| 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 | 51.4 | Low | 69.1 | Low | 172 Ų | 172 | 99.5 Ų | 99.5 | 85% | 0.847 | 51% | 0.51 | S | S | * | . | 0 | 128.5 | 0 | -102.7 | 175.1 | -176.3 | 0 | 0 | 107.9 | C3 R40 | M1-C3 PolarHBondContact O-N 3.4Å; M1-C3 VanDerWaalsContact O-N 3.08Å; M1-R40 HydrophobicContact CG-CG 4.47Å | |||
| 2 | K | 55.4 | Low | 70.9 | Confident | 47 Ų | 47 | 93 Ų | 93 | 20% | 0.204 | 48% | 0.477 | C | S | . | . | trans | -64.7 | 105.5 | 172.4 | -176.3 | 174.4 | 177.1 | 173.1 | 0 | 108.7 | K4 E69 D109 I113 | K2-K4 HydrophobicContact CG-CG 4.36Å; K2-E69 IonicContact NZ-OE1 3.87Å; K2-E69 PolarHBondContact NZ-OE1 2.88Å; K2-D109 WeakPolarHBondContact CE-OD1 3.36Å; K2-D109 IonicContact NZ-OD1 3.79Å; K2-D109 PolarHBondContact NZ-OD1 3.44Å; K2-D109 IonicContact NZ-OD2 3.75Å; K2-D109 PolarHBondContact NZ-OD2 3.23Å; K2-I113 HydrophobicContact CB-CD1 4.3Å; K2-I113 HydrophobicContact CD-CD1 4.22Å | ||
| 3 | C | 51.4 | Low | 72.6 | Confident | 112 Ų | 112 | 96.7 Ų | 96.7 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | trans | -106.6 | 106.4 | 167.5 | -83 | 0 | 0 | 0 | 0 | 106.9 | M1 P5 | M1-C3 PolarHBondContact O-N 3.4Å; M1-C3 VanDerWaalsContact O-N 3.08Å; C3-P5 VanDerWaalsContact O-CD 3.24Å; C3-P5 WeakPolarHBondContact O-CD 3.46Å | ||
| 4 | K | 61.3 | Low | 73.9 | Confident | 45 Ų | 45 | 98.7 Ų | 98.7 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | trans | -87.7 | 103.2 | 169.3 | -78.1 | -179.1 | 159.6 | 172.9 | 0 | 107.6 | K2 N6 Q7 E68 E108 | K2-K4 HydrophobicContact CG-CG 4.36Å; K4-N6 PolarHBondContact O-N 3.43Å; K4-N6 VanDerWaalsContact O-N 3.16Å; K4-Q7 HydrophobicContact CB-CB 3.83Å; K4-Q7 HydrophobicContact CD-CB 4.37Å; K4-Q7 PolarHBondContact O-N 2.99Å; K4-E68 IonicContact NZ-OE2 2.68Å; K4-E68 PolarHBondContact NZ-OE2 3.03Å; K4-E108 WeakPolarHBondContact CE-OE1 3.26Å; K4-E108 IonicContact NZ-OE1 2.74Å | ||
| 5 | P | 52.3 | Low | 75.1 | Confident | 126 Ų | 126 | 95 Ų | 95 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.4 | -170.4 | 24.1 | -33.1 | 0 | 0 | 0 | 113.8 | C3 | C3-P5 VanDerWaalsContact O-CD 3.24Å; C3-P5 WeakPolarHBondContact O-CD 3.46Å |
| 6 | N | 59.3 | Low | 76.3 | Confident | 148 Ų | 148 | 89.8 Ų | 89.8 | 79% | 0.791 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 1.1 | -175.7 | -65.1 | -7.8 | 0 | 0 | 0 | 114.3 | K4 T8 | K4-N6 PolarHBondContact O-N 3.43Å; K4-N6 VanDerWaalsContact O-N 3.16Å; N6-T8 PolarHBondContact O-N 3.03Å |
| 7 | Q | 69.4 | Low | 77.4 | Confident | 44 Ų | 44 | 87.1 Ų | 87.1 | 21% | 0.206 | 47% | 0.465 | C | S | . | . | trans | -85.2 | 100.9 | -176.6 | -164.5 | 173.7 | 45.7 | 0 | 0 | 110.8 | K4 R9 G51 E53 R64 E65 | K4-Q7 HydrophobicContact CB-CB 3.83Å; K4-Q7 HydrophobicContact CD-CB 4.37Å; K4-Q7 PolarHBondContact O-N 2.99Å; Q7-R9 PolarHBondContact O-N 2.85Å; Q7-G51 PolarHBondContact NE2-O 3.12Å; Q7-E53 HydrophobicContact CG-CG 4.04Å; Q7-E53 PolarHBondContact NE2-OE1 2.89Å; Q7-R64 VanDerWaalsContact NE2-NH1 3.15Å; Q7-E65 PolarHBondContact NE2-OE1 2.96Å | ||
| 8 | T | 84.4 | Confident | 78.5 | Confident | 86 Ų | 86 | 85.6 Ų | 85.6 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 121 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | N6 P54 | N6-T8 PolarHBondContact O-N 3.03Å; T8-P54 HydrophobicContact CG2-CG 3.71Å |
| 9 | R | 88 | Confident | 79.5 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -77 | 130.5 | 178.9 | -62.4 | 179.6 | -176.5 | 173.2 | 5.3 | 110 | Q7 Y11 | Q7-R9 PolarHBondContact O-N 2.85Å; R9-Y11 HydrophobicContact CB-CE2 3.84Å |
| 10 | T | 93 | Very high | 80.4 | Confident | 24 Ų | 24 | 79.6 Ų | 79.6 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 150.2 | 172.2 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | K17 K18 M52 E53 P54 | T10-K17 WeakPolarHBondContact O-CA 3.4Å; T10-K18 PolarHBondContact O-N 3.14Å; T10-M52 WeakPolarHBondContact CG2-O 3.27Å; T10-M52 PolarHBondContact OG1-O 2.92Å; T10-E53 VanDerWaalsContact CG2-C 3.5Å; T10-P54 HydrophobicContact CG2-CB 4.43Å; T10-P54 HydrophobicContact CG2-CG 4.04Å |
| 11 | Y | 93.8 | Very high | 81.3 | Confident | 131 Ų | 131 | 76 Ų | 76 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -132.4 | 151.2 | 179.8 | -57.6 | -94.2 | 0 | 0 | 0 | 109.4 | R9 F16 K17 | R9-Y11 HydrophobicContact CB-CE2 3.84Å; Y11-F16 CarbonylContact C-O 3.53Å; Y11-F16 WeakPolarHBondContact CA-O 3.38Å; Y11-K17 HydrophobicContact CD1-CB 4.01Å; Y11-K17 HydrophobicContact CE1-CB 3.87Å; Y11-K17 HydrophobicContact CE1-CG 4.31Å |
| 12 | D | 91.4 | Very high | 83.5 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | trans | -85.8 | 171.6 | 170.7 | 72.3 | 16.5 | 0 | 0 | 0 | 111.7 | E14 G15 F16 K18 R92 | D12-E14 PolarHBondContact O-N 3.1Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-E14 WeakPolarHBondContact OD1-CA 3.07Å; D12-E14 WeakPolarHBondContact OD1-CB 3.3Å; D12-E14 PolarHBondContact OD1-N 3.34Å; D12-G15 PolarHBondContact O-N 3.21Å; D12-G15 PolarHBondContact OD1-N 3.44Å; D12-F16 PolarHBondContact N-O 2.87Å; D12-F16 PolarHBondContact OD1-N 2.87Å; D12-F16 WeakPolarHBondContact OD2-CB 3.37Å; D12-K18 HydrophobicContact CB-CG 4.31Å; D12-R92 IonicContact OD2-CZ 3.25Å; D12-R92 IonicContact OD2-NE 3.5Å; D12-R92 IonicContact OD2-NH1 3.7Å; D12-R92 PolarHBondContact OD2-NH1 2.81Å | ||
| 13 | P | 92.1 | Very high | 85.5 | Confident | 141 Ų | 141 | 65.5 Ų | 65.5 | 92% | 0.916 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.2 | -179.6 | -25.7 | 36.3 | 0 | 0 | 0 | 114.6 | G15 | P13-G15 VanDerWaalsContact C-N 3.31Š|
| 14 | E | 91.5 | Very high | 87.8 | Confident | 125 Ų | 125 | 60.2 Ų | 60.2 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.1 | 178.4 | -60.7 | 176.3 | -95.4 | 0 | 0 | 112 | D12 F16 R92 | D12-E14 PolarHBondContact O-N 3.1Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-E14 WeakPolarHBondContact OD1-CA 3.07Å; D12-E14 WeakPolarHBondContact OD1-CB 3.3Å; D12-E14 PolarHBondContact OD1-N 3.34Å; E14-F16 HydrophobicContact CB-CD2 3.78Å; E14-F16 HydrophobicContact CB-CE2 3.97Å; E14-R92 IonicContact OE1-CZ 3.62Å; E14-R92 IonicContact OE1-NH1 3.58Å; E14-R92 PolarHBondContact OE1-NH1 3.17Å; E14-R92 IonicContact OE1-NH2 3.47Å; E14-R92 PolarHBondContact OE1-NH2 3.48Å; E14-R92 IonicContact OE2-NH2 2.81Å |
| 15 | G | 92.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 58 Ų | 58 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 86 | 9.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D12 P13 | D12-G15 PolarHBondContact O-N 3.21Å; D12-G15 PolarHBondContact OD1-N 3.44Å; P13-G15 VanDerWaalsContact C-N 3.31Å |
| 16 | F | 93.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 133.6 | 174.8 | -68.4 | -105.9 | 0 | 0 | 0 | 110.1 | Y11 D12 E14 K18 N86 K90 R92 | Y11-F16 CarbonylContact C-O 3.53Å; Y11-F16 WeakPolarHBondContact CA-O 3.38Å; D12-F16 PolarHBondContact N-O 2.87Å; D12-F16 PolarHBondContact OD1-N 2.87Å; D12-F16 WeakPolarHBondContact OD2-CB 3.37Å; E14-F16 HydrophobicContact CB-CD2 3.78Å; E14-F16 HydrophobicContact CB-CE2 3.97Å; F16-K18 PolarHBondContact O-N 2.58Å; F16-N86 WeakPolarHBondContact CE1-OD1 3.44Å; F16-N86 WeakPolarHBondContact CZ-OD1 3.44Å; F16-K90 HydrophobicContact CD1-CB 3.75Å; F16-K90 HydrophobicContact CE1-CB 4.02Å; F16-K90 HydrophobicContact CE1-CD 4.32Å; F16-K90 HydrophobicContact CE1-CG 4.38Å; F16-K90 HydrophobicContact CG-CB 4.23Å; F16-K90 HydrophobicContact CZ-CD 4.26Å; F16-R92 HydrophobicContact CB-CB 4.02Å; F16-R92 HydrophobicContact CD1-CB 4.46Å; F16-R92 HydrophobicContact CG-CB 4.47Å |
| 17 | K | 94.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 19% | 0.191 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 126.1 | 169.1 | -176.4 | -176.6 | 175.9 | -174.5 | 0 | 109.3 | T10 Y11 R19 K90 H91 R92 | T10-K17 WeakPolarHBondContact O-CA 3.4Å; Y11-K17 HydrophobicContact CD1-CB 4.01Å; Y11-K17 HydrophobicContact CE1-CB 3.87Å; Y11-K17 HydrophobicContact CE1-CG 4.31Å; K17-R19 HydrophobicContact CD-CG 4.47Å; K17-R19 HydrophobicContact CG-CG 4.4Å; K17-K90 PolarHBondContact N-O 3.11Å; K17-H91 HydrophobicContact CB-CB 4.13Å; K17-H91 VanDerWaalsContact O-CA 3.27Å; K17-H91 WeakPolarHBondContact O-CA 3.39Å; K17-H91 WeakPolarHBondContact O-CB 3.27Å; K17-R92 PolarHBondContact O-N 2.86Å |
| 18 | K | 96.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.3 | 176 | -59.3 | 178.6 | 69.3 | -174.5 | 0 | 110.2 | T10 D12 F16 M52 | T10-K18 PolarHBondContact O-N 3.14Å; D12-K18 HydrophobicContact CB-CG 4.31Å; F16-K18 PolarHBondContact O-N 2.58Å; K18-M52 HydrophobicContact CB-CB 4.15Å; K18-M52 HydrophobicContact CB-CG 4.27Å; K18-M52 HydrophobicContact CB-SD 3.81Å; K18-M52 PolarHBondContact O-N 3Å |
| 19 | R | 97.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 62.1 Ų | 62.1 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.6 | -178.5 | -67.4 | -169.6 | 71.1 | -178.2 | -2.4 | 111.2 | K17 G49 G50 H91 R92 T93 Y94 | K17-R19 HydrophobicContact CD-CG 4.47Å; K17-R19 HydrophobicContact CG-CG 4.4Å; R19-G49 PolarHBondContact NH2-O 3.4Å; R19-G50 WeakPolarHBondContact CA-O 3.33Å; R19-G50 WeakPolarHBondContact CB-O 3.45Å; R19-G50 WeakPolarHBondContact CG-O 3.45Å; R19-G50 PolarHBondContact NE-O 3.4Å; R19-H91 HydrophobicContact CG-CB 4.23Å; R19-R92 PolarHBondContact N-O 3.47Å; R19-T93 HydrophobicContact CB-CG2 4Å; R19-T93 CarbonylContact O-C 3.46Å; R19-T93 WeakPolarHBondContact O-CA 3.32Å; R19-Y94 WeakPolarHBondContact O-CD2 3.31Å; R19-Y94 PolarHBondContact O-N 2.94Å |
| 20 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G49 G50 M52 P58 A61 A62 Y94 | A20-G49 CarbonylContact O-C 3.57Å; A20-G49 WeakPolarHBondContact O-CA 3.37Å; A20-G50 PolarHBondContact N-O 3.25Å; A20-G50 VanDerWaalsContact N-O 3.1Å; A20-G50 PolarHBondContact O-N 2.92Å; A20-M52 HydrophobicContact CB-CG 4.17Å; A20-P58 WeakPolarHBondContact CB-O 3.27Å; A20-A61 HydrophobicContact CB-CB 3.57Å; A20-A62 HydrophobicContact CB-CB 3.95Å; A20-Y94 CarbonylContact C-O 3.15Å; A20-Y94 VanDerWaalsContact CA-O 3.31Å; A20-Y94 WeakPolarHBondContact CA-O 3.33Å |
| 21 | A | 98.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 158.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V47 P48 T93 Y94 V95 Y96 | A21-V47 HydrophobicContact CB-CG1 4.28Å; A21-P48 WeakPolarHBondContact CA-O 3.3Å; A21-P48 WeakPolarHBondContact CB-O 3.41Å; A21-T93 HydrophobicContact CB-CG2 3.83Å; A21-Y94 PolarHBondContact N-O 3.48Å; A21-V95 HydrophobicContact CB-CG2 4.45Å; A21-V95 WeakPolarHBondContact O-CA 3.11Å; A21-Y96 PolarHBondContact O-N 2.99Å |
| 22 | C | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.2 | 169 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | C24 V47 P48 A62 V66 Y96 L98 | C22-C24 PolarHBondContact O-N 3.08Å; C22-V47 VanDerWaalsContact O-CG1 3.31Å; C22-V47 WeakPolarHBondContact O-CG1 3.38Å; C22-P48 PolarHBondContact N-O 3.33Å; C22-A62 WeakPolarHBondContact SG-CB 3.35Å; C22-V66 HydrophobicContact CB-CG1 3.61Å; C22-Y96 CarbonylContact C-O 3.49Å; C22-Y96 VanDerWaalsContact CA-O 3.26Å; C22-Y96 WeakPolarHBondContact CA-O 3.33Å; C22-L98 HydrophobicContact CB-CB 3.96Å |
| 23 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 100.9 | 155.4 | -58.8 | -177.6 | 0 | 0 | 0 | 107.5 | F25 V33 V47 L80 V95 Y96 L98 Y139 L140 L143 | L23-F25 HydrophobicContact CB-CD2 4.35Å; L23-F25 HydrophobicContact CB-CE2 3.52Å; L23-F25 HydrophobicContact CB-CZ 3.74Å; L23-F25 HydrophobicContact CD1-CE2 4.39Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; L23-F25 WeakPolarHBondContact O-CD2 3.42Å; L23-F25 PolarHBondContact O-N 3.3Å; L23-V33 HydrophobicContact CB-CG2 4.35Å; L23-V33 HydrophobicContact CD2-CG2 4.49Å; L23-V47 HydrophobicContact CD2-CG1 3.92Å; L23-V47 HydrophobicContact CD2-CG2 3.9Å; L23-L80 HydrophobicContact CD1-CD2 3.6Å; L23-V95 HydrophobicContact CG-CG1 4.03Å; L23-Y96 PolarHBondContact N-O 2.67Å; L23-L98 PolarHBondContact O-N 3.42Å; L23-Y139 HydrophobicContact CD2-CD2 4.4Å; L23-L140 HydrophobicContact CD1-CD2 3.96Å; L23-L140 HydrophobicContact CD2-CD2 3.98Å; L23-L140 HydrophobicContact CD2-CG 4.26Å; L23-L143 HydrophobicContact CD1-CD1 4.3Å |
| 24 | C | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 107 | -178.6 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | C22 V33 L34 L98 V100 W119 | C22-C24 PolarHBondContact O-N 3.08Å; C24-V33 CarbonylContact O-C 3.5Å; C24-V33 WeakPolarHBondContact O-CA 3.27Å; C24-L34 HydrophobicContact CB-CB 4Å; C24-L34 PolarHBondContact O-N 3.43Å; C24-L98 CarbonylContact C-O 3.31Å; C24-L98 WeakPolarHBondContact CA-O 3.18Å; C24-L98 HydrophobicContact CB-CD2 4.45Å; C24-V100 HydrophobicContact CB-CG2 3.76Å; C24-W119 WeakPolarHBondContact O-CZ3 3.33Å |
| 25 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 148.1 | 179.6 | -64.7 | -76.7 | 0 | 0 | 0 | 112.3 | L23 S27 E30 E32 V33 V97 L98 V100 V122 L143 | L23-F25 HydrophobicContact CB-CD2 4.35Å; L23-F25 HydrophobicContact CB-CE2 3.52Å; L23-F25 HydrophobicContact CB-CZ 3.74Å; L23-F25 HydrophobicContact CD1-CE2 4.39Å; L23-F25 HydrophobicContact CD1-CZ 4.12Å; L23-F25 WeakPolarHBondContact O-CD2 3.42Å; L23-F25 PolarHBondContact O-N 3.3Å; F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 WeakPolarHBondContact CB-O 3.17Å; F25-S27 PolarHBondContact O-N 2.91Å; F25-E30 VanDerWaalsContact CD1-CA 3.44Å; F25-E30 HydrophobicContact CD1-CB 3.91Å; F25-E30 HydrophobicContact CD1-CG 4.44Å; F25-E30 HydrophobicContact CD2-CB 4.2Å; F25-E30 HydrophobicContact CD2-CG 3.89Å; F25-E30 HydrophobicContact CE1-CB 3.95Å; F25-E30 HydrophobicContact CE2-CB 4.24Å; F25-E30 HydrophobicContact CE2-CG 4.12Å; F25-E30 HydrophobicContact CG-CB 4.04Å; F25-E30 HydrophobicContact CG-CG 4.06Å; F25-E30 HydrophobicContact CZ-CB 4.13Å; F25-E32 VanDerWaalsContact CA-O 3.3Å; F25-E32 WeakPolarHBondContact CA-O 3.39Å; F25-E32 WeakPolarHBondContact CD1-O 3.34Å; F25-V33 HydrophobicContact CD1-CB 4.08Å; F25-V33 HydrophobicContact CE1-CB 3.87Å; F25-V33 HydrophobicContact CE1-CG2 4.25Å; F25-V97 HydrophobicContact CD2-CG1 3.74Å; F25-V97 HydrophobicContact CE2-CG1 3.87Å; F25-V97 HydrophobicContact CE2-CG2 4.3Å; F25-L98 PolarHBondContact N-O 3.4Å; F25-V100 PolarHBondContact O-N 3.21Å; F25-V122 HydrophobicContact CE1-CG2 3.89Å; F25-L143 HydrophobicContact CE1-CD2 3.89Å; F25-L143 HydrophobicContact CE2-CD1 4.21Å; F25-L143 HydrophobicContact CE2-CD2 4.28Å; F25-L143 HydrophobicContact CZ-CD1 4.06Å; F25-L143 HydrophobicContact CZ-CD2 3.37Å; F25-L143 HydrophobicContact CZ-CG 4.34Å |
| 26 | R | 97.8 | Very high | 97.2 | Very high | 114 Ų | 114 | 39 Ų | 39 | 43% | 0.43 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -68.4 | -30.1 | 176.3 | -173.5 | 178.7 | -74.6 | -178.5 | -8.3 | 111.9 | E32 W119 | R26-E32 HydrophobicContact CB-CB 4.18Å; R26-E32 VanDerWaalsContact CD-OE2 3.25Å; R26-E32 WeakPolarHBondContact CD-OE2 3.43Å; R26-E32 IonicContact CZ-OE1 2.78Å; R26-E32 IonicContact CZ-OE2 2.83Å; R26-E32 VanDerWaalsContact CZ-OE2 3.22Å; R26-E32 PolarHBondContact N-O 3.13Å; R26-E32 IonicContact NE-OE2 3.12Å; R26-E32 PolarHBondContact NE-OE2 3.31Å; R26-E32 VanDerWaalsContact NH1-CD 3.34Å; R26-E32 IonicContact NH1-OE1 2.81Å; R26-E32 PolarHBondContact NH1-OE1 3.29Å; R26-E32 IonicContact NH1-OE2 3.92Å; R26-E32 PolarHBondContact NH1-OE2 2.91Å; R26-W119 VanDerWaalsContact CA-CH2 3.49Å; R26-W119 HydrophobicContact CB-CD2 4.44Å; R26-W119 HydrophobicContact CB-CE3 3.98Å; R26-W119 HydrophobicContact CB-CH2 3.79Å; R26-W119 HydrophobicContact CB-CZ2 4.26Å; R26-W119 HydrophobicContact CB-CZ3 3.65Å; R26-W119 HydrophobicContact CG-CH2 4.45Å; R26-W119 HydrophobicContact CG-CZ2 4.46Å |
| 27 | S | 96.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 38.7 Ų | 38.7 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -150.3 | 169.2 | -179 | 78.3 | 0 | 0 | 0 | 0 | 111.4 | F25 R29 E30 | F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 WeakPolarHBondContact CB-O 3.17Å; F25-S27 PolarHBondContact O-N 2.91Å; S27-R29 PolarHBondContact O-N 3.45Å; S27-R29 WeakPolarHBondContact OG-CB 3.26Å; S27-R29 PolarHBondContact OG-N 2.89Å; S27-E30 PolarHBondContact O-N 2.97Å; S27-E30 VanDerWaalsContact O-N 3.12Å |
| 28 | E | 93.8 | Very high | 97.3 | Very high | 126 Ų | 126 | 37 Ų | 37 | 59% | 0.589 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -7.3 | 173 | -58.8 | -71.5 | 147.4 | 0 | 0 | 113.4 | E30 T99 | E28-E30 VanDerWaalsContact C-N 3.27Å; E28-T99 HydrophobicContact CG-CG2 4.31Å; E28-T99 VanDerWaalsContact OE1-CB 3.32Å; E28-T99 WeakPolarHBondContact OE1-CB 3.32Å; E28-T99 WeakPolarHBondContact OE1-CG2 3.47Å; E28-T99 PolarHBondContact OE1-OG1 3Å |
| 29 | R | 94.8 | Very high | 97.1 | Very high | 212 Ų | 212 | 36.2 Ų | 36.2 | 80% | 0.8 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.5 | 173.7 | -61.9 | -177.3 | 176.5 | -178.7 | -0.7 | 113.3 | S27 D31 | S27-R29 PolarHBondContact O-N 3.45Å; S27-R29 WeakPolarHBondContact OG-CB 3.26Å; S27-R29 PolarHBondContact OG-N 2.89Å; R29-D31 PolarHBondContact O-N 3.44Å |
| 30 | E | 96 | Very high | 96.8 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | trans | 55.5 | 34.7 | 177.8 | -55.8 | -178 | 177.4 | 0 | 0 | 113.9 | F25 S27 E28 R78 V97 V122 L143 | F25-E30 VanDerWaalsContact CD1-CA 3.44Å; F25-E30 HydrophobicContact CD1-CB 3.91Å; F25-E30 HydrophobicContact CD1-CG 4.44Å; F25-E30 HydrophobicContact CD2-CB 4.2Å; F25-E30 HydrophobicContact CD2-CG 3.89Å; F25-E30 HydrophobicContact CE1-CB 3.95Å; F25-E30 HydrophobicContact CE2-CB 4.24Å; F25-E30 HydrophobicContact CE2-CG 4.12Å; F25-E30 HydrophobicContact CG-CB 4.04Å; F25-E30 HydrophobicContact CG-CG 4.06Å; F25-E30 HydrophobicContact CZ-CB 4.13Å; S27-E30 PolarHBondContact O-N 2.97Å; S27-E30 VanDerWaalsContact O-N 3.12Å; E28-E30 VanDerWaalsContact C-N 3.27Å; E30-R78 IonicContact OE1-CZ 3.63Å; E30-R78 IonicContact OE1-NH1 2.71Å; E30-R78 PolarHBondContact OE1-NH1 2.93Å; E30-R78 IonicContact OE1-NH2 3.22Å; E30-R78 PolarHBondContact OE1-NH2 2.76Å; E30-R78 IonicContact OE2-CZ 2.83Å; E30-R78 IonicContact OE2-NH1 2.82Å; E30-R78 IonicContact OE2-NH2 3.66Å; E30-R78 PolarHBondContact OE2-NH2 2.98Å; E30-V97 WeakPolarHBondContact OE1-CG1 3.44Å; E30-V122 WeakPolarHBondContact O-CG2 3.15Å; E30-L143 HydrophobicContact CB-CD2 4.38Å; E30-L143 WeakPolarHBondContact OE2-CD1 3.26Å | ||
| 31 | D | 95.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | trans | -95.3 | -35.1 | -176.2 | 56.9 | -12.5 | 0 | 0 | 0 | 113.9 | R29 K121 V122 | R29-D31 PolarHBondContact O-N 3.44Å; D31-K121 WeakPolarHBondContact O-CA 3.49Å; D31-V122 PolarHBondContact O-N 2.77Å | ||
| 32 | E | 98.1 | Very high | 96.2 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.1 | 176.9 | -65.1 | -176.5 | 108.3 | 0 | 0 | 111.1 | F25 R26 W119 F120 | F25-E32 VanDerWaalsContact CA-O 3.3Å; F25-E32 WeakPolarHBondContact CA-O 3.39Å; F25-E32 WeakPolarHBondContact CD1-O 3.34Å; R26-E32 HydrophobicContact CB-CB 4.18Å; R26-E32 VanDerWaalsContact CD-OE2 3.25Å; R26-E32 WeakPolarHBondContact CD-OE2 3.43Å; R26-E32 IonicContact CZ-OE1 2.78Å; R26-E32 IonicContact CZ-OE2 2.83Å; R26-E32 VanDerWaalsContact CZ-OE2 3.22Å; R26-E32 PolarHBondContact N-O 3.13Å; R26-E32 IonicContact NE-OE2 3.12Å; R26-E32 PolarHBondContact NE-OE2 3.31Å; R26-E32 VanDerWaalsContact NH1-CD 3.34Å; R26-E32 IonicContact NH1-OE1 2.81Å; R26-E32 PolarHBondContact NH1-OE1 3.29Å; R26-E32 IonicContact NH1-OE2 3.92Å; R26-E32 PolarHBondContact NH1-OE2 2.91Å; E32-W119 HydrophobicContact CB-CE3 4.33Å; E32-F120 CarbonylContact C-O 3.48Å; E32-F120 VanDerWaalsContact CA-O 3.26Å; E32-F120 WeakPolarHBondContact CA-O 3.25Å |
| 33 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.8 | 178.7 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | L23 C24 F25 F120 A125 L140 | L23-V33 HydrophobicContact CB-CG2 4.35Å; L23-V33 HydrophobicContact CD2-CG2 4.49Å; C24-V33 CarbonylContact O-C 3.5Å; C24-V33 WeakPolarHBondContact O-CA 3.27Å; F25-V33 HydrophobicContact CD1-CB 4.08Å; F25-V33 HydrophobicContact CE1-CB 3.87Å; F25-V33 HydrophobicContact CE1-CG2 4.25Å; V33-F120 PolarHBondContact N-O 2.81Å; V33-F120 PolarHBondContact O-N 3.47Å; V33-A125 HydrophobicContact CG1-CB 3.6Å; V33-L140 HydrophobicContact CB-CD2 4.34Å; V33-L140 HydrophobicContact CG1-CD1 4.33Å; V33-L140 HydrophobicContact CG1-CD2 4.06Å; V33-L140 HydrophobicContact CG2-CD2 4.31Å |
| 34 | L | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.4 | 175.2 | -167.7 | 73.8 | 0 | 0 | 0 | 110.2 | C24 A70 V72 L103 R117 W119 | C24-L34 HydrophobicContact CB-CB 4Å; C24-L34 PolarHBondContact O-N 3.43Å; L34-A70 HydrophobicContact CD2-CB 4Å; L34-V72 HydrophobicContact CD2-CG1 3.42Å; L34-V72 VanDerWaalsContact CD2-CG1 3.42Å; L34-L103 HydrophobicContact CD2-CD2 4.47Å; L34-R117 HydrophobicContact CD1-CB 4.16Å; L34-R117 HydrophobicContact CD1-CG 4.27Å; L34-R117 HydrophobicContact CD2-CB 4.46Å; L34-R117 HydrophobicContact CG-CB 4.35Å; L34-W119 HydrophobicContact CB-CD2 4.26Å; L34-W119 HydrophobicContact CB-CE3 3.82Å; L34-W119 HydrophobicContact CB-CH2 3.95Å; L34-W119 HydrophobicContact CB-CZ2 4.39Å; L34-W119 HydrophobicContact CB-CZ3 3.64Å; L34-W119 HydrophobicContact CD1-CD2 3.72Å; L34-W119 HydrophobicContact CD1-CE3 4.16Å; L34-W119 HydrophobicContact CD1-CG 4Å; L34-W119 HydrophobicContact CD1-CZ2 4.13Å |
| 35 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 159.3 | 169.6 | -58.3 | -176.6 | 0 | 0 | 0 | 110.2 | W45 V47 R117 E118 F120 A125 L129 | L35-W45 HydrophobicContact CB-CB 4.17Å; L35-W45 HydrophobicContact CB-CE3 4.08Å; L35-W45 HydrophobicContact CD1-CB 3.92Å; L35-V47 HydrophobicContact CD2-CG2 3.88Å; L35-R117 CarbonylContact O-C 3.55Å; L35-R117 VanDerWaalsContact O-CA 3.24Å; L35-R117 WeakPolarHBondContact O-CA 3.25Å; L35-E118 PolarHBondContact N-O 2.97Å; L35-E118 PolarHBondContact O-N 2.78Å; L35-F120 HydrophobicContact CB-CD2 3.83Å; L35-F120 HydrophobicContact CB-CE2 3.88Å; L35-F120 HydrophobicContact CD1-CD2 3.75Å; L35-F120 HydrophobicContact CD1-CE2 4.13Å; L35-F120 HydrophobicContact CD1-CG 4.21Å; L35-F120 HydrophobicContact CG-CD2 3.76Å; L35-F120 HydrophobicContact CG-CE2 4.26Å; L35-A125 HydrophobicContact CD1-CB 3.97Å; L35-L129 HydrophobicContact CD1-CD1 4.19Å; L35-L129 HydrophobicContact CD1-CD2 4.37Å; L35-L129 HydrophobicContact CD1-CG 4.2Å; L35-L129 HydrophobicContact CD2-CD1 4.16Å |
| 36 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153.1 | 175.6 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | W45 I46 P48 A70 R115 K116 R117 | V36-W45 VanDerWaalsContact C-CE3 3.41Å; V36-W45 CarbonylContact O-C 3.48Å; V36-W45 WeakPolarHBondContact O-CA 3.33Å; V36-I46 HydrophobicContact CG2-CD1 4.43Å; V36-I46 HydrophobicContact CG2-CG1 3.75Å; V36-I46 PolarHBondContact N-O 3.2Å; V36-I46 WeakPolarHBondContact O-CG1 3.49Å; V36-I46 PolarHBondContact O-N 2.83Å; V36-P48 HydrophobicContact CG1-CB 4.23Å; V36-P48 HydrophobicContact CG2-CB 3.96Å; V36-A70 HydrophobicContact CG1-CB 3.6Å; V36-R115 HydrophobicContact CB-CG 4.11Å; V36-R115 VanDerWaalsContact CG2-NH1 3.31Å; V36-K116 CarbonylContact C-O 3.48Å; V36-K116 WeakPolarHBondContact CA-O 3.37Å; V36-K116 WeakPolarHBondContact CB-O 3.35Å; V36-R117 HydrophobicContact CG1-CB 4.03Å |
| 37 | S | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 148.5 | 176.2 | 64.7 | 0 | 0 | 0 | 0 | 111 | R44 R115 K116 | S37-R44 CarbonylContact C-O 3.07Å; S37-R44 WeakPolarHBondContact CA-O 3.38Å; S37-R115 PolarHBondContact O-NH1 3.46Å; S37-K116 PolarHBondContact N-O 3.19Å; S37-K116 PolarHBondContact OG-N 3.27Å |
| 38 | S | 95.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | trans | -73 | 131.9 | 177.9 | -175 | 0 | 0 | 0 | 0 | 110.6 | R40 Y41 R44 | S38-R40 PolarHBondContact O-N 3.4Å; S38-R40 VanDerWaalsContact O-N 3.1Å; S38-R40 PolarHBondContact OG-N 3.42Å; S38-Y41 WeakPolarHBondContact CB-O 3.01Å; S38-Y41 CarbonylContact O-C 3.57Å; S38-Y41 VanDerWaalsContact O-C 3.31Å; S38-Y41 PolarHBondContact O-N 3.12Å; S38-R44 PolarHBondContact N-O 3.01Å | ||
| 39 | S | 91.5 | Very high | 95.9 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -63.4 | -14.4 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 40 | R | 90.8 | Very high | 95.9 | Very high | 165 Ų | 165 | 40.4 Ų | 40.4 | 62% | 0.623 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -100.5 | -31.2 | 175.7 | -66 | -173.5 | -175 | -172.6 | 0.6 | 113.1 | M1 S38 | M1-R40 HydrophobicContact CG-CG 4.47Å; S38-R40 PolarHBondContact O-N 3.4Å; S38-R40 VanDerWaalsContact O-N 3.1Å; S38-R40 PolarHBondContact OG-N 3.42Å |
| 41 | Y | 93.2 | Very high | 95.9 | Very high | 109 Ų | 109 | 38.6 Ų | 38.6 | 43% | 0.427 | 19% | 0.19 | S | C | . | . | trans | -137.7 | 86.1 | -174.6 | -57.3 | -73.5 | 0 | 0 | 0 | 108 | S38 D43 R44 | S38-Y41 WeakPolarHBondContact CB-O 3.01Å; S38-Y41 CarbonylContact O-C 3.57Å; S38-Y41 VanDerWaalsContact O-C 3.31Å; S38-Y41 PolarHBondContact O-N 3.12Å; Y41-D43 VanDerWaalsContact C-OD1 3.23Å; Y41-D43 WeakPolarHBondContact CB-OD1 2.99Å; Y41-D43 PolarHBondContact O-N 3.45Å; Y41-R44 PolarHBondContact O-N 2.92Å | ||
| 42 | P | 91.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 35.3 Ų | 35.3 | 60% | 0.604 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.8 | -171.3 | -26.5 | 36 | 0 | 0 | 0 | 115.2 | R44 | P42-R44 VanDerWaalsContact C-N 3.32Š|
| 43 | D | 92.3 | Very high | 95.7 | Very high | 121 Ų | 121 | 36.2 Ų | 36.2 | 65% | 0.647 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.3 | 173.1 | 60.5 | -51.8 | 0 | 0 | 0 | 113.8 | Y41 | Y41-D43 VanDerWaalsContact C-OD1 3.23Å; Y41-D43 WeakPolarHBondContact CB-OD1 2.99Å; Y41-D43 PolarHBondContact O-N 3.45Å |
| 44 | R | 95.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 26% | 0.26 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -111.2 | 144.5 | -176.6 | -57.1 | -177.3 | -174.9 | -179.7 | -2.4 | 111.5 | S37 S38 Y41 P42 | S37-R44 CarbonylContact C-O 3.07Å; S37-R44 WeakPolarHBondContact CA-O 3.38Å; S38-R44 PolarHBondContact N-O 3.01Å; Y41-R44 PolarHBondContact O-N 2.92Å; P42-R44 VanDerWaalsContact C-N 3.32Å |
| 45 | W | 97.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 17% | 0.167 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.8 | 178.4 | -62.6 | 100.8 | 0 | 0 | 0 | 112.1 | L35 V36 K116 E118 F120 I128 L129 | L35-W45 HydrophobicContact CB-CB 4.17Å; L35-W45 HydrophobicContact CB-CE3 4.08Å; L35-W45 HydrophobicContact CD1-CB 3.92Å; V36-W45 VanDerWaalsContact C-CE3 3.41Å; V36-W45 CarbonylContact O-C 3.48Å; V36-W45 WeakPolarHBondContact O-CA 3.33Å; W45-K116 HydrophobicContact CH2-CB 4.16Å; W45-K116 HydrophobicContact CZ3-CB 4.42Å; W45-E118 HydrophobicContact CH2-CB 3.5Å; W45-E118 HydrophobicContact CZ2-CB 4.04Å; W45-E118 WeakPolarHBondContact CZ2-OE2 3.37Å; W45-E118 HydrophobicContact CZ3-CB 3.9Å; W45-F120 AromaticContact CD1-CZ 3.99Å; W45-F120 AromaticContact CD2-CE2 3.89Å; W45-F120 HydrophobicContact CD2-CE2 3.89Å; W45-F120 AromaticContact CD2-CZ 3.81Å; W45-F120 HydrophobicContact CD2-CZ 3.81Å; W45-F120 AromaticContact CE2-CZ 3.64Å; W45-F120 HydrophobicContact CE3-CE2 4.04Å; W45-F120 HydrophobicContact CE3-CZ 4.39Å; W45-F120 HydrophobicContact CG-CE2 4.24Å; W45-F120 HydrophobicContact CG-CZ 4.03Å; W45-F120 HydrophobicContact CZ2-CE2 4.48Å; W45-F120 HydrophobicContact CZ2-CZ 4.07Å; W45-F120 HydrophobicContact CZ3-CE2 4.42Å; W45-F120 AromaticContact NE1-CZ 3.73Å; W45-I128 HydrophobicContact CB-CG2 4.08Å; W45-I128 HydrophobicContact CG-CG2 4.35Å; W45-L129 VanDerWaalsContact O-CD2 3.28Å; W45-L129 WeakPolarHBondContact O-CD2 3.22Å |
| 46 | I | 97.6 | Very high | 94.9 | Very high | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.2 | 178.2 | 70.1 | 173.2 | 0 | 0 | 0 | 110.6 | V36 K133 | V36-I46 HydrophobicContact CG2-CD1 4.43Å; V36-I46 HydrophobicContact CG2-CG1 3.75Å; V36-I46 PolarHBondContact N-O 3.2Å; V36-I46 WeakPolarHBondContact O-CG1 3.49Å; V36-I46 PolarHBondContact O-N 2.83Å; I46-K133 HydrophobicContact CG2-CD 4.38Å; I46-K133 HydrophobicContact CG2-CG 3.86Å |
| 47 | V | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | trans | -66.6 | 130.8 | 163.8 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | A21 C22 L23 L35 L129 H136 Y139 | A21-V47 HydrophobicContact CB-CG1 4.28Å; C22-V47 VanDerWaalsContact O-CG1 3.31Å; C22-V47 WeakPolarHBondContact O-CG1 3.38Å; L23-V47 HydrophobicContact CD2-CG1 3.92Å; L23-V47 HydrophobicContact CD2-CG2 3.9Å; L35-V47 HydrophobicContact CD2-CG2 3.88Å; V47-L129 HydrophobicContact CG2-CD1 4.14Å; V47-H136 HydrophobicContact CG2-CB 3.99Å; V47-H136 PolarHBondContact N-ND1 3.12Å; V47-Y139 HydrophobicContact CB-CD2 4.39Å; V47-Y139 HydrophobicContact CB-CE2 4.5Å; V47-Y139 HydrophobicContact CG1-CD2 4.27Å; V47-Y139 HydrophobicContact CG1-CE2 4.47Å; V47-Y139 HydrophobicContact CG2-CD2 4.18Å | ||
| 48 | P | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -65.8 | 135.5 | 178.1 | 28.2 | -35 | 0 | 0 | 0 | 110.9 | A21 C22 V36 V66 E69 A70 | A21-P48 WeakPolarHBondContact CA-O 3.3Å; A21-P48 WeakPolarHBondContact CB-O 3.41Å; C22-P48 PolarHBondContact N-O 3.33Å; V36-P48 HydrophobicContact CG1-CB 4.23Å; V36-P48 HydrophobicContact CG2-CB 3.96Å; P48-V66 HydrophobicContact CB-CG1 4Å; P48-V66 HydrophobicContact CG-CG1 3.8Å; P48-E69 HydrophobicContact CB-CB 4.14Å; P48-A70 HydrophobicContact CB-CB 4.11Å; P48-A70 HydrophobicContact CG-CB 4.22Å | ||
| 49 | G | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | 151.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R19 A20 | R19-G49 PolarHBondContact NH2-O 3.4Å; A20-G49 CarbonylContact O-C 3.57Å; A20-G49 WeakPolarHBondContact O-CA 3.37Å |
| 50 | G | 95.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | -155.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R19 A20 E65 | R19-G50 WeakPolarHBondContact CA-O 3.33Å; R19-G50 WeakPolarHBondContact CB-O 3.45Å; R19-G50 WeakPolarHBondContact CG-O 3.45Å; R19-G50 PolarHBondContact NE-O 3.4Å; A20-G50 PolarHBondContact N-O 3.25Å; A20-G50 VanDerWaalsContact N-O 3.1Å; A20-G50 PolarHBondContact O-N 2.92Å; G50-E65 WeakPolarHBondContact CA-OE1 3.5Å; G50-E65 WeakPolarHBondContact CA-OE2 3.35Å |
| 51 | G | 95.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 142.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q7 R64 E65 | Q7-G51 PolarHBondContact NE2-O 3.12Å; G51-R64 PolarHBondContact O-NH2 3.19Å; G51-E65 PolarHBondContact N-OE1 3.22Å |
| 52 | M | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 139.2 | 167.2 | -64.6 | 176.1 | 60.6 | 0 | 0 | 109.7 | T10 K18 A20 E56 P58 A61 Y94 | T10-M52 WeakPolarHBondContact CG2-O 3.27Å; T10-M52 PolarHBondContact OG1-O 2.92Å; K18-M52 HydrophobicContact CB-CB 4.15Å; K18-M52 HydrophobicContact CB-CG 4.27Å; K18-M52 HydrophobicContact CB-SD 3.81Å; K18-M52 PolarHBondContact O-N 3Å; A20-M52 HydrophobicContact CB-CG 4.17Å; M52-E56 WeakPolarHBondContact CE-O 3.46Å; M52-P58 HydrophobicContact CE-CB 4.09Å; M52-P58 HydrophobicContact CE-CG 3.7Å; M52-P58 HydrophobicContact SD-CB 4.29Å; M52-P58 HydrophobicContact SD-CG 4.29Å; M52-A61 HydrophobicContact CB-CB 4.34Å; M52-A61 HydrophobicContact CG-CB 3.76Å; M52-Y94 HydrophobicContact SD-CD2 3.86Å; M52-Y94 HydrophobicContact SD-CE2 3.99Å |
| 53 | E | 94 | Very high | 96.1 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 162.4 | 174.1 | -67.4 | -177.9 | -169.8 | 0 | 0 | 111.2 | Q7 T10 E55 E56 R64 | Q7-E53 HydrophobicContact CG-CG 4.04Å; Q7-E53 PolarHBondContact NE2-OE1 2.89Å; T10-E53 VanDerWaalsContact CG2-C 3.5Å; E53-E55 PolarHBondContact O-N 2.75Å; E53-E56 HydrophobicContact CB-CB 4.19Å; E53-E56 PolarHBondContact N-OE2 3.04Å; E53-E56 VanDerWaalsContact O-CB 3.26Å; E53-E56 WeakPolarHBondContact O-CB 3.3Å; E53-E56 PolarHBondContact O-N 3.45Å; E53-R64 IonicContact OE1-CZ 3.88Å; E53-R64 IonicContact OE1-NE 2.85Å; E53-R64 IonicContact OE1-NH1 3.77Å; E53-R64 IonicContact OE1-NH2 2.88Å |
| 54 | P | 92.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 47% | 0.468 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137.1 | 175.4 | -25.5 | 35.5 | 0 | 0 | 0 | 111.3 | T8 T10 E56 | T8-P54 HydrophobicContact CG2-CG 3.71Å; T10-P54 HydrophobicContact CG2-CB 4.43Å; T10-P54 HydrophobicContact CG2-CG 4.04Å; P54-E56 PolarHBondContact O-N 3.13Å |
| 55 | E | 91.1 | Very high | 96.4 | Very high | 203 Ų | 203 | 36.6 Ų | 36.6 | 95% | 0.949 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 7.9 | 179.5 | -50.8 | -177.1 | 158.3 | 0 | 0 | 114.9 | E53 | E53-E55 PolarHBondContact O-N 2.75Š|
| 56 | E | 93.7 | Very high | 96.5 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | trans | -84 | 128.3 | 178.7 | -165 | 177.9 | -149 | 0 | 0 | 111.5 | M52 E53 P54 A61 R64 | M52-E56 WeakPolarHBondContact CE-O 3.46Å; E53-E56 HydrophobicContact CB-CB 4.19Å; E53-E56 PolarHBondContact N-OE2 3.04Å; E53-E56 VanDerWaalsContact O-CB 3.26Å; E53-E56 WeakPolarHBondContact O-CB 3.3Å; E53-E56 PolarHBondContact O-N 3.45Å; P54-E56 PolarHBondContact O-N 3.13Å; E56-A61 VanDerWaalsContact CD-CB 3.41Å; E56-A61 HydrophobicContact CG-CB 3.92Å; E56-A61 VanDerWaalsContact OE1-CA 3.25Å; E56-A61 WeakPolarHBondContact OE1-CA 3.37Å; E56-A61 PolarHBondContact OE1-N 3.38Å; E56-A61 WeakPolarHBondContact OE2-CB 3.38Å; E56-R64 IonicContact OE1-CZ 2.79Å; E56-R64 IonicContact OE1-NE 3.23Å; E56-R64 PolarHBondContact OE1-NE 2.9Å; E56-R64 IonicContact OE1-NH2 2.87Å; E56-R64 PolarHBondContact OE1-NH2 3.23Å; E56-R64 IonicContact OE2-CZ 3.15Å; E56-R64 IonicContact OE2-NE 3.3Å; E56-R64 IonicContact OE2-NH2 3.36Å; E56-R64 PolarHBondContact OE2-NH2 3.45Å | ||
| 57 | E | 96.2 | Very high | 96.5 | Very high | 146 Ų | 146 | 38.9 Ų | 38.9 | 68% | 0.682 | 21% | 0.205 | S | C | * | . | trans | -69.1 | 141.5 | 171.8 | -72 | -60 | 147.8 | 0 | 0 | 110.9 | G59 G60 A61 | E57-G59 VanDerWaalsContact C-N 3.25Å; E57-G59 PolarHBondContact O-N 2.85Å; E57-G59 VanDerWaalsContact O-N 3.12Å; E57-G60 WeakPolarHBondContact O-CA 3.4Å; E57-G60 PolarHBondContact O-N 3.09Å; E57-A61 PolarHBondContact O-N 2.96Å | ||
| 58 | P | 97.5 | Very high | 96.4 | Very high | 17 Ų | 17 | 40 Ų | 40 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.4 | -37.9 | -176.3 | -24 | 29.7 | 0 | 0 | 0 | 114.5 | A20 M52 A62 Y94 Y96 | A20-P58 WeakPolarHBondContact CB-O 3.27Å; M52-P58 HydrophobicContact CE-CB 4.09Å; M52-P58 HydrophobicContact CE-CG 3.7Å; M52-P58 HydrophobicContact SD-CB 4.29Å; M52-P58 HydrophobicContact SD-CG 4.29Å; P58-A62 WeakPolarHBondContact O-CB 3.32Å; P58-A62 PolarHBondContact O-N 2.79Å; P58-Y94 HydrophobicContact CB-CD1 3.81Å; P58-Y94 HydrophobicContact CB-CD2 4.02Å; P58-Y94 HydrophobicContact CB-CE1 4.39Å; P58-Y94 HydrophobicContact CB-CG 3.61Å; P58-Y94 HydrophobicContact CG-CD1 3.94Å; P58-Y94 HydrophobicContact CG-CD2 4.24Å; P58-Y94 HydrophobicContact CG-CE1 4.01Å; P58-Y94 HydrophobicContact CG-CE2 4.32Å; P58-Y94 HydrophobicContact CG-CG 4.07Å; P58-Y96 HydrophobicContact CB-CE2 4.05Å |
| 59 | G | 97.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E57 A62 V63 | E57-G59 VanDerWaalsContact C-N 3.25Å; E57-G59 PolarHBondContact O-N 2.85Å; E57-G59 VanDerWaalsContact O-N 3.12Å; G59-A62 PolarHBondContact O-N 3.03Å; G59-V63 WeakPolarHBondContact O-CG2 3.28Å; G59-V63 PolarHBondContact O-N 2.71Å; G59-V63 VanDerWaalsContact O-N 3.08Å |
| 60 | G | 97.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 39% | 0.392 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E57 A62 V63 R64 | E57-G60 WeakPolarHBondContact O-CA 3.4Å; E57-G60 PolarHBondContact O-N 3.09Å; G60-A62 VanDerWaalsContact C-N 3.3Å; G60-A62 PolarHBondContact O-N 3.46Å; G60-V63 PolarHBondContact O-N 3.16Å; G60-R64 WeakPolarHBondContact O-CB 3.16Å; G60-R64 PolarHBondContact O-N 3.39Å |
| 61 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A20 M52 E56 E57 R64 E65 | A20-A61 HydrophobicContact CB-CB 3.57Å; M52-A61 HydrophobicContact CB-CB 4.34Å; M52-A61 HydrophobicContact CG-CB 3.76Å; E56-A61 VanDerWaalsContact CD-CB 3.41Å; E56-A61 HydrophobicContact CG-CB 3.92Å; E56-A61 VanDerWaalsContact OE1-CA 3.25Å; E56-A61 WeakPolarHBondContact OE1-CA 3.37Å; E56-A61 PolarHBondContact OE1-N 3.38Å; E56-A61 WeakPolarHBondContact OE2-CB 3.38Å; E57-A61 PolarHBondContact O-N 2.96Å; A61-R64 PolarHBondContact O-N 3.25Å; A61-E65 WeakPolarHBondContact O-CB 3.46Å; A61-E65 VanDerWaalsContact O-CG 3.22Å; A61-E65 WeakPolarHBondContact O-CG 3.28Å; A61-E65 PolarHBondContact O-N 2.97Å |
| 62 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A20 C22 P58 G59 G60 V66 Y96 | A20-A62 HydrophobicContact CB-CB 3.95Å; C22-A62 WeakPolarHBondContact SG-CB 3.35Å; P58-A62 WeakPolarHBondContact O-CB 3.32Å; P58-A62 PolarHBondContact O-N 2.79Å; G59-A62 PolarHBondContact O-N 3.03Å; G60-A62 VanDerWaalsContact C-N 3.3Å; G60-A62 PolarHBondContact O-N 3.46Å; A62-V66 WeakPolarHBondContact O-CG1 3.24Å; A62-V66 WeakPolarHBondContact O-CG2 3.5Å; A62-V66 PolarHBondContact O-N 3.38Å; A62-V66 VanDerWaalsContact O-N 3.17Å; A62-Y96 HydrophobicContact CB-CD2 3.88Å |
| 63 | V | 98.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | G59 G60 V66 Y67 L76 L98 | G59-V63 WeakPolarHBondContact O-CG2 3.28Å; G59-V63 PolarHBondContact O-N 2.71Å; G59-V63 VanDerWaalsContact O-N 3.08Å; G60-V63 PolarHBondContact O-N 3.16Å; V63-V66 WeakPolarHBondContact O-CG2 3.34Å; V63-V66 PolarHBondContact O-N 2.74Å; V63-Y67 WeakPolarHBondContact O-CB 3.26Å; V63-Y67 PolarHBondContact O-N 2.87Å; V63-Y67 VanDerWaalsContact O-N 3.07Å; V63-L76 HydrophobicContact CG2-CB 4.16Å; V63-L76 HydrophobicContact CG2-CD1 4Å; V63-L76 HydrophobicContact CG2-CD2 4Å; V63-L76 HydrophobicContact CG2-CG 4.28Å; V63-L98 HydrophobicContact CG2-CD1 4.42Å |
| 64 | R | 97.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.8 | 177.9 | -178 | 53.3 | 68 | 0.5 | 111.3 | Q7 G51 E53 E56 G60 A61 V66 Y67 E68 | Q7-R64 VanDerWaalsContact NE2-NH1 3.15Å; G51-R64 PolarHBondContact O-NH2 3.19Å; E53-R64 IonicContact OE1-CZ 3.88Å; E53-R64 IonicContact OE1-NE 2.85Å; E53-R64 IonicContact OE1-NH1 3.77Å; E53-R64 IonicContact OE1-NH2 2.88Å; E56-R64 IonicContact OE1-CZ 2.79Å; E56-R64 IonicContact OE1-NE 3.23Å; E56-R64 PolarHBondContact OE1-NE 2.9Å; E56-R64 IonicContact OE1-NH2 2.87Å; E56-R64 PolarHBondContact OE1-NH2 3.23Å; E56-R64 IonicContact OE2-CZ 3.15Å; E56-R64 IonicContact OE2-NE 3.3Å; E56-R64 IonicContact OE2-NH2 3.36Å; E56-R64 PolarHBondContact OE2-NH2 3.45Å; G60-R64 WeakPolarHBondContact O-CB 3.16Å; G60-R64 PolarHBondContact O-N 3.39Å; A61-R64 PolarHBondContact O-N 3.25Å; R64-V66 PolarHBondContact O-N 3.21Å; R64-Y67 WeakPolarHBondContact O-CB 3.19Å; R64-Y67 PolarHBondContact O-N 2.81Å; R64-E68 WeakPolarHBondContact CD-OE1 3.31Å; R64-E68 HydrophobicContact CG-CG 4.37Å; R64-E68 WeakPolarHBondContact CG-OE1 3.48Å; R64-E68 IonicContact NH1-OE1 3.38Å; R64-E68 IonicContact NH1-OE2 2.75Å; R64-E68 PolarHBondContact NH1-OE2 2.97Å; R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 2.69Å |
| 65 | E | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -176.9 | -72.7 | -71.9 | 171.6 | 0 | 0 | 112.4 | Q7 G50 G51 A61 Y67 E68 E69 | Q7-E65 PolarHBondContact NE2-OE1 2.96Å; G50-E65 WeakPolarHBondContact CA-OE1 3.5Å; G50-E65 WeakPolarHBondContact CA-OE2 3.35Å; G51-E65 PolarHBondContact N-OE1 3.22Å; A61-E65 WeakPolarHBondContact O-CB 3.46Å; A61-E65 VanDerWaalsContact O-CG 3.22Å; A61-E65 WeakPolarHBondContact O-CG 3.28Å; A61-E65 PolarHBondContact O-N 2.97Å; E65-Y67 VanDerWaalsContact C-N 3.35Å; E65-E68 PolarHBondContact O-N 2.8Å; E65-E69 VanDerWaalsContact O-CB 3.27Å; E65-E69 WeakPolarHBondContact O-CB 3.32Å; E65-E69 VanDerWaalsContact O-CG 3.29Å; E65-E69 WeakPolarHBondContact O-CG 3.39Å; E65-E69 PolarHBondContact O-N 3.4Å |
| 66 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.2 | -27.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 113.2 | C22 P48 A62 V63 R64 A70 G71 V72 L98 | C22-V66 HydrophobicContact CB-CG1 3.61Å; P48-V66 HydrophobicContact CB-CG1 4Å; P48-V66 HydrophobicContact CG-CG1 3.8Å; A62-V66 WeakPolarHBondContact O-CG1 3.24Å; A62-V66 WeakPolarHBondContact O-CG2 3.5Å; A62-V66 PolarHBondContact O-N 3.38Å; A62-V66 VanDerWaalsContact O-N 3.17Å; V63-V66 WeakPolarHBondContact O-CG2 3.34Å; V63-V66 PolarHBondContact O-N 2.74Å; R64-V66 PolarHBondContact O-N 3.21Å; V66-A70 CarbonylContact O-C 3.53Å; V66-A70 WeakPolarHBondContact O-CA 3.46Å; V66-A70 VanDerWaalsContact O-CB 3.32Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 2.91Å; V66-G71 PolarHBondContact O-N 2.81Å; V66-G71 VanDerWaalsContact O-N 3.11Å; V66-V72 HydrophobicContact CB-CG2 3.83Å; V66-V72 HydrophobicContact CG2-CG2 3.8Å; V66-V72 PolarHBondContact O-N 3.47Å; V66-L98 HydrophobicContact CG2-CD1 4.1Å |
| 67 | Y | 98 | Very high | 97.7 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 169.2 | -179.7 | -92.7 | 0 | 0 | 0 | 110.8 | V63 R64 E65 G71 K73 L104 | V63-Y67 WeakPolarHBondContact O-CB 3.26Å; V63-Y67 PolarHBondContact O-N 2.87Å; V63-Y67 VanDerWaalsContact O-N 3.07Å; R64-Y67 WeakPolarHBondContact O-CB 3.19Å; R64-Y67 PolarHBondContact O-N 2.81Å; E65-Y67 VanDerWaalsContact C-N 3.35Å; Y67-G71 VanDerWaalsContact O-CA 3.23Å; Y67-G71 WeakPolarHBondContact O-CA 3.06Å; Y67-G71 PolarHBondContact O-N 2.8Å; Y67-K73 HydrophobicContact CD2-CG 4.01Å; Y67-K73 HydrophobicContact CE2-CD 4.48Å; Y67-K73 HydrophobicContact CE2-CG 4.27Å; Y67-L104 HydrophobicContact CD2-CD1 4.1Å; Y67-L104 HydrophobicContact CE2-CD1 3.52Å |
| 68 | E | 96.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 37 Ų | 37 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.6 | -39.1 | -177.6 | -67.6 | 167.7 | 172.9 | 0 | 0 | 113.6 | K4 R64 E65 W107 D109 | K4-E68 IonicContact NZ-OE2 2.68Å; K4-E68 PolarHBondContact NZ-OE2 3.03Å; R64-E68 WeakPolarHBondContact CD-OE1 3.31Å; R64-E68 HydrophobicContact CG-CG 4.37Å; R64-E68 WeakPolarHBondContact CG-OE1 3.48Å; R64-E68 IonicContact NH1-OE1 3.38Å; R64-E68 IonicContact NH1-OE2 2.75Å; R64-E68 PolarHBondContact NH1-OE2 2.97Å; R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 2.69Å; E65-E68 PolarHBondContact O-N 2.8Å; E68-W107 VanDerWaalsContact O-CD1 3.26Å; E68-D109 VanDerWaalsContact O-CB 3.29Å; E68-D109 WeakPolarHBondContact O-CB 3.46Å; E68-D109 PolarHBondContact O-N 2.78Å |
| 69 | E | 97.5 | Very high | 97.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -91.9 | -34.5 | -174.5 | -60 | -139.7 | 144.8 | 0 | 0 | 113.5 | K2 P48 E65 W107 R115 | K2-E69 IonicContact NZ-OE1 3.87Å; K2-E69 PolarHBondContact NZ-OE1 2.88Å; P48-E69 HydrophobicContact CB-CB 4.14Å; E65-E69 VanDerWaalsContact O-CB 3.27Å; E65-E69 WeakPolarHBondContact O-CB 3.32Å; E65-E69 VanDerWaalsContact O-CG 3.29Å; E65-E69 WeakPolarHBondContact O-CG 3.39Å; E65-E69 PolarHBondContact O-N 3.4Å; E69-W107 PolarHBondContact O-NE1 2.94Å; E69-R115 WeakPolarHBondContact O-CD 3.43Å; E69-R115 IonicContact OE1-CZ 2.52Å; E69-R115 IonicContact OE1-NH1 3.74Å; E69-R115 IonicContact OE1-NH2 3.2Å; E69-R115 PolarHBondContact OE1-NH2 3.02Å; E69-R115 IonicContact OE2-CZ 2.75Å; E69-R115 VanDerWaalsContact OE2-CZ 3.3Å; E69-R115 IonicContact OE2-NH1 3.92Å; E69-R115 PolarHBondContact OE2-NH1 2.79Å; E69-R115 IonicContact OE2-NH2 3.33Å; E69-R115 PolarHBondContact OE2-NH2 2.91Å |
| 70 | A | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -115.2 | -9.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L34 V36 P48 V66 V72 R117 | L34-A70 HydrophobicContact CD2-CB 4Å; V36-A70 HydrophobicContact CG1-CB 3.6Å; P48-A70 HydrophobicContact CB-CB 4.11Å; P48-A70 HydrophobicContact CG-CB 4.22Å; V66-A70 CarbonylContact O-C 3.53Å; V66-A70 WeakPolarHBondContact O-CA 3.46Å; V66-A70 VanDerWaalsContact O-CB 3.32Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 2.91Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 HydrophobicContact CB-CG1 4.21Å; A70-V72 HydrophobicContact CB-CG2 4.23Å; A70-V72 PolarHBondContact O-N 2.91Å; A70-R117 WeakPolarHBondContact O-CD 3.48Å; A70-R117 PolarHBondContact O-NH1 3.42Å |
| 71 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 63.7 | 38.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V66 Y67 L104 W107 R117 | V66-G71 PolarHBondContact O-N 2.81Å; V66-G71 VanDerWaalsContact O-N 3.11Å; Y67-G71 VanDerWaalsContact O-CA 3.23Å; Y67-G71 WeakPolarHBondContact O-CA 3.06Å; Y67-G71 PolarHBondContact O-N 2.8Å; G71-L104 WeakPolarHBondContact O-CB 3.34Å; G71-L104 WeakPolarHBondContact O-CG 3.29Å; G71-L104 PolarHBondContact O-N 2.85Å; G71-W107 VanDerWaalsContact CA-CB 3.42Å; G71-W107 VanDerWaalsContact CA-CG 3.49Å; G71-R117 PolarHBondContact O-NH1 3.37Å | ||
| 72 | V | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.4 | -178.2 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | L34 V66 A70 L98 V100 E102 L103 | L34-V72 HydrophobicContact CD2-CG1 3.42Å; L34-V72 VanDerWaalsContact CD2-CG1 3.42Å; V66-V72 HydrophobicContact CB-CG2 3.83Å; V66-V72 HydrophobicContact CG2-CG2 3.8Å; V66-V72 PolarHBondContact O-N 3.47Å; A70-V72 VanDerWaalsContact C-N 3.33Å; A70-V72 HydrophobicContact CB-CG1 4.21Å; A70-V72 HydrophobicContact CB-CG2 4.23Å; A70-V72 PolarHBondContact O-N 2.91Å; V72-L98 HydrophobicContact CG2-CD2 4.43Å; V72-V100 HydrophobicContact CB-CG1 4.17Å; V72-V100 HydrophobicContact CB-CG2 4.24Å; V72-V100 HydrophobicContact CG1-CG1 4.22Å; V72-V100 HydrophobicContact CG1-CG2 4.34Å; V72-V100 HydrophobicContact CG2-CG2 4.43Å; V72-E102 WeakPolarHBondContact CA-O 3.45Å; V72-L103 HydrophobicContact CG1-CD2 3.64Å |
| 73 | K | 98.2 | Very high | 97.4 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.3 | 160.4 | -52.4 | -176.9 | -160.4 | 135.4 | 0 | 109.1 | Y67 T101 E102 | Y67-K73 HydrophobicContact CD2-CG 4.01Å; Y67-K73 HydrophobicContact CE2-CD 4.48Å; Y67-K73 HydrophobicContact CE2-CG 4.27Å; K73-T101 PolarHBondContact O-N 2.89Å; K73-T101 PolarHBondContact O-OG1 3.45Å; K73-E102 HydrophobicContact CB-CB 4.13Å; K73-E102 WeakPolarHBondContact CD-OE2 3.48Å; K73-E102 PolarHBondContact N-O 3.12Å; K73-E102 VanDerWaalsContact NZ-CD 3.31Å; K73-E102 IonicContact NZ-OE1 3.63Å; K73-E102 PolarHBondContact NZ-OE1 2.88Å; K73-E102 IonicContact NZ-OE2 2.78Å; K73-E102 PolarHBondContact NZ-OE2 2.9Å; K73-E102 PolarHBondContact O-N 2.96Å; K73-E102 VanDerWaalsContact O-N 3.11Å |
| 74 | G | 97.2 | Very high | 97.2 | Very high | 25 Ų | 25 | 44 Ų | 44 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | 178.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L76 T99 T101 | G74-L76 PolarHBondContact O-N 2.86Å; G74-T99 CarbonylContact C-O 3.58Å; G74-T99 WeakPolarHBondContact CA-O 3.48Å; G74-T101 WeakPolarHBondContact CA-OG1 3.48Å |
| 75 | K | 98.2 | Very high | 96.8 | Very high | 139 Ų | 139 | 44.6 Ų | 44.6 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112 | 173.2 | -174.8 | -177.4 | 175.5 | -169.3 | 0 | 108.5 | G77 L98 T99 | K75-G77 PolarHBondContact O-N 2.81Å; K75-L98 WeakPolarHBondContact O-CA 3.42Å; K75-T99 PolarHBondContact N-O 2.68Å; K75-T99 PolarHBondContact O-N 2.74Å |
| 76 | L | 98.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 125.9 | 171.4 | -171.1 | 68.2 | 0 | 0 | 0 | 109.1 | V63 G74 Y96 L98 | V63-L76 HydrophobicContact CG2-CB 4.16Å; V63-L76 HydrophobicContact CG2-CD1 4Å; V63-L76 HydrophobicContact CG2-CD2 4Å; V63-L76 HydrophobicContact CG2-CG 4.28Å; G74-L76 PolarHBondContact O-N 2.86Å; L76-Y96 HydrophobicContact CD1-CD1 4.13Å; L76-Y96 HydrophobicContact CD1-CG 3.99Å; L76-Y96 HydrophobicContact CD2-CD1 4.36Å; L76-Y96 HydrophobicContact CG-CD1 4.29Å; L76-L98 HydrophobicContact CD1-CD1 4.4Å |
| 77 | G | 97.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -147.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K75 V97 | K75-G77 PolarHBondContact O-N 2.81Å; G77-V97 WeakPolarHBondContact CA-O 3.1Å; G77-V97 PolarHBondContact N-O 2.88Å |
| 78 | R | 97 | Very high | 94.6 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 45% | 0.445 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 151.4 | -176.9 | 69.7 | -172.8 | -179.3 | -73 | 0.8 | 112.5 | E30 L80 Y96 V97 | E30-R78 IonicContact OE1-CZ 3.63Å; E30-R78 IonicContact OE1-NH1 2.71Å; E30-R78 PolarHBondContact OE1-NH1 2.93Å; E30-R78 IonicContact OE1-NH2 3.22Å; E30-R78 PolarHBondContact OE1-NH2 2.76Å; E30-R78 IonicContact OE2-CZ 2.83Å; E30-R78 IonicContact OE2-NH1 2.82Å; E30-R78 IonicContact OE2-NH2 3.66Å; E30-R78 PolarHBondContact OE2-NH2 2.98Å; R78-L80 PolarHBondContact O-N 2.97Å; R78-Y96 WeakPolarHBondContact O-CA 3.35Å; R78-V97 HydrophobicContact CG-CB 4.41Å; R78-V97 HydrophobicContact CG-CG2 4.13Å; R78-V97 PolarHBondContact O-N 2.87Å |
| 79 | L | 97.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 61.5 Ų | 61.5 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 116.1 | 160.3 | 177 | 67.6 | 0 | 0 | 0 | 108.1 | G81 Y94 V95 Y96 | L79-G81 VanDerWaalsContact C-N 3.34Å; L79-Y94 HydrophobicContact CD1-CD1 4.37Å; L79-V95 WeakPolarHBondContact CD1-O 3.33Å; L79-Y96 HydrophobicContact CB-CD1 4.08Å; L79-Y96 HydrophobicContact CB-CE1 3.72Å; L79-Y96 HydrophobicContact CD1-CD1 4.41Å; L79-Y96 HydrophobicContact CD1-CD2 4.04Å; L79-Y96 HydrophobicContact CD1-CE1 4.08Å; L79-Y96 HydrophobicContact CD1-CE2 3.68Å; L79-Y96 HydrophobicContact CD1-CG 4.39Å; L79-Y96 HydrophobicContact CG-CE1 4.47Å |
| 80 | L | 96.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -33 | 174.9 | -176.5 | 63.8 | 0 | 0 | 0 | 111.3 | L23 R78 F83 V95 Y139 K142 L143 | L23-L80 HydrophobicContact CD1-CD2 3.6Å; R78-L80 PolarHBondContact O-N 2.97Å; L80-F83 HydrophobicContact CD2-CE2 4.48Å; L80-F83 HydrophobicContact CD2-CZ 4.34Å; L80-F83 HydrophobicContact CG-CE2 4.48Å; L80-F83 HydrophobicContact CG-CZ 4.45Å; L80-V95 HydrophobicContact CB-CG1 4.47Å; L80-V95 WeakPolarHBondContact CB-O 3.48Å; L80-V95 HydrophobicContact CD2-CG1 4.26Å; L80-V95 PolarHBondContact N-O 2.84Å; L80-Y139 VanDerWaalsContact CD2-O 3.27Å; L80-Y139 WeakPolarHBondContact CD2-O 3.44Å; L80-K142 HydrophobicContact CD1-CG 4.49Å; L80-K142 HydrophobicContact CG-CD 4.4Å; L80-K142 WeakPolarHBondContact O-CE 3.49Å; L80-K142 PolarHBondContact O-NZ 2.92Å; L80-L143 HydrophobicContact CD1-CD1 4.13Å; L80-L143 HydrophobicContact CD2-CB 4.47Å; L80-L143 HydrophobicContact CD2-CD1 4.4Å |
| 81 | G | 96.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -173.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L79 V95 | L79-G81 VanDerWaalsContact C-N 3.34Å; G81-V95 PolarHBondContact N-O 3.35Å; G81-V95 PolarHBondContact O-N 3.05Å |
| 82 | V | 96.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 67.7 Ų | 67.7 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.6 | 175.6 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | R92 T93 Y94 | V82-R92 HydrophobicContact CG1-CG 3.2Å; V82-T93 WeakPolarHBondContact CA-O 3.18Å; V82-Y94 HydrophobicContact CG2-CD1 3.58Å; V82-Y94 HydrophobicContact CG2-CE1 3.64Å; V82-Y94 HydrophobicContact CG2-CG 4.26Å |
| 83 | F | 95.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.7 | -175.8 | -64.8 | -101 | 0 | 0 | 0 | 110.2 | L80 R92 T93 V95 V135 E138 Y139 K142 | L80-F83 HydrophobicContact CD2-CE2 4.48Å; L80-F83 HydrophobicContact CD2-CZ 4.34Å; L80-F83 HydrophobicContact CG-CE2 4.48Å; L80-F83 HydrophobicContact CG-CZ 4.45Å; F83-R92 WeakPolarHBondContact O-CA 3.08Å; F83-T93 PolarHBondContact N-O 3.38Å; F83-T93 PolarHBondContact O-N 3.45Å; F83-V95 HydrophobicContact CD2-CB 3.93Å; F83-V95 HydrophobicContact CD2-CG2 3.47Å; F83-V95 VanDerWaalsContact CD2-CG2 3.47Å; F83-V95 HydrophobicContact CE2-CB 3.8Å; F83-V95 HydrophobicContact CE2-CG1 4.47Å; F83-V95 HydrophobicContact CE2-CG2 3.82Å; F83-V95 HydrophobicContact CG-CG2 4.41Å; F83-V135 HydrophobicContact CB-CG1 4.47Å; F83-E138 HydrophobicContact CE1-CB 4.4Å; F83-Y139 HydrophobicContact CB-CD1 4.08Å; F83-Y139 HydrophobicContact CB-CE1 3.4Å; F83-Y139 VanDerWaalsContact CB-CE1 3.4Å; F83-Y139 AromaticContact CD1-CD1 3.46Å; F83-Y139 HydrophobicContact CD1-CD1 3.46Å; F83-Y139 VanDerWaalsContact CD1-CD1 3.46Å; F83-Y139 AromaticContact CD1-CE1 3.69Å; F83-Y139 HydrophobicContact CD1-CE1 3.69Å; F83-Y139 AromaticContact CD2-CD1 3.63Å; F83-Y139 HydrophobicContact CD2-CD1 3.63Å; F83-Y139 AromaticContact CD2-CE1 3.72Å; F83-Y139 HydrophobicContact CD2-CE1 3.72Å; F83-Y139 AromaticContact CE1-CD1 3.61Å; F83-Y139 HydrophobicContact CE1-CD1 3.61Å; F83-Y139 HydrophobicContact CE1-CE1 4.31Å; F83-Y139 AromaticContact CE2-CD1 3.77Å; F83-Y139 HydrophobicContact CE2-CD1 3.77Å; F83-Y139 HydrophobicContact CE2-CE1 4.33Å; F83-Y139 HydrophobicContact CE2-CG 4.42Å; F83-Y139 AromaticContact CG-CD1 3.45Å; F83-Y139 HydrophobicContact CG-CD1 3.45Å; F83-Y139 VanDerWaalsContact CG-CD1 3.45Å; F83-Y139 AromaticContact CG-CE1 3.33Å; F83-Y139 HydrophobicContact CG-CE1 3.33Å; F83-Y139 AromaticContact CZ-CD1 3.73Å; F83-Y139 HydrophobicContact CZ-CD1 3.73Å; F83-Y139 HydrophobicContact CZ-CG 4.4Å; F83-K142 HydrophobicContact CE1-CB 4.25Å; F83-K142 HydrophobicContact CE1-CD 3.9Å; F83-K142 HydrophobicContact CE2-CD 4.31Å; F83-K142 HydrophobicContact CZ-CB 4.03Å; F83-K142 HydrophobicContact CZ-CD 3.44Å; F83-K142 VanDerWaalsContact CZ-CD 3.44Å; F83-K142 HydrophobicContact CZ-CG 4.34Å |
| 84 | E | 93.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 66.6 Ų | 66.6 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133 | -172.7 | -65 | -177.1 | 171.7 | 0 | 0 | 110.9 | R92 | E84-R92 HydrophobicContact CG-CG 4.12Å; E84-R92 IonicContact OE1-CZ 2.77Å; E84-R92 IonicContact OE1-NE 3.04Å; E84-R92 PolarHBondContact OE1-NE 3.41Å; E84-R92 IonicContact OE1-NH2 3.38Å; E84-R92 PolarHBondContact OE1-NH2 3.25Å |
| 85 | Q | 89.1 | Confident | 93.3 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.4 | 164.3 | -176.5 | 171.1 | -40.2 | 0 | 0 | 108.1 | Q87 K90 H91 V135 | Q85-Q87 VanDerWaalsContact C-N 3.34Å; Q85-Q87 HydrophobicContact CG-CB 4.43Å; Q85-K90 WeakPolarHBondContact O-CA 3.47Å; Q85-H91 WeakPolarHBondContact CB-CE1 3.24Å; Q85-H91 PolarHBondContact N-O 3.45Å; Q85-H91 PolarHBondContact O-N 2.91Å; Q85-H91 VanDerWaalsContact O-N 3.12Å; Q85-H91 PolarHBondContact OE1-CE1 3.43Å; Q85-H91 PolarHBondContact OE1-NE2 3.05Å; Q85-V135 HydrophobicContact CB-CG2 4.42Å; Q85-V135 HydrophobicContact CG-CG2 4.5Å |
| 86 | N | 87.1 | Confident | 93.3 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | trans | -84.3 | -9.1 | -177.9 | -70.5 | -40.6 | 0 | 0 | 0 | 113.7 | F16 | F16-N86 WeakPolarHBondContact CE1-OD1 3.44Å; F16-N86 WeakPolarHBondContact CZ-OD1 3.44Å | ||
| 87 | Q | 82.9 | Confident | 93.3 | Very high | 154 Ų | 154 | 57.7 Ų | 57.7 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -86.2 | 137.6 | 176.1 | -63.7 | -178.3 | 27.2 | 0 | 0 | 110.6 | Q85 P89 | Q85-Q87 VanDerWaalsContact C-N 3.34Å; Q85-Q87 HydrophobicContact CG-CB 4.43Å; Q87-P89 CarbonylContact O-C 3.57Å; Q87-P89 VanDerWaalsContact O-O 3.11Å |
| 88 | D | 76.9 | Confident | 93.4 | Very high | 141 Ų | 141 | 56 Ų | 56 | 75% | 0.754 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -60.8 | 133 | -178 | -79.1 | -50.2 | 0 | 0 | 0 | 113 | ||
| 89 | P | 80.9 | Confident | 93.5 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | S | Bend | cis | -75.3 | 128.6 | -1.9 | 30.7 | -33.6 | 0 | 0 | 0 | 112.5 | Q87 H91 | Q87-P89 CarbonylContact O-C 3.57Å; Q87-P89 VanDerWaalsContact O-O 3.11Å; P89-H91 PolarHBondContact O-CD2 3.1Å; P89-H91 PolarHBondContact O-N 2.9Å |
| 90 | K | 91.5 | Very high | 93.5 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 132.5 | 176.2 | -67.1 | -177.4 | -175.9 | -178.1 | 0 | 111.7 | F16 K17 Q85 | F16-K90 HydrophobicContact CD1-CB 3.75Å; F16-K90 HydrophobicContact CE1-CB 4.02Å; F16-K90 HydrophobicContact CE1-CD 4.32Å; F16-K90 HydrophobicContact CE1-CG 4.38Å; F16-K90 HydrophobicContact CG-CB 4.23Å; F16-K90 HydrophobicContact CZ-CD 4.26Å; K17-K90 PolarHBondContact N-O 3.11Å; Q85-K90 WeakPolarHBondContact O-CA 3.47Å |
| 91 | H | 93.6 | Very high | 93.6 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 6% | 0.06 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 150.3 | 174.4 | 62.3 | 68.9 | 0 | 0 | 0 | 113.7 | K17 R19 Q85 P89 T93 | K17-H91 HydrophobicContact CB-CB 4.13Å; K17-H91 VanDerWaalsContact O-CA 3.27Å; K17-H91 WeakPolarHBondContact O-CA 3.39Å; K17-H91 WeakPolarHBondContact O-CB 3.27Å; R19-H91 HydrophobicContact CG-CB 4.23Å; Q85-H91 WeakPolarHBondContact CB-CE1 3.24Å; Q85-H91 PolarHBondContact N-O 3.45Å; Q85-H91 PolarHBondContact O-N 2.91Å; Q85-H91 VanDerWaalsContact O-N 3.12Å; Q85-H91 PolarHBondContact OE1-CE1 3.43Å; Q85-H91 PolarHBondContact OE1-NE2 3.05Å; P89-H91 PolarHBondContact O-CD2 3.1Å; P89-H91 PolarHBondContact O-N 2.9Å; H91-T93 PolarHBondContact ND1-OG1 3.18Å |
| 92 | R | 96 | Very high | 93.6 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.9 | 177.2 | -173.5 | 176.5 | -80.9 | 158.2 | -7.9 | 108 | D12 E14 F16 K17 R19 V82 F83 E84 | D12-R92 IonicContact OD2-CZ 3.25Å; D12-R92 IonicContact OD2-NE 3.5Å; D12-R92 IonicContact OD2-NH1 3.7Å; D12-R92 PolarHBondContact OD2-NH1 2.81Å; E14-R92 IonicContact OE1-CZ 3.62Å; E14-R92 IonicContact OE1-NH1 3.58Å; E14-R92 PolarHBondContact OE1-NH1 3.17Å; E14-R92 IonicContact OE1-NH2 3.47Å; E14-R92 PolarHBondContact OE1-NH2 3.48Å; E14-R92 IonicContact OE2-NH2 2.81Å; F16-R92 HydrophobicContact CB-CB 4.02Å; F16-R92 HydrophobicContact CD1-CB 4.46Å; F16-R92 HydrophobicContact CG-CB 4.47Å; K17-R92 PolarHBondContact O-N 2.86Å; R19-R92 PolarHBondContact N-O 3.47Å; V82-R92 HydrophobicContact CG1-CG 3.2Å; F83-R92 WeakPolarHBondContact O-CA 3.08Å; E84-R92 HydrophobicContact CG-CG 4.12Å; E84-R92 IonicContact OE1-CZ 2.77Å; E84-R92 IonicContact OE1-NE 3.04Å; E84-R92 PolarHBondContact OE1-NE 3.41Å; E84-R92 IonicContact OE1-NH2 3.38Å; E84-R92 PolarHBondContact OE1-NH2 3.25Å |
| 93 | T | 97.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.3 | -171.6 | -49 | 0 | 0 | 0 | 0 | 110.5 | R19 A21 V82 F83 H91 V95 | R19-T93 HydrophobicContact CB-CG2 4Å; R19-T93 CarbonylContact O-C 3.46Å; R19-T93 WeakPolarHBondContact O-CA 3.32Å; A21-T93 HydrophobicContact CB-CG2 3.83Å; V82-T93 WeakPolarHBondContact CA-O 3.18Å; F83-T93 PolarHBondContact N-O 3.38Å; F83-T93 PolarHBondContact O-N 3.45Å; H91-T93 PolarHBondContact ND1-OG1 3.18Å; T93-V95 HydrophobicContact CG2-CG2 3.96Å |
| 94 | Y | 98.2 | Very high | 93.8 | Very high | 59 Ų | 59 | 57 Ų | 57 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.8 | 167.4 | -63.9 | -100.7 | 0 | 0 | 0 | 108.6 | R19 A20 A21 M52 P58 L79 V82 | R19-Y94 WeakPolarHBondContact O-CD2 3.31Å; R19-Y94 PolarHBondContact O-N 2.94Å; A20-Y94 CarbonylContact C-O 3.15Å; A20-Y94 VanDerWaalsContact CA-O 3.31Å; A20-Y94 WeakPolarHBondContact CA-O 3.33Å; A21-Y94 PolarHBondContact N-O 3.48Å; M52-Y94 HydrophobicContact SD-CD2 3.86Å; M52-Y94 HydrophobicContact SD-CE2 3.99Å; P58-Y94 HydrophobicContact CB-CD1 3.81Å; P58-Y94 HydrophobicContact CB-CD2 4.02Å; P58-Y94 HydrophobicContact CB-CE1 4.39Å; P58-Y94 HydrophobicContact CB-CG 3.61Å; P58-Y94 HydrophobicContact CG-CD1 3.94Å; P58-Y94 HydrophobicContact CG-CD2 4.24Å; P58-Y94 HydrophobicContact CG-CE1 4.01Å; P58-Y94 HydrophobicContact CG-CE2 4.32Å; P58-Y94 HydrophobicContact CG-CG 4.07Å; L79-Y94 HydrophobicContact CD1-CD1 4.37Å; V82-Y94 HydrophobicContact CG2-CD1 3.58Å; V82-Y94 HydrophobicContact CG2-CE1 3.64Å; V82-Y94 HydrophobicContact CG2-CG 4.26Å |
| 95 | V | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.1 | -176.8 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | A21 L23 L79 L80 G81 F83 T93 Y139 | A21-V95 HydrophobicContact CB-CG2 4.45Å; A21-V95 WeakPolarHBondContact O-CA 3.11Å; L23-V95 HydrophobicContact CG-CG1 4.03Å; L79-V95 WeakPolarHBondContact CD1-O 3.33Å; L80-V95 HydrophobicContact CB-CG1 4.47Å; L80-V95 WeakPolarHBondContact CB-O 3.48Å; L80-V95 HydrophobicContact CD2-CG1 4.26Å; L80-V95 PolarHBondContact N-O 2.84Å; G81-V95 PolarHBondContact N-O 3.35Å; G81-V95 PolarHBondContact O-N 3.05Å; F83-V95 HydrophobicContact CD2-CB 3.93Å; F83-V95 HydrophobicContact CD2-CG2 3.47Å; F83-V95 VanDerWaalsContact CD2-CG2 3.47Å; F83-V95 HydrophobicContact CE2-CB 3.8Å; F83-V95 HydrophobicContact CE2-CG1 4.47Å; F83-V95 HydrophobicContact CE2-CG2 3.82Å; F83-V95 HydrophobicContact CG-CG2 4.41Å; T93-V95 HydrophobicContact CG2-CG2 3.96Å; V95-Y139 HydrophobicContact CG1-CD2 4.09Å; V95-Y139 HydrophobicContact CG1-CG 4.18Å; V95-Y139 HydrophobicContact CG2-CD1 3.96Å; V95-Y139 HydrophobicContact CG2-CD2 3.86Å; V95-Y139 HydrophobicContact CG2-CE1 3.83Å; V95-Y139 HydrophobicContact CG2-CE2 3.72Å; V95-Y139 HydrophobicContact CG2-CG 3.99Å |
| 96 | Y | 98.5 | Very high | 94 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 160.7 | 176.1 | -71.5 | -97.8 | 0 | 0 | 0 | 111.5 | A21 C22 L23 P58 A62 L76 R78 L79 | A21-Y96 PolarHBondContact O-N 2.99Å; C22-Y96 CarbonylContact C-O 3.49Å; C22-Y96 VanDerWaalsContact CA-O 3.26Å; C22-Y96 WeakPolarHBondContact CA-O 3.33Å; L23-Y96 PolarHBondContact N-O 2.67Å; P58-Y96 HydrophobicContact CB-CE2 4.05Å; A62-Y96 HydrophobicContact CB-CD2 3.88Å; L76-Y96 HydrophobicContact CD1-CD1 4.13Å; L76-Y96 HydrophobicContact CD1-CG 3.99Å; L76-Y96 HydrophobicContact CD2-CD1 4.36Å; L76-Y96 HydrophobicContact CG-CD1 4.29Å; R78-Y96 WeakPolarHBondContact O-CA 3.35Å; L79-Y96 HydrophobicContact CB-CD1 4.08Å; L79-Y96 HydrophobicContact CB-CE1 3.72Å; L79-Y96 HydrophobicContact CD1-CD1 4.41Å; L79-Y96 HydrophobicContact CD1-CD2 4.04Å; L79-Y96 HydrophobicContact CD1-CE1 4.08Å; L79-Y96 HydrophobicContact CD1-CE2 3.68Å; L79-Y96 HydrophobicContact CD1-CG 4.39Å; L79-Y96 HydrophobicContact CG-CE1 4.47Å |
| 97 | V | 98.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.2 | 164.5 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | F25 E30 G77 R78 L143 | F25-V97 HydrophobicContact CD2-CG1 3.74Å; F25-V97 HydrophobicContact CE2-CG1 3.87Å; F25-V97 HydrophobicContact CE2-CG2 4.3Å; E30-V97 WeakPolarHBondContact OE1-CG1 3.44Å; G77-V97 WeakPolarHBondContact CA-O 3.1Å; G77-V97 PolarHBondContact N-O 2.88Å; R78-V97 HydrophobicContact CG-CB 4.41Å; R78-V97 HydrophobicContact CG-CG2 4.13Å; R78-V97 PolarHBondContact O-N 2.87Å; V97-L143 HydrophobicContact CG2-CD1 4.15Å |
| 98 | L | 98.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 123.3 | 174.1 | -178.9 | 142.9 | 0 | 0 | 0 | 110 | C22 L23 C24 F25 V63 V66 V72 K75 L76 V100 | C22-L98 HydrophobicContact CB-CB 3.96Å; L23-L98 PolarHBondContact O-N 3.42Å; C24-L98 CarbonylContact C-O 3.31Å; C24-L98 WeakPolarHBondContact CA-O 3.18Å; C24-L98 HydrophobicContact CB-CD2 4.45Å; F25-L98 PolarHBondContact N-O 3.4Å; V63-L98 HydrophobicContact CG2-CD1 4.42Å; V66-L98 HydrophobicContact CG2-CD1 4.1Å; V72-L98 HydrophobicContact CG2-CD2 4.43Å; K75-L98 WeakPolarHBondContact O-CA 3.42Å; L76-L98 HydrophobicContact CD1-CD1 4.4Å; L98-V100 HydrophobicContact CD2-CG2 3.81Å |
| 99 | T | 98.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 114.6 | 171.7 | -52.3 | 0 | 0 | 0 | 0 | 108.5 | E28 G74 K75 T101 | E28-T99 HydrophobicContact CG-CG2 4.31Å; E28-T99 VanDerWaalsContact OE1-CB 3.32Å; E28-T99 WeakPolarHBondContact OE1-CB 3.32Å; E28-T99 WeakPolarHBondContact OE1-CG2 3.47Å; E28-T99 PolarHBondContact OE1-OG1 3Å; G74-T99 CarbonylContact C-O 3.58Å; G74-T99 WeakPolarHBondContact CA-O 3.48Å; K75-T99 PolarHBondContact N-O 2.68Å; K75-T99 PolarHBondContact O-N 2.74Å; T99-T101 PolarHBondContact O-N 3.47Å |
| 100 | V | 98.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.2 | -177.6 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | C24 F25 V72 L98 L103 W119 | C24-V100 HydrophobicContact CB-CG2 3.76Å; F25-V100 PolarHBondContact O-N 3.21Å; V72-V100 HydrophobicContact CB-CG1 4.17Å; V72-V100 HydrophobicContact CB-CG2 4.24Å; V72-V100 HydrophobicContact CG1-CG1 4.22Å; V72-V100 HydrophobicContact CG1-CG2 4.34Å; V72-V100 HydrophobicContact CG2-CG2 4.43Å; L98-V100 HydrophobicContact CD2-CG2 3.81Å; V100-L103 HydrophobicContact CG1-CD2 4.31Å; V100-L103 HydrophobicContact CG1-CG 4.18Å; V100-W119 HydrophobicContact CB-CH2 4.02Å; V100-W119 HydrophobicContact CB-CZ2 4.47Å; V100-W119 HydrophobicContact CG1-CH2 4.47Å; V100-W119 HydrophobicContact CG1-CZ2 4.45Å; V100-W119 HydrophobicContact CG2-CH2 3.77Å; V100-W119 HydrophobicContact CG2-CZ2 4.48Å |
| 101 | T | 98 | Very high | 96.4 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 66% | 0.656 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -21.6 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | K73 G74 T99 | K73-T101 PolarHBondContact O-N 2.89Å; K73-T101 PolarHBondContact O-OG1 3.45Å; G74-T101 WeakPolarHBondContact CA-OG1 3.48Å; T99-T101 PolarHBondContact O-N 3.47Å |
| 102 | E | 98.1 | Very high | 96.4 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136 | -177.1 | -169.6 | -172.2 | 145.9 | 0 | 0 | 110.2 | V72 K73 L104 | V72-E102 WeakPolarHBondContact CA-O 3.45Å; K73-E102 HydrophobicContact CB-CB 4.13Å; K73-E102 WeakPolarHBondContact CD-OE2 3.48Å; K73-E102 PolarHBondContact N-O 3.12Å; K73-E102 VanDerWaalsContact NZ-CD 3.31Å; K73-E102 IonicContact NZ-OE1 3.63Å; K73-E102 PolarHBondContact NZ-OE1 2.88Å; K73-E102 IonicContact NZ-OE2 2.78Å; K73-E102 PolarHBondContact NZ-OE2 2.9Å; K73-E102 PolarHBondContact O-N 2.96Å; K73-E102 VanDerWaalsContact O-N 3.11Å; E102-L104 VanDerWaalsContact OE1-CD2 3.25Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.42Å |
| 103 | L | 97.8 | Very high | 96.2 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.1 | 173.1 | -75.8 | 164 | 0 | 0 | 0 | 108.4 | L34 V72 V100 W119 | L34-L103 HydrophobicContact CD2-CD2 4.47Å; V72-L103 HydrophobicContact CG1-CD2 3.64Å; V100-L103 HydrophobicContact CG1-CD2 4.31Å; V100-L103 HydrophobicContact CG1-CG 4.18Å; L103-W119 HydrophobicContact CD1-CZ2 4.36Å; L103-W119 HydrophobicContact CD2-CZ2 4.36Å |
| 104 | L | 97.4 | Very high | 96 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | trans | -75.6 | 136.4 | 174.1 | -58.5 | 178.2 | 0 | 0 | 0 | 110.4 | Y67 G71 E102 R117 | Y67-L104 HydrophobicContact CD2-CD1 4.1Å; Y67-L104 HydrophobicContact CE2-CD1 3.52Å; G71-L104 WeakPolarHBondContact O-CB 3.34Å; G71-L104 WeakPolarHBondContact O-CG 3.29Å; G71-L104 PolarHBondContact O-N 2.85Å; E102-L104 VanDerWaalsContact OE1-CD2 3.25Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.42Å; L104-R117 PolarHBondContact O-NH1 3.37Å; L104-R117 PolarHBondContact O-NH2 3.02Å | ||
| 105 | E | 93.4 | Very high | 95.9 | Very high | 173 Ų | 173 | 53.2 Ų | 53.2 | 81% | 0.808 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -65.8 | -50.5 | 176 | -66.4 | -176.7 | 171.2 | 0 | 0 | 111.1 | W107 | E105-W107 WeakPolarHBondContact O-CZ3 3.38Š|
| 106 | D | 93.8 | Very high | 95.9 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 65% | 0.652 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -111.5 | 138 | 174.3 | -65 | -48.8 | 0 | 0 | 0 | 110.6 | V111 | D106-V111 HydrophobicContact CB-CG2 4.15Š|
| 107 | W | 95.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | trans | -144.9 | 166.3 | 177.8 | 70.8 | 98.6 | 0 | 0 | 0 | 110.9 | E68 E69 G71 E105 D109 S110 V111 R115 R117 | E68-W107 VanDerWaalsContact O-CD1 3.26Å; E69-W107 PolarHBondContact O-NE1 2.94Å; G71-W107 VanDerWaalsContact CA-CB 3.42Å; G71-W107 VanDerWaalsContact CA-CG 3.49Å; E105-W107 WeakPolarHBondContact O-CZ3 3.38Å; W107-D109 PolarHBondContact O-N 3.17Å; W107-S110 VanDerWaalsContact CD2-CB 3.47Å; W107-S110 VanDerWaalsContact CE2-CB 3.45Å; W107-S110 VanDerWaalsContact CE3-OG 3.3Å; W107-S110 PolarHBondContact N-OG 2.82Å; W107-S110 VanDerWaalsContact N-OG 3.07Å; W107-S110 PolarHBondContact O-N 2.85Å; W107-S110 VanDerWaalsContact O-N 3.12Å; W107-S110 PolarHBondContact O-OG 2.83Å; W107-V111 WeakPolarHBondContact O-CG2 3.27Å; W107-V111 PolarHBondContact O-N 3.43Å; W107-V111 VanDerWaalsContact O-N 3.07Å; W107-R115 VanDerWaalsContact CZ2-O 3.24Å; W107-R115 WeakPolarHBondContact CZ2-O 3.47Å; W107-R117 HydrophobicContact CH2-CB 4.48Å; W107-R117 HydrophobicContact CH2-CG 3.91Å; W107-R117 HydrophobicContact CZ2-CB 4.34Å; W107-R117 HydrophobicContact CZ2-CG 4.23Å | ||
| 108 | E | 92.4 | Very high | 95.8 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.3 | -53.3 | -170.6 | -178.2 | 179.8 | 124.1 | 0 | 0 | 112.8 | K4 V111 S112 | K4-E108 WeakPolarHBondContact CE-OE1 3.26Å; K4-E108 IonicContact NZ-OE1 2.74Å; E108-V111 PolarHBondContact O-N 3.1Å; E108-S112 WeakPolarHBondContact O-CB 3.32Å; E108-S112 PolarHBondContact O-N 2.98Å; E108-S112 PolarHBondContact O-OG 3.41Å |
| 109 | D | 94.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.5 | -25.2 | -178.1 | -85.9 | 20.3 | 0 | 0 | 0 | 113.7 | K2 E68 W107 I113 G114 R115 | K2-D109 WeakPolarHBondContact CE-OD1 3.36Å; K2-D109 IonicContact NZ-OD1 3.79Å; K2-D109 PolarHBondContact NZ-OD1 3.44Å; K2-D109 IonicContact NZ-OD2 3.75Å; K2-D109 PolarHBondContact NZ-OD2 3.23Å; E68-D109 VanDerWaalsContact O-CB 3.29Å; E68-D109 WeakPolarHBondContact O-CB 3.46Å; E68-D109 PolarHBondContact O-N 2.78Å; W107-D109 PolarHBondContact O-N 3.17Å; D109-I113 HydrophobicContact CB-CD1 4.24Å; D109-I113 HydrophobicContact CB-CG1 4.07Å; D109-I113 WeakPolarHBondContact O-CG1 3.09Å; D109-I113 PolarHBondContact O-N 3.47Å; D109-G114 PolarHBondContact O-N 3.24Å; D109-R115 HydrophobicContact CB-CB 3.73Å; D109-R115 HydrophobicContact CB-CG 4.37Å; D109-R115 WeakPolarHBondContact O-CB 3.23Å; D109-R115 PolarHBondContact O-N 2.81Å; D109-R115 IonicContact OD2-CZ 3.71Å; D109-R115 IonicContact OD2-NE 2.69Å; D109-R115 PolarHBondContact OD2-NE 3.22Å; D109-R115 IonicContact OD2-NH2 3.39Å; D109-R115 PolarHBondContact OD2-NH2 3.11Å |
| 110 | S | 94.5 | Very high | 95.8 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | W107 G114 | W107-S110 VanDerWaalsContact CD2-CB 3.47Å; W107-S110 VanDerWaalsContact CE2-CB 3.45Å; W107-S110 VanDerWaalsContact CE3-OG 3.3Å; W107-S110 PolarHBondContact N-OG 2.82Å; W107-S110 VanDerWaalsContact N-OG 3.07Å; W107-S110 PolarHBondContact O-N 2.85Å; W107-S110 VanDerWaalsContact O-N 3.12Å; W107-S110 PolarHBondContact O-OG 2.83Å; S110-G114 WeakPolarHBondContact O-CA 3.29Å; S110-G114 PolarHBondContact O-N 3.4Å |
| 111 | V | 93.5 | Very high | 95.8 | Very high | 108 Ų | 108 | 73.7 Ų | 73.7 | 66% | 0.655 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.7 | -43.5 | -177 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | D106 W107 E108 | D106-V111 HydrophobicContact CB-CG2 4.15Å; W107-V111 WeakPolarHBondContact O-CG2 3.27Å; W107-V111 PolarHBondContact O-N 3.43Å; W107-V111 VanDerWaalsContact O-N 3.07Å; E108-V111 PolarHBondContact O-N 3.1Å |
| 112 | S | 92.2 | Very high | 95.8 | Very high | 75 Ų | 75 | 69 Ų | 69 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.9 | -35.1 | -172.6 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | E108 | E108-S112 WeakPolarHBondContact O-CB 3.32Å; E108-S112 PolarHBondContact O-N 2.98Å; E108-S112 PolarHBondContact O-OG 3.41Å |
| 113 | I | 92.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -132.6 | 5.9 | -173.8 | 66 | 166.9 | 0 | 0 | 0 | 113.9 | K2 D109 R115 | K2-I113 HydrophobicContact CB-CD1 4.3Å; K2-I113 HydrophobicContact CD-CD1 4.22Å; D109-I113 HydrophobicContact CB-CD1 4.24Å; D109-I113 HydrophobicContact CB-CG1 4.07Å; D109-I113 WeakPolarHBondContact O-CG1 3.09Å; D109-I113 PolarHBondContact O-N 3.47Å; I113-R115 VanDerWaalsContact C-N 3.29Å; I113-R115 HydrophobicContact CD1-CB 4.31Å; I113-R115 HydrophobicContact CG1-CB 4.1Å; I113-R115 PolarHBondContact O-N 3.07Å |
| 114 | G | 93.9 | Very high | 95.7 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | trans | 67.2 | 28.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D109 S110 K116 | D109-G114 PolarHBondContact O-N 3.24Å; S110-G114 WeakPolarHBondContact O-CA 3.29Å; S110-G114 PolarHBondContact O-N 3.4Å; G114-K116 PolarHBondContact O-N 2.95Å | ||
| 115 | R | 96.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 67.1 Ų | 67.1 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | trans | -64.3 | 136.1 | 179.7 | -172.2 | 173.3 | -71.8 | -131.3 | 28.2 | 110.1 | V36 S37 E69 W107 D109 I113 | V36-R115 HydrophobicContact CB-CG 4.11Å; V36-R115 VanDerWaalsContact CG2-NH1 3.31Å; S37-R115 PolarHBondContact O-NH1 3.46Å; E69-R115 WeakPolarHBondContact O-CD 3.43Å; E69-R115 IonicContact OE1-CZ 2.52Å; E69-R115 IonicContact OE1-NH1 3.74Å; E69-R115 IonicContact OE1-NH2 3.2Å; E69-R115 PolarHBondContact OE1-NH2 3.02Å; E69-R115 IonicContact OE2-CZ 2.75Å; E69-R115 VanDerWaalsContact OE2-CZ 3.3Å; E69-R115 IonicContact OE2-NH1 3.92Å; E69-R115 PolarHBondContact OE2-NH1 2.79Å; E69-R115 IonicContact OE2-NH2 3.33Å; E69-R115 PolarHBondContact OE2-NH2 2.91Å; W107-R115 VanDerWaalsContact CZ2-O 3.24Å; W107-R115 WeakPolarHBondContact CZ2-O 3.47Å; D109-R115 HydrophobicContact CB-CB 3.73Å; D109-R115 HydrophobicContact CB-CG 4.37Å; D109-R115 WeakPolarHBondContact O-CB 3.23Å; D109-R115 PolarHBondContact O-N 2.81Å; D109-R115 IonicContact OD2-CZ 3.71Å; D109-R115 IonicContact OD2-NE 2.69Å; D109-R115 PolarHBondContact OD2-NE 3.22Å; D109-R115 IonicContact OD2-NH2 3.39Å; D109-R115 PolarHBondContact OD2-NH2 3.11Å; I113-R115 VanDerWaalsContact C-N 3.29Å; I113-R115 HydrophobicContact CD1-CB 4.31Å; I113-R115 HydrophobicContact CG1-CB 4.1Å; I113-R115 PolarHBondContact O-N 3.07Å | ||
| 116 | K | 97 | Very high | 95.8 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | trans | -101.4 | 157.5 | 177 | -58.5 | -179.9 | -178.5 | 179.9 | 0 | 109.7 | V36 S37 W45 G114 | V36-K116 CarbonylContact C-O 3.48Å; V36-K116 WeakPolarHBondContact CA-O 3.37Å; V36-K116 WeakPolarHBondContact CB-O 3.35Å; S37-K116 PolarHBondContact N-O 3.19Å; S37-K116 PolarHBondContact OG-N 3.27Å; W45-K116 HydrophobicContact CH2-CB 4.16Å; W45-K116 HydrophobicContact CZ3-CB 4.42Å; G114-K116 PolarHBondContact O-N 2.95Å | ||
| 117 | R | 97.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.9 | 171.9 | 72 | -172.7 | -177.5 | -165.1 | -7.9 | 109.9 | L34 L35 V36 A70 G71 L104 W107 | L34-R117 HydrophobicContact CD1-CB 4.16Å; L34-R117 HydrophobicContact CD1-CG 4.27Å; L34-R117 HydrophobicContact CD2-CB 4.46Å; L34-R117 HydrophobicContact CG-CB 4.35Å; L35-R117 CarbonylContact O-C 3.55Å; L35-R117 VanDerWaalsContact O-CA 3.24Å; L35-R117 WeakPolarHBondContact O-CA 3.25Å; V36-R117 HydrophobicContact CG1-CB 4.03Å; A70-R117 WeakPolarHBondContact O-CD 3.48Å; A70-R117 PolarHBondContact O-NH1 3.42Å; G71-R117 PolarHBondContact O-NH1 3.37Å; L104-R117 PolarHBondContact O-NH1 3.37Å; L104-R117 PolarHBondContact O-NH2 3.02Å; W107-R117 HydrophobicContact CH2-CB 4.48Å; W107-R117 HydrophobicContact CH2-CG 3.91Å; W107-R117 HydrophobicContact CZ2-CB 4.34Å; W107-R117 HydrophobicContact CZ2-CG 4.23Å |
| 118 | E | 98.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 147.4 | 179.2 | -175.1 | 170.4 | 166.8 | 0 | 0 | 110.6 | L35 W45 F120 | L35-E118 PolarHBondContact N-O 2.97Å; L35-E118 PolarHBondContact O-N 2.78Å; W45-E118 HydrophobicContact CH2-CB 3.5Å; W45-E118 HydrophobicContact CZ2-CB 4.04Å; W45-E118 WeakPolarHBondContact CZ2-OE2 3.37Å; W45-E118 HydrophobicContact CZ3-CB 3.9Å; E118-F120 HydrophobicContact CB-CD2 4.47Å; E118-F120 HydrophobicContact CB-CE2 3.64Å; E118-F120 HydrophobicContact CB-CZ 4Å; E118-F120 HydrophobicContact CG-CE2 3.93Å; E118-F120 HydrophobicContact CG-CZ 3.96Å; E118-F120 VanDerWaalsContact O-CD2 3.27Å; E118-F120 WeakPolarHBondContact O-CD2 3.37Å; E118-F120 WeakPolarHBondContact O-CE2 3.07Å |
| 119 | W | 98.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.7 | 177.3 | -69.6 | 102.8 | 0 | 0 | 0 | 110 | C24 R26 E32 L34 V100 L103 | C24-W119 WeakPolarHBondContact O-CZ3 3.33Å; R26-W119 VanDerWaalsContact CA-CH2 3.49Å; R26-W119 HydrophobicContact CB-CD2 4.44Å; R26-W119 HydrophobicContact CB-CE3 3.98Å; R26-W119 HydrophobicContact CB-CH2 3.79Å; R26-W119 HydrophobicContact CB-CZ2 4.26Å; R26-W119 HydrophobicContact CB-CZ3 3.65Å; R26-W119 HydrophobicContact CG-CH2 4.45Å; R26-W119 HydrophobicContact CG-CZ2 4.46Å; E32-W119 HydrophobicContact CB-CE3 4.33Å; L34-W119 HydrophobicContact CB-CD2 4.26Å; L34-W119 HydrophobicContact CB-CE3 3.82Å; L34-W119 HydrophobicContact CB-CH2 3.95Å; L34-W119 HydrophobicContact CB-CZ2 4.39Å; L34-W119 HydrophobicContact CB-CZ3 3.64Å; L34-W119 HydrophobicContact CD1-CD2 3.72Å; L34-W119 HydrophobicContact CD1-CE3 4.16Å; L34-W119 HydrophobicContact CD1-CG 4Å; L34-W119 HydrophobicContact CD1-CZ2 4.13Å; V100-W119 HydrophobicContact CB-CH2 4.02Å; V100-W119 HydrophobicContact CB-CZ2 4.47Å; V100-W119 HydrophobicContact CG1-CH2 4.47Å; V100-W119 HydrophobicContact CG1-CZ2 4.45Å; V100-W119 HydrophobicContact CG2-CH2 3.77Å; V100-W119 HydrophobicContact CG2-CZ2 4.48Å; L103-W119 HydrophobicContact CD1-CZ2 4.36Å; L103-W119 HydrophobicContact CD2-CZ2 4.36Å |
| 120 | F | 98.4 | Very high | 96 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.3 | 177.9 | -67 | -90 | 0 | 0 | 0 | 109.6 | E32 V33 L35 W45 E118 A125 I128 | E32-F120 CarbonylContact C-O 3.48Å; E32-F120 VanDerWaalsContact CA-O 3.26Å; E32-F120 WeakPolarHBondContact CA-O 3.25Å; V33-F120 PolarHBondContact N-O 2.81Å; V33-F120 PolarHBondContact O-N 3.47Å; L35-F120 HydrophobicContact CB-CD2 3.83Å; L35-F120 HydrophobicContact CB-CE2 3.88Å; L35-F120 HydrophobicContact CD1-CD2 3.75Å; L35-F120 HydrophobicContact CD1-CE2 4.13Å; L35-F120 HydrophobicContact CD1-CG 4.21Å; L35-F120 HydrophobicContact CG-CD2 3.76Å; L35-F120 HydrophobicContact CG-CE2 4.26Å; W45-F120 AromaticContact CD1-CZ 3.99Å; W45-F120 AromaticContact CD2-CE2 3.89Å; W45-F120 HydrophobicContact CD2-CE2 3.89Å; W45-F120 AromaticContact CD2-CZ 3.81Å; W45-F120 HydrophobicContact CD2-CZ 3.81Å; W45-F120 AromaticContact CE2-CZ 3.64Å; W45-F120 HydrophobicContact CE3-CE2 4.04Å; W45-F120 HydrophobicContact CE3-CZ 4.39Å; W45-F120 HydrophobicContact CG-CE2 4.24Å; W45-F120 HydrophobicContact CG-CZ 4.03Å; W45-F120 HydrophobicContact CZ2-CE2 4.48Å; W45-F120 HydrophobicContact CZ2-CZ 4.07Å; W45-F120 HydrophobicContact CZ3-CE2 4.42Å; W45-F120 AromaticContact NE1-CZ 3.73Å; E118-F120 HydrophobicContact CB-CD2 4.47Å; E118-F120 HydrophobicContact CB-CE2 3.64Å; E118-F120 HydrophobicContact CB-CZ 4Å; E118-F120 HydrophobicContact CG-CE2 3.93Å; E118-F120 HydrophobicContact CG-CZ 3.96Å; E118-F120 VanDerWaalsContact O-CD2 3.27Å; E118-F120 WeakPolarHBondContact O-CD2 3.37Å; E118-F120 WeakPolarHBondContact O-CE2 3.07Å; F120-A125 HydrophobicContact CB-CB 3.84Å; F120-I128 HydrophobicContact CD1-CD1 3.81Å; F120-I128 HydrophobicContact CE1-CD1 3.57Å; F120-I128 HydrophobicContact CZ-CD1 4.49Å |
| 121 | K | 98.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 64.5 Ų | 64.5 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 141.9 | 161.4 | -67 | -178.8 | 179.5 | 178.8 | 0 | 108.8 | D31 D123 D124 A125 | D31-K121 WeakPolarHBondContact O-CA 3.49Å; K121-D123 PolarHBondContact O-N 2.83Å; K121-D123 VanDerWaalsContact O-N 3.14Å; K121-D124 PolarHBondContact O-N 2.97Å; K121-A125 PolarHBondContact O-N 3.04Å |
| 122 | V | 97.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.2 | -42.2 | -179.1 | 170 | 0 | 0 | 0 | 0 | 112 | F25 E30 D31 D124 A125 I126 L140 K144 | F25-V122 HydrophobicContact CE1-CG2 3.89Å; E30-V122 WeakPolarHBondContact O-CG2 3.15Å; D31-V122 PolarHBondContact O-N 2.77Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 2.88Å; V122-A125 PolarHBondContact O-N 3.06Å; V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.21Å; V122-I126 PolarHBondContact O-N 3.07Å; V122-L140 HydrophobicContact CG1-CB 4.26Å; V122-L140 HydrophobicContact CG1-CD2 4.18Å; V122-L140 HydrophobicContact CG2-CD2 4.36Å; V122-K144 HydrophobicContact CG1-CG 4.44Å |
| 123 | D | 96.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 63 Ų | 63 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 179.1 | -67.8 | 1.7 | 0 | 0 | 0 | 113.2 | K121 K127 K144 | K121-D123 PolarHBondContact O-N 2.83Å; K121-D123 VanDerWaalsContact O-N 3.14Å; D123-K127 WeakPolarHBondContact O-CG 3.49Å; D123-K127 PolarHBondContact O-N 3.21Å; D123-K144 WeakPolarHBondContact OD1-CE 3.45Å; D123-K144 IonicContact OD1-NZ 2.58Å; D123-K144 PolarHBondContact OD1-NZ 2.66Å |
| 124 | D | 97.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.5 | -35.6 | -178.5 | -62.2 | -33.1 | 0 | 0 | 0 | 111 | K121 V122 I126 K127 I128 | K121-D124 PolarHBondContact O-N 2.97Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 2.88Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.81Å; D124-K127 PolarHBondContact O-N 2.95Å; D124-K127 IonicContact OD1-NZ 2.87Å; D124-K127 PolarHBondContact OD1-NZ 3.07Å; D124-I128 WeakPolarHBondContact O-CG1 3.43Å; D124-I128 PolarHBondContact O-N 3.12Å; D124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V33 L35 F120 K121 V122 I128 L129 L140 | V33-A125 HydrophobicContact CG1-CB 3.6Å; L35-A125 HydrophobicContact CD1-CB 3.97Å; F120-A125 HydrophobicContact CB-CB 3.84Å; K121-A125 PolarHBondContact O-N 3.04Å; V122-A125 PolarHBondContact O-N 3.06Å; A125-I128 PolarHBondContact O-N 3.24Å; A125-L129 VanDerWaalsContact O-CB 3.32Å; A125-L129 WeakPolarHBondContact O-CB 3.06Å; A125-L129 WeakPolarHBondContact O-CD1 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.47Å; A125-L129 PolarHBondContact O-N 3.01Å; A125-L140 HydrophobicContact CB-CD1 3.58Å |
| 126 | I | 97.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.7 | -52.7 | 176 | -71.8 | 164.5 | 0 | 0 | 0 | 110.6 | V122 D124 I128 L129 Q130 A137 L140 E141 K144 | V122-I126 HydrophobicContact CG1-CD1 3.96Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.21Å; V122-I126 PolarHBondContact O-N 3.07Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.81Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 3.02Å; I126-L129 PolarHBondContact O-N 3.42Å; I126-Q130 HydrophobicContact CG2-CG 4.17Å; I126-Q130 VanDerWaalsContact CG2-NE2 3.33Å; I126-Q130 VanDerWaalsContact O-CG 3.27Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 2.97Å; I126-A137 HydrophobicContact CG2-CB 4.46Å; I126-L140 HydrophobicContact CD1-CB 3.91Å; I126-L140 HydrophobicContact CG1-CB 3.48Å; I126-L140 VanDerWaalsContact CG1-CB 3.48Å; I126-L140 HydrophobicContact CG1-CD1 4.01Å; I126-L140 HydrophobicContact CG1-CG 4.41Å; I126-E141 HydrophobicContact CD1-CG 4.18Å; I126-E141 HydrophobicContact CG1-CG 4.43Å; I126-E141 HydrophobicContact CG2-CG 4.24Å; I126-K144 HydrophobicContact CD1-CD 4.13Å |
| 127 | K | 96 | Very high | 95.3 | Very high | 118 Ų | 118 | 55.5 Ų | 55.5 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.4 | -44.6 | -177.9 | -66.4 | 167.4 | -162.5 | 157.5 | 0 | 112.3 | D123 D124 | D123-K127 WeakPolarHBondContact O-CG 3.49Å; D123-K127 PolarHBondContact O-N 3.21Å; D124-K127 PolarHBondContact O-N 2.95Å; D124-K127 IonicContact OD1-NZ 2.87Å; D124-K127 PolarHBondContact OD1-NZ 3.07Å |
| 128 | I | 95.3 | Very high | 95.2 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | -179.3 | -67.6 | 169.2 | 0 | 0 | 0 | 110.8 | W45 F120 D124 A125 I126 | W45-I128 HydrophobicContact CB-CG2 4.08Å; W45-I128 HydrophobicContact CG-CG2 4.35Å; F120-I128 HydrophobicContact CD1-CD1 3.81Å; F120-I128 HydrophobicContact CE1-CD1 3.57Å; F120-I128 HydrophobicContact CZ-CD1 4.49Å; D124-I128 WeakPolarHBondContact O-CG1 3.43Å; D124-I128 PolarHBondContact O-N 3.12Å; D124-I128 VanDerWaalsContact O-N 3.08Å; A125-I128 PolarHBondContact O-N 3.24Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 3.02Å |
| 129 | L | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -36.9 | -178.3 | -70.6 | 168.3 | 0 | 0 | 0 | 112.4 | L35 W45 V47 A125 I126 C131 H132 K133 H136 A137 L140 | L35-L129 HydrophobicContact CD1-CD1 4.19Å; L35-L129 HydrophobicContact CD1-CD2 4.37Å; L35-L129 HydrophobicContact CD1-CG 4.2Å; L35-L129 HydrophobicContact CD2-CD1 4.16Å; W45-L129 VanDerWaalsContact O-CD2 3.28Å; W45-L129 WeakPolarHBondContact O-CD2 3.22Å; V47-L129 HydrophobicContact CG2-CD1 4.14Å; A125-L129 VanDerWaalsContact O-CB 3.32Å; A125-L129 WeakPolarHBondContact O-CB 3.06Å; A125-L129 WeakPolarHBondContact O-CD1 3.4Å; A125-L129 WeakPolarHBondContact O-CG 3.47Å; A125-L129 PolarHBondContact O-N 3.01Å; I126-L129 PolarHBondContact O-N 3.42Å; L129-C131 PolarHBondContact O-N 3.12Å; L129-C131 VanDerWaalsContact O-N 3.09Å; L129-H132 PolarHBondContact O-N 2.88Å; L129-H132 VanDerWaalsContact O-N 3.13Å; L129-K133 HydrophobicContact CD2-CB 4.24Å; L129-K133 CarbonylContact O-C 3.47Å; L129-K133 WeakPolarHBondContact O-CA 3.41Å; L129-K133 PolarHBondContact O-N 2.97Å; L129-H136 HydrophobicContact CB-CB 4.49Å; L129-H136 HydrophobicContact CD1-CB 4.07Å; L129-H136 HydrophobicContact CD2-CB 3.94Å; L129-H136 HydrophobicContact CG-CB 4.4Å; L129-A137 HydrophobicContact CB-CB 3.93Å; L129-L140 HydrophobicContact CD1-CD1 3.74Å |
| 130 | Q | 93.4 | Very high | 95 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -52.5 | -35.9 | -178.7 | -82.2 | 172.5 | -13.3 | 0 | 0 | 113 | I126 H132 A137 E141 | I126-Q130 HydrophobicContact CG2-CG 4.17Å; I126-Q130 VanDerWaalsContact CG2-NE2 3.33Å; I126-Q130 VanDerWaalsContact O-CG 3.27Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 2.97Å; Q130-H132 PolarHBondContact O-N 3.04Å; Q130-A137 HydrophobicContact CB-CB 4.5Å; Q130-A137 HydrophobicContact CG-CB 3.65Å; Q130-E141 PolarHBondContact NE2-OE1 3.37Å |
| 131 | C | 87.8 | Confident | 94.9 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -30.8 | -176.6 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | L129 | L129-C131 PolarHBondContact O-N 3.12Å; L129-C131 VanDerWaalsContact O-N 3.09Å |
| 132 | H | 88.1 | Confident | 94.7 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | -13.7 | -167.9 | -60.6 | -44.2 | 0 | 0 | 0 | 115.1 | L129 Q130 | L129-H132 PolarHBondContact O-N 2.88Å; L129-H132 VanDerWaalsContact O-N 3.13Å; Q130-H132 PolarHBondContact O-N 3.04Å |
| 133 | K | 91.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | trans | -147.8 | 65.1 | 179 | -68.4 | -68 | 167.8 | -78.9 | 0 | 109.6 | I46 L129 V135 H136 A137 | I46-K133 HydrophobicContact CG2-CD 4.38Å; I46-K133 HydrophobicContact CG2-CG 3.86Å; L129-K133 HydrophobicContact CD2-CB 4.24Å; L129-K133 CarbonylContact O-C 3.47Å; L129-K133 WeakPolarHBondContact O-CA 3.41Å; L129-K133 PolarHBondContact O-N 2.97Å; K133-V135 VanDerWaalsContact C-N 3.26Å; K133-V135 PolarHBondContact O-N 3.04Å; K133-H136 HydrophobicContact CB-CB 3.9Å; K133-H136 WeakPolarHBondContact O-CA 3.36Å; K133-H136 WeakPolarHBondContact O-CB 3.19Å; K133-H136 PolarHBondContact O-N 2.93Å; K133-A137 PolarHBondContact O-N 2.97Å | ||
| 134 | P | 92.3 | Very high | 94 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.7 | -39.8 | -177.6 | 21.8 | -33.3 | 0 | 0 | 0 | 112.7 | H136 A137 E138 | P134-H136 PolarHBondContact O-N 2.92Å; P134-A137 WeakPolarHBondContact O-CA 3.25Å; P134-A137 VanDerWaalsContact O-CB 3.3Å; P134-A137 WeakPolarHBondContact O-CB 3.19Å; P134-A137 PolarHBondContact O-N 3.28Å; P134-E138 PolarHBondContact O-N 2.97Å |
| 135 | V | 93.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -34.3 | 175.1 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | F83 Q85 K133 E138 Y139 | F83-V135 HydrophobicContact CB-CG1 4.47Å; Q85-V135 HydrophobicContact CB-CG2 4.42Å; Q85-V135 HydrophobicContact CG-CG2 4.5Å; K133-V135 VanDerWaalsContact C-N 3.26Å; K133-V135 PolarHBondContact O-N 3.04Å; V135-E138 WeakPolarHBondContact O-CB 3.34Å; V135-E138 PolarHBondContact O-N 2.94Å; V135-Y139 HydrophobicContact CG1-CE1 3.69Å; V135-Y139 WeakPolarHBondContact O-CD1 3.41Å; V135-Y139 WeakPolarHBondContact O-CE1 3.16Å; V135-Y139 PolarHBondContact O-N 3.44Å |
| 136 | H | 95.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 6% | 0.06 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -31.4 | 175.4 | -68.4 | -163.7 | 0 | 0 | 0 | 112.2 | V47 L129 K133 P134 E138 Y139 | V47-H136 HydrophobicContact CG2-CB 3.99Å; V47-H136 PolarHBondContact N-ND1 3.12Å; L129-H136 HydrophobicContact CB-CB 4.49Å; L129-H136 HydrophobicContact CD1-CB 4.07Å; L129-H136 HydrophobicContact CD2-CB 3.94Å; L129-H136 HydrophobicContact CG-CB 4.4Å; K133-H136 HydrophobicContact CB-CB 3.9Å; K133-H136 WeakPolarHBondContact O-CA 3.36Å; K133-H136 WeakPolarHBondContact O-CB 3.19Å; K133-H136 PolarHBondContact O-N 2.93Å; P134-H136 PolarHBondContact O-N 2.92Å; H136-E138 VanDerWaalsContact C-N 3.35Å; H136-Y139 HydrophobicContact CB-CD2 4.44Å; H136-Y139 HydrophobicContact CB-CE2 4.38Å; H136-Y139 AromaticContact CD2-CE2 3.7Å; H136-Y139 AromaticContact CD2-CZ 3.88Å; H136-Y139 WeakPolarHBondContact O-CB 3.38Å; H136-Y139 PolarHBondContact O-N 2.98Å |
| 137 | A | 96.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | I126 L129 Q130 K133 P134 Y139 L140 E141 | I126-A137 HydrophobicContact CG2-CB 4.46Å; L129-A137 HydrophobicContact CB-CB 3.93Å; Q130-A137 HydrophobicContact CB-CB 4.5Å; Q130-A137 HydrophobicContact CG-CB 3.65Å; K133-A137 PolarHBondContact O-N 2.97Å; P134-A137 WeakPolarHBondContact O-CA 3.25Å; P134-A137 VanDerWaalsContact O-CB 3.3Å; P134-A137 WeakPolarHBondContact O-CB 3.19Å; P134-A137 PolarHBondContact O-N 3.28Å; A137-Y139 PolarHBondContact O-N 3.37Å; A137-Y139 VanDerWaalsContact O-N 3.16Å; A137-L140 PolarHBondContact O-N 2.75Å; A137-E141 WeakPolarHBondContact O-CG 3.2Å; A137-E141 PolarHBondContact O-N 3.33Å |
| 138 | E | 95.7 | Very high | 87 | Confident | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.6 | -31.1 | 175 | -67.6 | 168.3 | -153.9 | 0 | 0 | 112.4 | F83 P134 V135 H136 E141 K142 | F83-E138 HydrophobicContact CE1-CB 4.4Å; P134-E138 PolarHBondContact O-N 2.97Å; V135-E138 WeakPolarHBondContact O-CB 3.34Å; V135-E138 PolarHBondContact O-N 2.94Å; H136-E138 VanDerWaalsContact C-N 3.35Å; E138-E141 PolarHBondContact O-N 3.08Å; E138-K142 WeakPolarHBondContact O-CB 3.19Å; E138-K142 PolarHBondContact O-N 3.34Å |
| 139 | Y | 96.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -49.9 | 174.6 | -54.5 | -12 | 0 | 0 | 0 | 110.6 | L23 V47 L80 F83 V95 V135 H136 A137 K142 L143 | L23-Y139 HydrophobicContact CD2-CD2 4.4Å; V47-Y139 HydrophobicContact CB-CD2 4.39Å; V47-Y139 HydrophobicContact CB-CE2 4.5Å; V47-Y139 HydrophobicContact CG1-CD2 4.27Å; V47-Y139 HydrophobicContact CG1-CE2 4.47Å; V47-Y139 HydrophobicContact CG2-CD2 4.18Å; L80-Y139 VanDerWaalsContact CD2-O 3.27Å; L80-Y139 WeakPolarHBondContact CD2-O 3.44Å; F83-Y139 HydrophobicContact CB-CD1 4.08Å; F83-Y139 HydrophobicContact CB-CE1 3.4Å; F83-Y139 VanDerWaalsContact CB-CE1 3.4Å; F83-Y139 AromaticContact CD1-CD1 3.46Å; F83-Y139 HydrophobicContact CD1-CD1 3.46Å; F83-Y139 VanDerWaalsContact CD1-CD1 3.46Å; F83-Y139 AromaticContact CD1-CE1 3.69Å; F83-Y139 HydrophobicContact CD1-CE1 3.69Å; F83-Y139 AromaticContact CD2-CD1 3.63Å; F83-Y139 HydrophobicContact CD2-CD1 3.63Å; F83-Y139 AromaticContact CD2-CE1 3.72Å; F83-Y139 HydrophobicContact CD2-CE1 3.72Å; F83-Y139 AromaticContact CE1-CD1 3.61Å; F83-Y139 HydrophobicContact CE1-CD1 3.61Å; F83-Y139 HydrophobicContact CE1-CE1 4.31Å; F83-Y139 AromaticContact CE2-CD1 3.77Å; F83-Y139 HydrophobicContact CE2-CD1 3.77Å; F83-Y139 HydrophobicContact CE2-CE1 4.33Å; F83-Y139 HydrophobicContact CE2-CG 4.42Å; F83-Y139 AromaticContact CG-CD1 3.45Å; F83-Y139 HydrophobicContact CG-CD1 3.45Å; F83-Y139 VanDerWaalsContact CG-CD1 3.45Å; F83-Y139 AromaticContact CG-CE1 3.33Å; F83-Y139 HydrophobicContact CG-CE1 3.33Å; F83-Y139 AromaticContact CZ-CD1 3.73Å; F83-Y139 HydrophobicContact CZ-CD1 3.73Å; F83-Y139 HydrophobicContact CZ-CG 4.4Å; V95-Y139 HydrophobicContact CG1-CD2 4.09Å; V95-Y139 HydrophobicContact CG1-CG 4.18Å; V95-Y139 HydrophobicContact CG2-CD1 3.96Å; V95-Y139 HydrophobicContact CG2-CD2 3.86Å; V95-Y139 HydrophobicContact CG2-CE1 3.83Å; V95-Y139 HydrophobicContact CG2-CE2 3.72Å; V95-Y139 HydrophobicContact CG2-CG 3.99Å; V135-Y139 HydrophobicContact CG1-CE1 3.69Å; V135-Y139 WeakPolarHBondContact O-CD1 3.41Å; V135-Y139 WeakPolarHBondContact O-CE1 3.16Å; V135-Y139 PolarHBondContact O-N 3.44Å; H136-Y139 HydrophobicContact CB-CD2 4.44Å; H136-Y139 HydrophobicContact CB-CE2 4.38Å; H136-Y139 AromaticContact CD2-CE2 3.7Å; H136-Y139 AromaticContact CD2-CZ 3.88Å; H136-Y139 WeakPolarHBondContact O-CB 3.38Å; H136-Y139 PolarHBondContact O-N 2.98Å; A137-Y139 PolarHBondContact O-N 3.37Å; A137-Y139 VanDerWaalsContact O-N 3.16Å; Y139-K142 PolarHBondContact O-N 2.94Å; Y139-L143 PolarHBondContact O-N 2.9Å; Y139-L143 VanDerWaalsContact O-N 3.12Å |
| 140 | L | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.6 | -31.6 | -178.5 | -68 | 167.8 | 0 | 0 | 0 | 112.2 | L23 V33 V122 A125 I126 L129 A137 L143 K144 | L23-L140 HydrophobicContact CD1-CD2 3.96Å; L23-L140 HydrophobicContact CD2-CD2 3.98Å; L23-L140 HydrophobicContact CD2-CG 4.26Å; V33-L140 HydrophobicContact CB-CD2 4.34Å; V33-L140 HydrophobicContact CG1-CD1 4.33Å; V33-L140 HydrophobicContact CG1-CD2 4.06Å; V33-L140 HydrophobicContact CG2-CD2 4.31Å; V122-L140 HydrophobicContact CG1-CB 4.26Å; V122-L140 HydrophobicContact CG1-CD2 4.18Å; V122-L140 HydrophobicContact CG2-CD2 4.36Å; A125-L140 HydrophobicContact CB-CD1 3.58Å; I126-L140 HydrophobicContact CD1-CB 3.91Å; I126-L140 HydrophobicContact CG1-CB 3.48Å; I126-L140 VanDerWaalsContact CG1-CB 3.48Å; I126-L140 HydrophobicContact CG1-CD1 4.01Å; I126-L140 HydrophobicContact CG1-CG 4.41Å; L129-L140 HydrophobicContact CD1-CD1 3.74Å; A137-L140 PolarHBondContact O-N 2.75Å; L140-L143 WeakPolarHBondContact O-CB 3.39Å; L140-L143 PolarHBondContact O-N 3.46Å; L140-K144 PolarHBondContact O-N 3.2Å |
| 141 | E | 95.2 | Very high | 79.1 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 173 | -70.1 | 173.1 | -177.7 | 0 | 0 | 111.1 | I126 Q130 A137 E138 L143 K144 L145 | I126-E141 HydrophobicContact CD1-CG 4.18Å; I126-E141 HydrophobicContact CG1-CG 4.43Å; I126-E141 HydrophobicContact CG2-CG 4.24Å; Q130-E141 PolarHBondContact NE2-OE1 3.37Å; A137-E141 WeakPolarHBondContact O-CG 3.2Å; A137-E141 PolarHBondContact O-N 3.33Å; E138-E141 PolarHBondContact O-N 3.08Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 2.52Å; E141-K144 PolarHBondContact O-N 2.96Å; E141-L145 PolarHBondContact O-N 3.28Å; E141-L145 VanDerWaalsContact O-N 3.17Å |
| 142 | K | 94 | Very high | 76.7 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 174.6 | -171.5 | 177.7 | -173.1 | -174.1 | 0 | 112.2 | L80 F83 E138 Y139 K144 L145 G146 | L80-K142 HydrophobicContact CD1-CG 4.49Å; L80-K142 HydrophobicContact CG-CD 4.4Å; L80-K142 WeakPolarHBondContact O-CE 3.49Å; L80-K142 PolarHBondContact O-NZ 2.92Å; F83-K142 HydrophobicContact CE1-CB 4.25Å; F83-K142 HydrophobicContact CE1-CD 3.9Å; F83-K142 HydrophobicContact CE2-CD 4.31Å; F83-K142 HydrophobicContact CZ-CB 4.03Å; F83-K142 HydrophobicContact CZ-CD 3.44Å; F83-K142 VanDerWaalsContact CZ-CD 3.44Å; F83-K142 HydrophobicContact CZ-CG 4.34Å; E138-K142 WeakPolarHBondContact O-CB 3.19Å; E138-K142 PolarHBondContact O-N 3.34Å; Y139-K142 PolarHBondContact O-N 2.94Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 PolarHBondContact O-N 3.49Å; K142-L145 PolarHBondContact O-N 2.89Å; K142-G146 PolarHBondContact O-N 3.43Å; K142-G146 VanDerWaalsContact O-N 3.13Å |
| 143 | L | 91.6 | Very high | 74.4 | Confident | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.052 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55 | -48.2 | 174.4 | -170.8 | 86.8 | 0 | 0 | 0 | 111.4 | L23 F25 E30 L80 V97 Y139 L140 E141 L145 G146 G147 | L23-L143 HydrophobicContact CD1-CD1 4.3Å; F25-L143 HydrophobicContact CE1-CD2 3.89Å; F25-L143 HydrophobicContact CE2-CD1 4.21Å; F25-L143 HydrophobicContact CE2-CD2 4.28Å; F25-L143 HydrophobicContact CZ-CD1 4.06Å; F25-L143 HydrophobicContact CZ-CD2 3.37Å; F25-L143 HydrophobicContact CZ-CG 4.34Å; E30-L143 HydrophobicContact CB-CD2 4.38Å; E30-L143 WeakPolarHBondContact OE2-CD1 3.26Å; L80-L143 HydrophobicContact CD1-CD1 4.13Å; L80-L143 HydrophobicContact CD2-CB 4.47Å; L80-L143 HydrophobicContact CD2-CD1 4.4Å; V97-L143 HydrophobicContact CG2-CD1 4.15Å; Y139-L143 PolarHBondContact O-N 2.9Å; Y139-L143 VanDerWaalsContact O-N 3.12Å; L140-L143 WeakPolarHBondContact O-CB 3.39Å; L140-L143 PolarHBondContact O-N 3.46Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 2.52Å; L143-L145 PolarHBondContact O-N 3.5Å; L143-G146 PolarHBondContact O-N 3.07Å; L143-G147 PolarHBondContact O-N 2.72Å |
| 144 | K | 88.2 | Confident | 72 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -179.8 | -72 | -174.8 | 174.5 | -175.5 | 0 | 113.1 | V122 D123 I126 L140 E141 K142 G146 G147 | V122-K144 HydrophobicContact CG1-CG 4.44Å; D123-K144 WeakPolarHBondContact OD1-CE 3.45Å; D123-K144 IonicContact OD1-NZ 2.58Å; D123-K144 PolarHBondContact OD1-NZ 2.66Å; I126-K144 HydrophobicContact CD1-CD 4.13Å; L140-K144 PolarHBondContact O-N 3.2Å; E141-K144 PolarHBondContact O-N 2.96Å; K142-K144 VanDerWaalsContact C-N 3.32Å; K142-K144 PolarHBondContact O-N 3.49Å; K144-G146 VanDerWaalsContact C-N 3.28Å; K144-G146 PolarHBondContact O-N 3.08Å; K144-G147 PolarHBondContact O-N 2.78Å |
| 145 | L | 81.8 | Confident | 69.6 | Low | 150 Ų | 150 | 78.8 Ų | 78.8 | 79% | 0.785 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.5 | -32.2 | 179.4 | -68.4 | 171.8 | 0 | 0 | 0 | 112.1 | E141 K142 L143 G147 | E141-L145 PolarHBondContact O-N 3.28Å; E141-L145 VanDerWaalsContact O-N 3.17Å; K142-L145 PolarHBondContact O-N 2.89Å; L143-L145 PolarHBondContact O-N 3.5Å; L145-G147 VanDerWaalsContact C-N 3.32Å |
| 146 | G | 67.8 | Low | 67.3 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 72% | 0.722 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -8.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | K142 L143 K144 | K142-G146 PolarHBondContact O-N 3.43Å; K142-G146 VanDerWaalsContact O-N 3.13Å; L143-G146 PolarHBondContact O-N 3.07Å; K144-G146 VanDerWaalsContact C-N 3.28Å; K144-G146 PolarHBondContact O-N 3.08Å |
| 147 | G | 54.3 | Low | 64.8 | Low | 58 Ų | 58 | 87.5 Ų | 87.5 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L143 K144 L145 P149 | L143-G147 PolarHBondContact O-N 2.72Å; K144-G147 PolarHBondContact O-N 2.78Å; L145-G147 VanDerWaalsContact C-N 3.32Å; G147-P149 VanDerWaalsContact O-CD 3.26Å; G147-P149 WeakPolarHBondContact O-CD 3.24Å |
| 148 | S | 36.7 | Very low | 62.5 | Low | 91 Ų | 91 | 93 Ų | 93 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -86.5 | 112.8 | 174.7 | -153.7 | 0 | 0 | 0 | 0 | 109.9 | T150 | S148-T150 PolarHBondContact O-N 3.44Å; S148-T150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | P | 40.2 | Very low | 60.5 | Low | 116 Ų | 116 | 94.1 Ų | 94.1 | 75% | 0.753 | 60% | 0.597 | S | S | * | * | trans | -68.1 | 109.6 | 164.6 | 28.6 | -28.7 | 0 | 0 | 0 | 106.4 | G147 N151 | G147-P149 VanDerWaalsContact O-CD 3.26Å; G147-P149 WeakPolarHBondContact O-CD 3.24Å; P149-N151 PolarHBondContact O-N 3.2Å | ||
| 150 | T | 38 | Very low | 58.9 | Low | 135 Ų | 135 | 99.7 Ų | 99.7 | 83% | 0.828 | 63% | 0.633 | S | S | * | * | trans | -61 | 105.7 | 168.1 | 38.6 | 0 | 0 | 0 | 0 | 107.7 | S148 G152 | S148-T150 PolarHBondContact O-N 3.44Å; S148-T150 VanDerWaalsContact O-N 3.1Å; T150-G152 PolarHBondContact O-N 3.04Å | ||
| 151 | N | 40.2 | Very low | 57.1 | Low | 168 Ų | 168 | 107.4 Ų | 107.4 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | trans | -70.6 | 79 | 169.2 | -136.5 | 11.2 | 0 | 0 | 0 | 107.2 | P149 N153 | P149-N151 PolarHBondContact O-N 3.2Å; N151-N153 VanDerWaalsContact C-N 3.28Å; N151-N153 PolarHBondContact O-N 3.37Å | ||
| 152 | G | 36.9 | Very low | 54.9 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | trans | -76.1 | 81 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T150 S154 | T150-G152 PolarHBondContact O-N 3.04Å; G152-S154 PolarHBondContact O-N 2.88Å | ||
| 153 | N | 40.7 | Very low | 52.6 | Low | 136 Ų | 136 | 112.9 Ų | 112.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 84.5 | 165 | -164 | 34.8 | 0 | 0 | 0 | 108.3 | N151 M155 | N151-N153 VanDerWaalsContact C-N 3.28Å; N151-N153 PolarHBondContact O-N 3.37Å; N153-M155 PolarHBondContact O-N 3.21Å | ||
| 154 | S | 41.8 | Very low | 51.5 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -74.3 | 81.9 | 166.1 | -66 | 0 | 0 | 0 | 0 | 108.1 | G152 A156 | G152-S154 PolarHBondContact O-N 2.88Å; S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 2.75Å | ||
| 155 | M | 41.4 | Very low | 49.6 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 101.1 | 157.5 | -90.2 | -177.4 | 137.6 | 0 | 0 | 107.3 | N153 | N153-M155 PolarHBondContact O-N 3.21Š| ||
| 156 | A | 44.4 | Very low | 48 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 130.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S154 S158 | S154-A156 VanDerWaalsContact C-N 3.34Å; S154-A156 PolarHBondContact O-N 2.75Å; A156-S158 PolarHBondContact O-N 3.16Å |
| 157 | P | 44.4 | Very low | 46.9 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 125.4 | 168.4 | 26.6 | -29.1 | 0 | 0 | 0 | 109.1 | S159 | P157-S159 PolarHBondContact O-N 3.38Š|
| 158 | S | 47.8 | Very low | 46.4 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.5 | 171.8 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | A156 | A156-S158 PolarHBondContact O-N 3.16Š|
| 159 | S | 53 | Low | 47 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.6 | 168.3 | -34.7 | 0 | 0 | 0 | 0 | 110.4 | P157 | P157-S159 PolarHBondContact O-N 3.38Š|
| 160 | P | 61.7 | Low | 47.5 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138 | 169.8 | 30.9 | -30 | 0 | 0 | 0 | 110.9 | ||
| 161 | D | 58 | Low | 48.2 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -48 | 144.7 | 172.6 | -71.6 | -53.9 | 0 | 0 | 0 | 112.9 | ||
| 162 | S | 50.8 | Low | 48.8 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -139.5 | 99 | 161.5 | -64.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 163 | D | 44.8 | Very low | 49.8 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | trans | -128.6 | 154.5 | 151.8 | -98.4 | -19.7 | 0 | 0 | 0 | 105.6 | ||||
| 164 | P | 68.3 | Low | 50.6 | Low | 193 Ų | 193 | 133.3 Ų | 133.3 | 100% | 1.253 | 84% | 0.844 | S | S | * | * | cis | -123.7 | 0 | 28.1 | 39.9 | -26.3 | 0 | 0 | 0 | 116.2 |
Retrieved 164 of 164 residues in 366.9 ms
(Link to these results)