarHBondContact O-N 3.02Å; Y373-A375 VanDerWaalsContact C-N 3.33Å; Y373-V376 PolarHBondContact O-N 3.25Å; Y373-G377 PolarHBondContact O-N 3.38Å |
| 374 | T | 95.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 18.8 Ų | 18.8 | 9% | 0.086 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 165.8 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L251 G279 G283 F370 G377 L378 | L251-T374 HydrophobicContact CD2-CG2 3.78Å; G279-T374 WeakPolarHBondContact O-CA 3.43Å; G279-T374 PolarHBondContact O-N 3.44Å; G279-T374 PolarHBondContact O-OG1 3.35Å; G279-T374 VanDerWaalsContact O-OG1 3.04Å; G283-T374 WeakPolarHBondContact CA-O 3.39Å; F370-T374 WeakPolarHBondContact O-CB 3.48Å; F370-T374 PolarHBondContact O-N 3.23Å; F370-T374 PolarHBondContact O-OG1 2.89Å; T374-G377 PolarHBondContact O-N 3.1Å; T374-L378 HydrophobicContact CG2-CD1 4.29Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.99Å |
| 375 | A | 95.1 | Very high | 90.8 | Very high | 24 Ų | 24 | 19 Ų | 19 | 20% | 0.198 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T333 V337 V371 T372 Y373 G377 L378 V379 | T333-A375 HydrophobicContact CG2-CB 4.18Å; V337-A375 HydrophobicContact CB-CB 4.38Å; V337-A375 HydrophobicContact CG1-CB 4.06Å; V337-A375 HydrophobicContact CG2-CB 3.9Å; V371-A375 WeakPolarHBondContact O-CB 3.48Å; V371-A375 PolarHBondContact O-N 2.98Å; T372-A375 WeakPolarHBondContact O-CB 3.36Å; T372-A375 PolarHBondContact O-N 3.41Å; Y373-A375 VanDerWaalsContact C-N 3.33Å; A375-G377 PolarHBondContact O-N 3.43Å; A375-L378 PolarHBondContact O-N 3.43Å; A375-V379 WeakPolarHBondContact O-CB 3.35Å; A375-V379 WeakPolarHBondContact O-CG2 3.48Å; A375-V379 PolarHBondContact O-N 3.21Å |
| 376 | V | 94.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I100 L330 T333 R334 T372 Y373 V379 N380 | I100-V376 HydrophobicContact CD1-CG1 4.3Å; I100-V376 HydrophobicContact CG1-CG1 4.47Å; L330-V376 HydrophobicContact CB-CG1 4.4Å; L330-V376 HydrophobicContact CD2-CG1 4.02Å; L330-V376 WeakPolarHBondContact CD2-O 3.4Å; T333-V376 HydrophobicContact CG2-CG2 4.4Å; R334-V376 HydrophobicContact CB-CG2 3.94Å; T372-V376 WeakPolarHBondContact O-CG2 3.33Å; T372-V376 PolarHBondContact O-N 2.88Å; T372-V376 VanDerWaalsContact O-N 3.08Å; Y373-V376 PolarHBondContact O-N 3.25Å; V376-V379 PolarHBondContact O-N 3.19Å; V376-N380 WeakPolarHBondContact O-CB 3.4Å; V376-N380 PolarHBondContact O-N 3.41Å |
| 377 | G | 93.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y373 T374 A375 N380 S381 | Y373-G377 PolarHBondContact O-N 3.38Å; T374-G377 PolarHBondContact O-N 3.1Å; A375-G377 PolarHBondContact O-N 3.43Å; G377-N380 WeakPolarHBondContact O-CB 3.42Å; G377-N380 PolarHBondContact O-N 3.14Å; G377-S381 PolarHBondContact O-N 2.86Å; G377-S381 VanDerWaalsContact O-N 3.07Å; G377-S381 PolarHBondContact O-OG 3.43Å |
| 378 | L | 93.1 | Very high | 89.4 | Confident | 55 Ų | 55 | 24.7 Ų | 24.7 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 175.6 | -76.2 | 170.2 | 0 | 0 | 0 | 112.3 | G283 V286 T374 A375 S381 I382 | G283-L378 WeakPolarHBondContact O-CD2 3.39Å; V286-L378 HydrophobicContact CB-CD2 3.89Å; V286-L378 HydrophobicContact CG1-CD2 3.73Å; T374-L378 HydrophobicContact CG2-CD1 4.29Å; T374-L378 WeakPolarHBondContact O-CG 3.46Å; T374-L378 PolarHBondContact O-N 2.99Å; A375-L378 PolarHBondContact O-N 3.43Å; L378-S381 PolarHBondContact O-N 3.08Å; L378-I382 HydrophobicContact CD2-CD1 4.23Å; L378-I382 WeakPolarHBondContact O-CB 3.49Å; L378-I382 PolarHBondContact O-N 3.48Å |
| 379 | V | 91.9 | Very high | 88.6 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -63.4 | -42.8 | 177.6 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | L330 T333 A375 V376 S381 L383 V384 | L330-V379 HydrophobicContact CD2-CB 4.34Å; L330-V379 HydrophobicContact CD2-CG1 3.94Å; T333-V379 HydrophobicContact CG2-CB 4.43Å; T333-V379 HydrophobicContact CG2-CG2 3.84Å; A375-V379 WeakPolarHBondContact O-CB 3.35Å; A375-V379 WeakPolarHBondContact O-CG2 3.48Å; A375-V379 PolarHBondContact O-N 3.21Å; V376-V379 PolarHBondContact O-N 3.19Å; V379-S381 PolarHBondContact O-N 3.38Å; V379-L383 HydrophobicContact CB-CB 4.41Å; V379-L383 HydrophobicContact CG1-CB 4.16Å; V379-L383 HydrophobicContact CG1-CD2 4.06Å; V379-L383 HydrophobicContact CG2-CB 4.41Å; V379-L383 HydrophobicContact CG2-CD2 4.08Å; V379-L383 PolarHBondContact O-N 3.43Å; V379-L383 VanDerWaalsContact O-N 3.12Å; V379-V384 HydrophobicContact CG1-CG2 3.98Å; V379-V384 WeakPolarHBondContact O-CG2 3.19Å; V379-V384 PolarHBondContact O-N 3.16Å |
| 380 | N | 90.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -56.2 | -49.2 | 175.3 | 173.5 | 67.4 | 0 | 0 | 0 | 112.1 | P104 H107 W108 L330 V376 G377 | P104-N380 VanDerWaalsContact CB-OD1 3.24Å; P104-N380 WeakPolarHBondContact CB-OD1 3.49Å; H107-N380 PolarHBondContact NE2-O 3.37Å; W108-N380 VanDerWaalsContact CZ2-OD1 3.31Å; W108-N380 WeakPolarHBondContact CZ2-OD1 3.15Å; W108-N380 PolarHBondContact NE1-O 2.93Å; L330-N380 HydrophobicContact CD1-CB 4.47Å; L330-N380 HydrophobicContact CD2-CB 3.75Å; V376-N380 WeakPolarHBondContact O-CB 3.4Å; V376-N380 PolarHBondContact O-N 3.41Å; G377-N380 WeakPolarHBondContact O-CB 3.42Å; G377-N380 PolarHBondContact O-N 3.14Å |
| 381 | S | 86.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -78.3 | -37.3 | -173.5 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | N291 G377 L378 V379 N385 | N291-S381 PolarHBondContact ND2-O 2.96Å; G377-S381 PolarHBondContact O-N 2.86Å; G377-S381 VanDerWaalsContact O-N 3.07Å; G377-S381 PolarHBondContact O-OG 3.43Å; L378-S381 PolarHBondContact O-N 3.08Å; V379-S381 PolarHBondContact O-N 3.38Å; S381-N385 PolarHBondContact O-ND2 3.29Å |
| 382 | I | 86.8 | Confident | 85.8 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -106.2 | -63.9 | -173.1 | -58.1 | 167.9 | 0 | 0 | 0 | 111.6 | A290 L378 V384 N385 R386 | A290-I382 HydrophobicContact CB-CD1 3.99Å; L378-I382 HydrophobicContact CD2-CD1 4.23Å; L378-I382 WeakPolarHBondContact O-CB 3.49Å; L378-I382 PolarHBondContact O-N 3.48Å; I382-V384 PolarHBondContact O-N 2.68Å; I382-N385 PolarHBondContact O-N 2.82Å; I382-R386 PolarHBondContact O-N 3.1Å |
| 383 | L | 83 | Confident | 84.6 | Confident | 87 Ų | 87 | 38.6 Ų | 38.6 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -66.2 | -45.4 | -164.4 | -178.9 | 64.4 | 0 | 0 | 0 | 111.8 | V379 N385 R386 V387 | V379-L383 HydrophobicContact CB-CB 4.41Å; V379-L383 HydrophobicContact CG1-CB 4.16Å; V379-L383 HydrophobicContact CG1-CD2 4.06Å; V379-L383 HydrophobicContact CG2-CB 4.41Å; V379-L383 HydrophobicContact CG2-CD2 4.08Å; V379-L383 PolarHBondContact O-N 3.43Å; V379-L383 VanDerWaalsContact O-N 3.12Å; L383-N385 VanDerWaalsContact C-N 3.33Å; L383-N385 PolarHBondContact O-N 3.42Å; L383-R386 PolarHBondContact O-N 2.99Å; L383-V387 HydrophobicContact CD1-CG2 4.47Å; L383-V387 HydrophobicContact CG-CG2 4.46Å; L383-V387 WeakPolarHBondContact O-CG2 3.32Å; L383-V387 PolarHBondContact O-N 3.18Å |
| 384 | V | 82.7 | Confident | 83 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | -176.8 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | W108 A329 V379 I382 R386 V387 F388 | W108-V384 HydrophobicContact CD2-CG1 4.1Å; W108-V384 VanDerWaalsContact CE2-CG1 3.4Å; W108-V384 HydrophobicContact CH2-CG1 4.35Å; W108-V384 HydrophobicContact CZ2-CB 3.95Å; W108-V384 HydrophobicContact CZ2-CG1 3.56Å; W108-V384 HydrophobicContact CZ2-CG2 3.93Å; A329-V384 HydrophobicContact CB-CG2 4.01Å; V379-V384 HydrophobicContact CG1-CG2 3.98Å; V379-V384 WeakPolarHBondContact O-CG2 3.19Å; V379-V384 PolarHBondContact O-N 3.16Å; I382-V384 PolarHBondContact O-N 2.68Å; V384-R386 VanDerWaalsContact C-N 3.32Å; V384-R386 PolarHBondContact O-N 2.94Å; V384-V387 WeakPolarHBondContact O-CB 3.32Å; V384-V387 PolarHBondContact O-N 3.1Å; V384-F388 HydrophobicContact CG1-CD1 4.45Å; V384-F388 HydrophobicContact CG1-CD2 4.22Å; V384-F388 HydrophobicContact CG1-CE1 3.74Å; V384-F388 HydrophobicContact CG1-CE2 3.48Å; V384-F388 VanDerWaalsContact CG1-CE2 3.48Å; V384-F388 HydrophobicContact CG1-CZ 3.2Å; V384-F388 WeakPolarHBondContact O-CG 3.45Å; V384-F388 PolarHBondContact O-N 3.39Å |
| 385 | N | 80.5 | Confident | 82.4 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.2 | -72.8 | -15.2 | 0 | 0 | 0 | 112.3 | H107 W108 F298 S381 I382 L383 F388 A389 | H107-N385 PolarHBondContact NE2-ND2 2.95Å; W108-N385 VanDerWaalsContact CD1-OD1 3.3Å; F298-N385 HydrophobicContact CD1-CB 4.15Å; F298-N385 HydrophobicContact CD2-CB 3.63Å; F298-N385 HydrophobicContact CE1-CB 3.9Å; F298-N385 HydrophobicContact CE2-CB 3.38Å; F298-N385 HydrophobicContact CG-CB 4.03Å; F298-N385 HydrophobicContact CZ-CB 3.53Å; S381-N385 PolarHBondContact O-ND2 3.29Å; I382-N385 PolarHBondContact O-N 2.82Å; L383-N385 VanDerWaalsContact C-N 3.33Å; L383-N385 PolarHBondContact O-N 3.42Å; N385-F388 PolarHBondContact O-N 3Å; N385-A389 PolarHBondContact O-N 3.32Å; N385-A389 VanDerWaalsContact O-N 3.11Å |
| 386 | R | 80.3 | Confident | 81.7 | Confident | 97 Ų | 97 | 47.4 Ų | 47.4 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174.1 | -70.3 | -179.9 | 170.4 | -159.7 | -11.5 | 112.4 | D296 I382 L383 V384 F388 A389 L390 | D296-R386 IonicContact OD2-CZ 3.71Å; D296-R386 IonicContact OD2-NE 3.67Å; D296-R386 IonicContact OD2-NH2 2.88Å; D296-R386 PolarHBondContact OD2-NH2 3.19Å; I382-R386 PolarHBondContact O-N 3.1Å; L383-R386 PolarHBondContact O-N 2.99Å; V384-R386 VanDerWaalsContact C-N 3.32Å; V384-R386 PolarHBondContact O-N 2.94Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 2.97Å; R386-A389 WeakPolarHBondContact O-CB 3.29Å; R386-A389 PolarHBondContact O-N 3.12Å; R386-L390 VanDerWaalsContact O-CG 3.31Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 2.94Å |
| 387 | V | 80 | Confident | 81 | Confident | 46 Ų | 46 | 49.8 Ų | 49.8 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | V325 L383 V384 L390 I391 | V325-V387 HydrophobicContact CG1-CG1 4.15Å; L383-V387 HydrophobicContact CD1-CG2 4.47Å; L383-V387 HydrophobicContact CG-CG2 4.46Å; L383-V387 WeakPolarHBondContact O-CG2 3.32Å; L383-V387 PolarHBondContact O-N 3.18Å; V384-V387 WeakPolarHBondContact O-CB 3.32Å; V384-V387 PolarHBondContact O-N 3.1Å; V387-L390 PolarHBondContact O-N 3.31Å; V387-I391 HydrophobicContact CG1-CD1 3.5Å; V387-I391 HydrophobicContact CG1-CG1 4.34Å; V387-I391 WeakPolarHBondContact O-CB 3.49Å; V387-I391 VanDerWaalsContact O-CG1 3.28Å; V387-I391 WeakPolarHBondContact O-CG1 3.35Å; V387-I391 PolarHBondContact O-N 3.46Å |
| 388 | F | 81.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 174.4 | -61.3 | -25.5 | 0 | 0 | 0 | 113 | W108 R322 V325 V384 N385 R386 I391 G392 L393 L394 | W108-F388 HydrophobicContact CB-CE2 3.75Å; W108-F388 HydrophobicContact CB-CZ 4.43Å; W108-F388 AromaticContact CD1-CE2 3.63Å; W108-F388 AromaticContact CD2-CE2 3.94Å; W108-F388 HydrophobicContact CD2-CE2 3.94Å; W108-F388 HydrophobicContact CD2-CZ 4.02Å; W108-F388 HydrophobicContact CE3-CZ 4.33Å; W108-F388 AromaticContact CG-CE2 3.5Å; W108-F388 HydrophobicContact CG-CE2 3.5Å; W108-F388 VanDerWaalsContact CG-CE2 3.5Å; W108-F388 HydrophobicContact CG-CZ 4.06Å; R322-F388 HydrophobicContact CB-CE1 3.97Å; R322-F388 HydrophobicContact CB-CE2 4Å; R322-F388 HydrophobicContact CB-CZ 3.64Å; R322-F388 HydrophobicContact CG-CD1 4.33Å; R322-F388 HydrophobicContact CG-CD2 4.37Å; R322-F388 HydrophobicContact CG-CE1 4.21Å; R322-F388 HydrophobicContact CG-CE2 4.23Å; R322-F388 HydrophobicContact CG-CG 4.42Å; R322-F388 HydrophobicContact CG-CZ 4.16Å; R322-F388 WeakPolarHBondContact O-CE1 3.15Å; R322-F388 WeakPolarHBondContact O-CZ 3Å; V325-F388 HydrophobicContact CB-CE1 4.21Å; V325-F388 HydrophobicContact CG1-CE1 4.17Å; V384-F388 HydrophobicContact CG1-CD1 4.45Å; V384-F388 HydrophobicContact CG1-CD2 4.22Å; V384-F388 HydrophobicContact CG1-CE1 3.74Å; V384-F388 HydrophobicContact CG1-CE2 3.48Å; V384-F388 VanDerWaalsContact CG1-CE2 3.48Å; V384-F388 HydrophobicContact CG1-CZ 3.2Å; V384-F388 WeakPolarHBondContact O-CG 3.45Å; V384-F388 PolarHBondContact O-N 3.39Å; N385-F388 PolarHBondContact O-N 3Å; R386-F388 VanDerWaalsContact C-N 3.3Å; R386-F388 PolarHBondContact O-N 2.97Å; F388-I391 PolarHBondContact O-N 3.46Å; F388-G392 PolarHBondContact O-N 2.92Å; F388-G392 VanDerWaalsContact O-N 3.17Å; F388-L393 HydrophobicContact CB-CB 4.27Å; F388-L393 HydrophobicContact CD1-CB 4.48Å; F388-L393 PolarHBondContact O-N 3.23Å; F388-L394 HydrophobicContact CB-CG 4.44Å |
| 389 | A | 74.2 | Confident | 79.5 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N385 R386 I391 G392 L394 | N385-A389 PolarHBondContact O-N 3.32Å; N385-A389 VanDerWaalsContact O-N 3.11Å; R386-A389 WeakPolarHBondContact O-CB 3.29Å; R386-A389 PolarHBondContact O-N 3.12Å; A389-I391 PolarHBondContact O-N 3.4Å; A389-G392 PolarHBondContact O-N 3.17Å; A389-L394 HydrophobicContact CB-CD1 3.67Å |
| 390 | L | 74.9 | Confident | 78.7 | Confident | 150 Ų | 150 | 54.7 Ų | 54.7 | 79% | 0.785 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.3 | -36 | -179.7 | -70.3 | 171 | 0 | 0 | 0 | 113.2 | R386 V387 G392 | R386-L390 VanDerWaalsContact O-CG 3.31Å; R386-L390 WeakPolarHBondContact O-CG 3.46Å; R386-L390 PolarHBondContact O-N 2.94Å; V387-L390 PolarHBondContact O-N 3.31Å; L390-G392 VanDerWaalsContact C-N 3.28Å |
| 391 | I | 77.3 | Confident | 77.8 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -85.2 | -3.6 | -179 | -59.5 | 171.2 | 0 | 0 | 0 | 111.5 | V387 F388 A389 L393 | V387-I391 HydrophobicContact CG1-CD1 3.5Å; V387-I391 HydrophobicContact CG1-CG1 4.34Å; V387-I391 WeakPolarHBondContact O-CB 3.49Å; V387-I391 VanDerWaalsContact O-CG1 3.28Å; V387-I391 WeakPolarHBondContact O-CG1 3.35Å; V387-I391 PolarHBondContact O-N 3.46Å; F388-I391 PolarHBondContact O-N 3.46Å; A389-I391 PolarHBondContact O-N 3.4Å; I391-L393 VanDerWaalsContact C-N 3.27Å; I391-L393 HydrophobicContact CB-CD1 4.17Å; I391-L393 HydrophobicContact CG2-CD1 3.63Å; I391-L393 HydrophobicContact CG2-CG 4.19Å; I391-L393 PolarHBondContact O-N 2.92Å |
| 392 | G | 71.6 | Confident | 77.1 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 28.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F388 A389 L390 | F388-G392 PolarHBondContact O-N 2.92Å; F388-G392 VanDerWaalsContact O-N 3.17Å; A389-G392 PolarHBondContact O-N 3.17Å; L390-G392 VanDerWaalsContact C-N 3.28Å |
| 393 | L | 67.8 | Low | 76.3 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.183 | 37% | 0.371 | C | S | . | . | trans | -93.3 | 2.3 | -176.8 | -100.6 | 160.6 | 0 | 0 | 0 | 112.7 | R322 F388 I391 | R322-L393 HydrophobicContact CG-CD2 4.2Å; R322-L393 PolarHBondContact NE-O 3.34Å; R322-L393 PolarHBondContact NH2-O 3.38Å; F388-L393 HydrophobicContact CB-CB 4.27Å; F388-L393 HydrophobicContact CD1-CB 4.48Å; F388-L393 PolarHBondContact O-N 3.23Å; I391-L393 VanDerWaalsContact C-N 3.27Å; I391-L393 HydrophobicContact CB-CD1 4.17Å; I391-L393 HydrophobicContact CG2-CD1 3.63Å; I391-L393 HydrophobicContact CG2-CG 4.19Å; I391-L393 PolarHBondContact O-N 2.92Å | ||
| 394 | L | 62.4 | Low | 75.7 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | trans | -68.8 | 0 | -178.8 | -81.6 | 165.4 | 0 | 0 | 0 | 114.7 | F298 R322 F388 A389 | F298-L394 HydrophobicContact CD1-CD2 3.75Å; F298-L394 HydrophobicContact CE1-CD1 4.12Å; F298-L394 HydrophobicContact CE1-CD2 4Å; R322-L394 PolarHBondContact NH2-O 3.17Å; R322-L394 PolarHBondContact NH2-OXT 3.27Å; F388-L394 HydrophobicContact CB-CG 4.44Å; A389-L394 HydrophobicContact CB-CD1 3.67Å |
Retrieved 394 of 394 residues in 637.1 ms
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