| 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 | 65 | Low | 86.3 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | 0 | 130.5 | 0 | -172.1 | -178.9 | -68.5 | 0 | 0 | 105.7 | L259 F260 F297 | M1-L259 HydrophobicContact CE-CD1 4.14Å; M1-L259 HydrophobicContact SD-CD1 4.2Å; M1-F260 HydrophobicContact CB-CZ 3.91Å; M1-F260 HydrophobicContact CG-CE2 4.15Å; M1-F260 HydrophobicContact CG-CZ 3.9Å; M1-F260 HydrophobicContact SD-CE2 3.58Å; M1-F260 VanDerWaalsContact SD-CE2 3.58Å; M1-F260 HydrophobicContact SD-CZ 3.92Å; M1-F297 HydrophobicContact SD-CD1 3.61Å; M1-F297 HydrophobicContact SD-CE1 4.1Å | |||
| 2 | E | 76.5 | Confident | 86.7 | Confident | 118 Ų | 118 | 76.4 Ų | 76.4 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 138.4 | 177.9 | -77.5 | 170 | -159.6 | 0 | 0 | 109.7 | N296 R299 | E2-N296 HydrophobicContact CB-CB 4.21Å; E2-N296 WeakPolarHBondContact CB-ND2 3.5Å; E2-N296 PolarHBondContact O-ND2 3.09Å; E2-N296 VanDerWaalsContact O-ND2 3.15Å; E2-R299 IonicContact OE1-NH1 3.74Å |
| 3 | D | 82.2 | Confident | 87.3 | Confident | 115 Ų | 115 | 71.3 Ų | 71.3 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -59 | 140 | 179 | -63.2 | -13.2 | 0 | 0 | 0 | 110.5 | S5 F260 N296 | D3-S5 PolarHBondContact O-N 3.47Å; D3-F260 WeakPolarHBondContact OD1-CE1 3.3Å; D3-N296 PolarHBondContact O-ND2 3.38Å |
| 4 | P | 88.2 | Confident | 87.8 | Confident | 9 Ų | 9 | 77.4 Ų | 77.4 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 135.9 | 172.4 | 27.5 | -33.4 | 0 | 0 | 0 | 109.8 | I250 L262 F281 R294 | P4-I250 HydrophobicContact CG-CD1 4.13Å; P4-L262 HydrophobicContact CB-CD1 4.41Å; P4-L262 HydrophobicContact CG-CD1 3.57Å; P4-L262 HydrophobicContact CG-CD2 3.46Å; P4-L262 VanDerWaalsContact CG-CD2 3.46Å; P4-L262 HydrophobicContact CG-CG 4.12Å; P4-F281 HydrophobicContact CB-CE1 3.79Å; P4-F281 HydrophobicContact CB-CZ 4.01Å; P4-F281 HydrophobicContact CG-CZ 4.38Å; P4-R294 VanDerWaalsContact CA-O 3.23Å; P4-R294 WeakPolarHBondContact CA-O 3.3Å; P4-R294 VanDerWaalsContact CB-O 3.25Å; P4-R294 WeakPolarHBondContact CB-O 3.48Å |
| 5 | S | 90.9 | Very high | 88.4 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.7 | -172.7 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | D3 Q7 W293 R294 | D3-S5 PolarHBondContact O-N 3.47Å; S5-Q7 PolarHBondContact O-N 3.32Å; S5-W293 WeakPolarHBondContact O-CA 3.41Å; S5-R294 PolarHBondContact N-O 3.35Å; S5-R294 PolarHBondContact O-N 2.72Å; S5-R294 WeakPolarHBondContact OG-CB 3.45Å |
| 6 | L | 91.2 | Very high | 88.9 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.7 | 170.6 | -178.1 | 66.8 | 0 | 0 | 0 | 110.3 | F291 W293 | L6-F291 HydrophobicContact CD1-CB 3.51Å; L6-F291 HydrophobicContact CD1-CD1 4.16Å; L6-F291 HydrophobicContact CD1-CD2 4.27Å; L6-F291 HydrophobicContact CD1-CG 3.73Å; L6-W293 HydrophobicContact CB-CD2 4.49Å; L6-W293 HydrophobicContact CB-CE3 3.94Å; L6-W293 HydrophobicContact CB-CH2 4.43Å; L6-W293 HydrophobicContact CB-CZ3 3.91Å; L6-W293 HydrophobicContact CD1-CD2 4.11Å; L6-W293 HydrophobicContact CD1-CE3 4.37Å; L6-W293 HydrophobicContact CD1-CH2 4.49Å; L6-W293 HydrophobicContact CD1-CZ2 4.25Å |
| 7 | Q | 90.1 | Very high | 89.4 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -49.5 | 179.5 | -70.5 | -173.7 | -8.9 | 0 | 0 | 113 | S5 H280 L292 R294 | S5-Q7 PolarHBondContact O-N 3.32Å; Q7-H280 PolarHBondContact NE2-NE2 3.39Å; Q7-H280 VanDerWaalsContact NE2-NE2 3.14Å; Q7-H280 PolarHBondContact OE1-CD2 3.27Å; Q7-H280 PolarHBondContact OE1-NE2 2.89Å; Q7-L292 PolarHBondContact N-O 3.06Å; Q7-R294 HydrophobicContact CG-CB 3.99Å; Q7-R294 VanDerWaalsContact NE2-CB 3.33Å; Q7-R294 VanDerWaalsContact NE2-CG 3.35Å |
| 8 | I | 91.2 | Very high | 89.9 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.1 | -172.7 | -51.9 | 179.8 | 0 | 0 | 0 | 108.8 | F10 I43 L292 | I8-F10 HydrophobicContact CB-CE2 4.32Å; I8-F10 HydrophobicContact CB-CZ 4.14Å; I8-F10 HydrophobicContact CD1-CZ 4.24Å; I8-F10 HydrophobicContact CG2-CD1 3.93Å; I8-F10 HydrophobicContact CG2-CD2 4.36Å; I8-F10 HydrophobicContact CG2-CE1 3.55Å; I8-F10 HydrophobicContact CG2-CE2 4.02Å; I8-F10 HydrophobicContact CG2-CG 4.33Å; I8-F10 HydrophobicContact CG2-CZ 3.6Å; I8-I43 HydrophobicContact CD1-CG2 4.37Å; I8-I43 WeakPolarHBondContact CD1-O 3.34Å; I8-L292 HydrophobicContact CB-CB 4.07Å; I8-L292 HydrophobicContact CB-CD2 4.35Å; I8-L292 HydrophobicContact CD1-CD2 3.85Å; I8-L292 HydrophobicContact CG1-CD2 4.14Å; I8-L292 PolarHBondContact N-O 2.95Å; I8-L292 PolarHBondContact O-N 2.9Å |
| 9 | H | 90.5 | Very high | 90.3 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.9 | 166.2 | 67.4 | -84.2 | 0 | 0 | 0 | 108.9 | F291 | H9-F291 HydrophobicContact CB-CD1 3.75Å; H9-F291 HydrophobicContact CB-CE1 3.77Å |
| 10 | F | 91.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.6 | 176.3 | -56.2 | -74.8 | 0 | 0 | 0 | 109.8 | I8 L29 W41 V290 L292 | I8-F10 HydrophobicContact CB-CE2 4.32Å; I8-F10 HydrophobicContact CB-CZ 4.14Å; I8-F10 HydrophobicContact CD1-CZ 4.24Å; I8-F10 HydrophobicContact CG2-CD1 3.93Å; I8-F10 HydrophobicContact CG2-CD2 4.36Å; I8-F10 HydrophobicContact CG2-CE1 3.55Å; I8-F10 HydrophobicContact CG2-CE2 4.02Å; I8-F10 HydrophobicContact CG2-CG 4.33Å; I8-F10 HydrophobicContact CG2-CZ 3.6Å; F10-L29 HydrophobicContact CD2-CD2 4.16Å; F10-L29 HydrophobicContact CE2-CD2 3.84Å; F10-W41 HydrophobicContact CB-CD2 3.9Å; F10-W41 HydrophobicContact CB-CE3 3.72Å; F10-W41 HydrophobicContact CB-CH2 4.07Å; F10-W41 HydrophobicContact CB-CZ2 4.22Å; F10-W41 HydrophobicContact CB-CZ3 3.82Å; F10-W41 HydrophobicContact CD1-CB 4.16Å; F10-W41 AromaticContact CD1-CD2 3.89Å; F10-W41 HydrophobicContact CD1-CD2 3.89Å; F10-W41 AromaticContact CD1-CE3 3.48Å; F10-W41 HydrophobicContact CD1-CE3 3.48Å; F10-W41 VanDerWaalsContact CD1-CE3 3.48Å; F10-W41 HydrophobicContact CD1-CG 4.17Å; F10-W41 HydrophobicContact CD1-CZ3 4.21Å; F10-W41 HydrophobicContact CD2-CG 4.48Å; F10-W41 HydrophobicContact CE1-CB 3.95Å; F10-W41 HydrophobicContact CE1-CE3 4.31Å; F10-W41 HydrophobicContact CE1-CG 4.44Å; F10-W41 HydrophobicContact CE2-CB 4.5Å; F10-W41 AromaticContact CG-CD2 3.89Å; F10-W41 HydrophobicContact CG-CD2 3.89Å; F10-W41 AromaticContact CG-CE3 3.81Å; F10-W41 HydrophobicContact CG-CE3 3.81Å; F10-W41 HydrophobicContact CG-CG 4.19Å; F10-W41 HydrophobicContact CG-CZ3 4.39Å; F10-W41 HydrophobicContact CZ-CB 4.13Å; F10-V290 HydrophobicContact CB-CB 4.16Å; F10-V290 HydrophobicContact CD2-CB 4.2Å; F10-V290 HydrophobicContact CD2-CG1 4.15Å; F10-V290 PolarHBondContact N-O 3.25Å; F10-V290 PolarHBondContact O-N 3.43Å; F10-V290 VanDerWaalsContact O-N 3.14Å; F10-L292 HydrophobicContact CE2-CB 4.06Å |
| 11 | K | 91.7 | Very high | 91 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.8 | 175.9 | -72.1 | -179 | 176.6 | -177.9 | 0 | 109 | Q289 | K11-Q289 HydrophobicContact CG-CG 4.02Å |
| 12 | G | 90.8 | Very high | 92.5 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | trans | 170.6 | -24.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M39 | G12-M39 VanDerWaalsContact C-CE 3.47Å; G12-M39 WeakPolarHBondContact O-CE 3.3Å | ||
| 13 | H | 94.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | trans | -65.1 | 155.8 | 167.3 | -78.9 | -65.5 | 0 | 0 | 0 | 111.1 | S31 S33 D35 | H13-S31 PolarHBondContact CD2-OG 3.4Å; H13-S31 PolarHBondContact NE2-OG 3.16Å; H13-S33 WeakPolarHBondContact ND1-CB 3.46Å; H13-D35 WeakPolarHBondContact CA-OD2 3.43Å; H13-D35 IonicContact CE1-OD1 2.73Å; H13-D35 IonicContact CG-OD2 3.42Å; H13-D35 IonicContact ND1-OD1 2.84Å; H13-D35 PolarHBondContact ND1-OD1 3.21Å; H13-D35 IonicContact ND1-OD2 3.74Å; H13-D35 PolarHBondContact ND1-OD2 3.41Å | ||
| 14 | K | 95.1 | Very high | 93.9 | Very high | 157 Ų | 157 | 44.6 Ų | 44.6 | 68% | 0.683 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -110.9 | 5.7 | -179.2 | -61.8 | -174.5 | 175.5 | -172.6 | 0 | 113.6 | D35 | K14-D35 HydrophobicContact CB-CB 4.27Å; K14-D35 PolarHBondContact N-OD2 3Å; K14-D35 VanDerWaalsContact N-OD2 3.14Å |
| 15 | D | 96.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -159.8 | 171.5 | -178.1 | -155.4 | -26.2 | 0 | 0 | 0 | 108.2 | I17 S33 M34 D35 | D15-I17 PolarHBondContact O-N 2.8Å; D15-S33 VanDerWaalsContact C-OG 3.24Å; D15-S33 PolarHBondContact O-OG 3.4Å; D15-M34 HydrophobicContact CB-CB 3.91Å; D15-M34 VanDerWaalsContact CG-CB 3.48Å; D15-M34 WeakPolarHBondContact OD2-CB 3.48Å; D15-D35 HydrophobicContact CB-CB 3.98Å |
| 16 | S | 96.7 | Very high | 94.1 | Very high | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | trans | -47.3 | 129.5 | -178 | -56 | 0 | 0 | 0 | 0 | 112.1 | S33 M34 N286 | S16-S33 VanDerWaalsContact O-CA 3.3Å; S16-S33 WeakPolarHBondContact O-CA 3.45Å; S16-S33 WeakPolarHBondContact O-CB 3.36Å; S16-S33 PolarHBondContact O-OG 3.31Å; S16-M34 PolarHBondContact O-N 3.44Å; S16-N286 VanDerWaalsContact CB-OD1 3.3Å; S16-N286 WeakPolarHBondContact CB-OD1 3.14Å; S16-N286 PolarHBondContact OG-OD1 3.36Å | ||
| 17 | I | 97.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 145.5 | 173.2 | -65.3 | 142.8 | 0 | 0 | 0 | 107.9 | D15 V20 T270 A271 G285 E288 Q289 V290 | D15-I17 PolarHBondContact O-N 2.8Å; I17-V20 HydrophobicContact CG2-CG1 3.97Å; I17-T270 WeakPolarHBondContact O-CB 3.48Å; I17-T270 PolarHBondContact O-OG1 2.7Å; I17-A271 HydrophobicContact CG2-CB 3.97Å; I17-G285 PolarHBondContact N-O 3.25Å; I17-E288 VanDerWaalsContact CD1-C 3.48Å; I17-Q289 WeakPolarHBondContact CD1-O 3.28Å; I17-V290 HydrophobicContact CD1-CB 4.36Å; I17-V290 HydrophobicContact CD1-CG2 3.39Å; I17-V290 HydrophobicContact CG1-CG2 3.99Å; I17-V290 HydrophobicContact CG2-CG2 4.37Å |
| 18 | T | 97.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -31.7 | -175.5 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | C32 M34 V59 F60 | T18-C32 PolarHBondContact N-O 2.98Å; T18-C32 PolarHBondContact OG1-O 3.48Å; T18-C32 VanDerWaalsContact OG1-O 3.13Å; T18-C32 PolarHBondContact OG1-SG 3.03Å; T18-M34 HydrophobicContact CG2-CG 3.74Å; T18-M34 HydrophobicContact CG2-SD 3.63Å; T18-V59 WeakPolarHBondContact CB-O 3.43Å; T18-V59 WeakPolarHBondContact CG2-O 3.36Å; T18-V59 PolarHBondContact OG1-O 3.35Å; T18-F60 HydrophobicContact CG2-CD1 4.46Å |
| 19 | C | 97.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 152.6 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | S31 C32 V62 W103 | C19-S31 WeakPolarHBondContact O-CA 3.45Å; C19-C32 VanDerWaalsContact CB-SG 3.56Å; C19-C32 PolarHBondContact O-N 2.9Å; C19-V62 HydrophobicContact CB-CG1 4.17Å; C19-W103 HydrophobicContact CB-CH2 4.43Å; C19-W103 VanDerWaalsContact SG-CH2 3.59Å |
| 20 | V | 97.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 150.3 | 171.4 | -62.8 | 0 | 0 | 0 | 0 | 108.8 | I17 L29 A30 A271 A273 A282 V290 | I17-V20 HydrophobicContact CG2-CG1 3.97Å; V20-L29 HydrophobicContact CB-CD1 4.34Å; V20-A30 CarbonylContact C-O 3.59Å; V20-A30 WeakPolarHBondContact CA-O 3.39Å; V20-A271 HydrophobicContact CG1-CB 4.07Å; V20-A271 HydrophobicContact CG2-CB 4.11Å; V20-A273 HydrophobicContact CG2-CB 4.07Å; V20-A282 HydrophobicContact CB-CB 4.49Å; V20-A282 HydrophobicContact CG2-CB 4.01Å; V20-V290 HydrophobicContact CG1-CG1 4.04Å; V20-V290 HydrophobicContact CG1-CG2 4.37Å |
| 21 | D | 97.5 | Very high | 95 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.1 | 174.3 | -160.9 | 36.3 | 0 | 0 | 0 | 111.5 | A30 V62 R63 F64 | D21-A30 PolarHBondContact N-O 2.98Å; D21-A30 PolarHBondContact O-N 3.07Å; D21-V62 HydrophobicContact CB-CG1 4.35Å; D21-R63 IonicContact OD1-CZ 2.63Å; D21-R63 IonicContact OD1-NH1 3.24Å; D21-R63 PolarHBondContact OD1-NH1 3.09Å; D21-R63 IonicContact OD1-NH2 2.68Å; D21-R63 VanDerWaalsContact OD2-CA 3.25Å; D21-R63 WeakPolarHBondContact OD2-CA 3.47Å; D21-R63 IonicContact OD2-NH1 3.03Å; D21-F64 HydrophobicContact CB-CD2 4.28Å; D21-F64 WeakPolarHBondContact O-CE2 2.96Å; D21-F64 PolarHBondContact OD2-N 3.43Å |
| 22 | F | 96.7 | Very high | 95.3 | Very high | 11 Ų | 11 | 33 Ų | 33 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.8 | 179.6 | -74.7 | -91.3 | 0 | 0 | 0 | 110.9 | L29 I43 F64 A273 F274 H280 A282 L292 | F22-L29 HydrophobicContact CD1-CD1 3.92Å; F22-L29 HydrophobicContact CD2-CD1 3.98Å; F22-L29 HydrophobicContact CE1-CD1 3.83Å; F22-L29 HydrophobicContact CE2-CD1 3.87Å; F22-L29 HydrophobicContact CG-CD1 4.01Å; F22-L29 HydrophobicContact CZ-CD1 3.81Å; F22-I43 HydrophobicContact CD1-CD1 4.12Å; F22-I43 HydrophobicContact CE1-CD1 3.98Å; F22-F64 VanDerWaalsContact O-CD2 3.32Å; F22-F64 WeakPolarHBondContact O-CD2 3.4Å; F22-A273 HydrophobicContact CD2-CB 4.42Å; F22-A273 WeakPolarHBondContact CE2-O 3.37Å; F22-F274 WeakPolarHBondContact CD2-O 3.39Å; F22-H280 HydrophobicContact CZ-CB 4.49Å; F22-A282 HydrophobicContact CE2-CB 3.61Å; F22-A282 HydrophobicContact CZ-CB 3.56Å; F22-L292 HydrophobicContact CE1-CD1 3.61Å; F22-L292 HydrophobicContact CZ-CD1 3.54Å |
| 23 | N | 94.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | trans | -62 | 140 | 163 | 178.3 | -48.4 | 0 | 0 | 0 | 108.5 | T25 G26 Q28 F64 | N23-T25 PolarHBondContact O-N 2.94Å; N23-T25 WeakPolarHBondContact OD1-CB 3.4Å; N23-T25 PolarHBondContact OD1-N 3.47Å; N23-T25 PolarHBondContact OD1-OG1 3.24Å; N23-G26 WeakPolarHBondContact O-CA 3.42Å; N23-G26 PolarHBondContact O-N 3.15Å; N23-Q28 HydrophobicContact CB-CB 3.85Å; N23-Q28 PolarHBondContact N-O 2.96Å; N23-F64 HydrophobicContact CB-CD1 4.19Å; N23-F64 HydrophobicContact CB-CD2 4.39Å; N23-F64 HydrophobicContact CB-CE1 3.96Å; N23-F64 HydrophobicContact CB-CE2 4.16Å; N23-F64 HydrophobicContact CB-CG 4.39Å; N23-F64 HydrophobicContact CB-CZ 3.95Å | ||
| 24 | P | 93.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 31% | 0.312 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -32.6 | 177.6 | -29.2 | 33.6 | 0 | 0 | 0 | 114.7 | G26 S65 P66 | P24-G26 PolarHBondContact O-N 2.96Å; P24-S65 WeakPolarHBondContact CG-O 3.04Å; P24-P66 WeakPolarHBondContact CG-O 3.3Å |
| 25 | T | 93 | Very high | 95.8 | Very high | 86 Ų | 86 | 27.1 Ų | 27.1 | 53% | 0.528 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.3 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | N23 K27 | N23-T25 PolarHBondContact O-N 2.94Å; N23-T25 WeakPolarHBondContact OD1-CB 3.4Å; N23-T25 PolarHBondContact OD1-N 3.47Å; N23-T25 PolarHBondContact OD1-OG1 3.24Å; T25-K27 PolarHBondContact O-N 3.47Å |
| 26 | G | 90.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 25 Ų | 25 | 31% | 0.309 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 69.8 | 9.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N23 P24 I43 | N23-G26 WeakPolarHBondContact O-CA 3.42Å; N23-G26 PolarHBondContact O-N 3.15Å; P24-G26 PolarHBondContact O-N 2.96Å; G26-I43 WeakPolarHBondContact O-CD1 3.45Å |
| 27 | K | 91.7 | Very high | 95.8 | Very high | 130 Ų | 130 | 24.6 Ų | 24.6 | 57% | 0.565 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -90 | -22.9 | -177.6 | -66.8 | 176 | -177.6 | 170 | 0 | 113.7 | T25 N42 I43 | T25-K27 PolarHBondContact O-N 3.47Å; K27-N42 PolarHBondContact O-OD1 3.19Å; K27-I43 PolarHBondContact O-N 3.27Å |
| 28 | Q | 93.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.4 | -177 | -65.5 | 177.2 | -10.7 | 0 | 0 | 110.4 | N23 I40 W41 | N23-Q28 HydrophobicContact CB-CB 3.85Å; N23-Q28 PolarHBondContact N-O 2.96Å; Q28-I40 HydrophobicContact CB-CG2 4.17Å; Q28-I40 HydrophobicContact CG-CG2 4.39Å; Q28-W41 CarbonylContact C-O 3.47Å; Q28-W41 WeakPolarHBondContact CA-O 3.33Å |
| 29 | L | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.9 | 173.7 | 178.9 | 70.7 | 0 | 0 | 0 | 107.6 | F10 V20 F22 I40 W41 A282 V290 | F10-L29 HydrophobicContact CD2-CD2 4.16Å; F10-L29 HydrophobicContact CE2-CD2 3.84Å; V20-L29 HydrophobicContact CB-CD1 4.34Å; F22-L29 HydrophobicContact CD1-CD1 3.92Å; F22-L29 HydrophobicContact CD2-CD1 3.98Å; F22-L29 HydrophobicContact CE1-CD1 3.83Å; F22-L29 HydrophobicContact CE2-CD1 3.87Å; F22-L29 HydrophobicContact CG-CD1 4.01Å; F22-L29 HydrophobicContact CZ-CD1 3.81Å; L29-I40 WeakPolarHBondContact O-CA 3.37Å; L29-W41 HydrophobicContact CB-CB 4.33Å; L29-W41 PolarHBondContact N-O 3.37Å; L29-W41 VanDerWaalsContact O-CD1 3.27Å; L29-W41 PolarHBondContact O-N 3.01Å; L29-A282 HydrophobicContact CD1-CB 3.67Å; L29-A282 HydrophobicContact CD2-CB 3.87Å; L29-A282 HydrophobicContact CG-CB 4.45Å; L29-V290 HydrophobicContact CD2-CG1 3.65Å |
| 30 | A | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 140.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V20 D21 L38 M39 I40 V62 F64 | V20-A30 CarbonylContact C-O 3.59Å; V20-A30 WeakPolarHBondContact CA-O 3.39Å; D21-A30 PolarHBondContact N-O 2.98Å; D21-A30 PolarHBondContact O-N 3.07Å; A30-L38 HydrophobicContact CB-CD1 4.23Å; A30-M39 CarbonylContact C-O 3.49Å; A30-M39 WeakPolarHBondContact CA-O 3.46Å; A30-I40 HydrophobicContact CB-CD1 3.4Å; A30-I40 VanDerWaalsContact CB-CD1 3.4Å; A30-V62 HydrophobicContact CB-CG1 4.31Å; A30-V62 HydrophobicContact CB-CG2 3.74Å; A30-F64 HydrophobicContact CB-CD2 4.21Å; A30-F64 HydrophobicContact CB-CE2 3.35Å; A30-F64 HydrophobicContact CB-CZ 3.8Å |
| 31 | S | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.8 | 168.6 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | H13 C19 M39 W41 | H13-S31 PolarHBondContact CD2-OG 3.4Å; H13-S31 PolarHBondContact NE2-OG 3.16Å; C19-S31 WeakPolarHBondContact O-CA 3.45Å; S31-M39 PolarHBondContact N-O 3.34Å; S31-M39 PolarHBondContact O-N 3.07Å; S31-W41 PolarHBondContact OG-NE1 3.37Å |
| 32 | C | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 154.5 | 170.9 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | T18 C19 V59 V62 | T18-C32 PolarHBondContact N-O 2.98Å; T18-C32 PolarHBondContact OG1-O 3.48Å; T18-C32 VanDerWaalsContact OG1-O 3.13Å; T18-C32 PolarHBondContact OG1-SG 3.03Å; C19-C32 VanDerWaalsContact CB-SG 3.56Å; C19-C32 PolarHBondContact O-N 2.9Å; C32-V59 HydrophobicContact CB-CB 3.83Å; C32-V59 HydrophobicContact CB-CG1 3.47Å; C32-V59 VanDerWaalsContact CB-CG1 3.47Å; C32-V62 HydrophobicContact CB-CB 4.24Å; C32-V62 HydrophobicContact CB-CG1 4.34Å |
| 33 | S | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 165.9 | -172.6 | 164.7 | 0 | 0 | 0 | 0 | 111.6 | H13 D15 S16 D35 A36 C37 V59 | H13-S33 WeakPolarHBondContact ND1-CB 3.46Å; D15-S33 VanDerWaalsContact C-OG 3.24Å; D15-S33 PolarHBondContact O-OG 3.4Å; S16-S33 VanDerWaalsContact O-CA 3.3Å; S16-S33 WeakPolarHBondContact O-CA 3.45Å; S16-S33 WeakPolarHBondContact O-CB 3.36Å; S16-S33 PolarHBondContact O-OG 3.31Å; S33-D35 VanDerWaalsContact CB-OD1 3.27Å; S33-D35 WeakPolarHBondContact CB-OD1 3.24Å; S33-D35 PolarHBondContact O-N 2.92Å; S33-D35 PolarHBondContact OG-N 2.99Å; S33-D35 VanDerWaalsContact OG-N 3.11Å; S33-D35 PolarHBondContact OG-OD1 3.22Å; S33-A36 PolarHBondContact O-N 2.74Å; S33-C37 PolarHBondContact N-O 3.17Å; S33-V59 PolarHBondContact O-N 3Å; S33-V59 VanDerWaalsContact O-N 3.13Å |
| 34 | M | 97.2 | Very high | 94.2 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.5 | 167.8 | -64.3 | -62.1 | -67.1 | 0 | 0 | 112.6 | D15 S16 T18 A36 A58 F60 | D15-M34 HydrophobicContact CB-CB 3.91Å; D15-M34 VanDerWaalsContact CG-CB 3.48Å; D15-M34 WeakPolarHBondContact OD2-CB 3.48Å; S16-M34 PolarHBondContact O-N 3.44Å; T18-M34 HydrophobicContact CG2-CG 3.74Å; T18-M34 HydrophobicContact CG2-SD 3.63Å; M34-A36 PolarHBondContact O-N 3.4Å; M34-A58 HydrophobicContact CB-CB 4.42Å; M34-A58 HydrophobicContact CE-CB 3.63Å; M34-A58 HydrophobicContact SD-CB 3.58Å; M34-A58 VanDerWaalsContact SD-CB 3.58Å; M34-F60 HydrophobicContact CE-CE1 4.41Å; M34-F60 HydrophobicContact SD-CD1 4.33Å; M34-F60 HydrophobicContact SD-CE1 3.85Å |
| 35 | D | 96.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 10 | 175 | 74.3 | 2.9 | 0 | 0 | 0 | 115 | H13 K14 D15 S33 C37 | H13-D35 WeakPolarHBondContact CA-OD2 3.43Å; H13-D35 IonicContact CE1-OD1 2.73Å; H13-D35 IonicContact CG-OD2 3.42Å; H13-D35 IonicContact ND1-OD1 2.84Å; H13-D35 PolarHBondContact ND1-OD1 3.21Å; H13-D35 IonicContact ND1-OD2 3.74Å; H13-D35 PolarHBondContact ND1-OD2 3.41Å; K14-D35 HydrophobicContact CB-CB 4.27Å; K14-D35 PolarHBondContact N-OD2 3Å; K14-D35 VanDerWaalsContact N-OD2 3.14Å; D15-D35 HydrophobicContact CB-CB 3.98Å; S33-D35 VanDerWaalsContact CB-OD1 3.27Å; S33-D35 WeakPolarHBondContact CB-OD1 3.24Å; S33-D35 PolarHBondContact O-N 2.92Å; S33-D35 PolarHBondContact OG-N 2.99Å; S33-D35 VanDerWaalsContact OG-N 3.11Å; S33-D35 PolarHBondContact OG-OD1 3.22Å; D35-C37 PolarHBondContact O-N 3.39Å; D35-C37 PolarHBondContact O-SG 2.76Å; D35-C37 WeakPolarHBondContact OD1-CA 3.34Å; D35-C37 WeakPolarHBondContact OD1-CB 3.31Å; D35-C37 PolarHBondContact OD1-N 3.02Å |
| 36 | A | 96.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 61.3 | 14.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | S33 M34 D57 | S33-A36 PolarHBondContact O-N 2.74Å; M34-A36 PolarHBondContact O-N 3.4Å; A36-D57 WeakPolarHBondContact CB-O 3.31Å |
| 37 | C | 95.5 | Very high | 92 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | S33 D35 K51 | S33-C37 PolarHBondContact N-O 3.17Å; D35-C37 PolarHBondContact O-N 3.39Å; D35-C37 PolarHBondContact O-SG 2.76Å; D35-C37 WeakPolarHBondContact OD1-CA 3.34Å; D35-C37 WeakPolarHBondContact OD1-CB 3.31Å; D35-C37 PolarHBondContact OD1-N 3.02Å; C37-K51 HydrophobicContact CB-CG 4.45Å; C37-K51 WeakPolarHBondContact SG-CE 3.4Å |
| 38 | L | 95.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.6 | 164.9 | 166.6 | 69.7 | 0 | 0 | 0 | 107.8 | A30 I40 F52 V62 I71 T73 W83 | A30-L38 HydrophobicContact CB-CD1 4.23Å; L38-I40 HydrophobicContact CD1-CD1 4Å; L38-I40 HydrophobicContact CD2-CD1 4.43Å; L38-I40 HydrophobicContact CG-CD1 4.19Å; L38-F52 HydrophobicContact CB-CB 4.17Å; L38-F52 HydrophobicContact CD2-CB 4.33Å; L38-F52 HydrophobicContact CD2-CD2 3.86Å; L38-F52 HydrophobicContact CD2-CG 4.49Å; L38-F52 HydrophobicContact CG-CB 4.47Å; L38-F52 HydrophobicContact CG-CD2 4.11Å; L38-F52 PolarHBondContact N-O 2.94Å; L38-F52 PolarHBondContact O-N 3.07Å; L38-V62 HydrophobicContact CD1-CB 4.35Å; L38-V62 HydrophobicContact CD1-CG2 3.63Å; L38-I71 HydrophobicContact CD1-CG2 4.37Å; L38-I71 HydrophobicContact CD2-CG2 3.91Å; L38-T73 HydrophobicContact CB-CG2 4.33Å; L38-T73 HydrophobicContact CD1-CG2 4.06Å; L38-T73 HydrophobicContact CD2-CG2 3.87Å; L38-T73 HydrophobicContact CG-CG2 4.31Å; L38-W83 HydrophobicContact CD2-CD2 4.22Å; L38-W83 HydrophobicContact CD2-CG 4Å |
| 39 | M | 95.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.6 | 172.6 | -67.6 | -166.5 | -178.5 | 0 | 0 | 111 | G12 A30 S31 W41 Y50 K51 | G12-M39 VanDerWaalsContact C-CE 3.47Å; G12-M39 WeakPolarHBondContact O-CE 3.3Å; A30-M39 CarbonylContact C-O 3.49Å; A30-M39 WeakPolarHBondContact CA-O 3.46Å; S31-M39 PolarHBondContact N-O 3.34Å; S31-M39 PolarHBondContact O-N 3.07Å; M39-W41 HydrophobicContact CB-CZ2 3.79Å; M39-W41 HydrophobicContact CG-CZ2 4.25Å; M39-W41 HydrophobicContact SD-CH2 3.65Å; M39-W41 HydrophobicContact SD-CZ2 3.44Å; M39-W41 WeakPolarHBondContact SD-CZ2 3.33Å; M39-Y50 CarbonylContact C-O 3.56Å; M39-Y50 VanDerWaalsContact CA-O 3.27Å; M39-Y50 WeakPolarHBondContact CA-O 3.28Å; M39-K51 HydrophobicContact CE-CD 3.88Å; M39-K51 HydrophobicContact CE-CG 4.16Å; M39-K51 HydrophobicContact CG-CG 4.49Å |
| 40 | I | 94.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.9 | 173.4 | -51.7 | -58.4 | 0 | 0 | 0 | 108.7 | Q28 L29 A30 L38 A49 Y50 F52 F64 I71 | Q28-I40 HydrophobicContact CB-CG2 4.17Å; Q28-I40 HydrophobicContact CG-CG2 4.39Å; L29-I40 WeakPolarHBondContact O-CA 3.37Å; A30-I40 HydrophobicContact CB-CD1 3.4Å; A30-I40 VanDerWaalsContact CB-CD1 3.4Å; L38-I40 HydrophobicContact CD1-CD1 4Å; L38-I40 HydrophobicContact CD2-CD1 4.43Å; L38-I40 HydrophobicContact CG-CD1 4.19Å; I40-A49 CarbonylContact O-C 3.53Å; I40-A49 VanDerWaalsContact O-CA 3.22Å; I40-A49 WeakPolarHBondContact O-CA 3.36Å; I40-Y50 PolarHBondContact N-O 3.3Å; I40-Y50 PolarHBondContact O-N 3.27Å; I40-F52 HydrophobicContact CG1-CD2 4.06Å; I40-F52 HydrophobicContact CG1-CE2 3.62Å; I40-F64 HydrophobicContact CD1-CZ 4.23Å; I40-I71 HydrophobicContact CD1-CD1 3.5Å; I40-I71 HydrophobicContact CG1-CD1 4Å |
| 41 | W | 93.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.2 | 178.5 | -44.8 | 89 | 0 | 0 | 0 | 108.7 | F10 Q28 L29 S31 M39 A49 | F10-W41 HydrophobicContact CB-CD2 3.9Å; F10-W41 HydrophobicContact CB-CE3 3.72Å; F10-W41 HydrophobicContact CB-CH2 4.07Å; F10-W41 HydrophobicContact CB-CZ2 4.22Å; F10-W41 HydrophobicContact CB-CZ3 3.82Å; F10-W41 HydrophobicContact CD1-CB 4.16Å; F10-W41 AromaticContact CD1-CD2 3.89Å; F10-W41 HydrophobicContact CD1-CD2 3.89Å; F10-W41 AromaticContact CD1-CE3 3.48Å; F10-W41 HydrophobicContact CD1-CE3 3.48Å; F10-W41 VanDerWaalsContact CD1-CE3 3.48Å; F10-W41 HydrophobicContact CD1-CG 4.17Å; F10-W41 HydrophobicContact CD1-CZ3 4.21Å; F10-W41 HydrophobicContact CD2-CG 4.48Å; F10-W41 HydrophobicContact CE1-CB 3.95Å; F10-W41 HydrophobicContact CE1-CE3 4.31Å; F10-W41 HydrophobicContact CE1-CG 4.44Å; F10-W41 HydrophobicContact CE2-CB 4.5Å; F10-W41 AromaticContact CG-CD2 3.89Å; F10-W41 HydrophobicContact CG-CD2 3.89Å; F10-W41 AromaticContact CG-CE3 3.81Å; F10-W41 HydrophobicContact CG-CE3 3.81Å; F10-W41 HydrophobicContact CG-CG 4.19Å; F10-W41 HydrophobicContact CG-CZ3 4.39Å; F10-W41 HydrophobicContact CZ-CB 4.13Å; Q28-W41 CarbonylContact C-O 3.47Å; Q28-W41 WeakPolarHBondContact CA-O 3.33Å; L29-W41 HydrophobicContact CB-CB 4.33Å; L29-W41 PolarHBondContact N-O 3.37Å; L29-W41 VanDerWaalsContact O-CD1 3.27Å; L29-W41 PolarHBondContact O-N 3.01Å; S31-W41 PolarHBondContact OG-NE1 3.37Å; M39-W41 HydrophobicContact CB-CZ2 3.79Å; M39-W41 HydrophobicContact CG-CZ2 4.25Å; M39-W41 HydrophobicContact SD-CH2 3.65Å; M39-W41 HydrophobicContact SD-CZ2 3.44Å; M39-W41 WeakPolarHBondContact SD-CZ2 3.33Å; W41-A49 HydrophobicContact CD2-CB 3.97Å; W41-A49 HydrophobicContact CE3-CB 3.45Å; W41-A49 VanDerWaalsContact CE3-CB 3.45Å; W41-A49 HydrophobicContact CH2-CB 4.31Å; W41-A49 HydrophobicContact CZ3-CB 3.64Å |
| 42 | N | 92 | Very high | 90.7 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.9 | 168.4 | 180 | -1.1 | 0 | 0 | 0 | 107.6 | K27 K44 T47 | K27-N42 PolarHBondContact O-OD1 3.19Å; N42-K44 PolarHBondContact O-N 3.07Å; N42-K44 PolarHBondContact OD1-N 3.11Å; N42-T47 HydrophobicContact CB-CG2 4.42Å; N42-T47 VanDerWaalsContact CB-OG1 3.25Å; N42-T47 WeakPolarHBondContact CB-OG1 3.41Å; N42-T47 PolarHBondContact O-OG1 3.39Å; N42-T47 VanDerWaalsContact O-OG1 3.11Å |
| 43 | I | 89.7 | Confident | 90.4 | Very high | 31 Ų | 31 | 63 Ų | 63 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -74.3 | -17.3 | -171.9 | -69 | 161.9 | 0 | 0 | 0 | 110.8 | I8 F22 G26 K27 L292 | I8-I43 HydrophobicContact CD1-CG2 4.37Å; I8-I43 WeakPolarHBondContact CD1-O 3.34Å; F22-I43 HydrophobicContact CD1-CD1 4.12Å; F22-I43 HydrophobicContact CE1-CD1 3.98Å; G26-I43 WeakPolarHBondContact O-CD1 3.45Å; K27-I43 PolarHBondContact O-N 3.27Å; I43-L292 HydrophobicContact CG1-CD2 4.2Å; I43-L292 HydrophobicContact CG2-CD2 3.76Å |
| 44 | K | 86.7 | Confident | 90.1 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -63.6 | 135.8 | 172.5 | -69.8 | -172 | 178.1 | -174.8 | 0 | 110.8 | N42 T47 | N42-K44 PolarHBondContact O-N 3.07Å; N42-K44 PolarHBondContact OD1-N 3.11Å; K44-T47 HydrophobicContact CB-CG2 4.04Å; K44-T47 PolarHBondContact O-OG1 3.03Å |
| 45 | P | 75.2 | Confident | 90.1 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 148.2 | 176.7 | -24.3 | 31.7 | 0 | 0 | 0 | 112.6 | T47 | P45-T47 PolarHBondContact O-N 3.43Š|
| 46 | Q | 74.6 | Confident | 90 | Very high | 207 Ų | 207 | 70.4 Ų | 70.4 | 97% | 0.967 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 16.8 | 171.9 | -55.2 | 179.9 | -11.5 | 0 | 0 | 116.2 | ||
| 47 | T | 79 | Confident | 90.1 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -90.9 | 139.4 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | N42 K44 P45 | N42-T47 HydrophobicContact CB-CG2 4.42Å; N42-T47 VanDerWaalsContact CB-OG1 3.25Å; N42-T47 WeakPolarHBondContact CB-OG1 3.41Å; N42-T47 PolarHBondContact O-OG1 3.39Å; N42-T47 VanDerWaalsContact O-OG1 3.11Å; K44-T47 HydrophobicContact CB-CG2 4.04Å; K44-T47 PolarHBondContact O-OG1 3.03Å; P45-T47 PolarHBondContact O-N 3.43Å |
| 48 | R | 83.6 | Confident | 90.1 | Very high | 234 Ų | 234 | 72.1 Ų | 72.1 | 88% | 0.883 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 143 | 175.2 | -68.2 | -176 | 178.9 | -178.9 | -0.2 | 109.9 | ||
| 49 | A | 89 | Confident | 90.2 | Very high | 38 Ų | 38 | 72 Ų | 72 | 31% | 0.314 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 143.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I40 W41 | I40-A49 CarbonylContact O-C 3.53Å; I40-A49 VanDerWaalsContact O-CA 3.22Å; I40-A49 WeakPolarHBondContact O-CA 3.36Å; W41-A49 HydrophobicContact CD2-CB 3.97Å; W41-A49 HydrophobicContact CE3-CB 3.45Å; W41-A49 VanDerWaalsContact CE3-CB 3.45Å; W41-A49 HydrophobicContact CH2-CB 4.31Å; W41-A49 HydrophobicContact CZ3-CB 3.64Å |
| 50 | Y | 90.4 | Very high | 90.4 | Very high | 109 Ų | 109 | 72.3 Ų | 72.3 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.3 | 167.2 | -61.6 | -73.3 | 0 | 0 | 0 | 109.2 | M39 I40 I87 | M39-Y50 CarbonylContact C-O 3.56Å; M39-Y50 VanDerWaalsContact CA-O 3.27Å; M39-Y50 WeakPolarHBondContact CA-O 3.28Å; I40-Y50 PolarHBondContact N-O 3.3Å; I40-Y50 PolarHBondContact O-N 3.27Å; Y50-I87 HydrophobicContact CE1-CG1 3.95Å |
| 51 | K | 92.8 | Very high | 90.5 | Very high | 96 Ų | 96 | 72 Ų | 72 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.1 | 176.4 | -178.4 | 177 | -177.3 | 163.7 | 0 | 109.5 | C37 M39 | C37-K51 HydrophobicContact CB-CG 4.45Å; C37-K51 WeakPolarHBondContact SG-CE 3.4Å; M39-K51 HydrophobicContact CE-CD 3.88Å; M39-K51 HydrophobicContact CE-CG 4.16Å; M39-K51 HydrophobicContact CG-CG 4.49Å |
| 52 | F | 92.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.9 | 176.5 | -59.8 | -61.4 | 0 | 0 | 0 | 109.9 | L38 I40 W83 S86 | L38-F52 HydrophobicContact CB-CB 4.17Å; L38-F52 HydrophobicContact CD2-CB 4.33Å; L38-F52 HydrophobicContact CD2-CD2 3.86Å; L38-F52 HydrophobicContact CD2-CG 4.49Å; L38-F52 HydrophobicContact CG-CB 4.47Å; L38-F52 HydrophobicContact CG-CD2 4.11Å; L38-F52 PolarHBondContact N-O 2.94Å; L38-F52 PolarHBondContact O-N 3.07Å; I40-F52 HydrophobicContact CG1-CD2 4.06Å; I40-F52 HydrophobicContact CG1-CE2 3.62Å; F52-W83 HydrophobicContact CB-CE3 4.03Å; F52-W83 HydrophobicContact CB-CH2 4.25Å; F52-W83 HydrophobicContact CB-CZ3 3.85Å; F52-W83 HydrophobicContact CG-CE3 4.3Å; F52-W83 HydrophobicContact CG-CZ3 4.49Å; F52-S86 WeakPolarHBondContact CE1-O 3.42Å; F52-S86 VanDerWaalsContact CZ-O 3.3Å; F52-S86 WeakPolarHBondContact CZ-O 3.48Å |
| 53 | S | 91.7 | Very high | 91 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 54 | G | 91.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | trans | -172.3 | -18.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K81 | G54-K81 WeakPolarHBondContact O-CE 3.29Š| ||
| 55 | H | 95.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 63 Ų | 63 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | trans | -69.8 | 150.3 | 162.9 | -81.8 | -63.8 | 0 | 0 | 0 | 110.7 | V59 T73 S75 D77 T79 | H55-V59 HydrophobicContact CB-CG2 3.9Å; H55-T73 PolarHBondContact CD2-OG1 2.8Å; H55-T73 PolarHBondContact NE2-OG1 3.46Å; H55-S75 VanDerWaalsContact CE1-CB 3.41Å; H55-S75 WeakPolarHBondContact CE1-CB 3.23Å; H55-S75 WeakPolarHBondContact ND1-CB 3.49Å; H55-D77 WeakPolarHBondContact CA-OD2 3.4Å; H55-D77 IonicContact CE1-OD1 3.59Å; H55-D77 IonicContact CE1-OD2 3.97Å; H55-D77 IonicContact CG-OD2 2.83Å; H55-D77 IonicContact ND1-OD1 3.78Å; H55-D77 PolarHBondContact ND1-OD1 3.17Å; H55-D77 IonicContact ND1-OD2 2.93Å; H55-D77 PolarHBondContact ND1-OD2 3.31Å; H55-T79 PolarHBondContact CE1-OG1 2.95Å; H55-T79 PolarHBondContact ND1-OG1 3.42Å | ||
| 56 | K | 95.4 | Very high | 92.5 | Very high | 189 Ų | 189 | 60.5 Ų | 60.5 | 82% | 0.822 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -92.8 | -9.1 | -178.6 | -64 | -176.1 | 178.7 | -175 | 0 | 113.5 | D77 | K56-D77 HydrophobicContact CB-CB 4.11Å; K56-D77 PolarHBondContact N-OD2 3.15Å |
| 57 | D | 97.2 | Very high | 93.4 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -154.2 | 174 | -174.3 | -157.6 | -21.3 | 0 | 0 | 0 | 108.7 | A36 V59 S75 R76 D77 | A36-D57 WeakPolarHBondContact CB-O 3.31Å; D57-V59 PolarHBondContact O-N 3.4Å; D57-S75 PolarHBondContact O-OG 3.21Å; D57-R76 HydrophobicContact CB-CB 4Å; D57-R76 HydrophobicContact CB-CG 4.46Å; D57-R76 WeakPolarHBondContact OD1-CD 3.49Å; D57-R76 WeakPolarHBondContact OD2-CD 3.31Å; D57-R76 VanDerWaalsContact OD2-CG 3.28Å; D57-R76 WeakPolarHBondContact OD2-CG 3.33Å; D57-D77 HydrophobicContact CB-CB 4.04Å |
| 58 | A | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | trans | -42.3 | 132 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M34 F60 S75 R76 | M34-A58 HydrophobicContact CB-CB 4.42Å; M34-A58 HydrophobicContact CE-CB 3.63Å; M34-A58 HydrophobicContact SD-CB 3.58Å; M34-A58 VanDerWaalsContact SD-CB 3.58Å; A58-F60 HydrophobicContact CB-CE1 4.31Å; A58-F60 HydrophobicContact CB-CZ 4.47Å; A58-S75 CarbonylContact O-C 3.51Å; A58-S75 VanDerWaalsContact O-CA 3.3Å; A58-S75 WeakPolarHBondContact O-CA 3.48Å; A58-S75 WeakPolarHBondContact O-CB 3.25Å; A58-S75 PolarHBondContact O-OG 3.47Å; A58-R76 HydrophobicContact CB-CB 4.34Å; A58-R76 PolarHBondContact O-N 2.82Å | ||
| 59 | V | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.4 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | T18 C32 S33 H55 D57 T73 A74 | T18-V59 WeakPolarHBondContact CB-O 3.43Å; T18-V59 WeakPolarHBondContact CG2-O 3.36Å; T18-V59 PolarHBondContact OG1-O 3.35Å; C32-V59 HydrophobicContact CB-CB 3.83Å; C32-V59 HydrophobicContact CB-CG1 3.47Å; C32-V59 VanDerWaalsContact CB-CG1 3.47Å; S33-V59 PolarHBondContact O-N 3Å; S33-V59 VanDerWaalsContact O-N 3.13Å; H55-V59 HydrophobicContact CB-CG2 3.9Å; D57-V59 PolarHBondContact O-N 3.4Å; V59-T73 HydrophobicContact CG1-CG2 4.23Å; V59-A74 CarbonylContact C-O 3.57Å; V59-A74 WeakPolarHBondContact CG1-O 3.42Å |
| 60 | F | 97.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -29 | -175.3 | -69.6 | -51 | 0 | 0 | 0 | 114 | T18 M34 A58 A74 R76 A100 V101 R102 | T18-F60 HydrophobicContact CG2-CD1 4.46Å; M34-F60 HydrophobicContact CE-CE1 4.41Å; M34-F60 HydrophobicContact SD-CD1 4.33Å; M34-F60 HydrophobicContact SD-CE1 3.85Å; A58-F60 HydrophobicContact CB-CE1 4.31Å; A58-F60 HydrophobicContact CB-CZ 4.47Å; F60-A74 PolarHBondContact N-O 3.11Å; F60-R76 HydrophobicContact CD2-CB 4.36Å; F60-R76 HydrophobicContact CE2-CB 3.49Å; F60-R76 VanDerWaalsContact CE2-CB 3.49Å; F60-R76 HydrophobicContact CE2-CG 4.15Å; F60-R76 HydrophobicContact CZ-CB 3.83Å; F60-R76 HydrophobicContact CZ-CG 4.29Å; F60-A100 HydrophobicContact CE2-CB 4.12Å; F60-V101 WeakPolarHBondContact CD2-O 3.27Å; F60-R102 WeakPolarHBondContact CB-O 3.39Å |
| 61 | C | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144.6 | -175.8 | -172 | 0 | 0 | 0 | 0 | 110.6 | T73 A74 W103 L104 | C61-T73 VanDerWaalsContact O-CA 3.28Å; C61-T73 WeakPolarHBondContact O-CA 3.39Å; C61-A74 HydrophobicContact CB-CB 4.3Å; C61-A74 PolarHBondContact N-O 3.47Å; C61-A74 PolarHBondContact O-N 2.93Å; C61-W103 HydrophobicContact CB-CD2 4.26Å; C61-W103 HydrophobicContact CB-CE3 4.03Å; C61-W103 HydrophobicContact CB-CZ3 4.28Å; C61-L104 HydrophobicContact CB-CD2 4.26Å; C61-L104 HydrophobicContact CB-CG 4.38Å |
| 62 | V | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.5 | 170.1 | 61.8 | 0 | 0 | 0 | 0 | 109 | C19 D21 A30 C32 L38 I71 L72 T73 | C19-V62 HydrophobicContact CB-CG1 4.17Å; D21-V62 HydrophobicContact CB-CG1 4.35Å; A30-V62 HydrophobicContact CB-CG1 4.31Å; A30-V62 HydrophobicContact CB-CG2 3.74Å; C32-V62 HydrophobicContact CB-CB 4.24Å; C32-V62 HydrophobicContact CB-CG1 4.34Å; L38-V62 HydrophobicContact CD1-CB 4.35Å; L38-V62 HydrophobicContact CD1-CG2 3.63Å; V62-I71 HydrophobicContact CG2-CG2 3.6Å; V62-L72 CarbonylContact C-O 3.55Å; V62-L72 VanDerWaalsContact CA-O 3.29Å; V62-L72 WeakPolarHBondContact CA-O 3.46Å; V62-T73 HydrophobicContact CB-CG2 4.37Å; V62-T73 HydrophobicContact CG2-CG2 4.12Å |
| 63 | R | 97.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.9 | 169.1 | -69.6 | -78.4 | 141.2 | -168.2 | -6.3 | 110.8 | D21 I71 L72 L104 R147 | D21-R63 IonicContact OD1-CZ 2.63Å; D21-R63 IonicContact OD1-NH1 3.24Å; D21-R63 PolarHBondContact OD1-NH1 3.09Å; D21-R63 IonicContact OD1-NH2 2.68Å; D21-R63 VanDerWaalsContact OD2-CA 3.25Å; D21-R63 WeakPolarHBondContact OD2-CA 3.47Å; D21-R63 IonicContact OD2-NH1 3.03Å; R63-I71 CarbonylContact O-C 3.53Å; R63-I71 WeakPolarHBondContact O-CA 3.47Å; R63-L72 PolarHBondContact N-O 3.24Å; R63-L72 PolarHBondContact O-N 2.96Å; R63-L104 HydrophobicContact CB-CD1 3.58Å; R63-L104 HydrophobicContact CG-CD1 3.62Å; R63-L104 HydrophobicContact CG-CG 4.26Å; R63-R147 VanDerWaalsContact CZ-NH1 3.35Å |
| 64 | F | 96.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 148.5 | 159 | -76.4 | -87.3 | 0 | 0 | 0 | 110.1 | D21 F22 N23 A30 I40 I71 | D21-F64 HydrophobicContact CB-CD2 4.28Å; D21-F64 WeakPolarHBondContact O-CE2 2.96Å; D21-F64 PolarHBondContact OD2-N 3.43Å; F22-F64 VanDerWaalsContact O-CD2 3.32Å; F22-F64 WeakPolarHBondContact O-CD2 3.4Å; N23-F64 HydrophobicContact CB-CD1 4.19Å; N23-F64 HydrophobicContact CB-CD2 4.39Å; N23-F64 HydrophobicContact CB-CE1 3.96Å; N23-F64 HydrophobicContact CB-CE2 4.16Å; N23-F64 HydrophobicContact CB-CG 4.39Å; N23-F64 HydrophobicContact CB-CZ 3.95Å; A30-F64 HydrophobicContact CB-CD2 4.21Å; A30-F64 HydrophobicContact CB-CE2 3.35Å; A30-F64 HydrophobicContact CB-CZ 3.8Å; I40-F64 HydrophobicContact CD1-CZ 4.23Å; F64-I71 HydrophobicContact CD1-CD1 4.35Å; F64-I71 HydrophobicContact CD1-CG1 3.52Å; F64-I71 HydrophobicContact CE1-CD1 3.68Å; F64-I71 HydrophobicContact CE1-CG1 3.35Å; F64-I71 HydrophobicContact CG-CG1 4.3Å; F64-I71 HydrophobicContact CZ-CD1 4.11Å; F64-I71 HydrophobicContact CZ-CG1 4.01Å |
| 65 | S | 94.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | trans | -61.4 | 143.7 | 160.2 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | P24 T67 G68 E69 L70 D110 | P24-S65 WeakPolarHBondContact CG-O 3.04Å; S65-T67 PolarHBondContact O-N 3.32Å; S65-G68 WeakPolarHBondContact O-CA 3.4Å; S65-G68 PolarHBondContact O-N 3.26Å; S65-G68 PolarHBondContact OG-N 3.31Å; S65-E69 PolarHBondContact OG-N 3.5Å; S65-L70 PolarHBondContact N-O 3.16Å; S65-L70 WeakPolarHBondContact OG-CA 3.44Å; S65-L70 PolarHBondContact OG-N 3.15Å; S65-L70 PolarHBondContact OG-O 3.36Å; S65-D110 WeakPolarHBondContact CA-OD1 3.3Å; S65-D110 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 66 | P | 93.5 | Very high | 96 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 38% | 0.377 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -36.3 | 167.1 | -24.2 | 10.7 | 0 | 0 | 0 | 116 | P24 G68 V106 S107 D110 | P24-P66 WeakPolarHBondContact CG-O 3.3Å; P66-G68 VanDerWaalsContact C-N 3.34Å; P66-V106 HydrophobicContact CG-CG1 4.33Å; P66-S107 VanDerWaalsContact CG-O 3.32Å; P66-S107 WeakPolarHBondContact CG-O 3.5Å; P66-D110 WeakPolarHBondContact CD-OD1 3.28Å; P66-D110 WeakPolarHBondContact CG-OD1 3.27Å |
| 67 | T | 92.8 | Very high | 96.1 | Very high | 87 Ų | 87 | 29.6 Ų | 29.6 | 53% | 0.534 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -23.5 | 173.1 | 49 | 0 | 0 | 0 | 0 | 113.6 | S65 E69 D110 | S65-T67 PolarHBondContact O-N 3.32Å; T67-E69 VanDerWaalsContact C-N 3.3Å; T67-D110 WeakPolarHBondContact CB-OD2 3.19Å; T67-D110 WeakPolarHBondContact CG2-OD2 3.22Å; T67-D110 PolarHBondContact N-OD2 3.04Å; T67-D110 PolarHBondContact OG1-OD2 2.88Å |
| 68 | G | 91.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 81.7 | 4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | S65 P66 | S65-G68 WeakPolarHBondContact O-CA 3.4Å; S65-G68 PolarHBondContact O-N 3.26Å; S65-G68 PolarHBondContact OG-N 3.31Å; P66-G68 VanDerWaalsContact C-N 3.34Å |
| 69 | E | 90.4 | Very high | 96.1 | Very high | 139 Ų | 139 | 32.4 Ų | 32.4 | 65% | 0.65 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -82.3 | -22.4 | -178.2 | -63.3 | -170.1 | 163.5 | 0 | 0 | 113.1 | S65 T67 P85 | S65-E69 PolarHBondContact OG-N 3.5Å; T67-E69 VanDerWaalsContact C-N 3.3Å; E69-P85 WeakPolarHBondContact O-CD 3.32Å; E69-P85 WeakPolarHBondContact O-CG 3.31Å |
| 70 | L | 93.2 | Very high | 96 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 28% | 0.277 | 16% | 0.161 | S | C | . | . | trans | -129.5 | 148.7 | -173.8 | -58.7 | 170.3 | 0 | 0 | 0 | 111 | S65 L82 I84 | S65-L70 PolarHBondContact N-O 3.16Å; S65-L70 WeakPolarHBondContact OG-CA 3.44Å; S65-L70 PolarHBondContact OG-N 3.15Å; S65-L70 PolarHBondContact OG-O 3.36Å; L70-L82 HydrophobicContact CB-CD1 3.75Å; L70-L82 HydrophobicContact CD1-CD1 4.08Å; L70-L82 HydrophobicContact CD1-CD2 4.43Å; L70-L82 HydrophobicContact CD2-CD1 4.34Å; L70-L82 HydrophobicContact CD2-CG 4.44Å; L70-L82 HydrophobicContact CG-CD1 4.27Å; L70-I84 HydrophobicContact CD2-CG1 4.05Å | ||
| 71 | I | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.8 | 173.1 | -61.1 | 153.5 | 0 | 0 | 0 | 108.8 | L38 I40 V62 R63 F64 T73 L82 W83 P85 | L38-I71 HydrophobicContact CD1-CG2 4.37Å; L38-I71 HydrophobicContact CD2-CG2 3.91Å; I40-I71 HydrophobicContact CD1-CD1 3.5Å; I40-I71 HydrophobicContact CG1-CD1 4Å; V62-I71 HydrophobicContact CG2-CG2 3.6Å; R63-I71 CarbonylContact O-C 3.53Å; R63-I71 WeakPolarHBondContact O-CA 3.47Å; F64-I71 HydrophobicContact CD1-CD1 4.35Å; F64-I71 HydrophobicContact CD1-CG1 3.52Å; F64-I71 HydrophobicContact CE1-CD1 3.68Å; F64-I71 HydrophobicContact CE1-CG1 3.35Å; F64-I71 HydrophobicContact CG-CG1 4.3Å; F64-I71 HydrophobicContact CZ-CD1 4.11Å; F64-I71 HydrophobicContact CZ-CG1 4.01Å; I71-T73 HydrophobicContact CG2-CG2 4.47Å; I71-L82 CarbonylContact O-C 3.55Å; I71-L82 WeakPolarHBondContact O-CA 3.1Å; I71-W83 HydrophobicContact CB-CB 4.26Å; I71-W83 PolarHBondContact N-O 3.02Å; I71-W83 PolarHBondContact O-N 3.22Å; I71-P85 HydrophobicContact CD1-CB 3.82Å |
| 72 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.2 | 174.4 | -69.1 | 103.3 | 0 | 0 | 0 | 111 | V62 R63 V80 K81 L82 L104 V106 M113 L127 | V62-L72 CarbonylContact C-O 3.55Å; V62-L72 VanDerWaalsContact CA-O 3.29Å; V62-L72 WeakPolarHBondContact CA-O 3.46Å; R63-L72 PolarHBondContact N-O 3.24Å; R63-L72 PolarHBondContact O-N 2.96Å; L72-V80 HydrophobicContact CD2-CG1 4.38Å; L72-K81 CarbonylContact C-O 3.59Å; L72-K81 VanDerWaalsContact CA-O 3.3Å; L72-K81 WeakPolarHBondContact CA-O 3.29Å; L72-L82 HydrophobicContact CD1-CD1 3.78Å; L72-L82 HydrophobicContact CD2-CD1 3.99Å; L72-L82 HydrophobicContact CG-CD1 3.58Å; L72-L104 HydrophobicContact CB-CD1 3.52Å; L72-L104 HydrophobicContact CB-CD2 4.14Å; L72-V106 HydrophobicContact CD1-CG2 3.63Å; L72-M113 HydrophobicContact CD2-SD 3.32Å; L72-M113 WeakPolarHBondContact CD2-SD 3.23Å; L72-L127 HydrophobicContact CD2-CD2 3.66Å |
| 73 | T | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.2 | 175.5 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | L38 H55 V59 C61 V62 I71 V80 K81 W83 | L38-T73 HydrophobicContact CB-CG2 4.33Å; L38-T73 HydrophobicContact CD1-CG2 4.06Å; L38-T73 HydrophobicContact CD2-CG2 3.87Å; L38-T73 HydrophobicContact CG-CG2 4.31Å; H55-T73 PolarHBondContact CD2-OG1 2.8Å; H55-T73 PolarHBondContact NE2-OG1 3.46Å; V59-T73 HydrophobicContact CG1-CG2 4.23Å; C61-T73 VanDerWaalsContact O-CA 3.28Å; C61-T73 WeakPolarHBondContact O-CA 3.39Å; V62-T73 HydrophobicContact CB-CG2 4.37Å; V62-T73 HydrophobicContact CG2-CG2 4.12Å; I71-T73 HydrophobicContact CG2-CG2 4.47Å; T73-V80 CarbonylContact O-C 3.58Å; T73-V80 WeakPolarHBondContact O-CA 3.34Å; T73-V80 WeakPolarHBondContact O-CG1 3.36Å; T73-K81 PolarHBondContact N-O 2.85Å; T73-K81 PolarHBondContact O-N 3.46Å; T73-W83 PolarHBondContact OG1-NE1 2.76Å |
| 74 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V59 F60 C61 V80 V101 L104 | V59-A74 CarbonylContact C-O 3.57Å; V59-A74 WeakPolarHBondContact CG1-O 3.42Å; F60-A74 PolarHBondContact N-O 3.11Å; C61-A74 HydrophobicContact CB-CB 4.3Å; C61-A74 PolarHBondContact N-O 3.47Å; C61-A74 PolarHBondContact O-N 2.93Å; A74-V80 HydrophobicContact CB-CG2 4.21Å; A74-V101 HydrophobicContact CB-CB 3.91Å; A74-V101 HydrophobicContact CB-CG1 3.62Å; A74-L104 HydrophobicContact CB-CB 4.29Å; A74-L104 HydrophobicContact CB-CD2 3.55Å; A74-L104 HydrophobicContact CB-CG 4.43Å |
| 75 | S | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 159 | -172.2 | 171.8 | 0 | 0 | 0 | 0 | 113.3 | H55 D57 A58 D77 K78 T79 V101 | H55-S75 VanDerWaalsContact CE1-CB 3.41Å; H55-S75 WeakPolarHBondContact CE1-CB 3.23Å; H55-S75 WeakPolarHBondContact ND1-CB 3.49Å; D57-S75 PolarHBondContact O-OG 3.21Å; A58-S75 CarbonylContact O-C 3.51Å; A58-S75 VanDerWaalsContact O-CA 3.3Å; A58-S75 WeakPolarHBondContact O-CA 3.48Å; A58-S75 WeakPolarHBondContact O-CB 3.25Å; A58-S75 PolarHBondContact O-OG 3.47Å; S75-D77 VanDerWaalsContact CB-OD1 3.31Å; S75-D77 WeakPolarHBondContact CB-OD1 3.47Å; S75-D77 PolarHBondContact O-N 3.41Å; S75-D77 VanDerWaalsContact OG-CG 3.23Å; S75-D77 PolarHBondContact OG-N 2.96Å; S75-D77 PolarHBondContact OG-OD1 3Å; S75-K78 PolarHBondContact O-N 3.32Å; S75-T79 PolarHBondContact N-O 3.44Å; S75-V101 PolarHBondContact O-N 2.77Å |
| 76 | R | 97.9 | Very high | 94.1 | Very high | 113 Ų | 113 | 39.3 Ų | 39.3 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24 | 166.6 | -173.5 | 175.5 | -92.7 | 169.8 | -0.8 | 112.6 | D57 A58 F60 K78 A100 | D57-R76 HydrophobicContact CB-CB 4Å; D57-R76 HydrophobicContact CB-CG 4.46Å; D57-R76 WeakPolarHBondContact OD1-CD 3.49Å; D57-R76 WeakPolarHBondContact OD2-CD 3.31Å; D57-R76 VanDerWaalsContact OD2-CG 3.28Å; D57-R76 WeakPolarHBondContact OD2-CG 3.33Å; A58-R76 HydrophobicContact CB-CB 4.34Å; A58-R76 PolarHBondContact O-N 2.82Å; F60-R76 HydrophobicContact CD2-CB 4.36Å; F60-R76 HydrophobicContact CE2-CB 3.49Å; F60-R76 VanDerWaalsContact CE2-CB 3.49Å; F60-R76 HydrophobicContact CE2-CG 4.15Å; F60-R76 HydrophobicContact CZ-CB 3.83Å; F60-R76 HydrophobicContact CZ-CG 4.29Å; R76-K78 PolarHBondContact O-N 3.12Å; R76-A100 HydrophobicContact CB-CB 4.44Å; R76-A100 HydrophobicContact CG-CB 4.17Å |
| 77 | D | 97.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 6.4 | 176.6 | 75.1 | 9.9 | 0 | 0 | 0 | 114.7 | H55 K56 D57 S75 T79 | H55-D77 WeakPolarHBondContact CA-OD2 3.4Å; H55-D77 IonicContact CE1-OD1 3.59Å; H55-D77 IonicContact CE1-OD2 3.97Å; H55-D77 IonicContact CG-OD2 2.83Å; H55-D77 IonicContact ND1-OD1 3.78Å; H55-D77 PolarHBondContact ND1-OD1 3.17Å; H55-D77 IonicContact ND1-OD2 2.93Å; H55-D77 PolarHBondContact ND1-OD2 3.31Å; K56-D77 HydrophobicContact CB-CB 4.11Å; K56-D77 PolarHBondContact N-OD2 3.15Å; D57-D77 HydrophobicContact CB-CB 4.04Å; S75-D77 VanDerWaalsContact CB-OD1 3.31Å; S75-D77 WeakPolarHBondContact CB-OD1 3.47Å; S75-D77 PolarHBondContact O-N 3.41Å; S75-D77 VanDerWaalsContact OG-CG 3.23Å; S75-D77 PolarHBondContact OG-N 2.96Å; S75-D77 PolarHBondContact OG-OD1 3Å; D77-T79 VanDerWaalsContact CG-OG1 3.29Å; D77-T79 PolarHBondContact O-N 2.52Å; D77-T79 WeakPolarHBondContact OD1-CA 3.4Å; D77-T79 VanDerWaalsContact OD1-CB 3.3Å; D77-T79 WeakPolarHBondContact OD1-CB 3.35Å; D77-T79 PolarHBondContact OD1-N 2.74Å; D77-T79 PolarHBondContact OD1-OG1 3.42Å; D77-T79 PolarHBondContact OD2-OG1 3.3Å |
| 78 | K | 97.5 | Very high | 92.9 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 47% | 0.47 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 73.1 | 9.5 | 177.2 | -41.6 | 173.4 | 177.2 | -163.8 | 0 | 113.5 | S75 R76 T98 | S75-K78 PolarHBondContact O-N 3.32Å; R76-K78 PolarHBondContact O-N 3.12Å; K78-T98 WeakPolarHBondContact CD-O 3.36Å; K78-T98 WeakPolarHBondContact CE-O 3.49Å; K78-T98 PolarHBondContact NZ-O 3.37Å |
| 79 | T | 97.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 156.6 | -178.9 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | H55 S75 D77 T93 R95 | H55-T79 PolarHBondContact CE1-OG1 2.95Å; H55-T79 PolarHBondContact ND1-OG1 3.42Å; S75-T79 PolarHBondContact N-O 3.44Å; D77-T79 VanDerWaalsContact CG-OG1 3.29Å; D77-T79 PolarHBondContact O-N 2.52Å; D77-T79 WeakPolarHBondContact OD1-CA 3.4Å; D77-T79 VanDerWaalsContact OD1-CB 3.3Å; D77-T79 WeakPolarHBondContact OD1-CB 3.35Å; D77-T79 PolarHBondContact OD1-N 2.74Å; D77-T79 PolarHBondContact OD1-OG1 3.42Å; D77-T79 PolarHBondContact OD2-OG1 3.3Å; T79-T93 HydrophobicContact CG2-CG2 3.91Å; T79-R95 HydrophobicContact CG2-CG 4.12Å |
| 80 | V | 97.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135 | 164.8 | 175.2 | 0 | 0 | 0 | 0 | 107.4 | L72 T73 A74 F94 V101 M113 T115 | L72-V80 HydrophobicContact CD2-CG1 4.38Å; T73-V80 CarbonylContact O-C 3.58Å; T73-V80 WeakPolarHBondContact O-CA 3.34Å; T73-V80 WeakPolarHBondContact O-CG1 3.36Å; A74-V80 HydrophobicContact CB-CG2 4.21Å; V80-F94 HydrophobicContact CB-CB 4.18Å; V80-F94 PolarHBondContact N-O 3.01Å; V80-F94 VanDerWaalsContact N-O 3.17Å; V80-F94 PolarHBondContact O-N 3.19Å; V80-V101 HydrophobicContact CG2-CB 4.26Å; V80-V101 HydrophobicContact CG2-CG1 3.79Å; V80-V101 HydrophobicContact CG2-CG2 4.21Å; V80-M113 HydrophobicContact CG1-CE 4.37Å; V80-M113 HydrophobicContact CG1-SD 4.18Å; V80-T115 HydrophobicContact CG2-CG2 3.81Å |
| 81 | K | 96 | Very high | 92.1 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.3 | 176 | -74.4 | 177.7 | 177.4 | -77.7 | 0 | 110.5 | G54 L72 T73 W83 I92 T93 | G54-K81 WeakPolarHBondContact O-CE 3.29Å; L72-K81 CarbonylContact C-O 3.59Å; L72-K81 VanDerWaalsContact CA-O 3.3Å; L72-K81 WeakPolarHBondContact CA-O 3.29Å; T73-K81 PolarHBondContact N-O 2.85Å; T73-K81 PolarHBondContact O-N 3.46Å; K81-W83 HydrophobicContact CB-CZ2 4.05Å; K81-W83 HydrophobicContact CD-CH2 4.09Å; K81-W83 HydrophobicContact CD-CZ2 3.49Å; K81-W83 VanDerWaalsContact CD-CZ2 3.49Å; K81-W83 HydrophobicContact CG-CZ2 4.44Å; K81-I92 CarbonylContact C-O 3.53Å; K81-I92 VanDerWaalsContact CA-O 3.27Å; K81-I92 WeakPolarHBondContact CA-O 3.23Å; K81-T93 HydrophobicContact CG-CG2 4.32Å; K81-T93 PolarHBondContact NZ-OG1 2.9Å |
| 82 | L | 95.6 | Very high | 92 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.7 | 169.9 | 177.7 | 72.9 | 0 | 0 | 0 | 107.6 | L70 I71 L72 S91 I92 F94 | L70-L82 HydrophobicContact CB-CD1 3.75Å; L70-L82 HydrophobicContact CD1-CD1 4.08Å; L70-L82 HydrophobicContact CD1-CD2 4.43Å; L70-L82 HydrophobicContact CD2-CD1 4.34Å; L70-L82 HydrophobicContact CD2-CG 4.44Å; L70-L82 HydrophobicContact CG-CD1 4.27Å; I71-L82 CarbonylContact O-C 3.55Å; I71-L82 WeakPolarHBondContact O-CA 3.1Å; L72-L82 HydrophobicContact CD1-CD1 3.78Å; L72-L82 HydrophobicContact CD2-CD1 3.99Å; L72-L82 HydrophobicContact CG-CD1 3.58Å; L82-S91 CarbonylContact O-C 3.55Å; L82-S91 WeakPolarHBondContact O-CA 3.48Å; L82-S91 WeakPolarHBondContact O-CB 3.44Å; L82-I92 HydrophobicContact CB-CB 4.44Å; L82-I92 PolarHBondContact N-O 2.91Å; L82-I92 PolarHBondContact O-N 3.24Å; L82-F94 HydrophobicContact CB-CE2 3.8Å; L82-F94 HydrophobicContact CD2-CE2 4.4Å |
| 83 | W | 94.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.6 | -176.8 | -54 | 83.4 | 0 | 0 | 0 | 109.7 | L38 F52 I71 T73 K81 G89 | L38-W83 HydrophobicContact CD2-CD2 4.22Å; L38-W83 HydrophobicContact CD2-CG 4Å; F52-W83 HydrophobicContact CB-CE3 4.03Å; F52-W83 HydrophobicContact CB-CH2 4.25Å; F52-W83 HydrophobicContact CB-CZ3 3.85Å; F52-W83 HydrophobicContact CG-CE3 4.3Å; F52-W83 HydrophobicContact CG-CZ3 4.49Å; I71-W83 HydrophobicContact CB-CB 4.26Å; I71-W83 PolarHBondContact N-O 3.02Å; I71-W83 PolarHBondContact O-N 3.22Å; T73-W83 PolarHBondContact OG1-NE1 2.76Å; K81-W83 HydrophobicContact CB-CZ2 4.05Å; K81-W83 HydrophobicContact CD-CH2 4.09Å; K81-W83 HydrophobicContact CD-CZ2 3.49Å; K81-W83 VanDerWaalsContact CD-CZ2 3.49Å; K81-W83 HydrophobicContact CG-CZ2 4.44Å; W83-G89 WeakPolarHBondContact CZ3-O 3.41Å |
| 84 | I | 90.4 | Very high | 91.8 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | trans | -91 | 122.1 | 164.3 | -59.6 | 171.9 | 0 | 0 | 0 | 106.2 | L70 S86 E90 | L70-I84 HydrophobicContact CD2-CG1 4.05Å; I84-S86 PolarHBondContact O-N 2.67Å; I84-S86 PolarHBondContact O-OG 2.94Å; I84-E90 PolarHBondContact N-O 2.96Å | ||
| 85 | P | 82.8 | Confident | 91.6 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | trans | -69.1 | 69.3 | -179 | 29.8 | -33.7 | 0 | 0 | 0 | 110.8 | E69 I71 | E69-P85 WeakPolarHBondContact O-CD 3.32Å; E69-P85 WeakPolarHBondContact O-CG 3.31Å; I71-P85 HydrophobicContact CD1-CB 3.82Å | ||
| 86 | S | 82 | Confident | 91.3 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -123.2 | 158.8 | 179.4 | 69.2 | 0 | 0 | 0 | 0 | 109.1 | F52 I84 K88 G89 | F52-S86 WeakPolarHBondContact CE1-O 3.42Å; F52-S86 VanDerWaalsContact CZ-O 3.3Å; F52-S86 WeakPolarHBondContact CZ-O 3.48Å; I84-S86 PolarHBondContact O-N 2.67Å; I84-S86 PolarHBondContact O-OG 2.94Å; S86-K88 PolarHBondContact O-N 3.13Å; S86-K88 VanDerWaalsContact O-N 3.08Å; S86-G89 PolarHBondContact O-N 3.47Å |
| 87 | I | 79.2 | Confident | 91.2 | Very high | 143 Ų | 143 | 57.6 Ų | 57.6 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.2 | 179.5 | -60.7 | 169.8 | 0 | 0 | 0 | 111.6 | Y50 | Y50-I87 HydrophobicContact CE1-CG1 3.95Š|
| 88 | K | 80.9 | Confident | 91.2 | Very high | 171 Ų | 171 | 61 Ų | 61 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -24.4 | -179.6 | -65.7 | -175.9 | 179.2 | 179.3 | 0 | 113.7 | S86 E90 | S86-K88 PolarHBondContact O-N 3.13Å; S86-K88 VanDerWaalsContact O-N 3.08Å; K88-E90 VanDerWaalsContact C-N 3.34Å; K88-E90 HydrophobicContact CB-CG 4.07Å; K88-E90 WeakPolarHBondContact CD-OE1 3.33Å; K88-E90 PolarHBondContact O-N 3.22Å |
| 89 | G | 80.4 | Confident | 91.2 | Very high | 15 Ų | 15 | 57 Ų | 57 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | trans | 64.1 | 36 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W83 S86 S91 | W83-G89 WeakPolarHBondContact CZ3-O 3.41Å; S86-G89 PolarHBondContact O-N 3.47Å; G89-S91 PolarHBondContact O-N 3.44Å | ||
| 90 | E | 87.5 | Confident | 91.2 | Very high | 104 Ų | 104 | 57 Ų | 57 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | trans | -62 | 133.6 | 177 | -67.1 | 177.9 | -172.7 | 0 | 0 | 110.2 | I84 K88 | I84-E90 PolarHBondContact N-O 2.96Å; K88-E90 VanDerWaalsContact C-N 3.34Å; K88-E90 HydrophobicContact CB-CG 4.07Å; K88-E90 WeakPolarHBondContact CD-OE1 3.33Å; K88-E90 PolarHBondContact O-N 3.22Å | ||
| 91 | S | 91.7 | Very high | 91.3 | Very high | 43 Ų | 43 | 57 Ų | 57 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.9 | 179.1 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | L82 G89 | L82-S91 CarbonylContact O-C 3.55Å; L82-S91 WeakPolarHBondContact O-CA 3.48Å; L82-S91 WeakPolarHBondContact O-CB 3.44Å; G89-S91 PolarHBondContact O-N 3.44Å |
| 92 | I | 93.5 | Very high | 91.3 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.2 | 172 | -58.2 | 177.4 | 0 | 0 | 0 | 107.6 | K81 L82 F94 | K81-I92 CarbonylContact C-O 3.53Å; K81-I92 VanDerWaalsContact CA-O 3.27Å; K81-I92 WeakPolarHBondContact CA-O 3.23Å; L82-I92 HydrophobicContact CB-CB 4.44Å; L82-I92 PolarHBondContact N-O 2.91Å; L82-I92 PolarHBondContact O-N 3.24Å; I92-F94 HydrophobicContact CG2-CE2 4.42Å |
| 93 | T | 95.2 | Very high | 91.5 | Very high | 50 Ų | 50 | 59 Ų | 59 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.9 | -174.7 | -52.7 | 0 | 0 | 0 | 0 | 111 | T79 K81 R95 | T79-T93 HydrophobicContact CG2-CG2 3.91Å; K81-T93 HydrophobicContact CG-CG2 4.32Å; K81-T93 PolarHBondContact NZ-OG1 2.9Å; T93-R95 HydrophobicContact CG2-CG 4.12Å |
| 94 | F | 94.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.5 | 172.4 | -65.4 | -95.7 | 0 | 0 | 0 | 110.2 | V80 L82 I92 M113 W125 Q130 | V80-F94 HydrophobicContact CB-CB 4.18Å; V80-F94 PolarHBondContact N-O 3.01Å; V80-F94 VanDerWaalsContact N-O 3.17Å; V80-F94 PolarHBondContact O-N 3.19Å; L82-F94 HydrophobicContact CB-CE2 3.8Å; L82-F94 HydrophobicContact CD2-CE2 4.4Å; I92-F94 HydrophobicContact CG2-CE2 4.42Å; F94-M113 HydrophobicContact CB-CE 4.14Å; F94-M113 HydrophobicContact CD1-CE 3.5Å; F94-M113 HydrophobicContact CD2-CE 3.84Å; F94-M113 HydrophobicContact CE1-CE 3.73Å; F94-M113 HydrophobicContact CE2-CE 4.08Å; F94-M113 HydrophobicContact CG-CE 3.55Å; F94-M113 HydrophobicContact CZ-CE 4.02Å; F94-W125 HydrophobicContact CB-CH2 4.32Å; F94-W125 HydrophobicContact CB-CZ3 4.21Å; F94-W125 AromaticContact CD1-CE3 3.99Å; F94-W125 HydrophobicContact CD1-CE3 3.99Å; F94-W125 HydrophobicContact CD1-CZ3 4.25Å; F94-Q130 HydrophobicContact CE1-CB 4.01Å; F94-Q130 HydrophobicContact CZ-CB 4.08Å; F94-Q130 HydrophobicContact CZ-CG 4.16Å |
| 95 | R | 94.3 | Very high | 91.9 | Very high | 196 Ų | 196 | 55.9 Ų | 55.9 | 74% | 0.74 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.5 | -179.7 | -61.4 | -176.1 | -177.5 | 173.1 | 3.8 | 110 | T79 T93 | T79-R95 HydrophobicContact CG2-CG 4.12Å; T93-R95 HydrophobicContact CG2-CG 4.12Å |
| 96 | A | 91.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | trans | -156.9 | -15.5 | 167 | 0 | 0 | 0 | 0 | 0 | 113.7 | K123 W125 F132 | A96-K123 HydrophobicContact CB-CD 4.06Å; A96-K123 PolarHBondContact O-NZ 2.85Å; A96-W125 HydrophobicContact CB-CH2 3.06Å; A96-W125 HydrophobicContact CB-CZ2 3.78Å; A96-W125 HydrophobicContact CB-CZ3 3.71Å; A96-F132 HydrophobicContact CB-CD2 4.32Å | ||
| 97 | H | 96 | Very high | 93.3 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.069 | 27% | 0.268 | C | S | . | . | trans | -77.3 | 146.3 | 172.7 | -78 | -66 | 0 | 0 | 0 | 111 | V101 T115 S117 D119 S121 K123 | H97-V101 HydrophobicContact CB-CG2 3.84Å; H97-T115 PolarHBondContact CD2-OG1 2.76Å; H97-T115 WeakPolarHBondContact NE2-CB 3.09Å; H97-T115 PolarHBondContact NE2-O 3.01Å; H97-T115 PolarHBondContact NE2-OG1 2.83Å; H97-S117 WeakPolarHBondContact CE1-CB 3.42Å; H97-S117 WeakPolarHBondContact ND1-CB 3.17Å; H97-D119 VanDerWaalsContact CA-OD2 3.29Å; H97-D119 WeakPolarHBondContact CA-OD2 3.33Å; H97-D119 WeakPolarHBondContact CB-OD2 3.5Å; H97-D119 IonicContact CE1-OD1 3.47Å; H97-D119 IonicContact CE1-OD2 3.9Å; H97-D119 IonicContact CG-OD2 3.28Å; H97-D119 IonicContact ND1-OD1 3.69Å; H97-D119 PolarHBondContact ND1-OD1 3.44Å; H97-D119 IonicContact ND1-OD2 3.57Å; H97-D119 PolarHBondContact ND1-OD2 2.97Å; H97-S121 PolarHBondContact CE1-OG 2.94Å; H97-S121 PolarHBondContact ND1-OG 3.37Å; H97-K123 VanDerWaalsContact CE1-CG 3.43Å; H97-K123 WeakPolarHBondContact CE1-CG 3.49Å | ||
| 98 | T | 96.7 | Very high | 94 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -97.6 | -9.7 | -179.7 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | K78 D119 | K78-T98 WeakPolarHBondContact CD-O 3.36Å; K78-T98 WeakPolarHBondContact CE-O 3.49Å; K78-T98 PolarHBondContact NZ-O 3.37Å; T98-D119 PolarHBondContact N-OD2 3.04Å; T98-D119 WeakPolarHBondContact OG1-CB 3.36Å |
| 99 | A | 97.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -138.2 | 179.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V101 S117 A118 D119 | A99-V101 PolarHBondContact O-N 2.88Å; A99-S117 PolarHBondContact O-OG 2.82Å; A99-S117 VanDerWaalsContact O-OG 3.08Å; A99-A118 HydrophobicContact CB-CB 3.95Å; A99-D119 HydrophobicContact CB-CB 3.95Å |
| 100 | A | 97.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | trans | -51.7 | 130.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F60 R76 S117 A118 | F60-A100 HydrophobicContact CE2-CB 4.12Å; R76-A100 HydrophobicContact CB-CB 4.44Å; R76-A100 HydrophobicContact CG-CB 4.17Å; A100-S117 VanDerWaalsContact O-CA 3.3Å; A100-S117 WeakPolarHBondContact O-CA 3.36Å; A100-S117 WeakPolarHBondContact O-CB 3.26Å; A100-S117 PolarHBondContact O-OG 3.12Å; A100-A118 HydrophobicContact CB-CB 4.38Å; A100-A118 PolarHBondContact O-N 2.86Å | ||
| 101 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.2 | 175.9 | -168.5 | 0 | 0 | 0 | 0 | 108.2 | F60 A74 S75 V80 H97 A99 A116 | F60-V101 WeakPolarHBondContact CD2-O 3.27Å; A74-V101 HydrophobicContact CB-CB 3.91Å; A74-V101 HydrophobicContact CB-CG1 3.62Å; S75-V101 PolarHBondContact O-N 2.77Å; V80-V101 HydrophobicContact CG2-CB 4.26Å; V80-V101 HydrophobicContact CG2-CG1 3.79Å; V80-V101 HydrophobicContact CG2-CG2 4.21Å; H97-V101 HydrophobicContact CB-CG2 3.84Å; A99-V101 PolarHBondContact O-N 2.88Å; V101-A116 CarbonylContact C-O 3.51Å; V101-A116 WeakPolarHBondContact CG1-O 3.16Å |
| 102 | R | 97.7 | Very high | 95.7 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -32.6 | -169.3 | -68.5 | -77.9 | -98.5 | 162 | -3.4 | 112.5 | F60 A116 | F60-R102 WeakPolarHBondContact CB-O 3.39Å; R102-A116 PolarHBondContact N-O 2.88Å |
| 103 | W | 98.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.9 | -176.7 | -151.4 | -94.5 | 0 | 0 | 0 | 111.5 | C19 C61 T115 A116 C145 H187 K229 | C19-W103 HydrophobicContact CB-CH2 4.43Å; C19-W103 VanDerWaalsContact SG-CH2 3.59Å; C61-W103 HydrophobicContact CB-CD2 4.26Å; C61-W103 HydrophobicContact CB-CE3 4.03Å; C61-W103 HydrophobicContact CB-CZ3 4.28Å; W103-T115 WeakPolarHBondContact O-CA 3.49Å; W103-A116 HydrophobicContact CB-CB 4.08Å; W103-A116 PolarHBondContact N-O 2.93Å; W103-A116 PolarHBondContact O-N 3.23Å; W103-C145 HydrophobicContact CG-CB 4.32Å; W103-H187 AromaticContact CE2-CD2 3.74Å; W103-H187 AromaticContact CE2-NE2 3.5Å; W103-H187 AromaticContact CH2-CD2 3.66Å; W103-H187 AromaticContact CH2-NE2 3.57Å; W103-H187 AromaticContact CZ2-CD2 3.49Å; W103-H187 VanDerWaalsContact CZ2-CD2 3.49Å; W103-H187 WeakPolarHBondContact CZ2-CD2 3.5Å; W103-H187 AromaticContact CZ2-NE2 3.04Å; W103-H187 WeakPolarHBondContact CZ2-NE2 3.33Å; W103-K229 HydrophobicContact CH2-CD 3.77Å; W103-K229 HydrophobicContact CZ3-CD 4.3Å |
| 104 | L | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 153.7 | 174.2 | 74.9 | 96.7 | 0 | 0 | 0 | 110.2 | C61 R63 L72 A74 C114 T115 | C61-L104 HydrophobicContact CB-CD2 4.26Å; C61-L104 HydrophobicContact CB-CG 4.38Å; R63-L104 HydrophobicContact CB-CD1 3.58Å; R63-L104 HydrophobicContact CG-CD1 3.62Å; R63-L104 HydrophobicContact CG-CG 4.26Å; L72-L104 HydrophobicContact CB-CD1 3.52Å; L72-L104 HydrophobicContact CB-CD2 4.14Å; A74-L104 HydrophobicContact CB-CB 4.29Å; A74-L104 HydrophobicContact CB-CD2 3.55Å; A74-L104 HydrophobicContact CB-CG 4.43Å; L104-C114 CarbonylContact C-O 3.55Å; L104-C114 VanDerWaalsContact CA-O 3.28Å; L104-C114 WeakPolarHBondContact CA-O 3.33Å; L104-T115 HydrophobicContact CB-CG2 4.31Å |
| 105 | D | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156.2 | 173.4 | -148.1 | 38.3 | 0 | 0 | 0 | 111 | M113 C114 R147 F148 | D105-M113 CarbonylContact O-C 3.58Å; D105-M113 VanDerWaalsContact O-CA 3.23Å; D105-M113 WeakPolarHBondContact O-CA 3.32Å; D105-M113 WeakPolarHBondContact O-CB 3.21Å; D105-C114 PolarHBondContact N-O 3.41Å; D105-C114 PolarHBondContact O-N 2.85Å; D105-R147 VanDerWaalsContact CG-CD 3.49Å; D105-R147 IonicContact OD1-CZ 3.55Å; D105-R147 IonicContact OD1-NH1 3.8Å; D105-R147 PolarHBondContact OD1-NH1 2.88Å; D105-R147 VanDerWaalsContact OD2-CA 3.27Å; D105-R147 WeakPolarHBondContact OD2-CA 3.43Å; D105-R147 VanDerWaalsContact OD2-CD 3.26Å; D105-R147 WeakPolarHBondContact OD2-CD 3.03Å; D105-F148 HydrophobicContact CB-CD2 4.24Å; D105-F148 PolarHBondContact OD2-N 3.39Å |
| 106 | V | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.1 | -177.5 | -175 | 0 | 0 | 0 | 0 | 109 | P66 L72 D110 L127 | P66-V106 HydrophobicContact CG-CG1 4.33Å; L72-V106 HydrophobicContact CD1-CG2 3.63Å; V106-D110 WeakPolarHBondContact CG1-OD1 3.19Å; V106-L127 HydrophobicContact CG1-CD1 3.56Å |
| 107 | S | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -68.5 | 153.2 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | P66 D109 D110 S111 R112 | P66-S107 VanDerWaalsContact CG-O 3.32Å; P66-S107 WeakPolarHBondContact CG-O 3.5Å; S107-D109 VanDerWaalsContact CB-OD1 3.23Å; S107-D109 WeakPolarHBondContact CB-OD1 3.49Å; S107-D109 PolarHBondContact O-N 3.25Å; S107-D109 VanDerWaalsContact O-N 3.1Å; S107-D109 PolarHBondContact OG-OD1 2.93Å; S107-D110 PolarHBondContact O-N 2.94Å; S107-S111 PolarHBondContact OG-N 3.04Å; S107-R112 PolarHBondContact N-O 3.14Å; S107-R112 WeakPolarHBondContact OG-CA 3.23Å; S107-R112 PolarHBondContact OG-N 2.77Å; S107-R112 PolarHBondContact OG-O 2.9Å | ||
| 108 | A | 93.8 | Very high | 96.8 | Very high | 62 Ų | 62 | 28.2 Ų | 28.2 | 51% | 0.512 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S152 | A108-S152 WeakPolarHBondContact CB-OG 3.37Å; A108-S152 PolarHBondContact N-OG 2.92Å |
| 109 | D | 93 | Very high | 96.8 | Very high | 102 Ų | 102 | 24.9 Ų | 24.9 | 55% | 0.545 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5.4 | 178 | 69.5 | -13.9 | 0 | 0 | 0 | 114 | S107 S111 | S107-D109 VanDerWaalsContact CB-OD1 3.23Å; S107-D109 WeakPolarHBondContact CB-OD1 3.49Å; S107-D109 PolarHBondContact O-N 3.25Å; S107-D109 VanDerWaalsContact O-N 3.1Å; S107-D109 PolarHBondContact OG-OD1 2.93Å; D109-S111 PolarHBondContact O-N 3.47Å; D109-S111 WeakPolarHBondContact OD1-CB 3.27Å; D109-S111 PolarHBondContact OD1-N 3.19Å; D109-S111 PolarHBondContact OD1-OG 2.86Å; D109-S111 VanDerWaalsContact OD2-CB 3.25Å; D109-S111 WeakPolarHBondContact OD2-CB 3.26Å; D109-S111 PolarHBondContact OD2-OG 2.87Å |
| 110 | D | 92.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 56.7 | 14.1 | -175.2 | -84.9 | -34.5 | 0 | 0 | 0 | 115.2 | S65 P66 T67 V106 S107 L127 | S65-D110 WeakPolarHBondContact CA-OD1 3.3Å; S65-D110 WeakPolarHBondContact CB-OD1 3.38Å; P66-D110 WeakPolarHBondContact CD-OD1 3.28Å; P66-D110 WeakPolarHBondContact CG-OD1 3.27Å; T67-D110 WeakPolarHBondContact CB-OD2 3.19Å; T67-D110 WeakPolarHBondContact CG2-OD2 3.22Å; T67-D110 PolarHBondContact N-OD2 3.04Å; T67-D110 PolarHBondContact OG1-OD2 2.88Å; V106-D110 WeakPolarHBondContact CG1-OD1 3.19Å; S107-D110 PolarHBondContact O-N 2.94Å; D110-L127 WeakPolarHBondContact O-CD1 3.41Å |
| 111 | S | 94.6 | Very high | 96.8 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 26% | 0.259 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -88.3 | -30.9 | -175.2 | 81.2 | 0 | 0 | 0 | 0 | 113.1 | S107 D109 S126 L127 | S107-S111 PolarHBondContact OG-N 3.04Å; D109-S111 PolarHBondContact O-N 3.47Å; D109-S111 WeakPolarHBondContact OD1-CB 3.27Å; D109-S111 PolarHBondContact OD1-N 3.19Å; D109-S111 PolarHBondContact OD1-OG 2.86Å; D109-S111 VanDerWaalsContact OD2-CB 3.25Å; D109-S111 WeakPolarHBondContact OD2-CB 3.26Å; D109-S111 PolarHBondContact OD2-OG 2.87Å; S111-S126 WeakPolarHBondContact O-CA 3.14Å; S111-L127 PolarHBondContact O-N 2.63Å |
| 112 | R | 96 | Very high | 96.8 | Very high | 94 Ų | 94 | 27.8 Ų | 27.8 | 36% | 0.355 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 154.8 | -173.7 | -64.1 | 172.8 | -168.8 | -173.3 | 1.5 | 111.6 | S107 W125 L127 L133 F148 | S107-R112 PolarHBondContact N-O 3.14Å; S107-R112 WeakPolarHBondContact OG-CA 3.23Å; S107-R112 PolarHBondContact OG-N 2.77Å; S107-R112 PolarHBondContact OG-O 2.9Å; R112-W125 CarbonylContact C-O 3.58Å; R112-W125 WeakPolarHBondContact CA-O 3.19Å; R112-L127 WeakPolarHBondContact O-CD1 3.42Å; R112-L133 HydrophobicContact CG-CD1 4.32Å; R112-F148 HydrophobicContact CB-CZ 4.18Å |
| 113 | M | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.6 | 165 | 62.8 | 170.4 | -176.4 | 0 | 0 | 110.2 | L72 V80 F94 D105 T115 V124 W125 L127 | L72-M113 HydrophobicContact CD2-SD 3.32Å; L72-M113 WeakPolarHBondContact CD2-SD 3.23Å; V80-M113 HydrophobicContact CG1-CE 4.37Å; V80-M113 HydrophobicContact CG1-SD 4.18Å; F94-M113 HydrophobicContact CB-CE 4.14Å; F94-M113 HydrophobicContact CD1-CE 3.5Å; F94-M113 HydrophobicContact CD2-CE 3.84Å; F94-M113 HydrophobicContact CE1-CE 3.73Å; F94-M113 HydrophobicContact CE2-CE 4.08Å; F94-M113 HydrophobicContact CG-CE 3.55Å; F94-M113 HydrophobicContact CZ-CE 4.02Å; D105-M113 CarbonylContact O-C 3.58Å; D105-M113 VanDerWaalsContact O-CA 3.23Å; D105-M113 WeakPolarHBondContact O-CA 3.32Å; D105-M113 WeakPolarHBondContact O-CB 3.21Å; M113-T115 HydrophobicContact SD-CG2 4.47Å; M113-V124 WeakPolarHBondContact O-CA 3.44Å; M113-W125 HydrophobicContact CE-CB 3.55Å; M113-W125 HydrophobicContact CE-CD2 3.79Å; M113-W125 HydrophobicContact CE-CE3 4.35Å; M113-W125 HydrophobicContact CE-CG 3.41Å; M113-W125 VanDerWaalsContact CE-CG 3.41Å; M113-W125 HydrophobicContact CG-CB 3.65Å; M113-W125 HydrophobicContact CG-CG 3.96Å; M113-W125 PolarHBondContact N-O 2.57Å; M113-W125 PolarHBondContact O-N 3.33Å; M113-W125 HydrophobicContact SD-CB 4.45Å; M113-W125 HydrophobicContact SD-CG 4.47Å; M113-L127 HydrophobicContact CB-CD1 4.22Å; M113-L127 HydrophobicContact CB-CD2 3.89Å; M113-L127 HydrophobicContact CB-CG 4.02Å; M113-L127 HydrophobicContact CE-CD2 4.47Å; M113-L127 HydrophobicContact CG-CD2 3.66Å; M113-L127 HydrophobicContact CG-CG 4.07Å; M113-L127 HydrophobicContact SD-CD2 3.61Å |
| 114 | C | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.2 | 169.8 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | L104 D105 V122 K123 V124 F148 I155 | L104-C114 CarbonylContact C-O 3.55Å; L104-C114 VanDerWaalsContact CA-O 3.28Å; L104-C114 WeakPolarHBondContact CA-O 3.33Å; D105-C114 PolarHBondContact N-O 3.41Å; D105-C114 PolarHBondContact O-N 2.85Å; C114-V122 HydrophobicContact CB-CG1 4.31Å; C114-K123 CarbonylContact C-O 3.59Å; C114-K123 VanDerWaalsContact CA-O 3.3Å; C114-K123 WeakPolarHBondContact CA-O 3.48Å; C114-V124 HydrophobicContact CB-CG2 4.39Å; C114-F148 HydrophobicContact CB-CD2 4.43Å; C114-F148 HydrophobicContact CB-CE2 3.7Å; C114-F148 HydrophobicContact CB-CZ 3.76Å; C114-F148 VanDerWaalsContact N-CE2 3.35Å; C114-F148 VanDerWaalsContact SG-CE2 3.58Å; C114-I155 HydrophobicContact CB-CD1 3.92Å |
| 115 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.1 | -175.8 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | V80 H97 W103 L104 M113 V122 K123 W125 | V80-T115 HydrophobicContact CG2-CG2 3.81Å; H97-T115 PolarHBondContact CD2-OG1 2.76Å; H97-T115 WeakPolarHBondContact NE2-CB 3.09Å; H97-T115 PolarHBondContact NE2-O 3.01Å; H97-T115 PolarHBondContact NE2-OG1 2.83Å; W103-T115 WeakPolarHBondContact O-CA 3.49Å; L104-T115 HydrophobicContact CB-CG2 4.31Å; M113-T115 HydrophobicContact SD-CG2 4.47Å; T115-V122 CarbonylContact O-C 3.5Å; T115-V122 VanDerWaalsContact O-CA 3.24Å; T115-V122 WeakPolarHBondContact O-CA 3.33Å; T115-K123 PolarHBondContact N-O 2.99Å; T115-K123 PolarHBondContact O-N 3.3Å; T115-K123 PolarHBondContact OG1-O 3.39Å; T115-W125 PolarHBondContact OG1-NE1 3.3Å |
| 116 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V101 R102 W103 V143 C146 | V101-A116 CarbonylContact C-O 3.51Å; V101-A116 WeakPolarHBondContact CG1-O 3.16Å; R102-A116 PolarHBondContact N-O 2.88Å; W103-A116 HydrophobicContact CB-CB 4.08Å; W103-A116 PolarHBondContact N-O 2.93Å; W103-A116 PolarHBondContact O-N 3.23Å; A116-V143 HydrophobicContact CB-CB 4Å; A116-V143 HydrophobicContact CB-CG1 3.58Å; A116-C146 HydrophobicContact CB-CB 3.91Å; A116-C146 PolarHBondContact N-SG 2.89Å |
| 117 | S | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.9 | -175.7 | 177.3 | 0 | 0 | 0 | 0 | 113.9 | H97 A99 A100 D119 K120 S121 V143 | H97-S117 WeakPolarHBondContact CE1-CB 3.42Å; H97-S117 WeakPolarHBondContact ND1-CB 3.17Å; A99-S117 PolarHBondContact O-OG 2.82Å; A99-S117 VanDerWaalsContact O-OG 3.08Å; A100-S117 VanDerWaalsContact O-CA 3.3Å; A100-S117 WeakPolarHBondContact O-CA 3.36Å; A100-S117 WeakPolarHBondContact O-CB 3.26Å; A100-S117 PolarHBondContact O-OG 3.12Å; S117-D119 VanDerWaalsContact CB-OD1 3.26Å; S117-D119 WeakPolarHBondContact CB-OD1 2.97Å; S117-D119 PolarHBondContact O-N 3.04Å; S117-D119 PolarHBondContact OG-N 2.93Å; S117-D119 VanDerWaalsContact OG-N 3.14Å; S117-D119 PolarHBondContact OG-OD1 2.53Å; S117-K120 PolarHBondContact O-N 3.01Å; S117-S121 PolarHBondContact N-O 2.83Å; S117-V143 PolarHBondContact O-N 2.89Å; S117-V143 VanDerWaalsContact O-N 3.11Å |
| 118 | A | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A99 A100 K120 W142 | A99-A118 HydrophobicContact CB-CB 3.95Å; A100-A118 HydrophobicContact CB-CB 4.38Å; A100-A118 PolarHBondContact O-N 2.86Å; A118-K120 PolarHBondContact O-N 2.98Å; A118-W142 HydrophobicContact CB-CB 4.36Å; A118-W142 HydrophobicContact CB-CD2 4.21Å; A118-W142 HydrophobicContact CB-CG 3.91Å; A118-W142 PolarHBondContact O-NE1 2.95Å |
| 119 | D | 97.5 | Very high | 96 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 10.1 | 169.9 | 70.7 | 9.6 | 0 | 0 | 0 | 113.4 | H97 T98 A99 S117 S121 | H97-D119 VanDerWaalsContact CA-OD2 3.29Å; H97-D119 WeakPolarHBondContact CA-OD2 3.33Å; H97-D119 WeakPolarHBondContact CB-OD2 3.5Å; H97-D119 IonicContact CE1-OD1 3.47Å; H97-D119 IonicContact CE1-OD2 3.9Å; H97-D119 IonicContact CG-OD2 3.28Å; H97-D119 IonicContact ND1-OD1 3.69Å; H97-D119 PolarHBondContact ND1-OD1 3.44Å; H97-D119 IonicContact ND1-OD2 3.57Å; H97-D119 PolarHBondContact ND1-OD2 2.97Å; T98-D119 PolarHBondContact N-OD2 3.04Å; T98-D119 WeakPolarHBondContact OG1-CB 3.36Å; A99-D119 HydrophobicContact CB-CB 3.95Å; S117-D119 VanDerWaalsContact CB-OD1 3.26Å; S117-D119 WeakPolarHBondContact CB-OD1 2.97Å; S117-D119 PolarHBondContact O-N 3.04Å; S117-D119 PolarHBondContact OG-N 2.93Å; S117-D119 VanDerWaalsContact OG-N 3.14Å; S117-D119 PolarHBondContact OG-OD1 2.53Å; D119-S121 PolarHBondContact O-N 3.11Å; D119-S121 WeakPolarHBondContact OD1-CB 3.15Å; D119-S121 PolarHBondContact OD1-N 3.38Å; D119-S121 VanDerWaalsContact OD1-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 2.64Å |
| 120 | K | 97.9 | Very high | 96 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 71.8 | 11 | 176.3 | -42 | 173.8 | 177.1 | -163.1 | 0 | 113.9 | S117 A118 V140 N141 | S117-K120 PolarHBondContact O-N 3.01Å; A118-K120 PolarHBondContact O-N 2.98Å; K120-V140 WeakPolarHBondContact CD-O 3.22Å; K120-V140 WeakPolarHBondContact CE-O 3.12Å; K120-V140 PolarHBondContact NZ-O 2.91Å; K120-N141 WeakPolarHBondContact CA-O 3.3Å; K120-N141 WeakPolarHBondContact CB-O 3.41Å |
| 121 | S | 97.7 | Very high | 96 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | trans | -113.5 | 151.3 | 179.5 | 73 | 0 | 0 | 0 | 0 | 112.9 | H97 S117 D119 K123 N137 | H97-S121 PolarHBondContact CE1-OG 2.94Å; H97-S121 PolarHBondContact ND1-OG 3.37Å; S117-S121 PolarHBondContact N-O 2.83Å; D119-S121 PolarHBondContact O-N 3.11Å; D119-S121 WeakPolarHBondContact OD1-CB 3.15Å; D119-S121 PolarHBondContact OD1-N 3.38Å; D119-S121 VanDerWaalsContact OD1-N 3.1Å; D119-S121 PolarHBondContact OD1-OG 2.64Å; S121-K123 WeakPolarHBondContact OG-CE 3.48Å; S121-N137 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 122 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125 | 157.6 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | C114 T115 L136 V143 C146 I155 | C114-V122 HydrophobicContact CB-CG1 4.31Å; T115-V122 CarbonylContact O-C 3.5Å; T115-V122 VanDerWaalsContact O-CA 3.24Å; T115-V122 WeakPolarHBondContact O-CA 3.33Å; V122-L136 HydrophobicContact CB-CB 4.18Å; V122-L136 HydrophobicContact CB-CD1 4.33Å; V122-L136 HydrophobicContact CG1-CD1 4.29Å; V122-L136 PolarHBondContact N-O 2.86Å; V122-L136 PolarHBondContact O-N 2.84Å; V122-V143 HydrophobicContact CG2-CG1 3.8Å; V122-V143 HydrophobicContact CG2-CG2 4.42Å; V122-C146 HydrophobicContact CG1-CB 4.05Å; V122-C146 HydrophobicContact CG2-CB 4.3Å; V122-I155 HydrophobicContact CG1-CG2 4.43Å |
| 123 | K | 97.6 | Very high | 96 | Very high | 29 Ų | 29 | 46 Ų | 46 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.5 | 178.5 | -69.3 | -174.2 | -178.1 | -140 | 0 | 110.5 | A96 H97 C114 T115 S121 W125 F132 | A96-K123 HydrophobicContact CB-CD 4.06Å; A96-K123 PolarHBondContact O-NZ 2.85Å; H97-K123 VanDerWaalsContact CE1-CG 3.43Å; H97-K123 WeakPolarHBondContact CE1-CG 3.49Å; C114-K123 CarbonylContact C-O 3.59Å; C114-K123 VanDerWaalsContact CA-O 3.3Å; C114-K123 WeakPolarHBondContact CA-O 3.48Å; T115-K123 PolarHBondContact N-O 2.99Å; T115-K123 PolarHBondContact O-N 3.3Å; T115-K123 PolarHBondContact OG1-O 3.39Å; S121-K123 WeakPolarHBondContact OG-CE 3.48Å; K123-W125 HydrophobicContact CB-CZ2 4.13Å; K123-W125 HydrophobicContact CD-CZ2 4.27Å; K123-W125 PolarHBondContact O-NE1 2.89Å; K123-F132 HydrophobicContact CB-CD2 4.38Å; K123-F132 HydrophobicContact CB-CE2 3.9Å; K123-F132 HydrophobicContact CD-CD2 4.3Å; K123-F132 HydrophobicContact CD-CE2 3.75Å; K123-F132 HydrophobicContact CG-CE2 3.83Å |
| 124 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.9 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | M113 C114 L133 F134 I155 | M113-V124 WeakPolarHBondContact O-CA 3.44Å; C114-V124 HydrophobicContact CB-CG2 4.39Å; V124-L133 HydrophobicContact CG1-CD1 4.31Å; V124-L133 WeakPolarHBondContact O-CB 3.49Å; V124-L133 PolarHBondContact O-N 2.76Å; V124-F134 HydrophobicContact CB-CD1 4.45Å; V124-F134 HydrophobicContact CB-CD2 4.28Å; V124-F134 HydrophobicContact CB-CE1 4.07Å; V124-F134 HydrophobicContact CB-CE2 3.88Å; V124-F134 HydrophobicContact CB-CZ 3.76Å; V124-F134 HydrophobicContact CG1-CE1 4.15Å; V124-F134 HydrophobicContact CG1-CZ 4Å; V124-F134 HydrophobicContact CG2-CD2 4.21Å; V124-F134 HydrophobicContact CG2-CE2 3.53Å; V124-F134 HydrophobicContact CG2-CZ 3.71Å; V124-F134 PolarHBondContact N-O 3.21Å; V124-F134 PolarHBondContact O-N 2.67Å; V124-I155 HydrophobicContact CG2-CD1 3.71Å |
| 125 | W | 96.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.3 | -172.1 | -43.8 | 76.1 | 0 | 0 | 0 | 110 | F94 A96 R112 M113 T115 K123 K131 F132 | F94-W125 HydrophobicContact CB-CH2 4.32Å; F94-W125 HydrophobicContact CB-CZ3 4.21Å; F94-W125 AromaticContact CD1-CE3 3.99Å; F94-W125 HydrophobicContact CD1-CE3 3.99Å; F94-W125 HydrophobicContact CD1-CZ3 4.25Å; A96-W125 HydrophobicContact CB-CH2 3.06Å; A96-W125 HydrophobicContact CB-CZ2 3.78Å; A96-W125 HydrophobicContact CB-CZ3 3.71Å; R112-W125 CarbonylContact C-O 3.58Å; R112-W125 WeakPolarHBondContact CA-O 3.19Å; M113-W125 HydrophobicContact CE-CB 3.55Å; M113-W125 HydrophobicContact CE-CD2 3.79Å; M113-W125 HydrophobicContact CE-CE3 4.35Å; M113-W125 HydrophobicContact CE-CG 3.41Å; M113-W125 VanDerWaalsContact CE-CG 3.41Å; M113-W125 HydrophobicContact CG-CB 3.65Å; M113-W125 HydrophobicContact CG-CG 3.96Å; M113-W125 PolarHBondContact N-O 2.57Å; M113-W125 PolarHBondContact O-N 3.33Å; M113-W125 HydrophobicContact SD-CB 4.45Å; M113-W125 HydrophobicContact SD-CG 4.47Å; T115-W125 PolarHBondContact OG1-NE1 3.3Å; K123-W125 HydrophobicContact CB-CZ2 4.13Å; K123-W125 HydrophobicContact CD-CZ2 4.27Å; K123-W125 PolarHBondContact O-NE1 2.89Å; W125-K131 CarbonylContact C-O 3.55Å; W125-K131 WeakPolarHBondContact CA-O 3.02Å; W125-F132 HydrophobicContact CD2-CD2 4.24Å; W125-F132 HydrophobicContact CE3-CB 3.67Å; W125-F132 HydrophobicContact CE3-CD2 4.1Å; W125-F132 HydrophobicContact CE3-CG 4.4Å; W125-F132 HydrophobicContact CH2-CD2 4.45Å; W125-F132 HydrophobicContact CZ2-CD2 4.48Å; W125-F132 HydrophobicContact CZ3-CB 3.78Å; W125-F132 HydrophobicContact CZ3-CD2 4.21Å; W125-F132 HydrophobicContact CZ3-CG 4.46Å |
| 126 | S | 95.6 | Very high | 95.9 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.4 | 165.6 | 177.7 | 0 | 0 | 0 | 0 | 109 | S111 R129 Q130 K131 | S111-S126 WeakPolarHBondContact O-CA 3.14Å; S126-R129 WeakPolarHBondContact OG-CB 3.4Å; S126-R129 PolarHBondContact OG-N 2.89Å; S126-Q130 VanDerWaalsContact O-CA 3.26Å; S126-Q130 WeakPolarHBondContact O-CA 3.34Å; S126-Q130 PolarHBondContact O-N 2.91Å; S126-K131 PolarHBondContact N-O 3.05Å; S126-K131 PolarHBondContact O-N 2.75Å; S126-K131 VanDerWaalsContact O-N 3.13Å |
| 127 | L | 92.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -50 | 177.8 | -74.7 | 174.5 | 0 | 0 | 0 | 111.1 | L72 V106 D110 S111 R112 M113 R129 Q130 | L72-L127 HydrophobicContact CD2-CD2 3.66Å; V106-L127 HydrophobicContact CG1-CD1 3.56Å; D110-L127 WeakPolarHBondContact O-CD1 3.41Å; S111-L127 PolarHBondContact O-N 2.63Å; R112-L127 WeakPolarHBondContact O-CD1 3.42Å; M113-L127 HydrophobicContact CB-CD1 4.22Å; M113-L127 HydrophobicContact CB-CD2 3.89Å; M113-L127 HydrophobicContact CB-CG 4.02Å; M113-L127 HydrophobicContact CE-CD2 4.47Å; M113-L127 HydrophobicContact CG-CD2 3.66Å; M113-L127 HydrophobicContact CG-CG 4.07Å; M113-L127 HydrophobicContact SD-CD2 3.61Å; L127-R129 PolarHBondContact O-N 2.89Å; L127-Q130 WeakPolarHBondContact O-CG 3.46Å; L127-Q130 PolarHBondContact O-N 2.87Å |
| 128 | H | 89.9 | Confident | 95.7 | Very high | 171 Ų | 171 | 58.7 Ų | 58.7 | 79% | 0.792 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -44 | -178.8 | -169.8 | 76.8 | 0 | 0 | 0 | 112.5 | Q130 | H128-Q130 VanDerWaalsContact C-N 3.28Å; H128-Q130 PolarHBondContact O-N 2.79Å |
| 129 | R | 91.9 | Very high | 95.7 | Very high | 186 Ų | 186 | 58.2 Ų | 58.2 | 70% | 0.702 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.2 | 178.5 | -61.2 | -176.3 | 172.7 | -154.6 | -3.1 | 113.3 | S126 L127 K131 | S126-R129 WeakPolarHBondContact OG-CB 3.4Å; S126-R129 PolarHBondContact OG-N 2.89Å; L127-R129 PolarHBondContact O-N 2.89Å; R129-K131 HydrophobicContact CB-CB 4.32Å; R129-K131 HydrophobicContact CB-CD 4.36Å; R129-K131 HydrophobicContact CB-CG 4.49Å; R129-K131 WeakPolarHBondContact O-CG 3.48Å; R129-K131 PolarHBondContact O-N 3.43Å |
| 130 | Q | 92.1 | Very high | 95.7 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 40.4 | -175.7 | -56.7 | 175.3 | 3.8 | 0 | 0 | 113 | F94 S126 L127 H128 | F94-Q130 HydrophobicContact CE1-CB 4.01Å; F94-Q130 HydrophobicContact CZ-CB 4.08Å; F94-Q130 HydrophobicContact CZ-CG 4.16Å; S126-Q130 VanDerWaalsContact O-CA 3.26Å; S126-Q130 WeakPolarHBondContact O-CA 3.34Å; S126-Q130 PolarHBondContact O-N 2.91Å; L127-Q130 WeakPolarHBondContact O-CG 3.46Å; L127-Q130 PolarHBondContact O-N 2.87Å; H128-Q130 VanDerWaalsContact C-N 3.28Å; H128-Q130 PolarHBondContact O-N 2.79Å |
| 131 | K | 93.3 | Very high | 95.6 | Very high | 132 Ų | 132 | 60 Ų | 60 | 57% | 0.574 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.6 | -171.8 | -82.8 | 176.1 | -175.5 | -174.8 | 0 | 111.6 | W125 S126 R129 | W125-K131 CarbonylContact C-O 3.55Å; W125-K131 WeakPolarHBondContact CA-O 3.02Å; S126-K131 PolarHBondContact N-O 3.05Å; S126-K131 PolarHBondContact O-N 2.75Å; S126-K131 VanDerWaalsContact O-N 3.13Å; R129-K131 HydrophobicContact CB-CB 4.32Å; R129-K131 HydrophobicContact CB-CD 4.36Å; R129-K131 HydrophobicContact CB-CG 4.49Å; R129-K131 WeakPolarHBondContact O-CG 3.48Å; R129-K131 PolarHBondContact O-N 3.43Å |
| 132 | F | 95.1 | Very high | 95.6 | Very high | 92 Ų | 92 | 65 Ų | 65 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.9 | 165.8 | 172.6 | -102.8 | 0 | 0 | 0 | 110 | A96 K123 W125 F134 | A96-F132 HydrophobicContact CB-CD2 4.32Å; K123-F132 HydrophobicContact CB-CD2 4.38Å; K123-F132 HydrophobicContact CB-CE2 3.9Å; K123-F132 HydrophobicContact CD-CD2 4.3Å; K123-F132 HydrophobicContact CD-CE2 3.75Å; K123-F132 HydrophobicContact CG-CE2 3.83Å; W125-F132 HydrophobicContact CD2-CD2 4.24Å; W125-F132 HydrophobicContact CE3-CB 3.67Å; W125-F132 HydrophobicContact CE3-CD2 4.1Å; W125-F132 HydrophobicContact CE3-CG 4.4Å; W125-F132 HydrophobicContact CH2-CD2 4.45Å; W125-F132 HydrophobicContact CZ2-CD2 4.48Å; W125-F132 HydrophobicContact CZ3-CB 3.78Å; W125-F132 HydrophobicContact CZ3-CD2 4.21Å; W125-F132 HydrophobicContact CZ3-CG 4.46Å; F132-F134 VanDerWaalsContact CE2-O 3.23Å; F132-F134 WeakPolarHBondContact CE2-O 3.41Å; F132-F134 WeakPolarHBondContact CZ-O 3.43Å |
| 133 | L | 95.5 | Very high | 95.7 | Very high | 75 Ų | 75 | 65 Ų | 65 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -68.3 | 178.2 | -61.4 | 176.7 | 0 | 0 | 0 | 110.8 | R112 V124 | R112-L133 HydrophobicContact CG-CD1 4.32Å; V124-L133 HydrophobicContact CG1-CD1 4.31Å; V124-L133 WeakPolarHBondContact O-CB 3.49Å; V124-L133 PolarHBondContact O-N 2.76Å |
| 134 | F | 96.5 | Very high | 95.7 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 170.5 | -177.1 | 59.5 | -95.4 | 0 | 0 | 0 | 112.2 | V124 F132 L136 Q172 | V124-F134 HydrophobicContact CB-CD1 4.45Å; V124-F134 HydrophobicContact CB-CD2 4.28Å; V124-F134 HydrophobicContact CB-CE1 4.07Å; V124-F134 HydrophobicContact CB-CE2 3.88Å; V124-F134 HydrophobicContact CB-CZ 3.76Å; V124-F134 HydrophobicContact CG1-CE1 4.15Å; V124-F134 HydrophobicContact CG1-CZ 4Å; V124-F134 HydrophobicContact CG2-CD2 4.21Å; V124-F134 HydrophobicContact CG2-CE2 3.53Å; V124-F134 HydrophobicContact CG2-CZ 3.71Å; V124-F134 PolarHBondContact N-O 3.21Å; V124-F134 PolarHBondContact O-N 2.67Å; F132-F134 VanDerWaalsContact CE2-O 3.23Å; F132-F134 WeakPolarHBondContact CE2-O 3.41Å; F132-F134 WeakPolarHBondContact CZ-O 3.43Å; F134-L136 HydrophobicContact CD2-CD2 4.13Å; F134-L136 HydrophobicContact CD2-CG 4.33Å; F134-L136 HydrophobicContact CE2-CD1 4.45Å; F134-L136 HydrophobicContact CE2-CD2 3.94Å; F134-L136 HydrophobicContact CE2-CG 4.14Å; F134-Q172 HydrophobicContact CD1-CG 4.07Å; F134-Q172 HydrophobicContact CD2-CB 4.38Å; F134-Q172 HydrophobicContact CD2-CG 4.11Å; F134-Q172 HydrophobicContact CE1-CG 3.97Å; F134-Q172 HydrophobicContact CE2-CB 4.38Å; F134-Q172 HydrophobicContact CE2-CG 4.01Å; F134-Q172 HydrophobicContact CG-CG 4.14Å; F134-Q172 HydrophobicContact CZ-CG 3.94Å |
| 135 | S | 96.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 64.8 Ų | 64.8 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.1 | -177.4 | -158.6 | 0 | 0 | 0 | 0 | 110.8 | N137 | S135-N137 WeakPolarHBondContact CB-OD1 3.49Å; S135-N137 PolarHBondContact OG-OD1 2.81Å |
| 136 | L | 97 | Very high | 95.7 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106.8 | 176.8 | -57.2 | 170.7 | 0 | 0 | 0 | 108.4 | V122 F134 I155 W167 | V122-L136 HydrophobicContact CB-CB 4.18Å; V122-L136 HydrophobicContact CB-CD1 4.33Å; V122-L136 HydrophobicContact CG1-CD1 4.29Å; V122-L136 PolarHBondContact N-O 2.86Å; V122-L136 PolarHBondContact O-N 2.84Å; F134-L136 HydrophobicContact CD2-CD2 4.13Å; F134-L136 HydrophobicContact CD2-CG 4.33Å; F134-L136 HydrophobicContact CE2-CD1 4.45Å; F134-L136 HydrophobicContact CE2-CD2 3.94Å; F134-L136 HydrophobicContact CE2-CG 4.14Å; L136-I155 HydrophobicContact CD1-CD1 4.38Å; L136-W167 HydrophobicContact CB-CD2 4.12Å; L136-W167 HydrophobicContact CB-CE3 3.92Å; L136-W167 HydrophobicContact CB-CH2 3.95Å; L136-W167 HydrophobicContact CB-CZ2 4.2Å; L136-W167 HydrophobicContact CB-CZ3 3.83Å; L136-W167 HydrophobicContact CD1-CB 3.86Å; L136-W167 HydrophobicContact CD1-CD2 3.82Å; L136-W167 HydrophobicContact CD1-CE3 4.11Å; L136-W167 HydrophobicContact CD1-CG 3.71Å; L136-W167 HydrophobicContact CD2-CD2 4.36Å; L136-W167 HydrophobicContact CD2-CE3 3.78Å; L136-W167 HydrophobicContact CD2-CZ3 4.19Å; L136-W167 HydrophobicContact CG-CD2 4.32Å; L136-W167 HydrophobicContact CG-CE3 4.15Å; L136-W167 HydrophobicContact CG-CZ3 4.49Å |
| 137 | N | 95.9 | Very high | 95.9 | Very high | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | trans | -118.3 | 28.4 | -162 | -62.3 | -26.6 | 0 | 0 | 0 | 114.5 | S121 S135 | S121-N137 WeakPolarHBondContact CB-OD1 3.43Å; S135-N137 WeakPolarHBondContact CB-OD1 3.49Å; S135-N137 PolarHBondContact OG-OD1 2.81Å | ||
| 138 | Q | 96.8 | Very high | 96.1 | Very high | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | trans | -90.7 | -8.4 | -179.5 | -52.9 | -176 | -0.2 | 0 | 0 | 114.7 | K165 W167 | Q138-K165 HydrophobicContact CB-CD 4.1Å; Q138-K165 WeakPolarHBondContact O-CE 3.47Å; Q138-W167 HydrophobicContact CB-CH2 3.53Å; Q138-W167 HydrophobicContact CB-CZ2 4.48Å; Q138-W167 HydrophobicContact CB-CZ3 4.15Å; Q138-W167 HydrophobicContact CG-CH2 3.64Å; Q138-W167 HydrophobicContact CG-CZ3 3.74Å | ||
| 139 | H | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | trans | -72.5 | 140.3 | 172.8 | -81 | -59.5 | 0 | 0 | 0 | 110.3 | V143 S157 S159 D161 T163 | H139-V143 HydrophobicContact CB-CG2 3.98Å; H139-S157 PolarHBondContact CD2-OG 2.94Å; H139-S157 PolarHBondContact NE2-OG 2.96Å; H139-S159 VanDerWaalsContact CE1-CB 3.41Å; H139-S159 WeakPolarHBondContact CE1-CB 3.41Å; H139-S159 WeakPolarHBondContact ND1-CB 3.11Å; H139-D161 WeakPolarHBondContact CA-OD2 3.28Å; H139-D161 WeakPolarHBondContact CB-OD2 3.47Å; H139-D161 IonicContact CG-OD2 3.97Å; H139-D161 IonicContact ND1-OD1 3.99Å; H139-D161 IonicContact ND1-OD2 2.83Å; H139-D161 PolarHBondContact ND1-OD2 2.74Å; H139-T163 PolarHBondContact CE1-OG1 3.12Å; H139-T163 PolarHBondContact ND1-OG1 3.23Å | ||
| 140 | V | 97.2 | Very high | 96.6 | Very high | 106 Ų | 106 | 50 Ų | 50 | 64% | 0.642 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -98 | -9.6 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | K120 D161 | K120-V140 WeakPolarHBondContact CD-O 3.22Å; K120-V140 WeakPolarHBondContact CE-O 3.12Å; K120-V140 PolarHBondContact NZ-O 2.91Å; V140-D161 HydrophobicContact CG2-CB 3.36Å; V140-D161 PolarHBondContact N-OD2 2.89Å |
| 141 | N | 97.6 | Very high | 96.8 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -137.3 | -176.3 | 178.8 | -149.6 | -13.9 | 0 | 0 | 0 | 111.7 | K120 V143 S159 D160 D161 | K120-N141 WeakPolarHBondContact CA-O 3.3Å; K120-N141 WeakPolarHBondContact CB-O 3.41Å; N141-V143 PolarHBondContact O-N 2.92Å; N141-S159 PolarHBondContact O-OG 3.18Å; N141-D160 HydrophobicContact CB-CB 3.94Å; N141-D161 HydrophobicContact CB-CB 3.95Å |
| 142 | W | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 44.3 Ų | 44.3 | 42% | 0.424 | 23% | 0.228 | S | C | . | . | trans | -58.7 | 126.9 | -175.3 | -62.9 | -11.8 | 0 | 0 | 0 | 112.4 | A118 S159 D160 | A118-W142 HydrophobicContact CB-CB 4.36Å; A118-W142 HydrophobicContact CB-CD2 4.21Å; A118-W142 HydrophobicContact CB-CG 3.91Å; A118-W142 PolarHBondContact O-NE1 2.95Å; W142-S159 VanDerWaalsContact O-CA 3.3Å; W142-S159 WeakPolarHBondContact O-CA 3.43Å; W142-S159 PolarHBondContact O-OG 3.47Å; W142-D160 PolarHBondContact O-N 2.92Å | ||
| 143 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.7 | 174.6 | -166.1 | 0 | 0 | 0 | 0 | 109 | A116 S117 V122 H139 N141 S158 | A116-V143 HydrophobicContact CB-CB 4Å; A116-V143 HydrophobicContact CB-CG1 3.58Å; S117-V143 PolarHBondContact O-N 2.89Å; S117-V143 VanDerWaalsContact O-N 3.11Å; V122-V143 HydrophobicContact CG2-CG1 3.8Å; V122-V143 HydrophobicContact CG2-CG2 4.42Å; H139-V143 HydrophobicContact CB-CG2 3.98Å; N141-V143 PolarHBondContact O-N 2.92Å; V143-S158 CarbonylContact C-O 3.49Å; V143-S158 WeakPolarHBondContact CA-O 3.24Å; V143-S158 WeakPolarHBondContact CG1-O 3.5Å |
| 144 | R | 97.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -44 | -175.7 | -76.5 | -65.3 | -160.8 | -84.2 | -7.8 | 112.8 | S158 D160 F184 | R144-S158 PolarHBondContact N-O 3.13Å; R144-D160 WeakPolarHBondContact CG-OD1 3.32Å; R144-D160 IonicContact CZ-OD1 3.88Å; R144-D160 IonicContact CZ-OD2 3.39Å; R144-D160 IonicContact NE-OD1 2.67Å; R144-D160 PolarHBondContact NE-OD1 3.48Å; R144-D160 IonicContact NH1-OD1 2.92Å; R144-D160 PolarHBondContact NH1-OD1 3.27Å; R144-D160 IonicContact NH1-OD2 3.87Å; R144-D160 PolarHBondContact NH1-OD2 2.65Å; R144-D160 IonicContact NH2-OD1 2.99Å; R144-D160 PolarHBondContact NH2-OD1 2.84Å; R144-D160 IonicContact NH2-OD2 3.79Å; R144-D160 PolarHBondContact NH2-OD2 3.42Å; R144-F184 HydrophobicContact CG-CD2 4.39Å; R144-F184 HydrophobicContact CG-CE2 4.38Å |
| 145 | C | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149.4 | -176.4 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | W103 S157 S158 H187 | W103-C145 HydrophobicContact CG-CB 4.32Å; C145-S157 CarbonylContact O-C 3.49Å; C145-S157 WeakPolarHBondContact O-CA 3.44Å; C145-S157 WeakPolarHBondContact O-CB 3.32Å; C145-S158 WeakPolarHBondContact CB-OG 3.34Å; C145-S158 PolarHBondContact N-OG 3.22Å; C145-S158 PolarHBondContact O-N 2.8Å; C145-H187 PolarHBondContact SG-CD2 2.84Å |
| 146 | C | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144 | 165.5 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | A116 V122 I155 I156 | A116-C146 HydrophobicContact CB-CB 3.91Å; A116-C146 PolarHBondContact N-SG 2.89Å; V122-C146 HydrophobicContact CG1-CB 4.05Å; V122-C146 HydrophobicContact CG2-CB 4.3Å; C146-I155 HydrophobicContact CB-CG2 4.38Å; C146-I156 CarbonylContact C-O 3.53Å; C146-I156 WeakPolarHBondContact CA-O 3.42Å |
| 147 | R | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145.9 | 176.9 | -69.1 | -64.6 | -165.3 | -165.1 | 9.7 | 111.3 | R63 D105 I155 I156 H187 L188 D189 F190 | R63-R147 VanDerWaalsContact CZ-NH1 3.35Å; D105-R147 VanDerWaalsContact CG-CD 3.49Å; D105-R147 IonicContact OD1-CZ 3.55Å; D105-R147 IonicContact OD1-NH1 3.8Å; D105-R147 PolarHBondContact OD1-NH1 2.88Å; D105-R147 VanDerWaalsContact OD2-CA 3.27Å; D105-R147 WeakPolarHBondContact OD2-CA 3.43Å; D105-R147 VanDerWaalsContact OD2-CD 3.26Å; D105-R147 WeakPolarHBondContact OD2-CD 3.03Å; R147-I155 CarbonylContact O-C 3.57Å; R147-I155 WeakPolarHBondContact O-CA 3.26Å; R147-I155 WeakPolarHBondContact O-CG2 3.41Å; R147-I156 HydrophobicContact CB-CD1 4.25Å; R147-I156 HydrophobicContact CB-CG1 3.83Å; R147-I156 PolarHBondContact N-O 3.01Å; R147-I156 PolarHBondContact O-N 3.1Å; R147-H187 PolarHBondContact NH2-NE2 2.83Å; R147-L188 WeakPolarHBondContact CG-O 3.36Å; R147-L188 PolarHBondContact NE-O 2.98Å; R147-D189 IonicContact NE-OD1 2.73Å; R147-F190 HydrophobicContact CB-CD2 3.86Å; R147-F190 HydrophobicContact CB-CE2 3.9Å |
| 148 | F | 97.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 145.8 | 164.4 | -77.3 | -73.5 | 0 | 0 | 0 | 110.8 | D105 R112 C114 L154 I155 T169 F190 | D105-F148 HydrophobicContact CB-CD2 4.24Å; D105-F148 PolarHBondContact OD2-N 3.39Å; R112-F148 HydrophobicContact CB-CZ 4.18Å; C114-F148 HydrophobicContact CB-CD2 4.43Å; C114-F148 HydrophobicContact CB-CE2 3.7Å; C114-F148 HydrophobicContact CB-CZ 3.76Å; C114-F148 VanDerWaalsContact N-CE2 3.35Å; C114-F148 VanDerWaalsContact SG-CE2 3.58Å; F148-L154 WeakPolarHBondContact CA-O 3.41Å; F148-I155 HydrophobicContact CD1-CD1 4.12Å; F148-I155 HydrophobicContact CD1-CG1 3.53Å; F148-I155 HydrophobicContact CE1-CD1 3.56Å; F148-I155 HydrophobicContact CE1-CG1 3.53Å; F148-I155 HydrophobicContact CG-CG1 4.33Å; F148-I155 HydrophobicContact CZ-CD1 4.06Å; F148-I155 HydrophobicContact CZ-CG1 4.33Å; F148-T169 HydrophobicContact CD1-CG2 4.35Å; F148-T169 HydrophobicContact CE1-CG2 3.97Å; F148-F190 WeakPolarHBondContact O-CD2 3.35Å; F148-F190 WeakPolarHBondContact O-CE2 3.25Å |
| 149 | S | 97 | Very high | 97.3 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | trans | -64.7 | 157.6 | 164.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | D151 S152 R153 L154 F190 | S149-D151 VanDerWaalsContact CB-OD1 3.28Å; S149-D151 WeakPolarHBondContact CB-OD1 3.39Å; S149-D151 PolarHBondContact O-N 3.29Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; S149-S152 WeakPolarHBondContact O-CA 3.25Å; S149-S152 PolarHBondContact O-N 2.84Å; S149-R153 PolarHBondContact OG-N 3.36Å; S149-L154 PolarHBondContact N-O 2.9Å; S149-L154 PolarHBondContact OG-N 3.39Å; S149-L154 PolarHBondContact OG-O 3.06Å; S149-F190 VanDerWaalsContact N-CE2 3.25Å | ||
| 150 | P | 95.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 35 Ų | 35 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.2 | 178.6 | -28.5 | 36.3 | 0 | 0 | 0 | 114.3 | S152 F190 | P150-S152 VanDerWaalsContact C-N 3.35Å; P150-F190 HydrophobicContact CG-CB 4.44Å |
| 151 | D | 95 | Very high | 97.3 | Very high | 92 Ų | 92 | 31.3 Ų | 31.3 | 49% | 0.492 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.6 | 175.3 | 69.4 | -8 | 0 | 0 | 0 | 114 | S149 R153 | S149-D151 VanDerWaalsContact CB-OD1 3.28Å; S149-D151 WeakPolarHBondContact CB-OD1 3.39Å; S149-D151 PolarHBondContact O-N 3.29Å; S149-D151 VanDerWaalsContact O-N 3.12Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; D151-R153 HydrophobicContact CB-CG 4.43Å; D151-R153 PolarHBondContact O-N 2.8Å; D151-R153 VanDerWaalsContact O-N 3.12Å; D151-R153 PolarHBondContact OD1-N 3.37Å; D151-R153 VanDerWaalsContact OD1-N 3.15Å; D151-R153 WeakPolarHBondContact OD2-CD 3.2Å |
| 152 | S | 95.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 60 | 12.6 | -178.8 | -53.3 | 0 | 0 | 0 | 0 | 116.2 | A108 S149 P150 T169 | A108-S152 WeakPolarHBondContact CB-OG 3.37Å; A108-S152 PolarHBondContact N-OG 2.92Å; S149-S152 WeakPolarHBondContact O-CA 3.25Å; S149-S152 PolarHBondContact O-N 2.84Å; P150-S152 VanDerWaalsContact C-N 3.35Å; S152-T169 PolarHBondContact O-OG1 3.2Å |
| 153 | R | 95.5 | Very high | 97.2 | Very high | 174 Ų | 174 | 29.5 Ų | 29.5 | 66% | 0.657 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -83.8 | -30.6 | 179.8 | -64.3 | -175.1 | -179.7 | -170.4 | -2.6 | 113 | S149 D151 T169 | S149-R153 PolarHBondContact OG-N 3.36Å; D151-R153 HydrophobicContact CB-CG 4.43Å; D151-R153 PolarHBondContact O-N 2.8Å; D151-R153 VanDerWaalsContact O-N 3.12Å; D151-R153 PolarHBondContact OD1-N 3.37Å; D151-R153 VanDerWaalsContact OD1-N 3.15Å; D151-R153 WeakPolarHBondContact OD2-CD 3.2Å; R153-T169 WeakPolarHBondContact O-CB 3.5Å; R153-T169 VanDerWaalsContact O-CG2 3.3Å; R153-T169 WeakPolarHBondContact O-CG2 3.42Å; R153-T169 PolarHBondContact O-N 3.03Å; R153-T169 PolarHBondContact O-OG1 3.36Å |
| 154 | L | 96.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.4 | -176.8 | -57.1 | 172.9 | 0 | 0 | 0 | 110.6 | F148 S149 L166 W167 | F148-L154 WeakPolarHBondContact CA-O 3.41Å; S149-L154 PolarHBondContact N-O 2.9Å; S149-L154 PolarHBondContact OG-N 3.39Å; S149-L154 PolarHBondContact OG-O 3.06Å; L154-L166 HydrophobicContact CB-CD1 4Å; L154-L166 HydrophobicContact CD1-CD1 4.15Å; L154-L166 HydrophobicContact CD1-CD2 4.49Å; L154-L166 HydrophobicContact CG-CD1 4.49Å; L154-W167 CarbonylContact C-O 3.52Å; L154-W167 WeakPolarHBondContact CA-O 3.17Å |
| 155 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.7 | 166.5 | -66 | 166.6 | 0 | 0 | 0 | 107.9 | C114 V122 V124 L136 C146 R147 F148 L166 W167 T169 | C114-I155 HydrophobicContact CB-CD1 3.92Å; V122-I155 HydrophobicContact CG1-CG2 4.43Å; V124-I155 HydrophobicContact CG2-CD1 3.71Å; L136-I155 HydrophobicContact CD1-CD1 4.38Å; C146-I155 HydrophobicContact CB-CG2 4.38Å; R147-I155 CarbonylContact O-C 3.57Å; R147-I155 WeakPolarHBondContact O-CA 3.26Å; R147-I155 WeakPolarHBondContact O-CG2 3.41Å; F148-I155 HydrophobicContact CD1-CD1 4.12Å; F148-I155 HydrophobicContact CD1-CG1 3.53Å; F148-I155 HydrophobicContact CE1-CD1 3.56Å; F148-I155 HydrophobicContact CE1-CG1 3.53Å; F148-I155 HydrophobicContact CG-CG1 4.33Å; F148-I155 HydrophobicContact CZ-CD1 4.06Å; F148-I155 HydrophobicContact CZ-CG1 4.33Å; I155-L166 CarbonylContact O-C 3.54Å; I155-W167 HydrophobicContact CB-CB 4.23Å; I155-W167 PolarHBondContact N-O 3.09Å; I155-W167 VanDerWaalsContact O-CD1 3.27Å; I155-W167 PolarHBondContact O-N 3.2Å; I155-T169 HydrophobicContact CD1-CG2 3.69Å; I155-T169 HydrophobicContact CG1-CG2 3.66Å |
| 156 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.7 | 163 | 59.2 | -174.4 | 0 | 0 | 0 | 109.6 | C146 R147 K165 L166 L188 F190 F197 | C146-I156 CarbonylContact C-O 3.53Å; C146-I156 WeakPolarHBondContact CA-O 3.42Å; R147-I156 HydrophobicContact CB-CD1 4.25Å; R147-I156 HydrophobicContact CB-CG1 3.83Å; R147-I156 PolarHBondContact N-O 3.01Å; R147-I156 PolarHBondContact O-N 3.1Å; I156-K165 CarbonylContact C-O 3.56Å; I156-K165 WeakPolarHBondContact CA-O 3.32Å; I156-L166 HydrophobicContact CG2-CD1 3.52Å; I156-L188 HydrophobicContact CB-CD1 4.07Å; I156-L188 HydrophobicContact CD1-CB 3.75Å; I156-L188 HydrophobicContact CD1-CD1 4.09Å; I156-L188 HydrophobicContact CD1-CG 4.5Å; I156-L188 HydrophobicContact CG1-CB 4.23Å; I156-L188 HydrophobicContact CG1-CD1 3.91Å; I156-F190 HydrophobicContact CB-CE2 4.21Å; I156-F190 HydrophobicContact CB-CZ 4.06Å; I156-F190 HydrophobicContact CD1-CD1 4.37Å; I156-F190 HydrophobicContact CD1-CD2 3.68Å; I156-F190 HydrophobicContact CD1-CE1 4.2Å; I156-F190 HydrophobicContact CD1-CE2 3.49Å; I156-F190 VanDerWaalsContact CD1-CE2 3.49Å; I156-F190 HydrophobicContact CD1-CG 4.15Å; I156-F190 HydrophobicContact CD1-CZ 3.79Å; I156-F190 HydrophobicContact CG1-CD2 4.07Å; I156-F190 HydrophobicContact CG1-CE2 3.41Å; I156-F190 VanDerWaalsContact CG1-CE2 3.41Å; I156-F190 HydrophobicContact CG1-CZ 3.74Å; I156-F190 HydrophobicContact CG2-CE1 3.98Å; I156-F190 HydrophobicContact CG2-CE2 4.11Å; I156-F190 HydrophobicContact CG2-CZ 3.47Å; I156-F190 VanDerWaalsContact CG2-CZ 3.47Å; I156-F197 HydrophobicContact CD1-CB 3.76Å; I156-F197 HydrophobicContact CD1-CD2 4.16Å; I156-F197 HydrophobicContact CD1-CG 3.95Å; I156-F197 HydrophobicContact CG2-CD1 4.45Å |
| 157 | S | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 143.3 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | H139 C145 I164 K165 W167 | H139-S157 PolarHBondContact CD2-OG 2.94Å; H139-S157 PolarHBondContact NE2-OG 2.96Å; C145-S157 CarbonylContact O-C 3.49Å; C145-S157 WeakPolarHBondContact O-CA 3.44Å; C145-S157 WeakPolarHBondContact O-CB 3.32Å; S157-I164 CarbonylContact O-C 3.57Å; S157-I164 VanDerWaalsContact O-CA 3.23Å; S157-I164 WeakPolarHBondContact O-CA 3.39Å; S157-K165 PolarHBondContact N-O 2.77Å; S157-K165 PolarHBondContact O-N 2.81Å; S157-W167 PolarHBondContact OG-NE1 2.9Å |
| 158 | S | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.7 | 173.9 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | V143 R144 C145 A185 | V143-S158 CarbonylContact C-O 3.49Å; V143-S158 WeakPolarHBondContact CA-O 3.24Å; V143-S158 WeakPolarHBondContact CG1-O 3.5Å; R144-S158 PolarHBondContact N-O 3.13Å; C145-S158 WeakPolarHBondContact CB-OG 3.34Å; C145-S158 PolarHBondContact N-OG 3.22Å; C145-S158 PolarHBondContact O-N 2.8Å; S158-A185 WeakPolarHBondContact CB-O 3.39Å; S158-A185 PolarHBondContact OG-O 3.01Å |
| 159 | S | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.4 | -176.9 | 167.2 | 0 | 0 | 0 | 0 | 112.1 | H139 N141 W142 D161 K162 T163 F184 | H139-S159 VanDerWaalsContact CE1-CB 3.41Å; H139-S159 WeakPolarHBondContact CE1-CB 3.41Å; H139-S159 WeakPolarHBondContact ND1-CB 3.11Å; N141-S159 PolarHBondContact O-OG 3.18Å; W142-S159 VanDerWaalsContact O-CA 3.3Å; W142-S159 WeakPolarHBondContact O-CA 3.43Å; W142-S159 PolarHBondContact O-OG 3.47Å; S159-D161 VanDerWaalsContact CB-CG 3.5Å; S159-D161 VanDerWaalsContact CB-OD1 3.22Å; S159-D161 WeakPolarHBondContact CB-OD1 3.36Å; S159-D161 WeakPolarHBondContact CB-OD2 3.2Å; S159-D161 PolarHBondContact O-N 3.2Å; S159-D161 VanDerWaalsContact O-N 3.12Å; S159-D161 PolarHBondContact OG-N 3.26Å; S159-D161 PolarHBondContact OG-OD1 3.4Å; S159-D161 PolarHBondContact OG-OD2 3.08Å; S159-K162 PolarHBondContact O-N 2.93Å; S159-K162 VanDerWaalsContact O-N 3.13Å; S159-T163 PolarHBondContact N-O 3.34Å; S159-F184 WeakPolarHBondContact O-CB 3.31Å |
| 160 | D | 97.3 | Very high | 96.9 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.6 | 173.1 | -75.3 | 9.6 | 0 | 0 | 0 | 113.4 | N141 W142 R144 K162 F184 | N141-D160 HydrophobicContact CB-CB 3.94Å; W142-D160 PolarHBondContact O-N 2.92Å; R144-D160 WeakPolarHBondContact CG-OD1 3.32Å; R144-D160 IonicContact CZ-OD1 3.88Å; R144-D160 IonicContact CZ-OD2 3.39Å; R144-D160 IonicContact NE-OD1 2.67Å; R144-D160 PolarHBondContact NE-OD1 3.48Å; R144-D160 IonicContact NH1-OD1 2.92Å; R144-D160 PolarHBondContact NH1-OD1 3.27Å; R144-D160 IonicContact NH1-OD2 3.87Å; R144-D160 PolarHBondContact NH1-OD2 2.65Å; R144-D160 IonicContact NH2-OD1 2.99Å; R144-D160 PolarHBondContact NH2-OD1 2.84Å; R144-D160 IonicContact NH2-OD2 3.79Å; R144-D160 PolarHBondContact NH2-OD2 3.42Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-F184 WeakPolarHBondContact OD1-CE2 3.42Å |
| 161 | D | 97 | Very high | 96.9 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 5.3 | 170.2 | 62.1 | 25.9 | 0 | 0 | 0 | 113.6 | H139 V140 N141 S159 T163 | H139-D161 WeakPolarHBondContact CA-OD2 3.28Å; H139-D161 WeakPolarHBondContact CB-OD2 3.47Å; H139-D161 IonicContact CG-OD2 3.97Å; H139-D161 IonicContact ND1-OD1 3.99Å; H139-D161 IonicContact ND1-OD2 2.83Å; H139-D161 PolarHBondContact ND1-OD2 2.74Å; V140-D161 HydrophobicContact CG2-CB 3.36Å; V140-D161 PolarHBondContact N-OD2 2.89Å; N141-D161 HydrophobicContact CB-CB 3.95Å; S159-D161 VanDerWaalsContact CB-CG 3.5Å; S159-D161 VanDerWaalsContact CB-OD1 3.22Å; S159-D161 WeakPolarHBondContact CB-OD1 3.36Å; S159-D161 WeakPolarHBondContact CB-OD2 3.2Å; S159-D161 PolarHBondContact O-N 3.2Å; S159-D161 VanDerWaalsContact O-N 3.12Å; S159-D161 PolarHBondContact OG-N 3.26Å; S159-D161 PolarHBondContact OG-OD1 3.4Å; S159-D161 PolarHBondContact OG-OD2 3.08Å; D161-T163 VanDerWaalsContact CG-OG1 3.29Å; D161-T163 PolarHBondContact O-N 3.23Å; D161-T163 WeakPolarHBondContact OD1-CA 3.49Å; D161-T163 VanDerWaalsContact OD1-CB 3.29Å; D161-T163 WeakPolarHBondContact OD1-CB 3.46Å; D161-T163 PolarHBondContact OD1-N 3.13Å; D161-T163 PolarHBondContact OD1-OG1 3.01Å |
| 162 | K | 97 | Very high | 96.9 | Very high | 110 Ų | 110 | 40.3 Ų | 40.3 | 48% | 0.478 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 64.8 | 21.7 | -179 | -49.1 | 178.5 | -178 | 177.5 | 0 | 113.3 | S159 D160 E180 F184 | S159-K162 PolarHBondContact O-N 2.93Å; S159-K162 VanDerWaalsContact O-N 3.13Å; D160-K162 PolarHBondContact O-N 3.26Å; K162-E180 PolarHBondContact O-N 3.36Å; K162-F184 HydrophobicContact CG-CB 4.42Å |
| 163 | T | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 42 Ų | 42 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.5 | 174.1 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | H139 S159 D161 T177 F178 | H139-T163 PolarHBondContact CE1-OG1 3.12Å; H139-T163 PolarHBondContact ND1-OG1 3.23Å; S159-T163 PolarHBondContact N-O 3.34Å; D161-T163 VanDerWaalsContact CG-OG1 3.29Å; D161-T163 PolarHBondContact O-N 3.23Å; D161-T163 WeakPolarHBondContact OD1-CA 3.49Å; D161-T163 VanDerWaalsContact OD1-CB 3.29Å; D161-T163 WeakPolarHBondContact OD1-CB 3.46Å; D161-T163 PolarHBondContact OD1-N 3.13Å; D161-T163 PolarHBondContact OD1-OG1 3.01Å; T163-T177 HydrophobicContact CG2-CG2 3.94Å; T163-F178 WeakPolarHBondContact CA-O 3.22Å |
| 164 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.6 | 163.9 | -60.1 | 162.7 | 0 | 0 | 0 | 106.3 | S157 T177 F178 E180 A185 L188 F197 | S157-I164 CarbonylContact O-C 3.57Å; S157-I164 VanDerWaalsContact O-CA 3.23Å; S157-I164 WeakPolarHBondContact O-CA 3.39Å; I164-T177 CarbonylContact O-C 3.49Å; I164-T177 WeakPolarHBondContact O-CA 3.47Å; I164-F178 HydrophobicContact CB-CB 4.17Å; I164-F178 HydrophobicContact CG2-CD2 4.33Å; I164-F178 PolarHBondContact N-O 3.1Å; I164-F178 PolarHBondContact O-N 3.19Å; I164-E180 HydrophobicContact CD1-CG 3.82Å; I164-E180 HydrophobicContact CG1-CG 4.32Å; I164-A185 HydrophobicContact CD1-CB 3.8Å; I164-A185 HydrophobicContact CG1-CB 3.95Å; I164-L188 HydrophobicContact CD1-CD2 3.73Å; I164-L188 HydrophobicContact CG1-CD2 4.08Å; I164-L188 HydrophobicContact CG2-CD1 3.74Å; I164-L188 HydrophobicContact CG2-CD2 4.28Å; I164-F197 HydrophobicContact CD1-CE2 4.11Å; I164-F197 HydrophobicContact CG2-CE2 3.95Å; I164-F197 HydrophobicContact CG2-CZ 4.06Å |
| 165 | K | 97.9 | Very high | 97 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.1 | -179.4 | -72.2 | -177.6 | 173.5 | -74.6 | 0 | 110.2 | Q138 I156 S157 W167 T177 | Q138-K165 HydrophobicContact CB-CD 4.1Å; Q138-K165 WeakPolarHBondContact O-CE 3.47Å; I156-K165 CarbonylContact C-O 3.56Å; I156-K165 WeakPolarHBondContact CA-O 3.32Å; S157-K165 PolarHBondContact N-O 2.77Å; S157-K165 PolarHBondContact O-N 2.81Å; K165-W167 HydrophobicContact CB-CD2 4.46Å; K165-W167 HydrophobicContact CB-CZ2 3.68Å; K165-W167 HydrophobicContact CD-CH2 3.86Å; K165-W167 HydrophobicContact CD-CZ2 3.45Å; K165-W167 VanDerWaalsContact CD-CZ2 3.45Å; K165-W167 HydrophobicContact CG-CZ2 4.2Å; K165-T177 HydrophobicContact CG-CG2 4.13Å; K165-T177 PolarHBondContact NZ-OG1 2.99Å |
| 166 | L | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.4 | 170.8 | -177.6 | 68.1 | 0 | 0 | 0 | 108.4 | L154 I155 I156 C174 V175 H176 F178 L211 | L154-L166 HydrophobicContact CB-CD1 4Å; L154-L166 HydrophobicContact CD1-CD1 4.15Å; L154-L166 HydrophobicContact CD1-CD2 4.49Å; L154-L166 HydrophobicContact CG-CD1 4.49Å; I155-L166 CarbonylContact O-C 3.54Å; I156-L166 HydrophobicContact CG2-CD1 3.52Å; L166-C174 CarbonylContact O-C 3.59Å; L166-C174 WeakPolarHBondContact O-CA 3.3Å; L166-V175 HydrophobicContact CD2-CB 4.29Å; L166-V175 HydrophobicContact CD2-CG1 4.33Å; L166-V175 HydrophobicContact CG-CB 4.34Å; L166-V175 PolarHBondContact O-N 3.05Å; L166-H176 HydrophobicContact CB-CB 4.29Å; L166-H176 PolarHBondContact N-O 3.45Å; L166-H176 PolarHBondContact O-N 2.83Å; L166-F178 HydrophobicContact CB-CE2 4.31Å; L166-L211 HydrophobicContact CD1-CD2 3.79Å; L166-L211 HydrophobicContact CD2-CD2 3.91Å; L166-L211 HydrophobicContact CG-CD2 4.44Å |
| 167 | W | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140.5 | -174.8 | -49.6 | 90.8 | 0 | 0 | 0 | 110.4 | L136 Q138 L154 I155 S157 K165 S173 C174 | L136-W167 HydrophobicContact CB-CD2 4.12Å; L136-W167 HydrophobicContact CB-CE3 3.92Å; L136-W167 HydrophobicContact CB-CH2 3.95Å; L136-W167 HydrophobicContact CB-CZ2 4.2Å; L136-W167 HydrophobicContact CB-CZ3 3.83Å; L136-W167 HydrophobicContact CD1-CB 3.86Å; L136-W167 HydrophobicContact CD1-CD2 3.82Å; L136-W167 HydrophobicContact CD1-CE3 4.11Å; L136-W167 HydrophobicContact CD1-CG 3.71Å; L136-W167 HydrophobicContact CD2-CD2 4.36Å; L136-W167 HydrophobicContact CD2-CE3 3.78Å; L136-W167 HydrophobicContact CD2-CZ3 4.19Å; L136-W167 HydrophobicContact CG-CD2 4.32Å; L136-W167 HydrophobicContact CG-CE3 4.15Å; L136-W167 HydrophobicContact CG-CZ3 4.49Å; Q138-W167 HydrophobicContact CB-CH2 3.53Å; Q138-W167 HydrophobicContact CB-CZ2 4.48Å; Q138-W167 HydrophobicContact CB-CZ3 4.15Å; Q138-W167 HydrophobicContact CG-CH2 3.64Å; Q138-W167 HydrophobicContact CG-CZ3 3.74Å; L154-W167 CarbonylContact C-O 3.52Å; L154-W167 WeakPolarHBondContact CA-O 3.17Å; I155-W167 HydrophobicContact CB-CB 4.23Å; I155-W167 PolarHBondContact N-O 3.09Å; I155-W167 VanDerWaalsContact O-CD1 3.27Å; I155-W167 PolarHBondContact O-N 3.2Å; S157-W167 PolarHBondContact OG-NE1 2.9Å; K165-W167 HydrophobicContact CB-CD2 4.46Å; K165-W167 HydrophobicContact CB-CZ2 3.68Å; K165-W167 HydrophobicContact CD-CH2 3.86Å; K165-W167 HydrophobicContact CD-CZ2 3.45Å; K165-W167 VanDerWaalsContact CD-CZ2 3.45Å; K165-W167 HydrophobicContact CG-CZ2 4.2Å; W167-S173 WeakPolarHBondContact CA-O 3.34Å; W167-C174 HydrophobicContact CD2-CB 4.35Å; W167-C174 HydrophobicContact CE3-CB 3.65Å; W167-C174 HydrophobicContact CH2-CB 4.31Å; W167-C174 HydrophobicContact CZ3-CB 3.63Å |
| 168 | D | 96.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.3 | 167.7 | -172.9 | -29.3 | 0 | 0 | 0 | 108.7 | E170 A171 Q172 S173 V175 | D168-E170 PolarHBondContact OD1-N 3.26Å; D168-A171 HydrophobicContact CB-CB 3.98Å; D168-A171 PolarHBondContact OD1-N 2.91Å; D168-A171 VanDerWaalsContact OD1-N 3.17Å; D168-Q172 VanDerWaalsContact O-CA 3.31Å; D168-Q172 WeakPolarHBondContact O-CA 3.35Å; D168-Q172 PolarHBondContact O-N 2.83Å; D168-S173 PolarHBondContact N-O 2.93Å; D168-S173 PolarHBondContact O-N 3.29Å; D168-V175 HydrophobicContact CB-CG2 3.64Å |
| 169 | T | 94.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -25.7 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | F148 S152 R153 I155 | F148-T169 HydrophobicContact CD1-CG2 4.35Å; F148-T169 HydrophobicContact CE1-CG2 3.97Å; S152-T169 PolarHBondContact O-OG1 3.2Å; R153-T169 WeakPolarHBondContact O-CB 3.5Å; R153-T169 VanDerWaalsContact O-CG2 3.3Å; R153-T169 WeakPolarHBondContact O-CG2 3.42Å; R153-T169 PolarHBondContact O-N 3.03Å; R153-T169 PolarHBondContact O-OG1 3.36Å; I155-T169 HydrophobicContact CD1-CG2 3.69Å; I155-T169 HydrophobicContact CG1-CG2 3.66Å |
| 170 | E | 94.3 | Very high | 96.3 | Very high | 169 Ų | 169 | 49.9 Ų | 49.9 | 79% | 0.79 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -50.2 | 179 | -175.6 | 171.4 | -172.1 | 0 | 0 | 110.2 | D168 Q172 | D168-E170 PolarHBondContact OD1-N 3.26Å; E170-Q172 PolarHBondContact O-N 3.36Å |
| 171 | A | 95.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 52.8 Ų | 52.8 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D168 S173 | D168-A171 HydrophobicContact CB-CB 3.98Å; D168-A171 PolarHBondContact OD1-N 2.91Å; D168-A171 VanDerWaalsContact OD1-N 3.17Å; A171-S173 PolarHBondContact O-N 2.81Å; A171-S173 VanDerWaalsContact O-N 3.11Å |
| 172 | Q | 95.7 | Very high | 95.3 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.2 | 178.9 | -56.8 | 175 | 31.1 | 0 | 0 | 113.4 | F134 D168 E170 | F134-Q172 HydrophobicContact CD1-CG 4.07Å; F134-Q172 HydrophobicContact CD2-CB 4.38Å; F134-Q172 HydrophobicContact CD2-CG 4.11Å; F134-Q172 HydrophobicContact CE1-CG 3.97Å; F134-Q172 HydrophobicContact CE2-CB 4.38Å; F134-Q172 HydrophobicContact CE2-CG 4.01Å; F134-Q172 HydrophobicContact CG-CG 4.14Å; F134-Q172 HydrophobicContact CZ-CG 3.94Å; D168-Q172 VanDerWaalsContact O-CA 3.31Å; D168-Q172 WeakPolarHBondContact O-CA 3.35Å; D168-Q172 PolarHBondContact O-N 2.83Å; E170-Q172 PolarHBondContact O-N 3.36Å |
| 173 | S | 96 | Very high | 95.2 | Very high | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.7 | -171.7 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | W167 D168 A171 V175 | W167-S173 WeakPolarHBondContact CA-O 3.34Å; D168-S173 PolarHBondContact N-O 2.93Å; D168-S173 PolarHBondContact O-N 3.29Å; A171-S173 PolarHBondContact O-N 2.81Å; A171-S173 VanDerWaalsContact O-N 3.11Å; S173-V175 PolarHBondContact O-N 3.07Å |
| 174 | C | 96.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.3 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | L166 W167 H176 | L166-C174 CarbonylContact O-C 3.59Å; L166-C174 WeakPolarHBondContact O-CA 3.3Å; W167-C174 HydrophobicContact CD2-CB 4.35Å; W167-C174 HydrophobicContact CE3-CB 3.65Å; W167-C174 HydrophobicContact CH2-CB 4.31Å; W167-C174 HydrophobicContact CZ3-CB 3.63Å; C174-H176 PolarHBondContact SG-O 2.77Å |
| 175 | V | 96.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -45.5 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | L166 D168 S173 | L166-V175 HydrophobicContact CD2-CB 4.29Å; L166-V175 HydrophobicContact CD2-CG1 4.33Å; L166-V175 HydrophobicContact CG-CB 4.34Å; L166-V175 PolarHBondContact O-N 3.05Å; D168-V175 HydrophobicContact CB-CG2 3.64Å; S173-V175 PolarHBondContact O-N 3.07Å |
| 176 | H | 96.7 | Very high | 95 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.8 | -176.1 | -164.9 | 67.7 | 0 | 0 | 0 | 112.2 | L166 C174 F178 N214 | L166-H176 HydrophobicContact CB-CB 4.29Å; L166-H176 PolarHBondContact N-O 3.45Å; L166-H176 PolarHBondContact O-N 2.83Å; C174-H176 PolarHBondContact SG-O 2.77Å; H176-F178 AromaticContact CD2-CD1 3.9Å; H176-F178 AromaticContact CD2-CD2 3.87Å; H176-F178 AromaticContact CD2-CE1 3.76Å; H176-F178 AromaticContact CD2-CE2 3.71Å; H176-F178 AromaticContact CD2-CG 3.95Å; H176-F178 AromaticContact CD2-CZ 3.64Å; H176-N214 PolarHBondContact CD2-OD1 3.19Å |
| 177 | T | 97.3 | Very high | 95 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 111.2 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | T163 I164 K165 | T163-T177 HydrophobicContact CG2-CG2 3.94Å; I164-T177 CarbonylContact O-C 3.49Å; I164-T177 WeakPolarHBondContact O-CA 3.47Å; K165-T177 HydrophobicContact CG-CG2 4.13Å; K165-T177 PolarHBondContact NZ-OG1 2.99Å |
| 178 | F | 96.6 | Very high | 95 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 142.8 | 171 | -54.3 | -93.5 | 0 | 0 | 0 | 109.8 | T163 I164 L166 H176 F197 W209 L211 N214 | T163-F178 WeakPolarHBondContact CA-O 3.22Å; I164-F178 HydrophobicContact CB-CB 4.17Å; I164-F178 HydrophobicContact CG2-CD2 4.33Å; I164-F178 PolarHBondContact N-O 3.1Å; I164-F178 PolarHBondContact O-N 3.19Å; L166-F178 HydrophobicContact CB-CE2 4.31Å; H176-F178 AromaticContact CD2-CD1 3.9Å; H176-F178 AromaticContact CD2-CD2 3.87Å; H176-F178 AromaticContact CD2-CE1 3.76Å; H176-F178 AromaticContact CD2-CE2 3.71Å; H176-F178 AromaticContact CD2-CG 3.95Å; H176-F178 AromaticContact CD2-CZ 3.64Å; F178-F197 HydrophobicContact CD1-CZ 4.45Å; F178-F197 HydrophobicContact CD2-CE1 4.21Å; F178-F197 AromaticContact CD2-CZ 3.79Å; F178-F197 HydrophobicContact CD2-CZ 3.79Å; F178-F197 HydrophobicContact CE1-CE1 4.38Å; F178-F197 HydrophobicContact CE1-CZ 4.41Å; F178-F197 AromaticContact CE2-CE1 3.69Å; F178-F197 HydrophobicContact CE2-CE1 3.69Å; F178-F197 AromaticContact CE2-CZ 3.77Å; F178-F197 HydrophobicContact CE2-CZ 3.77Å; F178-F197 HydrophobicContact CG-CZ 4.16Å; F178-F197 AromaticContact CZ-CE1 3.8Å; F178-F197 HydrophobicContact CZ-CE1 3.8Å; F178-F197 HydrophobicContact CZ-CZ 4.11Å; F178-W209 HydrophobicContact CD1-CD2 4.38Å; F178-W209 AromaticContact CD1-CE3 3.8Å; F178-W209 HydrophobicContact CD1-CE3 3.8Å; F178-W209 HydrophobicContact CD1-CZ3 4.27Å; F178-W209 HydrophobicContact CE1-CE3 4.38Å; F178-L211 HydrophobicContact CZ-CD2 4.5Å; F178-N214 HydrophobicContact CE1-CB 4.17Å |
| 179 | Q | 94.8 | Very high | 95.1 | Very high | 156 Ų | 156 | 49.8 Ų | 49.8 | 73% | 0.729 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.8 | 178.6 | -65.8 | -175.7 | -10 | 0 | 0 | 110.4 | ||
| 180 | E | 90.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | trans | -96.2 | 131.5 | 173.2 | -75.1 | -74 | -176.6 | 0 | 0 | 110.2 | K162 I164 A185 S199 K207 W209 | K162-E180 PolarHBondContact O-N 3.36Å; I164-E180 HydrophobicContact CD1-CG 3.82Å; I164-E180 HydrophobicContact CG1-CG 4.32Å; E180-A185 HydrophobicContact CG-CB 4.45Å; E180-S199 PolarHBondContact OE1-OG 3.39Å; E180-K207 WeakPolarHBondContact OE2-CD 3.3Å; E180-K207 IonicContact OE2-NZ 3.85Å; E180-K207 PolarHBondContact OE2-NZ 2.8Å; E180-W209 WeakPolarHBondContact OE1-CZ2 3.17Å; E180-W209 PolarHBondContact OE1-NE1 2.79Å | ||
| 181 | S | 86.6 | Confident | 95.3 | Very high | 85 Ų | 85 | 42.4 Ų | 42.4 | 59% | 0.594 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -95.9 | 142.6 | 176 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | G183 N203 | S181-G183 PolarHBondContact O-N 3.24Å; S181-G183 VanDerWaalsContact O-N 3.08Å; S181-N203 PolarHBondContact O-ND2 2.57Å |
| 182 | G | 88.1 | Confident | 95.3 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 75% | 0.753 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 76 | -15.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 183 | G | 93.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -165.9 | -173.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S181 | S181-G183 PolarHBondContact O-N 3.24Å; S181-G183 VanDerWaalsContact O-N 3.08Å |
| 184 | F | 96.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 38 Ų | 38 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | trans | -114.9 | 153.7 | 170.4 | 55.6 | -98 | 0 | 0 | 0 | 109.7 | R144 S159 D160 K162 S186 S201 T202 | R144-F184 HydrophobicContact CG-CD2 4.39Å; R144-F184 HydrophobicContact CG-CE2 4.38Å; S159-F184 WeakPolarHBondContact O-CB 3.31Å; D160-F184 WeakPolarHBondContact OD1-CE2 3.42Å; K162-F184 HydrophobicContact CG-CB 4.42Å; F184-S186 PolarHBondContact O-N 3.41Å; F184-S201 WeakPolarHBondContact O-CA 3.33Å; F184-S201 WeakPolarHBondContact O-CB 3.43Å; F184-S201 PolarHBondContact O-OG 2.97Å; F184-T202 HydrophobicContact CD2-CG2 3.93Å; F184-T202 HydrophobicContact CE1-CG2 4.14Å; F184-T202 HydrophobicContact CE2-CG2 3.38Å; F184-T202 HydrophobicContact CG-CG2 4.5Å; F184-T202 HydrophobicContact CZ-CG2 3.51Å; F184-T202 PolarHBondContact N-OG1 3.48Å; F184-T202 VanDerWaalsContact N-OG1 3.16Å; F184-T202 PolarHBondContact O-N 2.84Å; F184-T202 PolarHBondContact O-OG1 2.68Å | ||
| 185 | A | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S158 I164 E180 L188 G200 | S158-A185 WeakPolarHBondContact CB-O 3.39Å; S158-A185 PolarHBondContact OG-O 3.01Å; I164-A185 HydrophobicContact CD1-CB 3.8Å; I164-A185 HydrophobicContact CG1-CB 3.95Å; E180-A185 HydrophobicContact CG-CB 4.45Å; A185-L188 HydrophobicContact CB-CD2 3.98Å; A185-G200 CarbonylContact C-O 3.51Å; A185-G200 WeakPolarHBondContact CA-O 3.36Å |
| 186 | S | 96.7 | Very high | 95 | Very high | 16 Ų | 16 | 37 Ų | 37 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -31.6 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | F184 G200 V227 | F184-S186 PolarHBondContact O-N 3.41Å; S186-G200 PolarHBondContact N-O 2.95Å; S186-G200 PolarHBondContact OG-O 2.83Å; S186-G200 VanDerWaalsContact OG-O 3.08Å; S186-V227 WeakPolarHBondContact CB-O 3.32Å; S186-V227 PolarHBondContact OG-O 2.63Å |
| 187 | H | 97.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 150.3 | -175.7 | -171.3 | -102.6 | 0 | 0 | 0 | 111 | W103 C145 R147 G200 H228 K229 V230 | W103-H187 AromaticContact CE2-CD2 3.74Å; W103-H187 AromaticContact CE2-NE2 3.5Å; W103-H187 AromaticContact CH2-CD2 3.66Å; W103-H187 AromaticContact CH2-NE2 3.57Å; W103-H187 AromaticContact CZ2-CD2 3.49Å; W103-H187 VanDerWaalsContact CZ2-CD2 3.49Å; W103-H187 WeakPolarHBondContact CZ2-CD2 3.5Å; W103-H187 AromaticContact CZ2-NE2 3.04Å; W103-H187 WeakPolarHBondContact CZ2-NE2 3.33Å; C145-H187 PolarHBondContact SG-CD2 2.84Å; R147-H187 PolarHBondContact NH2-NE2 2.83Å; H187-G200 PolarHBondContact O-N 2.79Å; H187-H228 WeakPolarHBondContact CB-O 3.11Å; H187-K229 HydrophobicContact CB-CD 4.49Å; H187-K229 PolarHBondContact CD2-NZ 2.93Å; H187-V230 PolarHBondContact CE1-O 3.31Å; H187-V230 PolarHBondContact ND1-N 3.03Å; H187-V230 VanDerWaalsContact ND1-N 3.18Å; H187-V230 PolarHBondContact ND1-O 2.83Å; H187-V230 VanDerWaalsContact ND1-O 3.14Å |
| 188 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.4 | -177.7 | -58.5 | 175.2 | 0 | 0 | 0 | 109.4 | R147 I156 I164 A185 F197 A198 | R147-L188 WeakPolarHBondContact CG-O 3.36Å; R147-L188 PolarHBondContact NE-O 2.98Å; I156-L188 HydrophobicContact CB-CD1 4.07Å; I156-L188 HydrophobicContact CD1-CB 3.75Å; I156-L188 HydrophobicContact CD1-CD1 4.09Å; I156-L188 HydrophobicContact CD1-CG 4.5Å; I156-L188 HydrophobicContact CG1-CB 4.23Å; I156-L188 HydrophobicContact CG1-CD1 3.91Å; I164-L188 HydrophobicContact CD1-CD2 3.73Å; I164-L188 HydrophobicContact CG1-CD2 4.08Å; I164-L188 HydrophobicContact CG2-CD1 3.74Å; I164-L188 HydrophobicContact CG2-CD2 4.28Å; A185-L188 HydrophobicContact CB-CD2 3.98Å; L188-F197 HydrophobicContact CD2-CD2 4.27Å; L188-F197 HydrophobicContact CD2-CE2 4.33Å; L188-A198 WeakPolarHBondContact CA-O 3.22Å |
| 189 | D | 97.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.3 | 172.4 | -155.1 | 44.7 | 0 | 0 | 0 | 111.4 | R147 F197 A198 V230 A231 C232 | R147-D189 IonicContact NE-OD1 2.73Å; D189-F197 CarbonylContact O-C 3.55Å; D189-F197 VanDerWaalsContact O-CA 3.27Å; D189-F197 WeakPolarHBondContact O-CA 3.29Å; D189-F197 WeakPolarHBondContact O-CB 3.46Å; D189-A198 PolarHBondContact N-O 2.78Å; D189-A198 VanDerWaalsContact N-O 3.07Å; D189-A198 PolarHBondContact O-N 2.86Å; D189-V230 HydrophobicContact CB-CG2 4.24Å; D189-A231 WeakPolarHBondContact OD2-CA 3.42Å; D189-C232 PolarHBondContact OD2-N 2.81Å |
| 190 | F | 97.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 24.2 Ų | 24.2 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143.5 | 176.2 | -80.2 | -84.5 | 0 | 0 | 0 | 110.7 | R147 F148 S149 P150 I156 F197 L211 | R147-F190 HydrophobicContact CB-CD2 3.86Å; R147-F190 HydrophobicContact CB-CE2 3.9Å; F148-F190 WeakPolarHBondContact O-CD2 3.35Å; F148-F190 WeakPolarHBondContact O-CE2 3.25Å; S149-F190 VanDerWaalsContact N-CE2 3.25Å; P150-F190 HydrophobicContact CG-CB 4.44Å; I156-F190 HydrophobicContact CB-CE2 4.21Å; I156-F190 HydrophobicContact CB-CZ 4.06Å; I156-F190 HydrophobicContact CD1-CD1 4.37Å; I156-F190 HydrophobicContact CD1-CD2 3.68Å; I156-F190 HydrophobicContact CD1-CE1 4.2Å; I156-F190 HydrophobicContact CD1-CE2 3.49Å; I156-F190 VanDerWaalsContact CD1-CE2 3.49Å; I156-F190 HydrophobicContact CD1-CG 4.15Å; I156-F190 HydrophobicContact CD1-CZ 3.79Å; I156-F190 HydrophobicContact CG1-CD2 4.07Å; I156-F190 HydrophobicContact CG1-CE2 3.41Å; I156-F190 VanDerWaalsContact CG1-CE2 3.41Å; I156-F190 HydrophobicContact CG1-CZ 3.74Å; I156-F190 HydrophobicContact CG2-CE1 3.98Å; I156-F190 HydrophobicContact CG2-CE2 4.11Å; I156-F190 HydrophobicContact CG2-CZ 3.47Å; I156-F190 VanDerWaalsContact CG2-CZ 3.47Å; F190-F197 HydrophobicContact CD1-CB 4.16Å; F190-L211 HydrophobicContact CD1-CD1 3.91Å; F190-L211 HydrophobicContact CE1-CD1 3.58Å; F190-L211 HydrophobicContact CE1-CD2 4.49Å |
| 191 | H | 96.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -66.2 | 141.6 | 163.6 | -174.4 | -94.9 | 0 | 0 | 0 | 109.4 | S193 G194 C196 G236 | H191-S193 VanDerWaalsContact ND1-CB 3.29Å; H191-S193 WeakPolarHBondContact ND1-CB 3.47Å; H191-S193 PolarHBondContact ND1-N 3.47Å; H191-S193 VanDerWaalsContact ND1-N 3.14Å; H191-S193 PolarHBondContact ND1-OG 3.48Å; H191-S193 PolarHBondContact O-N 2.92Å; H191-G194 PolarHBondContact O-N 2.88Å; H191-C196 VanDerWaalsContact CB-O 3.27Å; H191-C196 WeakPolarHBondContact CB-O 3.35Å; H191-C196 WeakPolarHBondContact CB-SG 3.49Å; H191-C196 VanDerWaalsContact CG-SG 3.53Å; H191-C196 PolarHBondContact N-O 2.85Å; H191-G236 VanDerWaalsContact NE2-C 3.33Å; H191-G236 WeakPolarHBondContact NE2-CA 3.42Å; H191-G236 PolarHBondContact NE2-O 3.35Å | ||
| 192 | P | 94.8 | Very high | 96 | Very high | 55 Ų | 55 | 21.7 Ų | 21.7 | 36% | 0.357 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.7 | -178.1 | 20.7 | -34.7 | 0 | 0 | 0 | 114.1 | G194 | P192-G194 VanDerWaalsContact C-N 3.26Å; P192-G194 PolarHBondContact O-N 3.47Å |
| 193 | S | 94.2 | Very high | 96.4 | Very high | 52 Ų | 52 | 20.1 Ų | 20.1 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.5 | 174.7 | 83.4 | 0 | 0 | 0 | 0 | 114.7 | H191 N195 | H191-S193 VanDerWaalsContact ND1-CB 3.29Å; H191-S193 WeakPolarHBondContact ND1-CB 3.47Å; H191-S193 PolarHBondContact ND1-N 3.47Å; H191-S193 VanDerWaalsContact ND1-N 3.14Å; H191-S193 PolarHBondContact ND1-OG 3.48Å; H191-S193 PolarHBondContact O-N 2.92Å; S193-N195 PolarHBondContact O-N 2.72Å; S193-N195 PolarHBondContact OG-N 2.83Å |
| 194 | G | 94.2 | Very high | 96.5 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 25% | 0.247 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 71.9 | 2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | H191 P192 L211 | H191-G194 PolarHBondContact O-N 2.88Å; P192-G194 VanDerWaalsContact C-N 3.26Å; P192-G194 PolarHBondContact O-N 3.47Å; G194-L211 VanDerWaalsContact O-CD1 3.28Å; G194-L211 WeakPolarHBondContact O-CD1 3.23Å |
| 195 | N | 94.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 19.6 Ų | 19.6 | 43% | 0.428 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -94.8 | -17.3 | -174 | -65.3 | -31.4 | 0 | 0 | 0 | 114.1 | S193 L211 | S193-N195 PolarHBondContact O-N 2.72Å; S193-N195 PolarHBondContact OG-N 2.83Å; N195-L211 WeakPolarHBondContact O-CB 3.39Å; N195-L211 PolarHBondContact O-N 2.87Å |
| 196 | C | 96.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 166.9 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | H191 L208 W209 L217 | H191-C196 VanDerWaalsContact CB-O 3.27Å; H191-C196 WeakPolarHBondContact CB-O 3.35Å; H191-C196 WeakPolarHBondContact CB-SG 3.49Å; H191-C196 VanDerWaalsContact CG-SG 3.53Å; H191-C196 PolarHBondContact N-O 2.85Å; C196-L208 HydrophobicContact CB-CD1 4.45Å; C196-L208 HydrophobicContact CB-CG 4.44Å; C196-W209 CarbonylContact C-O 3.51Å; C196-W209 WeakPolarHBondContact CA-O 3.15Å; C196-W209 WeakPolarHBondContact CB-O 3.4Å; C196-L217 HydrophobicContact CB-CD1 4.05Å |
| 197 | F | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.8 | 173.5 | 65.3 | -87.4 | 0 | 0 | 0 | 110.4 | I156 I164 F178 L188 D189 F190 W209 L211 | I156-F197 HydrophobicContact CD1-CB 3.76Å; I156-F197 HydrophobicContact CD1-CD2 4.16Å; I156-F197 HydrophobicContact CD1-CG 3.95Å; I156-F197 HydrophobicContact CG2-CD1 4.45Å; I164-F197 HydrophobicContact CD1-CE2 4.11Å; I164-F197 HydrophobicContact CG2-CE2 3.95Å; I164-F197 HydrophobicContact CG2-CZ 4.06Å; F178-F197 HydrophobicContact CD1-CZ 4.45Å; F178-F197 HydrophobicContact CD2-CE1 4.21Å; F178-F197 AromaticContact CD2-CZ 3.79Å; F178-F197 HydrophobicContact CD2-CZ 3.79Å; F178-F197 HydrophobicContact CE1-CE1 4.38Å; F178-F197 HydrophobicContact CE1-CZ 4.41Å; F178-F197 AromaticContact CE2-CE1 3.69Å; F178-F197 HydrophobicContact CE2-CE1 3.69Å; F178-F197 AromaticContact CE2-CZ 3.77Å; F178-F197 HydrophobicContact CE2-CZ 3.77Å; F178-F197 HydrophobicContact CG-CZ 4.16Å; F178-F197 AromaticContact CZ-CE1 3.8Å; F178-F197 HydrophobicContact CZ-CE1 3.8Å; F178-F197 HydrophobicContact CZ-CZ 4.11Å; L188-F197 HydrophobicContact CD2-CD2 4.27Å; L188-F197 HydrophobicContact CD2-CE2 4.33Å; D189-F197 CarbonylContact O-C 3.55Å; D189-F197 VanDerWaalsContact O-CA 3.27Å; D189-F197 WeakPolarHBondContact O-CA 3.29Å; D189-F197 WeakPolarHBondContact O-CB 3.46Å; F190-F197 HydrophobicContact CD1-CB 4.16Å; F197-W209 HydrophobicContact CD1-CB 4.08Å; F197-W209 HydrophobicContact CD2-CB 4.32Å; F197-W209 HydrophobicContact CD2-CG 4.47Å; F197-W209 HydrophobicContact CE1-CB 3.56Å; F197-W209 HydrophobicContact CE1-CG 4.3Å; F197-W209 HydrophobicContact CE2-CB 3.81Å; F197-W209 AromaticContact CE2-CD1 3.41Å; F197-W209 VanDerWaalsContact CE2-CD1 3.41Å; F197-W209 AromaticContact CE2-CG 3.73Å; F197-W209 HydrophobicContact CE2-CG 3.73Å; F197-W209 HydrophobicContact CG-CB 4.44Å; F197-W209 HydrophobicContact CZ-CB 3.41Å; F197-W209 VanDerWaalsContact CZ-CB 3.41Å; F197-W209 AromaticContact CZ-CD1 3.84Å; F197-W209 HydrophobicContact CZ-CD2 4.5Å; F197-W209 AromaticContact CZ-CG 3.65Å; F197-W209 HydrophobicContact CZ-CG 3.65Å; F197-W209 PolarHBondContact N-O 2.89Å; F197-W209 PolarHBondContact O-N 3.18Å; F197-L211 HydrophobicContact CD1-CD1 4.3Å; F197-L211 HydrophobicContact CD1-CD2 3.49Å; F197-L211 VanDerWaalsContact CD1-CD2 3.49Å; F197-L211 HydrophobicContact CD1-CG 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.57Å; F197-L211 HydrophobicContact CE1-CG 4.17Å |
| 198 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L188 D189 K207 L208 V230 L239 | L188-A198 WeakPolarHBondContact CA-O 3.22Å; D189-A198 PolarHBondContact N-O 2.78Å; D189-A198 VanDerWaalsContact N-O 3.07Å; D189-A198 PolarHBondContact O-N 2.86Å; A198-K207 CarbonylContact C-O 3.53Å; A198-K207 VanDerWaalsContact CA-O 3.25Å; A198-K207 WeakPolarHBondContact CA-O 3.49Å; A198-L208 HydrophobicContact CB-CD1 4.2Å; A198-V230 HydrophobicContact CB-CB 4.42Å; A198-V230 HydrophobicContact CB-CG2 4.26Å; A198-L239 HydrophobicContact CB-CD1 3.57Å; A198-L239 HydrophobicContact CB-CD2 3.99Å; A198-L239 HydrophobicContact CB-CG 4.47Å |
| 199 | S | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.3 | 169.1 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | E180 V206 K207 W209 | E180-S199 PolarHBondContact OE1-OG 3.39Å; S199-V206 WeakPolarHBondContact O-CA 3.34Å; S199-K207 PolarHBondContact N-O 3.21Å; S199-K207 PolarHBondContact O-N 2.88Å; S199-W209 PolarHBondContact OG-NE1 3.34Å |
| 200 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A185 S186 H187 | A185-G200 CarbonylContact C-O 3.51Å; A185-G200 WeakPolarHBondContact CA-O 3.36Å; S186-G200 PolarHBondContact N-O 2.95Å; S186-G200 PolarHBondContact OG-O 2.83Å; S186-G200 VanDerWaalsContact OG-O 3.08Å; H187-G200 PolarHBondContact O-N 2.79Å |
| 201 | S | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 158.4 | -172.8 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | F184 N203 C204 T205 V227 | F184-S201 WeakPolarHBondContact O-CA 3.33Å; F184-S201 WeakPolarHBondContact O-CB 3.43Å; F184-S201 PolarHBondContact O-OG 2.97Å; S201-N203 WeakPolarHBondContact CB-OD1 3.38Å; S201-N203 PolarHBondContact O-N 2.88Å; S201-N203 PolarHBondContact OG-OD1 3.29Å; S201-N203 VanDerWaalsContact OG-OD1 3.13Å; S201-C204 PolarHBondContact O-N 3.09Å; S201-T205 PolarHBondContact N-O 3.36Å; S201-V227 PolarHBondContact O-N 3.42Å |
| 202 | T | 96.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.3 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | F184 C204 P226 | F184-T202 HydrophobicContact CD2-CG2 3.93Å; F184-T202 HydrophobicContact CE1-CG2 4.14Å; F184-T202 HydrophobicContact CE2-CG2 3.38Å; F184-T202 HydrophobicContact CG-CG2 4.5Å; F184-T202 HydrophobicContact CZ-CG2 3.51Å; F184-T202 PolarHBondContact N-OG1 3.48Å; F184-T202 VanDerWaalsContact N-OG1 3.16Å; F184-T202 PolarHBondContact O-N 2.84Å; F184-T202 PolarHBondContact O-OG1 2.68Å; T202-C204 PolarHBondContact O-N 3.23Å; T202-P226 HydrophobicContact CG2-CB 4.48Å |
| 203 | N | 95.5 | Very high | 96.1 | Very high | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.214 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 16.7 | 170.5 | 66.6 | 4.1 | 0 | 0 | 0 | 112.9 | S181 S201 T205 | S181-N203 PolarHBondContact O-ND2 2.57Å; S201-N203 WeakPolarHBondContact CB-OD1 3.38Å; S201-N203 PolarHBondContact O-N 2.88Å; S201-N203 PolarHBondContact OG-OD1 3.29Å; S201-N203 VanDerWaalsContact OG-OD1 3.13Å; N203-T205 VanDerWaalsContact CG-OG1 3.31Å; N203-T205 PolarHBondContact ND2-OG1 3.45Å; N203-T205 PolarHBondContact O-N 3.26Å; N203-T205 VanDerWaalsContact OD1-CB 3.32Å; N203-T205 WeakPolarHBondContact OD1-CB 3.04Å; N203-T205 WeakPolarHBondContact OD1-CG2 3.49Å; N203-T205 PolarHBondContact OD1-N 2.58Å; N203-T205 PolarHBondContact OD1-OG1 3.48Å |
| 204 | C | 96.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 68.9 | 7.7 | -178.8 | -43.5 | 0 | 0 | 0 | 0 | 115.4 | S201 T202 H223 G225 | S201-C204 PolarHBondContact O-N 3.09Å; T202-C204 PolarHBondContact O-N 3.23Å; C204-H223 HydrophobicContact CB-CB 4.47Å; C204-H223 WeakPolarHBondContact CB-O 3.32Å; C204-G225 WeakPolarHBondContact CA-O 3.44Å; C204-G225 WeakPolarHBondContact CB-O 3.25Å; C204-G225 VanDerWaalsContact SG-CA 3.57Å |
| 205 | T | 96.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | trans | -98.3 | 151.7 | -177.8 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | S201 N203 H219 Y220 D221 | S201-T205 PolarHBondContact N-O 3.36Å; N203-T205 VanDerWaalsContact CG-OG1 3.31Å; N203-T205 PolarHBondContact ND2-OG1 3.45Å; N203-T205 PolarHBondContact O-N 3.26Å; N203-T205 VanDerWaalsContact OD1-CB 3.32Å; N203-T205 WeakPolarHBondContact OD1-CB 3.04Å; N203-T205 WeakPolarHBondContact OD1-CG2 3.49Å; N203-T205 PolarHBondContact OD1-N 2.58Å; N203-T205 PolarHBondContact OD1-OG1 3.48Å; T205-H219 WeakPolarHBondContact CB-NE2 3.27Å; T205-H219 VanDerWaalsContact CG2-NE2 3.34Å; T205-H219 WeakPolarHBondContact CG2-NE2 3.4Å; T205-Y220 WeakPolarHBondContact CA-O 3.22Å; T205-D221 WeakPolarHBondContact CG2-OD1 3.2Å | ||
| 206 | V | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.3 | 166.5 | -178.1 | 0 | 0 | 0 | 0 | 108 | S199 Y220 V227 V230 L239 F251 | S199-V206 WeakPolarHBondContact O-CA 3.34Å; V206-Y220 HydrophobicContact CB-CD2 4.38Å; V206-Y220 HydrophobicContact CG1-CD2 4.4Å; V206-Y220 PolarHBondContact N-O 3.34Å; V206-Y220 WeakPolarHBondContact O-CB 3.45Å; V206-Y220 WeakPolarHBondContact O-CD2 3.4Å; V206-Y220 PolarHBondContact O-N 2.85Å; V206-V227 HydrophobicContact CG2-CG1 4.21Å; V206-V227 HydrophobicContact CG2-CG2 3.88Å; V206-V230 HydrophobicContact CG1-CG1 4.08Å; V206-V230 HydrophobicContact CG2-CG1 4.5Å; V206-L239 HydrophobicContact CG1-CD2 3.5Å; V206-L239 VanDerWaalsContact CG1-CD2 3.5Å; V206-F251 HydrophobicContact CG2-CE2 4.27Å; V206-F251 HydrophobicContact CG2-CZ 4.4Å |
| 207 | K | 96.6 | Very high | 96 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.2 | -177.3 | -70.1 | 176.8 | -171.5 | 173.3 | 0 | 110.8 | E180 A198 S199 W209 L216 Q218 | E180-K207 WeakPolarHBondContact OE2-CD 3.3Å; E180-K207 IonicContact OE2-NZ 3.85Å; E180-K207 PolarHBondContact OE2-NZ 2.8Å; A198-K207 CarbonylContact C-O 3.53Å; A198-K207 VanDerWaalsContact CA-O 3.25Å; A198-K207 WeakPolarHBondContact CA-O 3.49Å; S199-K207 PolarHBondContact N-O 3.21Å; S199-K207 PolarHBondContact O-N 2.88Å; K207-W209 HydrophobicContact CB-CZ2 4.39Å; K207-W209 HydrophobicContact CD-CZ2 3.71Å; K207-L216 HydrophobicContact CB-CD1 3.66Å; K207-L216 HydrophobicContact CD-CD1 3.93Å; K207-L216 HydrophobicContact CG-CD1 3.86Å; K207-Q218 WeakPolarHBondContact CA-O 3.29Å |
| 208 | L | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.1 | 172.5 | -169.9 | 75.1 | 0 | 0 | 0 | 109 | C196 A198 L217 Q218 L253 I334 | C196-L208 HydrophobicContact CB-CD1 4.45Å; C196-L208 HydrophobicContact CB-CG 4.44Å; A198-L208 HydrophobicContact CB-CD1 4.2Å; L208-L217 HydrophobicContact CB-CB 4.46Å; L208-L217 HydrophobicContact CD2-CB 4.3Å; L208-L217 HydrophobicContact CD2-CD1 4.16Å; L208-L217 HydrophobicContact CG-CB 4.48Å; L208-L217 HydrophobicContact CG-CD1 4.39Å; L208-L217 WeakPolarHBondContact O-CB 3.25Å; L208-L217 PolarHBondContact O-N 2.62Å; L208-Q218 HydrophobicContact CB-CB 4.02Å; L208-Q218 HydrophobicContact CD2-CG 4.49Å; L208-Q218 PolarHBondContact N-O 3.02Å; L208-Q218 PolarHBondContact O-N 3.03Å; L208-L253 HydrophobicContact CD2-CD2 4.3Å; L208-I334 HydrophobicContact CD2-CD1 4.38Å |
| 209 | W | 96.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.8 | -173.8 | -59.2 | 88.7 | 0 | 0 | 0 | 111.2 | F178 E180 C196 F197 S199 K207 L216 | F178-W209 HydrophobicContact CD1-CD2 4.38Å; F178-W209 AromaticContact CD1-CE3 3.8Å; F178-W209 HydrophobicContact CD1-CE3 3.8Å; F178-W209 HydrophobicContact CD1-CZ3 4.27Å; F178-W209 HydrophobicContact CE1-CE3 4.38Å; E180-W209 WeakPolarHBondContact OE1-CZ2 3.17Å; E180-W209 PolarHBondContact OE1-NE1 2.79Å; C196-W209 CarbonylContact C-O 3.51Å; C196-W209 WeakPolarHBondContact CA-O 3.15Å; C196-W209 WeakPolarHBondContact CB-O 3.4Å; F197-W209 HydrophobicContact CD1-CB 4.08Å; F197-W209 HydrophobicContact CD2-CB 4.32Å; F197-W209 HydrophobicContact CD2-CG 4.47Å; F197-W209 HydrophobicContact CE1-CB 3.56Å; F197-W209 HydrophobicContact CE1-CG 4.3Å; F197-W209 HydrophobicContact CE2-CB 3.81Å; F197-W209 AromaticContact CE2-CD1 3.41Å; F197-W209 VanDerWaalsContact CE2-CD1 3.41Å; F197-W209 AromaticContact CE2-CG 3.73Å; F197-W209 HydrophobicContact CE2-CG 3.73Å; F197-W209 HydrophobicContact CG-CB 4.44Å; F197-W209 HydrophobicContact CZ-CB 3.41Å; F197-W209 VanDerWaalsContact CZ-CB 3.41Å; F197-W209 AromaticContact CZ-CD1 3.84Å; F197-W209 HydrophobicContact CZ-CD2 4.5Å; F197-W209 AromaticContact CZ-CG 3.65Å; F197-W209 HydrophobicContact CZ-CG 3.65Å; F197-W209 PolarHBondContact N-O 2.89Å; F197-W209 PolarHBondContact O-N 3.18Å; S199-W209 PolarHBondContact OG-NE1 3.34Å; K207-W209 HydrophobicContact CB-CZ2 4.39Å; K207-W209 HydrophobicContact CD-CZ2 3.71Å; W209-L216 HydrophobicContact CD2-CD1 3.98Å; W209-L216 HydrophobicContact CE3-CB 4.02Å; W209-L216 HydrophobicContact CE3-CD1 4.16Å; W209-L216 HydrophobicContact CH2-CB 4.4Å; W209-L216 HydrophobicContact CH2-CD1 4.15Å; W209-L216 HydrophobicContact CZ2-CD1 3.95Å; W209-L216 HydrophobicContact CZ3-CB 3.89Å; W209-L216 HydrophobicContact CZ3-CD1 4.24Å |
| 210 | D | 96.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.3 | 172.5 | -166.2 | -54 | 0 | 0 | 0 | 110.2 | R212 M213 N214 R215 L217 | D210-R212 WeakPolarHBondContact OD1-CA 3.19Å; D210-R212 WeakPolarHBondContact OD1-CB 3.38Å; D210-R212 PolarHBondContact OD1-N 3.04Å; D210-M213 HydrophobicContact CB-CB 4.15Å; D210-M213 PolarHBondContact OD1-N 3.31Å; D210-N214 VanDerWaalsContact O-CA 3.24Å; D210-N214 WeakPolarHBondContact O-CA 3.39Å; D210-N214 PolarHBondContact O-N 2.91Å; D210-R215 HydrophobicContact CB-CG 4.29Å; D210-R215 PolarHBondContact N-O 3.2Å; D210-R215 PolarHBondContact O-N 3.24Å; D210-L217 HydrophobicContact CB-CD1 3.79Å; D210-L217 HydrophobicContact CB-CD2 3.88Å; D210-L217 HydrophobicContact CB-CG 3.73Å |
| 211 | L | 95 | Very high | 95.5 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -31.4 | 179.5 | -71.9 | 161.6 | 0 | 0 | 0 | 113 | L166 F178 F190 G194 N195 F197 N214 | L166-L211 HydrophobicContact CD1-CD2 3.79Å; L166-L211 HydrophobicContact CD2-CD2 3.91Å; L166-L211 HydrophobicContact CG-CD2 4.44Å; F178-L211 HydrophobicContact CZ-CD2 4.5Å; F190-L211 HydrophobicContact CD1-CD1 3.91Å; F190-L211 HydrophobicContact CE1-CD1 3.58Å; F190-L211 HydrophobicContact CE1-CD2 4.49Å; G194-L211 VanDerWaalsContact O-CD1 3.28Å; G194-L211 WeakPolarHBondContact O-CD1 3.23Å; N195-L211 WeakPolarHBondContact O-CB 3.39Å; N195-L211 PolarHBondContact O-N 2.87Å; F197-L211 HydrophobicContact CD1-CD1 4.3Å; F197-L211 HydrophobicContact CD1-CD2 3.49Å; F197-L211 VanDerWaalsContact CD1-CD2 3.49Å; F197-L211 HydrophobicContact CD1-CG 3.77Å; F197-L211 HydrophobicContact CE1-CD2 3.57Å; F197-L211 HydrophobicContact CE1-CG 4.17Å; L211-N214 PolarHBondContact O-OD1 3.29Å |
| 212 | R | 93.2 | Very high | 95 | Very high | 191 Ų | 191 | 48.8 Ų | 48.8 | 72% | 0.721 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -41.4 | -177.9 | -175.6 | 179.9 | 63 | 83.2 | -3.3 | 111.1 | D210 | D210-R212 WeakPolarHBondContact OD1-CA 3.19Å; D210-R212 WeakPolarHBondContact OD1-CB 3.38Å; D210-R212 PolarHBondContact OD1-N 3.04Å |
| 213 | M | 94.4 | Very high | 95 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -8.3 | 179.5 | -62.3 | -163.6 | -176.1 | 0 | 0 | 113.3 | D210 R215 | D210-M213 HydrophobicContact CB-CB 4.15Å; D210-M213 PolarHBondContact OD1-N 3.31Å; M213-R215 VanDerWaalsContact C-N 3.28Å; M213-R215 HydrophobicContact CB-CG 3.84Å; M213-R215 PolarHBondContact O-N 3.35Å; M213-R215 PolarHBondContact SD-NE 3.01Å |
| 214 | N | 93.8 | Very high | 95 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 43.8 | -176.4 | -65.6 | -46.3 | 0 | 0 | 0 | 113.4 | H176 F178 D210 L211 | H176-N214 PolarHBondContact CD2-OD1 3.19Å; F178-N214 HydrophobicContact CE1-CB 4.17Å; D210-N214 VanDerWaalsContact O-CA 3.24Å; D210-N214 WeakPolarHBondContact O-CA 3.39Å; D210-N214 PolarHBondContact O-N 2.91Å; L211-N214 PolarHBondContact O-OD1 3.29Å |
| 215 | R | 94.2 | Very high | 95.1 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 157.7 | -175 | 74.6 | -178.1 | -174.2 | 164.7 | 3.9 | 112.7 | D210 M213 S336 | D210-R215 HydrophobicContact CB-CG 4.29Å; D210-R215 PolarHBondContact N-O 3.2Å; D210-R215 PolarHBondContact O-N 3.24Å; M213-R215 VanDerWaalsContact C-N 3.28Å; M213-R215 HydrophobicContact CB-CG 3.84Å; M213-R215 PolarHBondContact O-N 3.35Å; M213-R215 PolarHBondContact SD-NE 3.01Å; R215-S336 PolarHBondContact NH2-OG 3.15Å |
| 216 | L | 95.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.2 | 170.6 | -174 | 67.4 | 0 | 0 | 0 | 109.9 | K207 W209 Q218 H219 | K207-L216 HydrophobicContact CB-CD1 3.66Å; K207-L216 HydrophobicContact CD-CD1 3.93Å; K207-L216 HydrophobicContact CG-CD1 3.86Å; W209-L216 HydrophobicContact CD2-CD1 3.98Å; W209-L216 HydrophobicContact CE3-CB 4.02Å; W209-L216 HydrophobicContact CE3-CD1 4.16Å; W209-L216 HydrophobicContact CH2-CB 4.4Å; W209-L216 HydrophobicContact CH2-CD1 4.15Å; W209-L216 HydrophobicContact CZ2-CD1 3.95Å; W209-L216 HydrophobicContact CZ3-CB 3.89Å; W209-L216 HydrophobicContact CZ3-CD1 4.24Å; L216-Q218 WeakPolarHBondContact CD1-O 3.3Å; L216-H219 HydrophobicContact CD2-CB 4.23Å |
| 217 | L | 94.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -47.9 | 175.2 | -69 | 174.3 | 0 | 0 | 0 | 111.8 | C196 L208 D210 I334 | C196-L217 HydrophobicContact CB-CD1 4.05Å; L208-L217 HydrophobicContact CB-CB 4.46Å; L208-L217 HydrophobicContact CD2-CB 4.3Å; L208-L217 HydrophobicContact CD2-CD1 4.16Å; L208-L217 HydrophobicContact CG-CB 4.48Å; L208-L217 HydrophobicContact CG-CD1 4.39Å; L208-L217 WeakPolarHBondContact O-CB 3.25Å; L208-L217 PolarHBondContact O-N 2.62Å; D210-L217 HydrophobicContact CB-CD1 3.79Å; D210-L217 HydrophobicContact CB-CD2 3.88Å; D210-L217 HydrophobicContact CB-CG 3.73Å; L217-I334 HydrophobicContact CD1-CD1 4.05Å |
| 218 | Q | 95.2 | Very high | 95.1 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.6 | -175.8 | -64.7 | 174.7 | -14.4 | 0 | 0 | 110.3 | K207 L208 L216 Y220 L253 | K207-Q218 WeakPolarHBondContact CA-O 3.29Å; L208-Q218 HydrophobicContact CB-CB 4.02Å; L208-Q218 HydrophobicContact CD2-CG 4.49Å; L208-Q218 PolarHBondContact N-O 3.02Å; L208-Q218 PolarHBondContact O-N 3.03Å; L216-Q218 WeakPolarHBondContact CD1-O 3.3Å; Q218-Y220 HydrophobicContact CB-CE2 3.81Å; Q218-Y220 VanDerWaalsContact CD-OH 3.25Å; Q218-Y220 PolarHBondContact OE1-OH 3.33Å; Q218-L253 PolarHBondContact NE2-O 3.13Å |
| 219 | H | 95 | Very high | 95.2 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 40% | 0.398 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.5 | 179.3 | -178.8 | -145.9 | 0 | 0 | 0 | 109.8 | T205 L216 D221 | T205-H219 WeakPolarHBondContact CB-NE2 3.27Å; T205-H219 VanDerWaalsContact CG2-NE2 3.34Å; T205-H219 WeakPolarHBondContact CG2-NE2 3.4Å; L216-H219 HydrophobicContact CD2-CB 4.23Å; H219-D221 IonicContact CE1-OD1 3.26Å; H219-D221 PolarHBondContact CE1-OD1 3.32Å; H219-D221 VanDerWaalsContact CE1-OD1 3.23Å; H219-D221 IonicContact CE1-OD2 3.23Å; H219-D221 PolarHBondContact CE1-OD2 3Å; H219-D221 IonicContact ND1-OD2 3.4Å; H219-D221 IonicContact NE2-OD1 3.81Å; H219-D221 PolarHBondContact NE2-OD1 3.04Å |
| 220 | Y | 95.5 | Very high | 95.2 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 6% | 0.059 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 109.4 | -177.4 | -57.9 | -78.9 | 0 | 0 | 0 | 111 | T205 V206 Q218 A222 F251 G256 | T205-Y220 WeakPolarHBondContact CA-O 3.22Å; V206-Y220 HydrophobicContact CB-CD2 4.38Å; V206-Y220 HydrophobicContact CG1-CD2 4.4Å; V206-Y220 PolarHBondContact N-O 3.34Å; V206-Y220 WeakPolarHBondContact O-CB 3.45Å; V206-Y220 WeakPolarHBondContact O-CD2 3.4Å; V206-Y220 PolarHBondContact O-N 2.85Å; Q218-Y220 HydrophobicContact CB-CE2 3.81Å; Q218-Y220 VanDerWaalsContact CD-OH 3.25Å; Q218-Y220 PolarHBondContact OE1-OH 3.33Å; Y220-A222 VanDerWaalsContact C-N 3.27Å; Y220-A222 PolarHBondContact O-N 3.36Å; Y220-F251 AromaticContact CD1-CD1 3.72Å; Y220-F251 HydrophobicContact CD1-CD1 3.72Å; Y220-F251 HydrophobicContact CD1-CE1 4.01Å; Y220-F251 HydrophobicContact CD2-CD1 4.44Å; Y220-F251 AromaticContact CE1-CD1 3.96Å; Y220-F251 HydrophobicContact CE1-CD1 3.96Å; Y220-F251 AromaticContact CG-CD1 3.96Å; Y220-F251 HydrophobicContact CG-CD1 3.96Å; Y220-F251 AromaticContact CG-CE1 3.99Å; Y220-F251 HydrophobicContact CG-CE1 3.99Å; Y220-G256 WeakPolarHBondContact CE1-O 3.17Å; Y220-G256 VanDerWaalsContact OH-CA 3.31Å; Y220-G256 WeakPolarHBondContact OH-CA 3.42Å |
| 221 | D | 94 | Very high | 95.3 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | trans | -87.1 | 63.6 | 169.6 | -64.7 | -52 | 0 | 0 | 0 | 110 | T205 H219 | T205-D221 WeakPolarHBondContact CG2-OD1 3.2Å; H219-D221 IonicContact CE1-OD1 3.26Å; H219-D221 PolarHBondContact CE1-OD1 3.32Å; H219-D221 VanDerWaalsContact CE1-OD1 3.23Å; H219-D221 IonicContact CE1-OD2 3.23Å; H219-D221 PolarHBondContact CE1-OD2 3Å; H219-D221 IonicContact ND1-OD2 3.4Å; H219-D221 IonicContact NE2-OD1 3.81Å; H219-D221 PolarHBondContact NE2-OD1 3.04Å | ||
| 222 | A | 86.7 | Confident | 95.4 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | trans | -103.5 | -26 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y220 K249 F251 | Y220-A222 VanDerWaalsContact C-N 3.27Å; Y220-A222 PolarHBondContact O-N 3.36Å; A222-K249 HydrophobicContact CB-CD 3.86Å; A222-K249 WeakPolarHBondContact O-CD 3.43Å; A222-K249 WeakPolarHBondContact O-CE 3.25Å; A222-K249 PolarHBondContact O-NZ 3.18Å; A222-F251 HydrophobicContact CB-CE1 3.53Å; A222-F251 HydrophobicContact CB-CZ 3.62Å | ||
| 223 | H | 95.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 6% | 0.06 | 23% | 0.227 | C | C | . | . | trans | -101.7 | 155.3 | -176.9 | -78.5 | -74 | 0 | 0 | 0 | 112.1 | C204 V227 S241 S243 D245 T247 K249 | C204-H223 HydrophobicContact CB-CB 4.47Å; C204-H223 WeakPolarHBondContact CB-O 3.32Å; H223-V227 HydrophobicContact CB-CG2 4.3Å; H223-S241 PolarHBondContact NE2-OG 2.98Å; H223-S243 WeakPolarHBondContact CE1-CB 3.45Å; H223-S243 WeakPolarHBondContact ND1-CB 3.39Å; H223-D245 WeakPolarHBondContact CA-OD2 3.39Å; H223-D245 WeakPolarHBondContact CB-OD2 3.16Å; H223-D245 IonicContact CE1-OD1 2.79Å; H223-D245 IonicContact CG-OD2 2.97Å; H223-D245 IonicContact ND1-OD1 3.72Å; H223-D245 PolarHBondContact ND1-OD1 3.16Å; H223-D245 IonicContact ND1-OD2 2.84Å; H223-D245 PolarHBondContact ND1-OD2 2.97Å; H223-T247 PolarHBondContact CE1-OG1 2.84Å; H223-T247 PolarHBondContact ND1-OG1 3.24Å; H223-K249 VanDerWaalsContact CE1-CD 3.49Å; H223-K249 WeakPolarHBondContact CE1-CD 3.37Å | ||
| 224 | T | 96.4 | Very high | 95.5 | Very high | 129 Ų | 129 | 41.9 Ų | 41.9 | 79% | 0.791 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -97.5 | -9.1 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | D245 | T224-D245 PolarHBondContact N-OD2 3.08Å; T224-D245 WeakPolarHBondContact OG1-CB 3.46Å; T224-D245 PolarHBondContact OG1-OD2 2.8Å |
| 225 | G | 96.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.7 | 167.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C204 V227 S243 | C204-G225 WeakPolarHBondContact CA-O 3.44Å; C204-G225 WeakPolarHBondContact CB-O 3.25Å; C204-G225 VanDerWaalsContact SG-CA 3.57Å; G225-V227 PolarHBondContact O-N 2.53Å; G225-S243 VanDerWaalsContact C-OG 3.31Å; G225-S243 PolarHBondContact O-OG 3.11Å |
| 226 | P | 97.2 | Very high | 95.4 | Very high | 31 Ų | 31 | 36.4 Ų | 36.4 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | trans | -47 | 133.2 | 176.2 | -34.6 | 39.8 | 0 | 0 | 0 | 113.5 | T202 S243 E244 | T202-P226 HydrophobicContact CG2-CB 4.48Å; P226-S243 CarbonylContact O-C 3.5Å; P226-S243 VanDerWaalsContact O-CA 3.31Å; P226-S243 WeakPolarHBondContact O-CA 3.49Å; P226-S243 PolarHBondContact O-OG 3.08Å; P226-S243 VanDerWaalsContact O-OG 3.12Å; P226-E244 HydrophobicContact CB-CB 4.3Å; P226-E244 WeakPolarHBondContact CB-OE2 3.12Å; P226-E244 WeakPolarHBondContact CD-OE2 3.45Å; P226-E244 WeakPolarHBondContact CG-OE2 3.15Å; P226-E244 PolarHBondContact O-N 3.27Å | ||
| 227 | V | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.5 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | S186 S201 V206 H223 G225 K229 V230 A242 | S186-V227 WeakPolarHBondContact CB-O 3.32Å; S186-V227 PolarHBondContact OG-O 2.63Å; S201-V227 PolarHBondContact O-N 3.42Å; V206-V227 HydrophobicContact CG2-CG1 4.21Å; V206-V227 HydrophobicContact CG2-CG2 3.88Å; H223-V227 HydrophobicContact CB-CG2 4.3Å; G225-V227 PolarHBondContact O-N 2.53Å; V227-K229 WeakPolarHBondContact CG1-O 3.46Å; V227-V230 HydrophobicContact CG1-CG1 4.04Å; V227-A242 CarbonylContact C-O 3.51Å; V227-A242 WeakPolarHBondContact CG1-O 2.92Å |
| 228 | H | 97.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 34.7 Ų | 34.7 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -27.8 | -178.4 | -66.7 | -32.2 | 0 | 0 | 0 | 113.6 | H187 A242 E244 I269 | H187-H228 WeakPolarHBondContact CB-O 3.11Å; H228-A242 PolarHBondContact N-O 3.2Å; H228-E244 IonicContact CE1-OE2 3.94Å; H228-E244 IonicContact NE2-OE2 3.58Å; H228-I269 PolarHBondContact CD2-O 3.19Å |
| 229 | K | 97.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.9 | 178.5 | -65.1 | -78 | 157.5 | -104.9 | 0 | 111.1 | W103 H187 V227 S241 A242 T270 A272 | W103-K229 HydrophobicContact CH2-CD 3.77Å; W103-K229 HydrophobicContact CZ3-CD 4.3Å; H187-K229 HydrophobicContact CB-CD 4.49Å; H187-K229 PolarHBondContact CD2-NZ 2.93Å; V227-K229 WeakPolarHBondContact CG1-O 3.46Å; K229-S241 WeakPolarHBondContact O-CA 3.41Å; K229-A242 HydrophobicContact CB-CB 4.12Å; K229-A242 PolarHBondContact N-O 2.79Å; K229-A242 PolarHBondContact O-N 3.14Å; K229-T270 VanDerWaalsContact CE-O 3.27Å; K229-T270 WeakPolarHBondContact CE-O 3.17Å; K229-T270 WeakPolarHBondContact CG-O 3.28Å; K229-A272 HydrophobicContact CB-CB 4.24Å |
| 230 | V | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.4 | 164.6 | -70.8 | 0 | 0 | 0 | 0 | 108.6 | H187 D189 A198 V206 V227 L239 L240 | H187-V230 PolarHBondContact CE1-O 3.31Å; H187-V230 PolarHBondContact ND1-N 3.03Å; H187-V230 VanDerWaalsContact ND1-N 3.18Å; H187-V230 PolarHBondContact ND1-O 2.83Å; H187-V230 VanDerWaalsContact ND1-O 3.14Å; D189-V230 HydrophobicContact CB-CG2 4.24Å; A198-V230 HydrophobicContact CB-CB 4.42Å; A198-V230 HydrophobicContact CB-CG2 4.26Å; V206-V230 HydrophobicContact CG1-CG1 4.08Å; V206-V230 HydrophobicContact CG2-CG1 4.5Å; V227-V230 HydrophobicContact CG1-CG1 4.04Å; V230-L239 HydrophobicContact CB-CD1 4.38Å; V230-L240 CarbonylContact C-O 3.51Å; V230-L240 VanDerWaalsContact CA-O 3.25Å; V230-L240 WeakPolarHBondContact CA-O 2.94Å |
| 231 | A | 97.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 124 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | D189 L240 F274 | D189-A231 WeakPolarHBondContact OD2-CA 3.42Å; A231-L240 HydrophobicContact CB-CB 4.4Å; A231-L240 PolarHBondContact N-O 3.35Å; A231-L240 PolarHBondContact O-N 2.72Å; A231-F274 HydrophobicContact CB-CD2 3.89Å; A231-F274 HydrophobicContact CB-CE2 4.24Å; A231-F274 WeakPolarHBondContact O-CE2 3.36Å |
| 232 | C | 96.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 9% | 0.088 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.7 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 109.4 | D189 | D189-C232 PolarHBondContact OD2-N 2.81Å |
| 233 | H | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | trans | -71.9 | 143.9 | 173.9 | -174.8 | -86.9 | 0 | 0 | 0 | 110.1 | N235 G236 V238 F274 G278 F297 | H233-N235 WeakPolarHBondContact ND1-CB 3.16Å; H233-N235 PolarHBondContact ND1-N 2.86Å; H233-N235 PolarHBondContact ND1-ND2 2.85Å; H233-N235 PolarHBondContact ND1-OD1 3.16Å; H233-N235 PolarHBondContact O-N 3.39Å; H233-G236 PolarHBondContact O-N 3.14Å; H233-V238 HydrophobicContact CB-CB 3.74Å; H233-V238 HydrophobicContact CB-CG1 4.38Å; H233-V238 VanDerWaalsContact CB-O 3.31Å; H233-V238 WeakPolarHBondContact CB-O 3.42Å; H233-V238 PolarHBondContact N-O 3.28Å; H233-F274 HydrophobicContact CB-CD2 4.14Å; H233-F274 HydrophobicContact CB-CE1 4.49Å; H233-F274 HydrophobicContact CB-CE2 3.9Å; H233-F274 HydrophobicContact CB-CZ 4.1Å; H233-F274 AromaticContact CD2-CD1 3.61Å; H233-F274 AromaticContact CD2-CE1 3.62Å; H233-G278 WeakPolarHBondContact NE2-CA 3.46Å; H233-G278 PolarHBondContact NE2-O 2.95Å; H233-F297 AromaticContact CD2-CD2 3.81Å; H233-F297 AromaticContact NE2-CD2 3.97Å | ||
| 234 | P | 94.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.2 | -178.5 | -27.7 | 34.7 | 0 | 0 | 0 | 115.3 | G236 S275 A276 | P234-G236 VanDerWaalsContact C-N 3.25Å; P234-G236 PolarHBondContact O-N 3.18Å; P234-S275 WeakPolarHBondContact CG-O 3.48Å; P234-A276 WeakPolarHBondContact CG-O 3.5Å |
| 235 | N | 92.7 | Very high | 96.5 | Very high | 50 Ų | 50 | 20.2 Ų | 20.2 | 27% | 0.267 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.8 | 174.8 | 76.8 | -5 | 0 | 0 | 0 | 114.6 | H233 H237 | H233-N235 WeakPolarHBondContact ND1-CB 3.16Å; H233-N235 PolarHBondContact ND1-N 2.86Å; H233-N235 PolarHBondContact ND1-ND2 2.85Å; H233-N235 PolarHBondContact ND1-OD1 3.16Å; H233-N235 PolarHBondContact O-N 3.39Å; N235-H237 VanDerWaalsContact C-N 3.33Å; N235-H237 PolarHBondContact O-N 2.93Å; N235-H237 PolarHBondContact OD1-N 3.47Å |
| 236 | G | 93.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 4% | 0.041 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 72.6 | 15.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H191 H233 P234 | H191-G236 VanDerWaalsContact NE2-C 3.33Å; H191-G236 WeakPolarHBondContact NE2-CA 3.42Å; H191-G236 PolarHBondContact NE2-O 3.35Å; H233-G236 PolarHBondContact O-N 3.14Å; P234-G236 VanDerWaalsContact C-N 3.25Å; P234-G236 PolarHBondContact O-N 3.18Å |
| 237 | H | 93.9 | Very high | 96.5 | Very high | 70 Ų | 70 | 20.7 Ų | 20.7 | 32% | 0.324 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -115.2 | -14.3 | -179.3 | -59.1 | -38 | 0 | 0 | 0 | 113.2 | N235 L253 L254 | N235-H237 VanDerWaalsContact C-N 3.33Å; N235-H237 PolarHBondContact O-N 2.93Å; N235-H237 PolarHBondContact OD1-N 3.47Å; H237-L253 PolarHBondContact O-N 2.83Å; H237-L254 HydrophobicContact CB-CD1 4.25Å; H237-L254 HydrophobicContact CB-CG 4.35Å |
| 238 | V | 95.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.036 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.2 | -173.1 | 178 | 0 | 0 | 0 | 0 | 110.3 | H233 I250 F251 F274 F297 | H233-V238 HydrophobicContact CB-CB 3.74Å; H233-V238 HydrophobicContact CB-CG1 4.38Å; H233-V238 VanDerWaalsContact CB-O 3.31Å; H233-V238 WeakPolarHBondContact CB-O 3.42Å; H233-V238 PolarHBondContact N-O 3.28Å; V238-I250 HydrophobicContact CG1-CG2 3.32Å; V238-F251 WeakPolarHBondContact CA-O 3.13Å; V238-F274 HydrophobicContact CG1-CZ 4.42Å; V238-F297 HydrophobicContact CB-CD2 4.49Å; V238-F297 HydrophobicContact CG1-CD2 4.14Å; V238-F297 HydrophobicContact CG1-CE2 4.14Å; V238-F297 HydrophobicContact CG2-CB 4.23Å; V238-F297 HydrophobicContact CG2-CD2 4.33Å; V238-F297 HydrophobicContact CG2-CG 4.11Å |
| 239 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134 | 172 | 179.9 | 70.2 | 0 | 0 | 0 | 109.6 | A198 V206 V230 I250 F251 L253 | A198-L239 HydrophobicContact CB-CD1 3.57Å; A198-L239 HydrophobicContact CB-CD2 3.99Å; A198-L239 HydrophobicContact CB-CG 4.47Å; V206-L239 HydrophobicContact CG1-CD2 3.5Å; V206-L239 VanDerWaalsContact CG1-CD2 3.5Å; V230-L239 HydrophobicContact CB-CD1 4.38Å; L239-I250 CarbonylContact O-C 3.59Å; L239-I250 WeakPolarHBondContact O-CA 3.27Å; L239-F251 HydrophobicContact CB-CB 4.32Å; L239-F251 HydrophobicContact CB-CD2 4.37Å; L239-F251 HydrophobicContact CD2-CD2 4.29Å; L239-F251 HydrophobicContact CG-CD2 4.36Å; L239-F251 PolarHBondContact N-O 2.74Å; L239-F251 PolarHBondContact O-N 2.8Å; L239-L253 HydrophobicContact CB-CD1 4.27Å; L239-L253 HydrophobicContact CB-CD2 3.77Å; L239-L253 HydrophobicContact CB-CG 4.06Å; L239-L253 HydrophobicContact CD2-CD2 4.22Å |
| 240 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.8 | 173.4 | 176.6 | 67.1 | 0 | 0 | 0 | 109.3 | V230 A231 L248 K249 I250 A272 F274 F281 | V230-L240 CarbonylContact C-O 3.51Å; V230-L240 VanDerWaalsContact CA-O 3.25Å; V230-L240 WeakPolarHBondContact CA-O 2.94Å; A231-L240 HydrophobicContact CB-CB 4.4Å; A231-L240 PolarHBondContact N-O 3.35Å; A231-L240 PolarHBondContact O-N 2.72Å; L240-L248 HydrophobicContact CD1-CB 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.28Å; L240-K249 CarbonylContact C-O 3.5Å; L240-K249 WeakPolarHBondContact CA-O 3.35Å; L240-I250 HydrophobicContact CD1-CD1 4.36Å; L240-I250 HydrophobicContact CD1-CG1 3.9Å; L240-A272 HydrophobicContact CD2-CB 3.89Å; L240-A272 HydrophobicContact CG-CB 4.39Å; L240-F274 HydrophobicContact CB-CD2 4.46Å; L240-F274 HydrophobicContact CB-CE2 3.44Å; L240-F274 VanDerWaalsContact CB-CE2 3.44Å; L240-F274 HydrophobicContact CB-CZ 3.59Å; L240-F274 HydrophobicContact CD2-CE2 4.17Å; L240-F274 HydrophobicContact CD2-CZ 4.09Å; L240-F274 HydrophobicContact CG-CE2 4.46Å; L240-F274 HydrophobicContact CG-CZ 4.41Å; L240-F281 HydrophobicContact CD2-CB 4.25Å; L240-F281 HydrophobicContact CD2-CD2 3.83Å; L240-F281 HydrophobicContact CD2-CG 4.22Å |
| 241 | S | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146 | 169.3 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | H223 K229 L248 K249 F251 | H223-S241 PolarHBondContact NE2-OG 2.98Å; K229-S241 WeakPolarHBondContact O-CA 3.41Å; S241-L248 CarbonylContact O-C 3.57Å; S241-L248 VanDerWaalsContact O-CA 3.25Å; S241-L248 WeakPolarHBondContact O-CA 3.39Å; S241-K249 PolarHBondContact N-O 3.2Å; S241-K249 PolarHBondContact O-N 2.76Å; S241-K249 PolarHBondContact OG-O 2.84Å; S241-F251 VanDerWaalsContact OG-CE2 3.25Å; S241-F251 WeakPolarHBondContact OG-CE2 3.4Å |
| 242 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V227 H228 K229 L248 I269 A272 | V227-A242 CarbonylContact C-O 3.51Å; V227-A242 WeakPolarHBondContact CG1-O 2.92Å; H228-A242 PolarHBondContact N-O 3.2Å; K229-A242 HydrophobicContact CB-CB 4.12Å; K229-A242 PolarHBondContact N-O 2.79Å; K229-A242 PolarHBondContact O-N 3.14Å; A242-L248 HydrophobicContact CB-CD2 3.54Å; A242-I269 HydrophobicContact CB-CB 4.04Å; A242-I269 HydrophobicContact CB-CG2 3.71Å; A242-A272 HydrophobicContact CB-CB 3.91Å |
| 243 | S | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 159.8 | -171.5 | 175 | 0 | 0 | 0 | 0 | 113.2 | H223 G225 P226 D245 S246 T247 I269 | H223-S243 WeakPolarHBondContact CE1-CB 3.45Å; H223-S243 WeakPolarHBondContact ND1-CB 3.39Å; G225-S243 VanDerWaalsContact C-OG 3.31Å; G225-S243 PolarHBondContact O-OG 3.11Å; P226-S243 CarbonylContact O-C 3.5Å; P226-S243 VanDerWaalsContact O-CA 3.31Å; P226-S243 WeakPolarHBondContact O-CA 3.49Å; P226-S243 PolarHBondContact O-OG 3.08Å; P226-S243 VanDerWaalsContact O-OG 3.12Å; S243-D245 VanDerWaalsContact CB-OD1 3.31Å; S243-D245 WeakPolarHBondContact CB-OD1 3.37Å; S243-D245 PolarHBondContact O-N 3.17Å; S243-D245 VanDerWaalsContact OG-CG 3.3Å; S243-D245 PolarHBondContact OG-N 3.49Å; S243-D245 PolarHBondContact OG-OD1 3.04Å; S243-S246 PolarHBondContact O-N 3.21Å; S243-T247 PolarHBondContact N-O 2.8Å; S243-I269 PolarHBondContact O-N 2.94Å |
| 244 | E | 97.5 | Very high | 95.7 | Very high | 82 Ų | 82 | 24.3 Ų | 24.3 | 38% | 0.383 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.8 | 168.8 | -162.6 | 163.1 | 175.6 | 0 | 0 | 112.8 | P226 H228 S246 P268 | P226-E244 HydrophobicContact CB-CB 4.3Å; P226-E244 WeakPolarHBondContact CB-OE2 3.12Å; P226-E244 WeakPolarHBondContact CD-OE2 3.45Å; P226-E244 WeakPolarHBondContact CG-OE2 3.15Å; P226-E244 PolarHBondContact O-N 3.27Å; H228-E244 IonicContact CE1-OE2 3.94Å; H228-E244 IonicContact NE2-OE2 3.58Å; E244-S246 PolarHBondContact O-N 2.86Å; E244-P268 HydrophobicContact CG-CB 4.06Å; E244-P268 HydrophobicContact CG-CG 3.87Å |
| 245 | D | 96.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 11.6 | 176.5 | 70.1 | 14.5 | 0 | 0 | 0 | 115 | H223 T224 S243 T247 | H223-D245 WeakPolarHBondContact CA-OD2 3.39Å; H223-D245 WeakPolarHBondContact CB-OD2 3.16Å; H223-D245 IonicContact CE1-OD1 2.79Å; H223-D245 IonicContact CG-OD2 2.97Å; H223-D245 IonicContact ND1-OD1 3.72Å; H223-D245 PolarHBondContact ND1-OD1 3.16Å; H223-D245 IonicContact ND1-OD2 2.84Å; H223-D245 PolarHBondContact ND1-OD2 2.97Å; T224-D245 PolarHBondContact N-OD2 3.08Å; T224-D245 WeakPolarHBondContact OG1-CB 3.46Å; T224-D245 PolarHBondContact OG1-OD2 2.8Å; S243-D245 VanDerWaalsContact CB-OD1 3.31Å; S243-D245 WeakPolarHBondContact CB-OD1 3.37Å; S243-D245 PolarHBondContact O-N 3.17Å; S243-D245 VanDerWaalsContact OG-CG 3.3Å; S243-D245 PolarHBondContact OG-N 3.49Å; S243-D245 PolarHBondContact OG-OD1 3.04Å; D245-T247 PolarHBondContact O-N 3.15Å; D245-T247 WeakPolarHBondContact OD1-CB 3.12Å; D245-T247 PolarHBondContact OD1-N 3.01Å; D245-T247 PolarHBondContact OD1-OG1 2.86Å |
| 246 | S | 96.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 64.4 | 16.9 | -179.1 | -44.2 | 0 | 0 | 0 | 0 | 114.4 | S243 E244 G267 | S243-S246 PolarHBondContact O-N 3.21Å; E244-S246 PolarHBondContact O-N 2.86Å; S246-G267 WeakPolarHBondContact CA-O 3.45Å; S246-G267 VanDerWaalsContact CB-O 3.31Å; S246-G267 WeakPolarHBondContact CB-O 3.31Å; S246-G267 VanDerWaalsContact OG-CA 3.25Å; S246-G267 WeakPolarHBondContact OG-CA 3.31Å; S246-G267 PolarHBondContact OG-N 2.88Å; S246-G267 PolarHBondContact OG-O 2.93Å; S246-G267 VanDerWaalsContact OG-O 3.1Å |
| 247 | T | 97.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146.7 | 177.7 | 76.8 | 0 | 0 | 0 | 0 | 113 | H223 S243 D245 T261 L262 Q263 | H223-T247 PolarHBondContact CE1-OG1 2.84Å; H223-T247 PolarHBondContact ND1-OG1 3.24Å; S243-T247 PolarHBondContact N-O 2.8Å; D245-T247 PolarHBondContact O-N 3.15Å; D245-T247 WeakPolarHBondContact OD1-CB 3.12Å; D245-T247 PolarHBondContact OD1-N 3.01Å; D245-T247 PolarHBondContact OD1-OG1 2.86Å; T247-T261 HydrophobicContact CG2-CG2 4.12Å; T247-L262 WeakPolarHBondContact CA-O 3.47Å; T247-Q263 HydrophobicContact CG2-CG 4.15Å |
| 248 | L | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.3 | 161.2 | -63.3 | 166.9 | 0 | 0 | 0 | 108.2 | L240 S241 A242 T261 L262 I269 A272 F281 W293 | L240-L248 HydrophobicContact CD1-CB 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.28Å; S241-L248 CarbonylContact O-C 3.57Å; S241-L248 VanDerWaalsContact O-CA 3.25Å; S241-L248 WeakPolarHBondContact O-CA 3.39Å; A242-L248 HydrophobicContact CB-CD2 3.54Å; L248-T261 CarbonylContact O-C 3.55Å; L248-T261 WeakPolarHBondContact O-CA 3.3Å; L248-L262 HydrophobicContact CB-CB 4.14Å; L248-L262 HydrophobicContact CB-CD1 4.44Å; L248-L262 HydrophobicContact CD1-CD1 4.49Å; L248-L262 PolarHBondContact N-O 2.86Å; L248-L262 PolarHBondContact O-N 3.41Å; L248-I269 HydrophobicContact CD2-CD1 4Å; L248-I269 HydrophobicContact CD2-CG2 3.9Å; L248-I269 HydrophobicContact CG-CD1 3.7Å; L248-A272 HydrophobicContact CD2-CB 4.32Å; L248-F281 HydrophobicContact CD1-CE2 3.94Å; L248-W293 HydrophobicContact CD1-CZ2 4.36Å |
| 249 | K | 96.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.6 | 171.4 | -67.8 | 176.3 | -172.9 | -91.4 | 0 | 110.5 | A222 H223 L240 S241 F251 F260 T261 | A222-K249 HydrophobicContact CB-CD 3.86Å; A222-K249 WeakPolarHBondContact O-CD 3.43Å; A222-K249 WeakPolarHBondContact O-CE 3.25Å; A222-K249 PolarHBondContact O-NZ 3.18Å; H223-K249 VanDerWaalsContact CE1-CD 3.49Å; H223-K249 WeakPolarHBondContact CE1-CD 3.37Å; L240-K249 CarbonylContact C-O 3.5Å; L240-K249 WeakPolarHBondContact CA-O 3.35Å; S241-K249 PolarHBondContact N-O 3.2Å; S241-K249 PolarHBondContact O-N 2.76Å; S241-K249 PolarHBondContact OG-O 2.84Å; K249-F251 HydrophobicContact CB-CE2 3.98Å; K249-F251 HydrophobicContact CB-CZ 3.79Å; K249-F251 HydrophobicContact CD-CZ 4.49Å; K249-F260 WeakPolarHBondContact CA-O 3.31Å; K249-T261 HydrophobicContact CG-CG2 4.26Å; K249-T261 PolarHBondContact NZ-OG1 3.32Å |
| 250 | I | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.7 | 179.9 | -55.7 | -165.9 | 0 | 0 | 0 | 107.3 | P4 V238 L239 L240 P258 L259 F260 L262 F281 F297 | P4-I250 HydrophobicContact CG-CD1 4.13Å; V238-I250 HydrophobicContact CG1-CG2 3.32Å; L239-I250 CarbonylContact O-C 3.59Å; L239-I250 WeakPolarHBondContact O-CA 3.27Å; L240-I250 HydrophobicContact CD1-CD1 4.36Å; L240-I250 HydrophobicContact CD1-CG1 3.9Å; I250-P258 CarbonylContact O-C 3.56Å; I250-L259 PolarHBondContact O-N 2.93Å; I250-F260 HydrophobicContact CB-CB 4.16Å; I250-F260 HydrophobicContact CB-CD2 4.17Å; I250-F260 HydrophobicContact CD1-CB 4.49Å; I250-F260 HydrophobicContact CD1-CD2 4.31Å; I250-F260 HydrophobicContact CG1-CB 4.35Å; I250-F260 HydrophobicContact CG2-CD2 4.29Å; I250-F260 PolarHBondContact N-O 2.92Å; I250-F260 PolarHBondContact O-N 2.83Å; I250-L262 HydrophobicContact CD1-CD1 3.95Å; I250-L262 HydrophobicContact CG1-CD1 4.49Å; I250-F281 HydrophobicContact CD1-CZ 4.44Å; I250-F297 HydrophobicContact CD1-CE1 4.29Å; I250-F297 HydrophobicContact CD1-CE2 4.23Å; I250-F297 HydrophobicContact CD1-CZ 3.46Å; I250-F297 VanDerWaalsContact CD1-CZ 3.46Å; I250-F297 HydrophobicContact CG2-CE1 4.36Å; I250-F297 HydrophobicContact CG2-CZ 4.08Å |
| 251 | F | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.6 | -179.3 | -51.4 | -88.8 | 0 | 0 | 0 | 110.8 | V206 Y220 A222 V238 L239 S241 K249 R257 P258 | V206-F251 HydrophobicContact CG2-CE2 4.27Å; V206-F251 HydrophobicContact CG2-CZ 4.4Å; Y220-F251 AromaticContact CD1-CD1 3.72Å; Y220-F251 HydrophobicContact CD1-CD1 3.72Å; Y220-F251 HydrophobicContact CD1-CE1 4.01Å; Y220-F251 HydrophobicContact CD2-CD1 4.44Å; Y220-F251 AromaticContact CE1-CD1 3.96Å; Y220-F251 HydrophobicContact CE1-CD1 3.96Å; Y220-F251 AromaticContact CG-CD1 3.96Å; Y220-F251 HydrophobicContact CG-CD1 3.96Å; Y220-F251 AromaticContact CG-CE1 3.99Å; Y220-F251 HydrophobicContact CG-CE1 3.99Å; A222-F251 HydrophobicContact CB-CE1 3.53Å; A222-F251 HydrophobicContact CB-CZ 3.62Å; V238-F251 WeakPolarHBondContact CA-O 3.13Å; L239-F251 HydrophobicContact CB-CB 4.32Å; L239-F251 HydrophobicContact CB-CD2 4.37Å; L239-F251 HydrophobicContact CD2-CD2 4.29Å; L239-F251 HydrophobicContact CG-CD2 4.36Å; L239-F251 PolarHBondContact N-O 2.74Å; L239-F251 PolarHBondContact O-N 2.8Å; S241-F251 VanDerWaalsContact OG-CE2 3.25Å; S241-F251 WeakPolarHBondContact OG-CE2 3.4Å; K249-F251 HydrophobicContact CB-CE2 3.98Å; K249-F251 HydrophobicContact CB-CZ 3.79Å; K249-F251 HydrophobicContact CD-CZ 4.49Å; F251-R257 WeakPolarHBondContact CA-O 3.46Å; F251-P258 HydrophobicContact CD1-CB 3.86Å; F251-P258 HydrophobicContact CE1-CB 3.95Å |
| 252 | D | 94.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.6 | 165.2 | -167 | -30.4 | 0 | 0 | 0 | 109 | L254 E255 G256 R257 L259 | D252-L254 VanDerWaalsContact C-N 3.35Å; D252-L254 WeakPolarHBondContact OD1-CA 3.25Å; D252-L254 WeakPolarHBondContact OD1-CB 3.26Å; D252-L254 PolarHBondContact OD1-N 2.97Å; D252-E255 HydrophobicContact CB-CB 4.26Å; D252-E255 PolarHBondContact OD1-N 2.86Å; D252-G256 VanDerWaalsContact O-CA 3.32Å; D252-G256 WeakPolarHBondContact O-CA 3.41Å; D252-G256 PolarHBondContact O-N 2.88Å; D252-R257 HydrophobicContact CB-CG 4.47Å; D252-R257 PolarHBondContact N-O 2.79Å; D252-R257 PolarHBondContact O-N 3.25Å; D252-L259 HydrophobicContact CB-CD1 3.85Å; D252-L259 HydrophobicContact CB-CD2 3.97Å; D252-L259 HydrophobicContact CB-CG 3.8Å |
| 253 | L | 94 | Very high | 94.6 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.7 | 179 | -65.6 | -178.4 | 0 | 0 | 0 | 112.9 | L208 Q218 H237 L239 | L208-L253 HydrophobicContact CD2-CD2 4.3Å; Q218-L253 PolarHBondContact NE2-O 3.13Å; H237-L253 PolarHBondContact O-N 2.83Å; L239-L253 HydrophobicContact CB-CD1 4.27Å; L239-L253 HydrophobicContact CB-CD2 3.77Å; L239-L253 HydrophobicContact CB-CG 4.06Å; L239-L253 HydrophobicContact CD2-CD2 4.22Å |
| 254 | L | 91.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 48.8 Ų | 48.8 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -48.5 | 177.8 | -64.1 | 175.6 | 0 | 0 | 0 | 110.9 | H237 D252 I332 | H237-L254 HydrophobicContact CB-CD1 4.25Å; H237-L254 HydrophobicContact CB-CG 4.35Å; D252-L254 VanDerWaalsContact C-N 3.35Å; D252-L254 WeakPolarHBondContact OD1-CA 3.25Å; D252-L254 WeakPolarHBondContact OD1-CB 3.26Å; D252-L254 PolarHBondContact OD1-N 2.97Å; L254-I332 HydrophobicContact CD2-CG2 4.48Å |
| 255 | E | 90.5 | Very high | 94 | Very high | 116 Ų | 116 | 45.3 Ų | 45.3 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.6 | -178.8 | -65.7 | -175.9 | 164.1 | 0 | 0 | 113 | D252 R257 | D252-E255 HydrophobicContact CB-CB 4.26Å; D252-E255 PolarHBondContact OD1-N 2.86Å; E255-R257 HydrophobicContact CB-CG 4.1Å; E255-R257 IonicContact OE1-NH2 3.53Å; E255-R257 IonicContact OE2-CZ 2.74Å; E255-R257 IonicContact OE2-NE 3.56Å; E255-R257 PolarHBondContact OE2-NE 2.78Å; E255-R257 IonicContact OE2-NH2 2.91Å; E255-R257 PolarHBondContact OE2-NH2 3.2Å |
| 256 | G | 91.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y220 D252 | Y220-G256 WeakPolarHBondContact CE1-O 3.17Å; Y220-G256 VanDerWaalsContact OH-CA 3.31Å; Y220-G256 WeakPolarHBondContact OH-CA 3.42Å; D252-G256 VanDerWaalsContact O-CA 3.32Å; D252-G256 WeakPolarHBondContact O-CA 3.41Å; D252-G256 PolarHBondContact O-N 2.88Å |
| 257 | R | 91.9 | Very high | 93.7 | Very high | 134 Ų | 134 | 50.2 Ų | 50.2 | 51% | 0.506 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.1 | -176.1 | 67.5 | 170 | 175.9 | 164.5 | -8.3 | 113.6 | F251 D252 E255 | F251-R257 WeakPolarHBondContact CA-O 3.46Å; D252-R257 HydrophobicContact CB-CG 4.47Å; D252-R257 PolarHBondContact N-O 2.79Å; D252-R257 PolarHBondContact O-N 3.25Å; E255-R257 HydrophobicContact CB-CG 4.1Å; E255-R257 IonicContact OE1-NH2 3.53Å; E255-R257 IonicContact OE2-CZ 2.74Å; E255-R257 IonicContact OE2-NE 3.56Å; E255-R257 PolarHBondContact OE2-NE 2.78Å; E255-R257 IonicContact OE2-NH2 2.91Å; E255-R257 PolarHBondContact OE2-NH2 3.2Å |
| 258 | P | 93 | Very high | 93.7 | Very high | 74 Ų | 74 | 51 Ų | 51 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 134.1 | 168 | 28.4 | -33.6 | 0 | 0 | 0 | 110.9 | I250 F251 | I250-P258 CarbonylContact O-C 3.56Å; F251-P258 HydrophobicContact CD1-CB 3.86Å; F251-P258 HydrophobicContact CE1-CB 3.95Å |
| 259 | L | 92.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -49.4 | 176.1 | -68.3 | 176.3 | 0 | 0 | 0 | 112.3 | M1 I250 D252 | M1-L259 HydrophobicContact CE-CD1 4.14Å; M1-L259 HydrophobicContact SD-CD1 4.2Å; I250-L259 PolarHBondContact O-N 2.93Å; D252-L259 HydrophobicContact CB-CD1 3.85Å; D252-L259 HydrophobicContact CB-CD2 3.97Å; D252-L259 HydrophobicContact CB-CG 3.8Å |
| 260 | F | 93.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.5 | -174.3 | -56.8 | -73.4 | 0 | 0 | 0 | 111.5 | M1 D3 K249 I250 L262 F297 | M1-F260 HydrophobicContact CB-CZ 3.91Å; M1-F260 HydrophobicContact CG-CE2 4.15Å; M1-F260 HydrophobicContact CG-CZ 3.9Å; M1-F260 HydrophobicContact SD-CE2 3.58Å; M1-F260 VanDerWaalsContact SD-CE2 3.58Å; M1-F260 HydrophobicContact SD-CZ 3.92Å; D3-F260 WeakPolarHBondContact OD1-CE1 3.3Å; K249-F260 WeakPolarHBondContact CA-O 3.31Å; I250-F260 HydrophobicContact CB-CB 4.16Å; I250-F260 HydrophobicContact CB-CD2 4.17Å; I250-F260 HydrophobicContact CD1-CB 4.49Å; I250-F260 HydrophobicContact CD1-CD2 4.31Å; I250-F260 HydrophobicContact CG1-CB 4.35Å; I250-F260 HydrophobicContact CG2-CD2 4.29Å; I250-F260 PolarHBondContact N-O 2.92Å; I250-F260 PolarHBondContact O-N 2.83Å; F260-L262 HydrophobicContact CB-CD2 3.98Å; F260-F297 HydrophobicContact CD2-CE1 4.23Å; F260-F297 AromaticContact CE2-CE1 3.89Å; F260-F297 HydrophobicContact CE2-CE1 3.89Å |
| 261 | T | 95.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 44% | 0.436 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.8 | 162.2 | -62.3 | 0 | 0 | 0 | 0 | 107.1 | T247 L248 K249 | T247-T261 HydrophobicContact CG2-CG2 4.12Å; L248-T261 CarbonylContact O-C 3.55Å; L248-T261 WeakPolarHBondContact O-CA 3.3Å; K249-T261 HydrophobicContact CG-CG2 4.26Å; K249-T261 PolarHBondContact NZ-OG1 3.32Å |
| 262 | L | 94.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.5 | -178.6 | -44.3 | 176.2 | 0 | 0 | 0 | 109.6 | P4 T247 L248 I250 F260 F281 W293 | P4-L262 HydrophobicContact CB-CD1 4.41Å; P4-L262 HydrophobicContact CG-CD1 3.57Å; P4-L262 HydrophobicContact CG-CD2 3.46Å; P4-L262 VanDerWaalsContact CG-CD2 3.46Å; P4-L262 HydrophobicContact CG-CG 4.12Å; T247-L262 WeakPolarHBondContact CA-O 3.47Å; L248-L262 HydrophobicContact CB-CB 4.14Å; L248-L262 HydrophobicContact CB-CD1 4.44Å; L248-L262 HydrophobicContact CD1-CD1 4.49Å; L248-L262 PolarHBondContact N-O 2.86Å; L248-L262 PolarHBondContact O-N 3.41Å; I250-L262 HydrophobicContact CD1-CD1 3.95Å; I250-L262 HydrophobicContact CG1-CD1 4.49Å; F260-L262 HydrophobicContact CB-CD2 3.98Å; L262-F281 HydrophobicContact CD1-CE2 3.95Å; L262-F281 HydrophobicContact CD1-CZ 3.49Å; L262-F281 VanDerWaalsContact CD1-CZ 3.49Å; L262-W293 HydrophobicContact CB-CH2 4.44Å; L262-W293 HydrophobicContact CD1-CE3 4.41Å |
| 263 | Q | 93 | Very high | 94.1 | Very high | 152 Ų | 152 | 50.2 Ų | 50.2 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 152 | 177.8 | -66.1 | 179.9 | -26.8 | 0 | 0 | 108.9 | T247 | T247-Q263 HydrophobicContact CG2-CG 4.15Å |
| 264 | G | 89.7 | Confident | 94.2 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | trans | 166.4 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 265 | H | 93.6 | Very high | 94.4 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | trans | -68.4 | 142 | 176.6 | -79.3 | -74 | 0 | 0 | 0 | 111.1 | G267 I269 S283 D287 Q289 F291 | H265-G267 PolarHBondContact O-N 3.4Å; H265-I269 HydrophobicContact CB-CD1 4.09Å; H265-I269 HydrophobicContact CB-CG1 3.85Å; H265-S283 WeakPolarHBondContact NE2-CB 3.24Å; H265-S283 PolarHBondContact NE2-OG 2.8Å; H265-D287 VanDerWaalsContact CA-OD2 3.25Å; H265-D287 WeakPolarHBondContact CA-OD2 3.25Å; H265-D287 IonicContact CE1-OD1 3.24Å; H265-D287 IonicContact CG-OD2 2.99Å; H265-D287 VanDerWaalsContact ND1-CG 3.33Å; H265-D287 IonicContact ND1-OD1 2.97Å; H265-D287 PolarHBondContact ND1-OD1 2.92Å; H265-D287 IonicContact ND1-OD2 3.58Å; H265-D287 PolarHBondContact ND1-OD2 3.36Å; H265-Q289 PolarHBondContact CE1-O 2.73Å; H265-Q289 VanDerWaalsContact CE1-O 3.28Å; H265-F291 AromaticContact CD2-CD2 3.67Å; H265-F291 AromaticContact CD2-CE2 3.94Å; H265-F291 AromaticContact CE1-CD2 3.48Å; H265-F291 VanDerWaalsContact CE1-CD2 3.48Å; H265-F291 WeakPolarHBondContact CE1-CD2 3.23Å; H265-F291 AromaticContact CE1-CE2 3.75Å; H265-F291 AromaticContact CE1-CG 3.89Å; H265-F291 AromaticContact CG-CE2 3.87Å; H265-F291 AromaticContact ND1-CD2 3.95Å; H265-F291 AromaticContact ND1-CE2 3.75Å; H265-F291 AromaticContact NE2-CD2 3.3Å; H265-F291 VanDerWaalsContact NE2-CD2 3.3Å; H265-F291 WeakPolarHBondContact NE2-CD2 3.44Å; H265-F291 AromaticContact NE2-CE2 3.89Å; H265-F291 AromaticContact NE2-CG 3.87Å | ||
| 266 | Q | 93.5 | Very high | 94.5 | Very high | 156 Ų | 156 | 43.7 Ų | 43.7 | 73% | 0.729 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -96.2 | 67 | 176.5 | -62.6 | -61.3 | -46.4 | 0 | 0 | 110 | D287 | Q266-D287 HydrophobicContact CB-CB 4.1Å; Q266-D287 PolarHBondContact N-OD2 2.67Å |
| 267 | G | 95 | Very high | 94.6 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 133.5 | -174.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S246 H265 I269 | S246-G267 WeakPolarHBondContact CA-O 3.45Å; S246-G267 VanDerWaalsContact CB-O 3.31Å; S246-G267 WeakPolarHBondContact CB-O 3.31Å; S246-G267 VanDerWaalsContact OG-CA 3.25Å; S246-G267 WeakPolarHBondContact OG-CA 3.31Å; S246-G267 PolarHBondContact OG-N 2.88Å; S246-G267 PolarHBondContact OG-O 2.93Å; S246-G267 VanDerWaalsContact OG-O 3.1Å; H265-G267 PolarHBondContact O-N 3.4Å; G267-I269 PolarHBondContact O-N 3.22Å |
| 268 | P | 97 | Very high | 94.7 | Very high | 31 Ų | 31 | 39 Ų | 39 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | trans | -50.2 | 132.1 | -177.4 | -32.3 | 37.8 | 0 | 0 | 0 | 113.5 | E244 G285 N286 | E244-P268 HydrophobicContact CG-CB 4.06Å; E244-P268 HydrophobicContact CG-CG 3.87Å; P268-G285 CarbonylContact O-C 3.57Å; P268-G285 VanDerWaalsContact O-CA 3.24Å; P268-G285 WeakPolarHBondContact O-CA 3.15Å; P268-N286 HydrophobicContact CB-CB 4.49Å; P268-N286 PolarHBondContact O-N 3.41Å | ||
| 269 | I | 97.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.3 | 176.2 | -48.3 | -179.2 | 0 | 0 | 0 | 108.7 | H228 A242 S243 L248 H265 G267 G284 | H228-I269 PolarHBondContact CD2-O 3.19Å; A242-I269 HydrophobicContact CB-CB 4.04Å; A242-I269 HydrophobicContact CB-CG2 3.71Å; S243-I269 PolarHBondContact O-N 2.94Å; L248-I269 HydrophobicContact CD2-CD1 4Å; L248-I269 HydrophobicContact CD2-CG2 3.9Å; L248-I269 HydrophobicContact CG-CD1 3.7Å; H265-I269 HydrophobicContact CB-CD1 4.09Å; H265-I269 HydrophobicContact CB-CG1 3.85Å; G267-I269 PolarHBondContact O-N 3.22Å; I269-G284 WeakPolarHBondContact CG2-O 3.21Å |
| 270 | T | 97 | Very high | 94.8 | Very high | 24 Ų | 24 | 39 Ų | 39 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -19.6 | -169.9 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | I17 K229 G284 N286 | I17-T270 WeakPolarHBondContact O-CB 3.48Å; I17-T270 PolarHBondContact O-OG1 2.7Å; K229-T270 VanDerWaalsContact CE-O 3.27Å; K229-T270 WeakPolarHBondContact CE-O 3.17Å; K229-T270 WeakPolarHBondContact CG-O 3.28Å; T270-G284 PolarHBondContact N-O 3.06Å; T270-G284 PolarHBondContact OG1-O 3.37Å; T270-N286 WeakPolarHBondContact CG2-OD1 3.47Å |
| 271 | A | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I17 V20 S283 G284 | I17-A271 HydrophobicContact CG2-CB 3.97Å; V20-A271 HydrophobicContact CG1-CB 4.07Å; V20-A271 HydrophobicContact CG2-CB 4.11Å; A271-S283 CarbonylContact O-C 3.54Å; A271-S283 VanDerWaalsContact O-CA 3.25Å; A271-S283 WeakPolarHBondContact O-CA 3.36Å; A271-G284 PolarHBondContact N-O 3.35Å; A271-G284 PolarHBondContact O-N 2.92Å |
| 272 | A | 97.5 | Very high | 95 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K229 L240 A242 L248 A282 | K229-A272 HydrophobicContact CB-CB 4.24Å; L240-A272 HydrophobicContact CD2-CB 3.89Å; L240-A272 HydrophobicContact CG-CB 4.39Å; A242-A272 HydrophobicContact CB-CB 3.91Å; L248-A272 HydrophobicContact CD2-CB 4.32Å; A272-A282 VanDerWaalsContact CA-O 3.26Å; A272-A282 WeakPolarHBondContact CA-O 3.48Å |
| 273 | A | 97.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 149.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V20 F22 F281 A282 | V20-A273 HydrophobicContact CG2-CB 4.07Å; F22-A273 HydrophobicContact CD2-CB 4.42Å; F22-A273 WeakPolarHBondContact CE2-O 3.37Å; A273-F281 CarbonylContact O-C 3.52Å; A273-F281 WeakPolarHBondContact O-CA 3.33Å; A273-F281 VanDerWaalsContact O-CB 3.23Å; A273-F281 WeakPolarHBondContact O-CB 3.45Å; A273-A282 PolarHBondContact N-O 3.28Å; A273-A282 PolarHBondContact O-N 3.12Å |
| 274 | F | 96.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 26.4 Ų | 26.4 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 152.2 | 169.9 | -77.2 | -69.6 | 0 | 0 | 0 | 111.6 | F22 A231 H233 V238 L240 F281 T295 F297 | F22-F274 WeakPolarHBondContact CD2-O 3.39Å; A231-F274 HydrophobicContact CB-CD2 3.89Å; A231-F274 HydrophobicContact CB-CE2 4.24Å; A231-F274 WeakPolarHBondContact O-CE2 3.36Å; H233-F274 HydrophobicContact CB-CD2 4.14Å; H233-F274 HydrophobicContact CB-CE1 4.49Å; H233-F274 HydrophobicContact CB-CE2 3.9Å; H233-F274 HydrophobicContact CB-CZ 4.1Å; H233-F274 AromaticContact CD2-CD1 3.61Å; H233-F274 AromaticContact CD2-CE1 3.62Å; V238-F274 HydrophobicContact CG1-CZ 4.42Å; L240-F274 HydrophobicContact CB-CD2 4.46Å; L240-F274 HydrophobicContact CB-CE2 3.44Å; L240-F274 VanDerWaalsContact CB-CE2 3.44Å; L240-F274 HydrophobicContact CB-CZ 3.59Å; L240-F274 HydrophobicContact CD2-CE2 4.17Å; L240-F274 HydrophobicContact CD2-CZ 4.09Å; L240-F274 HydrophobicContact CG-CE2 4.46Å; L240-F274 HydrophobicContact CG-CZ 4.41Å; F274-F281 HydrophobicContact CD1-CB 3.6Å; F274-F281 HydrophobicContact CD1-CG 4.44Å; F274-F281 HydrophobicContact CE1-CB 3.79Å; F274-F281 HydrophobicContact CE1-CD1 4.1Å; F274-F281 HydrophobicContact CE1-CG 4.15Å; F274-F281 HydrophobicContact CG-CB 4.35Å; F274-T295 HydrophobicContact CD1-CG2 4.37Å; F274-T295 HydrophobicContact CE1-CG2 4.04Å; F274-F297 HydrophobicContact CE1-CE2 4.01Å; F274-F297 HydrophobicContact CZ-CE2 4.36Å |
| 275 | S | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | trans | -71.5 | 153.7 | 164.3 | 68.4 | 0 | 0 | 0 | 0 | 110.4 | P234 S277 G278 D279 H280 | P234-S275 WeakPolarHBondContact CG-O 3.48Å; S275-S277 PolarHBondContact O-N 3.35Å; S275-S277 PolarHBondContact OG-OG 3.18Å; S275-G278 WeakPolarHBondContact O-CA 3.2Å; S275-G278 PolarHBondContact O-N 2.78Å; S275-G278 PolarHBondContact OG-N 2.87Å; S275-D279 PolarHBondContact OG-N 2.97Å; S275-H280 PolarHBondContact N-O 2.87Å; S275-H280 PolarHBondContact OG-N 3.41Å; S275-H280 PolarHBondContact OG-O 2.94Å | ||
| 276 | A | 92.9 | Very high | 95.8 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 53% | 0.529 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P234 G278 | P234-A276 WeakPolarHBondContact CG-O 3.5Å; A276-G278 VanDerWaalsContact C-N 3.27Å; A276-G278 PolarHBondContact O-N 3.02Å |
| 277 | S | 92.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 21.1 Ų | 21.1 | 46% | 0.462 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -15.6 | 173.9 | 75 | 0 | 0 | 0 | 0 | 114 | S275 D279 | S275-S277 PolarHBondContact O-N 3.35Å; S275-S277 PolarHBondContact OG-OG 3.18Å; S277-D279 VanDerWaalsContact CB-OD2 3.3Å; S277-D279 WeakPolarHBondContact CB-OD2 3.38Å; S277-D279 PolarHBondContact O-N 3.3Å; S277-D279 PolarHBondContact OG-N 3.35Å; S277-D279 PolarHBondContact OG-OD2 3.02Å |
| 278 | G | 92.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 76.1 | -9.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | H233 S275 A276 H280 T295 | H233-G278 WeakPolarHBondContact NE2-CA 3.46Å; H233-G278 PolarHBondContact NE2-O 2.95Å; S275-G278 WeakPolarHBondContact O-CA 3.2Å; S275-G278 PolarHBondContact O-N 2.78Å; S275-G278 PolarHBondContact OG-N 2.87Å; A276-G278 VanDerWaalsContact C-N 3.27Å; A276-G278 PolarHBondContact O-N 3.02Å; G278-H280 PolarHBondContact O-N 2.77Å; G278-T295 WeakPolarHBondContact O-CB 3.3Å; G278-T295 WeakPolarHBondContact O-CG2 3.43Å; G278-T295 PolarHBondContact O-OG1 2.99Å |
| 279 | D | 92.8 | Very high | 95.8 | Very high | 69 Ų | 69 | 24.9 Ų | 24.9 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -71.4 | -15.2 | -175.7 | -56 | -52.6 | 0 | 0 | 0 | 114.1 | S275 S277 T295 N298 | S275-D279 PolarHBondContact OG-N 2.97Å; S277-D279 VanDerWaalsContact CB-OD2 3.3Å; S277-D279 WeakPolarHBondContact CB-OD2 3.38Å; S277-D279 PolarHBondContact O-N 3.3Å; S277-D279 PolarHBondContact OG-N 3.35Å; S277-D279 PolarHBondContact OG-OD2 3.02Å; D279-T295 WeakPolarHBondContact CA-OG1 3.39Å; D279-T295 PolarHBondContact O-N 2.78Å; D279-T295 PolarHBondContact O-OG1 2.89Å; D279-N298 PolarHBondContact OD1-ND2 2.8Å |
| 280 | H | 94.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 24.9 Ų | 24.9 | 22% | 0.222 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.1 | -179.9 | -57.1 | 84.9 | 0 | 0 | 0 | 111 | Q7 F22 S275 G278 L292 W293 | Q7-H280 PolarHBondContact NE2-NE2 3.39Å; Q7-H280 VanDerWaalsContact NE2-NE2 3.14Å; Q7-H280 PolarHBondContact OE1-CD2 3.27Å; Q7-H280 PolarHBondContact OE1-NE2 2.89Å; F22-H280 HydrophobicContact CZ-CB 4.49Å; S275-H280 PolarHBondContact N-O 2.87Å; S275-H280 PolarHBondContact OG-N 3.41Å; S275-H280 PolarHBondContact OG-O 2.94Å; G278-H280 PolarHBondContact O-N 2.77Å; H280-L292 HydrophobicContact CB-CD1 4.12Å; H280-W293 CarbonylContact C-O 3.59Å; H280-W293 WeakPolarHBondContact CA-O 3.2Å; H280-W293 WeakPolarHBondContact CB-O 3.34Å |
| 281 | F | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 155.8 | 163.1 | 62.5 | -80.2 | 0 | 0 | 0 | 109.6 | P4 L240 L248 I250 L262 A273 F274 W293 T295 | P4-F281 HydrophobicContact CB-CE1 3.79Å; P4-F281 HydrophobicContact CB-CZ 4.01Å; P4-F281 HydrophobicContact CG-CZ 4.38Å; L240-F281 HydrophobicContact CD2-CB 4.25Å; L240-F281 HydrophobicContact CD2-CD2 3.83Å; L240-F281 HydrophobicContact CD2-CG 4.22Å; L248-F281 HydrophobicContact CD1-CE2 3.94Å; I250-F281 HydrophobicContact CD1-CZ 4.44Å; L262-F281 HydrophobicContact CD1-CE2 3.95Å; L262-F281 HydrophobicContact CD1-CZ 3.49Å; L262-F281 VanDerWaalsContact CD1-CZ 3.49Å; A273-F281 CarbonylContact O-C 3.52Å; A273-F281 WeakPolarHBondContact O-CA 3.33Å; A273-F281 VanDerWaalsContact O-CB 3.23Å; A273-F281 WeakPolarHBondContact O-CB 3.45Å; F274-F281 HydrophobicContact CD1-CB 3.6Å; F274-F281 HydrophobicContact CD1-CG 4.44Å; F274-F281 HydrophobicContact CE1-CB 3.79Å; F274-F281 HydrophobicContact CE1-CD1 4.1Å; F274-F281 HydrophobicContact CE1-CG 4.15Å; F274-F281 HydrophobicContact CG-CB 4.35Å; F281-W293 HydrophobicContact CD1-CB 3.67Å; F281-W293 HydrophobicContact CD1-CG 4.49Å; F281-W293 HydrophobicContact CD2-CB 3.85Å; F281-W293 AromaticContact CD2-CD1 3.55Å; F281-W293 AromaticContact CD2-CG 3.82Å; F281-W293 HydrophobicContact CD2-CG 3.82Å; F281-W293 HydrophobicContact CE1-CB 3.29Å; F281-W293 HydrophobicContact CE1-CG 4.03Å; F281-W293 HydrophobicContact CE2-CB 3.46Å; F281-W293 VanDerWaalsContact CE2-CB 3.46Å; F281-W293 AromaticContact CE2-CD1 3.27Å; F281-W293 AromaticContact CE2-CD2 3.83Å; F281-W293 HydrophobicContact CE2-CD2 3.83Å; F281-W293 AromaticContact CE2-CG 3.24Å; F281-W293 HydrophobicContact CE2-CG 3.24Å; F281-W293 AromaticContact CE2-NE1 3.84Å; F281-W293 HydrophobicContact CG-CB 3.95Å; F281-W293 HydrophobicContact CG-CG 4.42Å; F281-W293 HydrophobicContact CZ-CB 3.17Å; F281-W293 AromaticContact CZ-CD1 3.92Å; F281-W293 AromaticContact CZ-CD2 3.85Å; F281-W293 HydrophobicContact CZ-CD2 3.85Å; F281-W293 HydrophobicContact CZ-CE3 4.29Å; F281-W293 AromaticContact CZ-CG 3.36Å; F281-W293 HydrophobicContact CZ-CG 3.36Å; F281-W293 PolarHBondContact N-O 2.97Å; F281-W293 PolarHBondContact O-N 3.02Å; F281-T295 HydrophobicContact CD1-CG2 3.47Å; F281-T295 VanDerWaalsContact CD1-CG2 3.47Å; F281-T295 HydrophobicContact CE1-CG2 3.96Å |
| 282 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | V20 F22 L29 A272 A273 F291 | V20-A282 HydrophobicContact CB-CB 4.49Å; V20-A282 HydrophobicContact CG2-CB 4.01Å; F22-A282 HydrophobicContact CE2-CB 3.61Å; F22-A282 HydrophobicContact CZ-CB 3.56Å; L29-A282 HydrophobicContact CD1-CB 3.67Å; L29-A282 HydrophobicContact CD2-CB 3.87Å; L29-A282 HydrophobicContact CG-CB 4.45Å; A272-A282 VanDerWaalsContact CA-O 3.26Å; A272-A282 WeakPolarHBondContact CA-O 3.48Å; A273-A282 PolarHBondContact N-O 3.28Å; A273-A282 PolarHBondContact O-N 3.12Å; A282-F291 CarbonylContact C-O 3.58Å; A282-F291 WeakPolarHBondContact CA-O 3.38Å |
| 283 | S | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150 | 170.2 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | H265 A271 V290 F291 W293 | H265-S283 WeakPolarHBondContact NE2-CB 3.24Å; H265-S283 PolarHBondContact NE2-OG 2.8Å; A271-S283 CarbonylContact O-C 3.54Å; A271-S283 VanDerWaalsContact O-CA 3.25Å; A271-S283 WeakPolarHBondContact O-CA 3.36Å; S283-V290 CarbonylContact O-C 3.57Å; S283-V290 VanDerWaalsContact O-CA 3.29Å; S283-V290 WeakPolarHBondContact O-CA 3.47Å; S283-F291 PolarHBondContact N-O 3.42Å; S283-F291 PolarHBondContact O-N 2.8Å; S283-W293 PolarHBondContact OG-NE1 2.98Å |
| 284 | G | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I269 T270 A271 Q289 | I269-G284 WeakPolarHBondContact CG2-O 3.21Å; T270-G284 PolarHBondContact N-O 3.06Å; T270-G284 PolarHBondContact OG1-O 3.37Å; A271-G284 PolarHBondContact N-O 3.35Å; A271-G284 PolarHBondContact O-N 2.92Å; G284-Q289 WeakPolarHBondContact CA-O 3.45Å |
| 285 | G | 96 | Very high | 95 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -178.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | I17 P268 D287 E288 Q289 | I17-G285 PolarHBondContact N-O 3.25Å; P268-G285 CarbonylContact O-C 3.57Å; P268-G285 VanDerWaalsContact O-CA 3.24Å; P268-G285 WeakPolarHBondContact O-CA 3.15Å; G285-D287 WeakPolarHBondContact CA-OD1 3.36Å; G285-D287 PolarHBondContact O-N 3.4Å; G285-E288 PolarHBondContact O-N 3.39Å; G285-Q289 PolarHBondContact N-O 3.19Å |
| 286 | N | 96.2 | Very high | 94.4 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.5 | 168.7 | -85.8 | 18 | 0 | 0 | 0 | 113.1 | S16 P268 T270 E288 | S16-N286 VanDerWaalsContact CB-OD1 3.3Å; S16-N286 WeakPolarHBondContact CB-OD1 3.14Å; S16-N286 PolarHBondContact OG-OD1 3.36Å; P268-N286 HydrophobicContact CB-CB 4.49Å; P268-N286 PolarHBondContact O-N 3.41Å; T270-N286 WeakPolarHBondContact CG2-OD1 3.47Å; N286-E288 PolarHBondContact O-N 2.59Å |
| 287 | D | 95.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 13.2 | 175.3 | 63.4 | -10 | 0 | 0 | 0 | 113.7 | H265 Q266 G285 Q289 | H265-D287 VanDerWaalsContact CA-OD2 3.25Å; H265-D287 WeakPolarHBondContact CA-OD2 3.25Å; H265-D287 IonicContact CE1-OD1 3.24Å; H265-D287 IonicContact CG-OD2 2.99Å; H265-D287 VanDerWaalsContact ND1-CG 3.33Å; H265-D287 IonicContact ND1-OD1 2.97Å; H265-D287 PolarHBondContact ND1-OD1 2.92Å; H265-D287 IonicContact ND1-OD2 3.58Å; H265-D287 PolarHBondContact ND1-OD2 3.36Å; Q266-D287 HydrophobicContact CB-CB 4.1Å; Q266-D287 PolarHBondContact N-OD2 2.67Å; G285-D287 WeakPolarHBondContact CA-OD1 3.36Å; G285-D287 PolarHBondContact O-N 3.4Å; D287-Q289 WeakPolarHBondContact O-CG 3.47Å; D287-Q289 PolarHBondContact O-N 3.44Å; D287-Q289 PolarHBondContact O-NE2 2.94Å; D287-Q289 PolarHBondContact OD1-N 3.38Å |
| 288 | E | 95.9 | Very high | 92 | Very high | 86 Ų | 86 | 29 Ų | 29 | 40% | 0.402 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 61.5 | 13.3 | 177.4 | -49.3 | 174.7 | -173.1 | 0 | 0 | 113.9 | I17 G285 N286 | I17-E288 VanDerWaalsContact CD1-C 3.48Å; G285-E288 PolarHBondContact O-N 3.39Å; N286-E288 PolarHBondContact O-N 2.59Å |
| 289 | Q | 94.8 | Very high | 89.9 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.3 | -174.3 | -74.8 | 174.3 | 82.5 | 0 | 0 | 112 | K11 I17 H265 G284 G285 D287 F291 | K11-Q289 HydrophobicContact CG-CG 4.02Å; I17-Q289 WeakPolarHBondContact CD1-O 3.28Å; H265-Q289 PolarHBondContact CE1-O 2.73Å; H265-Q289 VanDerWaalsContact CE1-O 3.28Å; G284-Q289 WeakPolarHBondContact CA-O 3.45Å; G285-Q289 PolarHBondContact N-O 3.19Å; D287-Q289 WeakPolarHBondContact O-CG 3.47Å; D287-Q289 PolarHBondContact O-N 3.44Å; D287-Q289 PolarHBondContact O-NE2 2.94Å; D287-Q289 PolarHBondContact OD1-N 3.38Å; Q289-F291 HydrophobicContact CB-CD1 4.46Å; Q289-F291 HydrophobicContact CB-CE1 3.91Å; Q289-F291 HydrophobicContact CB-CZ 4.3Å; Q289-F291 HydrophobicContact CG-CE1 4.49Å |
| 290 | V | 96.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.9 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | F10 I17 V20 L29 S283 | F10-V290 HydrophobicContact CB-CB 4.16Å; F10-V290 HydrophobicContact CD2-CB 4.2Å; F10-V290 HydrophobicContact CD2-CG1 4.15Å; F10-V290 PolarHBondContact N-O 3.25Å; F10-V290 PolarHBondContact O-N 3.43Å; F10-V290 VanDerWaalsContact O-N 3.14Å; I17-V290 HydrophobicContact CD1-CB 4.36Å; I17-V290 HydrophobicContact CD1-CG2 3.39Å; I17-V290 HydrophobicContact CG1-CG2 3.99Å; I17-V290 HydrophobicContact CG2-CG2 4.37Å; V20-V290 HydrophobicContact CG1-CG1 4.04Å; V20-V290 HydrophobicContact CG1-CG2 4.37Å; L29-V290 HydrophobicContact CD2-CG1 3.65Å; S283-V290 CarbonylContact O-C 3.57Å; S283-V290 VanDerWaalsContact O-CA 3.29Å; S283-V290 WeakPolarHBondContact O-CA 3.47Å |
| 291 | F | 96.2 | Very high | 84.8 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.8 | 175.2 | -69.1 | -18 | 0 | 0 | 0 | 110.6 | L6 H9 H265 A282 S283 Q289 W293 | L6-F291 HydrophobicContact CD1-CB 3.51Å; L6-F291 HydrophobicContact CD1-CD1 4.16Å; L6-F291 HydrophobicContact CD1-CD2 4.27Å; L6-F291 HydrophobicContact CD1-CG 3.73Å; H9-F291 HydrophobicContact CB-CD1 3.75Å; H9-F291 HydrophobicContact CB-CE1 3.77Å; H265-F291 AromaticContact CD2-CD2 3.67Å; H265-F291 AromaticContact CD2-CE2 3.94Å; H265-F291 AromaticContact CE1-CD2 3.48Å; H265-F291 VanDerWaalsContact CE1-CD2 3.48Å; H265-F291 WeakPolarHBondContact CE1-CD2 3.23Å; H265-F291 AromaticContact CE1-CE2 3.75Å; H265-F291 AromaticContact CE1-CG 3.89Å; H265-F291 AromaticContact CG-CE2 3.87Å; H265-F291 AromaticContact ND1-CD2 3.95Å; H265-F291 AromaticContact ND1-CE2 3.75Å; H265-F291 AromaticContact NE2-CD2 3.3Å; H265-F291 VanDerWaalsContact NE2-CD2 3.3Å; H265-F291 WeakPolarHBondContact NE2-CD2 3.44Å; H265-F291 AromaticContact NE2-CE2 3.89Å; H265-F291 AromaticContact NE2-CG 3.87Å; A282-F291 CarbonylContact C-O 3.58Å; A282-F291 WeakPolarHBondContact CA-O 3.38Å; S283-F291 PolarHBondContact N-O 3.42Å; S283-F291 PolarHBondContact O-N 2.8Å; Q289-F291 HydrophobicContact CB-CD1 4.46Å; Q289-F291 HydrophobicContact CB-CE1 3.91Å; Q289-F291 HydrophobicContact CB-CZ 4.3Å; Q289-F291 HydrophobicContact CG-CE1 4.49Å; F291-W293 HydrophobicContact CB-CZ2 4.25Å; F291-W293 AromaticContact CD2-CZ2 3.87Å; F291-W293 HydrophobicContact CD2-CZ2 3.87Å; F291-W293 HydrophobicContact CG-CZ2 4.49Å |
| 292 | L | 95.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.9 | 171 | -177.8 | 69.7 | 0 | 0 | 0 | 109 | Q7 I8 F10 F22 I43 H280 | Q7-L292 PolarHBondContact N-O 3.06Å; I8-L292 HydrophobicContact CB-CB 4.07Å; I8-L292 HydrophobicContact CB-CD2 4.35Å; I8-L292 HydrophobicContact CD1-CD2 3.85Å; I8-L292 HydrophobicContact CG1-CD2 4.14Å; I8-L292 PolarHBondContact N-O 2.95Å; I8-L292 PolarHBondContact O-N 2.9Å; F10-L292 HydrophobicContact CE2-CB 4.06Å; F22-L292 HydrophobicContact CE1-CD1 3.61Å; F22-L292 HydrophobicContact CZ-CD1 3.54Å; I43-L292 HydrophobicContact CG1-CD2 4.2Å; I43-L292 HydrophobicContact CG2-CD2 3.76Å; H280-L292 HydrophobicContact CB-CD1 4.12Å |
| 293 | W | 95.2 | Very high | 78.7 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 145.2 | -176 | -54.2 | 83.7 | 0 | 0 | 0 | 110.3 | S5 L6 L248 L262 H280 F281 S283 F291 | S5-W293 WeakPolarHBondContact O-CA 3.41Å; L6-W293 HydrophobicContact CB-CD2 4.49Å; L6-W293 HydrophobicContact CB-CE3 3.94Å; L6-W293 HydrophobicContact CB-CH2 4.43Å; L6-W293 HydrophobicContact CB-CZ3 3.91Å; L6-W293 HydrophobicContact CD1-CD2 4.11Å; L6-W293 HydrophobicContact CD1-CE3 4.37Å; L6-W293 HydrophobicContact CD1-CH2 4.49Å; L6-W293 HydrophobicContact CD1-CZ2 4.25Å; L248-W293 HydrophobicContact CD1-CZ2 4.36Å; L262-W293 HydrophobicContact CB-CH2 4.44Å; L262-W293 HydrophobicContact CD1-CE3 4.41Å; H280-W293 CarbonylContact C-O 3.59Å; H280-W293 WeakPolarHBondContact CA-O 3.2Å; H280-W293 WeakPolarHBondContact CB-O 3.34Å; F281-W293 HydrophobicContact CD1-CB 3.67Å; F281-W293 HydrophobicContact CD1-CG 4.49Å; F281-W293 HydrophobicContact CD2-CB 3.85Å; F281-W293 AromaticContact CD2-CD1 3.55Å; F281-W293 AromaticContact CD2-CG 3.82Å; F281-W293 HydrophobicContact CD2-CG 3.82Å; F281-W293 HydrophobicContact CE1-CB 3.29Å; F281-W293 HydrophobicContact CE1-CG 4.03Å; F281-W293 HydrophobicContact CE2-CB 3.46Å; F281-W293 VanDerWaalsContact CE2-CB 3.46Å; F281-W293 AromaticContact CE2-CD1 3.27Å; F281-W293 AromaticContact CE2-CD2 3.83Å; F281-W293 HydrophobicContact CE2-CD2 3.83Å; F281-W293 AromaticContact CE2-CG 3.24Å; F281-W293 HydrophobicContact CE2-CG 3.24Å; F281-W293 AromaticContact CE2-NE1 3.84Å; F281-W293 HydrophobicContact CG-CB 3.95Å; F281-W293 HydrophobicContact CG-CG 4.42Å; F281-W293 HydrophobicContact CZ-CB 3.17Å; F281-W293 AromaticContact CZ-CD1 3.92Å; F281-W293 AromaticContact CZ-CD2 3.85Å; F281-W293 HydrophobicContact CZ-CD2 3.85Å; F281-W293 HydrophobicContact CZ-CE3 4.29Å; F281-W293 AromaticContact CZ-CG 3.36Å; F281-W293 HydrophobicContact CZ-CG 3.36Å; F281-W293 PolarHBondContact N-O 2.97Å; F281-W293 PolarHBondContact O-N 3.02Å; S283-W293 PolarHBondContact OG-NE1 2.98Å; F291-W293 HydrophobicContact CB-CZ2 4.25Å; F291-W293 AromaticContact CD2-CZ2 3.87Å; F291-W293 HydrophobicContact CD2-CZ2 3.87Å; F291-W293 HydrophobicContact CG-CZ2 4.49Å |
| 294 | R | 93.6 | Very high | 75.5 | Confident | 133 Ų | 133 | 65 Ų | 65 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.7 | 168.5 | -159.9 | -178.9 | -178.9 | 158.7 | -0.7 | 109.6 | P4 S5 Q7 | P4-R294 VanDerWaalsContact CA-O 3.23Å; P4-R294 WeakPolarHBondContact CA-O 3.3Å; P4-R294 VanDerWaalsContact CB-O 3.25Å; P4-R294 WeakPolarHBondContact CB-O 3.48Å; S5-R294 PolarHBondContact N-O 3.35Å; S5-R294 PolarHBondContact O-N 2.72Å; S5-R294 WeakPolarHBondContact OG-CB 3.45Å; Q7-R294 HydrophobicContact CG-CB 3.99Å; Q7-R294 VanDerWaalsContact NE2-CB 3.33Å; Q7-R294 VanDerWaalsContact NE2-CG 3.35Å |
| 295 | T | 89 | Confident | 72.3 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | trans | -88.7 | 154.3 | 168.3 | 71.2 | 0 | 0 | 0 | 0 | 111 | F274 G278 D279 F281 F297 | F274-T295 HydrophobicContact CD1-CG2 4.37Å; F274-T295 HydrophobicContact CE1-CG2 4.04Å; G278-T295 WeakPolarHBondContact O-CB 3.3Å; G278-T295 WeakPolarHBondContact O-CG2 3.43Å; G278-T295 PolarHBondContact O-OG1 2.99Å; D279-T295 WeakPolarHBondContact CA-OG1 3.39Å; D279-T295 PolarHBondContact O-N 2.78Å; D279-T295 PolarHBondContact O-OG1 2.89Å; F281-T295 HydrophobicContact CD1-CG2 3.47Å; F281-T295 VanDerWaalsContact CD1-CG2 3.47Å; F281-T295 HydrophobicContact CE1-CG2 3.96Å; T295-F297 HydrophobicContact CG2-CD2 3.67Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CZ 4.19Å | ||
| 296 | N | 83.1 | Confident | 69.2 | Low | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | trans | -120.3 | 16.5 | 170.8 | -63.6 | -42.7 | 0 | 0 | 0 | 111.8 | E2 D3 N298 | E2-N296 HydrophobicContact CB-CB 4.21Å; E2-N296 WeakPolarHBondContact CB-ND2 3.5Å; E2-N296 PolarHBondContact O-ND2 3.09Å; E2-N296 VanDerWaalsContact O-ND2 3.15Å; D3-N296 PolarHBondContact O-ND2 3.38Å; N296-N298 VanDerWaalsContact C-N 3.34Å; N296-N298 PolarHBondContact O-N 2.83Å | ||
| 297 | F | 76.4 | Confident | 66 | Low | 5 Ų | 5 | 81.3 Ų | 81.3 | 2% | 0.022 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -72.5 | -27.2 | -169.9 | -49.1 | -38.2 | 0 | 0 | 0 | 113.1 | M1 H233 V238 I250 F260 F274 T295 R299 C300 | M1-F297 HydrophobicContact SD-CD1 3.61Å; M1-F297 HydrophobicContact SD-CE1 4.1Å; H233-F297 AromaticContact CD2-CD2 3.81Å; H233-F297 AromaticContact NE2-CD2 3.97Å; V238-F297 HydrophobicContact CB-CD2 4.49Å; V238-F297 HydrophobicContact CG1-CD2 4.14Å; V238-F297 HydrophobicContact CG1-CE2 4.14Å; V238-F297 HydrophobicContact CG2-CB 4.23Å; V238-F297 HydrophobicContact CG2-CD2 4.33Å; V238-F297 HydrophobicContact CG2-CG 4.11Å; I250-F297 HydrophobicContact CD1-CE1 4.29Å; I250-F297 HydrophobicContact CD1-CE2 4.23Å; I250-F297 HydrophobicContact CD1-CZ 3.46Å; I250-F297 VanDerWaalsContact CD1-CZ 3.46Å; I250-F297 HydrophobicContact CG2-CE1 4.36Å; I250-F297 HydrophobicContact CG2-CZ 4.08Å; F260-F297 HydrophobicContact CD2-CE1 4.23Å; F260-F297 AromaticContact CE2-CE1 3.89Å; F260-F297 HydrophobicContact CE2-CE1 3.89Å; F274-F297 HydrophobicContact CE1-CE2 4.01Å; F274-F297 HydrophobicContact CZ-CE2 4.36Å; T295-F297 HydrophobicContact CG2-CD2 3.67Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CZ 4.19Å; F297-R299 PolarHBondContact O-N 3.35Å; F297-R299 VanDerWaalsContact O-N 3.09Å; F297-C300 PolarHBondContact O-N 2.77Å |
| 298 | N | 59.4 | Low | 62.8 | Low | 75 Ų | 75 | 86 Ų | 86 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -69.1 | -7.4 | -177 | -70.5 | -22.3 | 0 | 0 | 0 | 114 | D279 N296 | D279-N298 PolarHBondContact OD1-ND2 2.8Å; N296-N298 VanDerWaalsContact C-N 3.34Å; N296-N298 PolarHBondContact O-N 2.83Å |
| 299 | R | 49.9 | Very low | 59.7 | Low | 192 Ų | 192 | 87.3 Ų | 87.3 | 73% | 0.725 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -79.7 | -10 | 176.4 | -72.4 | -173.5 | 174.7 | -169.8 | -0.3 | 114.7 | E2 F297 | E2-R299 IonicContact OE1-NH1 3.74Å; F297-R299 PolarHBondContact O-N 3.35Å; F297-R299 VanDerWaalsContact O-N 3.09Å |
| 300 | C | 41.3 | Very low | 56.7 | Low | 104 Ų | 104 | 92.8 Ų | 92.8 | 70% | 0.703 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -88.5 | 1.2 | -173.9 | -106.7 | 0 | 0 | 0 | 0 | 116.3 | F297 | F297-C300 PolarHBondContact O-N 2.77Š|
| 301 | G | 38.3 | Very low | 53.7 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -96.3 | -12.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 302 | V | 35 | Very low | 50.5 | Low | 123 Ų | 123 | 105 Ų | 105 | 75% | 0.745 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -117.3 | 1.7 | -163.3 | -175.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 303 | K | 30 | Very low | 47.2 | Very low | 201 Ų | 201 | 109.2 Ų | 109.2 | 87% | 0.874 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 10.2 | -176.7 | -79.6 | -169 | 174.9 | -175 | 0 | 116.7 | ||
| 304 | M | 31.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 117 Ų | 117 | 91% | 0.906 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 7.5 | -175.8 | -75.1 | -72.4 | -93.7 | 0 | 0 | 115.9 | ||
| 305 | T | 29.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -146.8 | 67.4 | 178.2 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 306 | T | 29.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 77% | 0.767 | 69% | 0.692 | S | S | * | * | trans | -164.4 | 66.7 | 149.4 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 307 | N | 30.2 | Very low | 35.9 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -106.5 | 87.7 | 151.6 | -83.1 | -6.8 | 0 | 0 | 0 | 106.2 | ||||
| 308 | T | 28.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -99 | 117.8 | 165.6 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 309 | P | 31 | Very low | 32.1 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -117.7 | 60.8 | 159.9 | 39 | -25.1 | 0 | 0 | 0 | 109.3 | ||||
| 310 | D | 31.8 | Very low | 31.1 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -108.3 | 93.9 | 177.9 | -74.4 | -15.5 | 0 | 0 | 0 | 110.6 | ||||
| 311 | N | 31.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -89.5 | 144.8 | 149.3 | -137.2 | -0.3 | 0 | 0 | 0 | 106.9 | ||||
| 312 | C | 29.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | 93.8 | 81.6 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 313 | S | 26.7 | Very low | 30.7 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | 44.2 | 110.9 | 116.1 | 61.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 314 | H | 30.8 | Very low | 30.7 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | 178.2 | 119.9 | 113.2 | -82.4 | -60.5 | 0 | 0 | 0 | 108.9 | |||||
| 315 | P | 31 | Very low | 30.7 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -99.8 | 135.1 | 177.1 | 34.8 | -26.7 | 0 | 0 | 0 | 111.8 | ||||
| 316 | I | 32.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -139.6 | 109.1 | 165.5 | -58.4 | -178.3 | 0 | 0 | 0 | 111.1 | ||||
| 317 | Y | 29.7 | Very low | 30.7 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 20.1 | 127 | 143.7 | -61.7 | -82.3 | 0 | 0 | 0 | 124 | ||||
| 318 | T | 25.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 18 | 138.5 | 131.5 | 59.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 319 | T | 30.7 | Very low | 31 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | -174.3 | 143.7 | 100.7 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 320 | S | 28.7 | Very low | 31 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -54.1 | 153.6 | 175 | 49.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 321 | N | 32.9 | Very low | 31.2 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -143.2 | 138.8 | 131.8 | -91.3 | -20.3 | 0 | 0 | 0 | 110 | ||||
| 322 | P | 35.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -89 | 128.9 | 178.7 | 34.6 | -27.8 | 0 | 0 | 0 | 110 | ||||
| 323 | D | 37.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -166.2 | 134.3 | 152.2 | -95.6 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 324 | G | 29.6 | Very low | 32.2 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | trans | -71 | 130.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 325 | S | 32.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -159.9 | 138.3 | 145.9 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | I | 28.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | trans | -82.3 | 156.7 | -176.2 | -70.1 | 164 | 0 | 0 | 0 | 110.4 | ||||
| 327 | S | 30.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 90.5 | 124.8 | 159.2 | 77.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 328 | R | 31 | Very low | 31.7 | Very low | 240 Ų | 240 | 132 Ų | 132 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | -164.5 | 100.2 | 121.3 | -102.4 | 169.6 | -172.5 | 175.2 | 3.8 | 109.6 | |||||
| 329 | D | 33.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | -61.4 | 136 | 159 | -78.1 | -41.6 | 0 | 0 | 0 | 109.6 | S331 | D329-S331 PolarHBondContact O-N 2.86Š| ||
| 330 | K | 32.6 | Very low | 31.4 | Very low | 214 Ų | 214 | 133.8 Ų | 133.8 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | trans | -74.1 | 90.1 | 173.2 | -71.5 | -179.9 | 177.9 | 178.1 | 0 | 109.1 | ||||
| 331 | S | 34.9 | Very low | 31.4 | Very low | 80 Ų | 80 | 135 Ų | 135 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | trans | -70.1 | 133.5 | 169.1 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | D329 Q333 | D329-S331 PolarHBondContact O-N 2.86Å; S331-Q333 PolarHBondContact O-N 3.14Å | ||
| 332 | I | 36.6 | Very low | 31.1 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 34% | 0.344 | 75% | 0.751 | S | S | . | * | trans | -61.4 | 117.1 | 170.4 | -59.2 | 173.6 | 0 | 0 | 0 | 108.7 | L254 I334 | L254-I332 HydrophobicContact CD2-CG2 4.48Å; I332-I334 HydrophobicContact CG2-CG1 3.73Å; I332-I334 PolarHBondContact O-N 3.34Å | ||
| 333 | Q | 35.6 | Very low | 30.8 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -83.1 | 98.9 | 160.9 | -73.6 | -175.4 | -10.5 | 0 | 0 | 107.6 | S331 N335 | S331-Q333 PolarHBondContact O-N 3.14Å; Q333-N335 PolarHBondContact O-N 2.97Å | ||
| 334 | I | 36.9 | Very low | 30.3 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 31% | 0.313 | 75% | 0.75 | S | S | . | * | trans | -72.4 | 108.7 | 167.6 | -59.4 | 173.4 | 0 | 0 | 0 | 106 | L208 L217 I332 S336 | L208-I334 HydrophobicContact CD2-CD1 4.38Å; L217-I334 HydrophobicContact CD1-CD1 4.05Å; I332-I334 HydrophobicContact CG2-CG1 3.73Å; I332-I334 PolarHBondContact O-N 3.34Å; I334-S336 PolarHBondContact O-N 2.84Å | ||
| 335 | N | 29.6 | Very low | 30.5 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 104.6 | 176.2 | -85.6 | -16.6 | 0 | 0 | 0 | 109.3 | Q333 H337 | Q333-N335 PolarHBondContact O-N 2.97Å; N335-H337 PolarHBondContact O-N 2.69Å; N335-H337 VanDerWaalsContact O-N 3.16Å | ||
| 336 | S | 29.7 | Very low | 30.3 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 49% | 0.49 | 75% | 0.749 | S | S | . | * | trans | -80.1 | 21 | 176.1 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | R215 I334 | R215-S336 PolarHBondContact NH2-OG 3.15Å; I334-S336 PolarHBondContact O-N 2.84Å | ||
| 337 | H | 26.7 | Very low | 30.3 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | -113.2 | 86.4 | 179.9 | -73.7 | -72.4 | 0 | 0 | 0 | 109.2 | N335 | N335-H337 PolarHBondContact O-N 2.69Å; N335-H337 VanDerWaalsContact O-N 3.16Å | ||
| 338 | L | 27.3 | Very low | 30 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 167.2 | 80.9 | 155.9 | -90.1 | 151.2 | 0 | 0 | 0 | 106.7 | ||
| 339 | L | 26.8 | Very low | 29.9 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | 176.8 | 86.5 | 156.6 | -92.5 | 145.7 | 0 | 0 | 0 | 108.7 | ||||
| 340 | C | 23.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 135 Ų | 135 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -143.3 | 108 | 158.1 | -85.1 | 0 | 0 | 0 | 0 | 105.9 | R342 | C340-R342 PolarHBondContact O-N 3.41Š| ||
| 341 | P | 28.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -75.6 | 101.8 | 158.5 | 27.2 | -19.8 | 0 | 0 | 0 | 106.6 | S343 | P341-S343 PolarHBondContact O-N 3.47Š| ||
| 342 | R | 26.5 | Very low | 29.2 | Very low | 250 Ų | 250 | 136.9 Ų | 136.9 | 94% | 0.943 | 75% | 0.746 | S | S | * | * | trans | -70.5 | 112.5 | 159.5 | -90.1 | -178 | 169.5 | 169.4 | -3.3 | 107.1 | C340 | C340-R342 PolarHBondContact O-N 3.41Š| ||
| 343 | S | 30 | Very low | 29 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -111.5 | 101.6 | 158.7 | 55.5 | 0 | 0 | 0 | 0 | 107.9 | P341 | P341-S343 PolarHBondContact O-N 3.47Š| ||
| 344 | D | 25.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -149.1 | 114 | 155.4 | -86.8 | -33.7 | 0 | 0 | 0 | 106.1 | ||||
| 345 | P | 34.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -83.4 | 128.2 | 171.6 | 30.6 | -26.3 | 0 | 0 | 0 | 109.7 | ||||
| 346 | Q | 28.1 | Very low | 28.3 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -60 | 131.1 | 165.3 | -76.4 | -179.2 | -38.6 | 0 | 0 | 110.3 | ||||
| 347 | V | 28.8 | Very low | 28.4 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -120.3 | 118.2 | 154.4 | 178 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 348 | T | 23.3 | Very low | 28.6 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -114.7 | 126.7 | 166.4 | 44.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 349 | S | 29.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 177.4 | 147.8 | 139.3 | 36.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 350 | S | 31.1 | Very low | 28.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -59.1 | 150.5 | -161.3 | -64.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 351 | E | 27.1 | Very low | 28.9 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 8.7 | 125.4 | 134 | -61.7 | 177.2 | 156 | 0 | 0 | 116.6 | ||||
| 352 | M | 27.8 | Very low | 29 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | 163.8 | 152.5 | 76.3 | -130.3 | 178 | 165.5 | 0 | 0 | 111.5 | |||||
| 353 | H | 31.8 | Very low | 29 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | 87.4 | 96.4 | 164.1 | -78.4 | -75.8 | 0 | 0 | 0 | 122.5 | ||||
| 354 | E | 29 | Very low | 29 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | 73.9 | 129.6 | 112.2 | -114.7 | -172.8 | 132.4 | 0 | 0 | 123.7 | |||||
| 355 | K | 30.1 | Very low | 29 | Very low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | 71.5 | 143.6 | 158.9 | -67.7 | 173.1 | 179.1 | 167.8 | 0 | 117.3 | ||||
| 356 | A | 28.9 | Very low | 28.7 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -173 | 158.7 | -20.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 357 | E | 30.6 | Very low | 28.6 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | 93.4 | 153.1 | 161.6 | -55.4 | -168.1 | 157.1 | 0 | 0 | 120.6 | ||||
| 358 | K | 30.7 | Very low | 28.6 | Very low | 204 Ų | 204 | 142.9 Ų | 142.9 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -104.4 | 168.8 | -138.2 | -91.6 | 174.2 | 175.6 | 175.8 | 0 | 114.2 | ||||
| 359 | P | 29.2 | Very low | 28.5 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -98.4 | 164.8 | -167.1 | 38.7 | -33.4 | 0 | 0 | 0 | 114.9 | ||||
| 360 | L | 28.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -148.8 | 131.4 | 165.1 | -110.2 | 115.4 | 0 | 0 | 0 | 114.1 | ||||
| 361 | F | 27.8 | Very low | 28.3 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -8.9 | 144.5 | 150 | -77 | -102.2 | 0 | 0 | 0 | 119.5 | ||||
| 362 | A | 29.7 | Very low | 28.2 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 163.4 | 153.6 | 98.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 363 | T | 26.1 | Very low | 28.3 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -64 | 155.1 | 176.2 | 46.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 364 | S | 30.1 | Very low | 28 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | 173.7 | 149.2 | 116.9 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 365 | E | 25.5 | Very low | 28.1 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -63.7 | 160.5 | 173.7 | -57.9 | 164.4 | 150 | 0 | 0 | 114.1 | ||||
| 366 | T | 28.7 | Very low | 28.1 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | 162.9 | 153.1 | 121.2 | 41.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 367 | A | 24.7 | Very low | 28.1 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -87.3 | 170.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 368 | V | 29.1 | Very low | 28.1 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -147.8 | 123.5 | 153.9 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 369 | D | 22 | Very low | 28.1 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -87.8 | 156.5 | 169.9 | -83.8 | -38.4 | 0 | 0 | 0 | 112 | ||||
| 370 | F | 27.7 | Very low | 28.1 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -153 | 157.5 | 151.6 | -101.4 | -75.7 | 0 | 0 | 0 | 113.7 | ||||
| 371 | H | 29.8 | Very low | 28.1 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -85.2 | 166.3 | -140.9 | -99.5 | -87.6 | 0 | 0 | 0 | 120.9 | ||||
| 372 | E | 24.2 | Very low | 27.9 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -56.1 | 159.8 | 174.5 | -62.6 | 167.3 | 122.1 | 0 | 0 | 118.5 | ||||
| 373 | T | 30.1 | Very low | 27.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | -160.2 | 144.3 | 124.5 | 12.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 374 | T | 25.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -92.1 | 147.5 | -164 | 42.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 375 | N | 30.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | -177.6 | 131.6 | 119.1 | -107.1 | -20.3 | 0 | 0 | 0 | 116 | |||||
| 376 | S | 30.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 58.2 | 118.3 | 144.3 | 67.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 377 | G | 28.8 | Very low | 27.4 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 146.4 | 96.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 378 | V | 31.5 | Very low | 27.4 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | 88.3 | 135.7 | 154.5 | -166.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 379 | Q | 30.3 | Very low | 27.5 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 134.7 | -162.9 | -69.4 | 156.4 | -25.9 | 0 | 0 | 114.7 | ||||
| 380 | N | 28 | Very low | 27.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | 20.6 | 159.2 | 128.4 | -82.4 | -4.4 | 0 | 0 | 0 | 121.8 | |||||
| 381 | P | 29.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -137.1 | 165.9 | -11.3 | 29.9 | -7.7 | 0 | 0 | 0 | 115.4 | ||||
| 382 | A | 25.1 | Very low | 28 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -49.5 | 131.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 383 | T | 27.9 | Very low | 28.3 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -110.9 | 84.6 | 158.8 | 39.8 | 0 | 0 | 0 | 0 | 109 | V385 | T383-V385 PolarHBondContact O-N 3.44Å; T383-V385 VanDerWaalsContact O-N 3.15Å | ||
| 384 | S | 24.7 | Very low | 28.2 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 97.1 | 157.7 | 57.6 | 0 | 0 | 0 | 0 | 108.3 | K386 | S384-K386 PolarHBondContact O-N 3.33Š| ||
| 385 | V | 26.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -86.4 | 101.6 | 171.5 | -179 | 0 | 0 | 0 | 0 | 108.4 | T383 C387 | T383-V385 PolarHBondContact O-N 3.44Å; T383-V385 VanDerWaalsContact O-N 3.15Å; V385-C387 PolarHBondContact O-N 3.08Å | ||
| 386 | K | 23 | Very low | 28.2 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -67.1 | 106.6 | 163.7 | -94 | 176.6 | 174.1 | 171.8 | 0 | 108.7 | S384 H388 | S384-K386 PolarHBondContact O-N 3.33Å; K386-H388 PolarHBondContact O-N 2.59Å | ||
| 387 | C | 26.1 | Very low | 28 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | trans | -75.8 | 101.6 | 165.5 | -59.1 | 0 | 0 | 0 | 0 | 109 | V385 F389 | V385-C387 PolarHBondContact O-N 3.08Å; C387-F389 PolarHBondContact O-N 3.35Å | ||
| 388 | H | 26.1 | Very low | 28 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 107.8 | 172.7 | -80.6 | -80.6 | 0 | 0 | 0 | 110.5 | K386 | K386-H388 PolarHBondContact O-N 2.59Š| ||
| 389 | F | 30.8 | Very low | 27.7 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 133.1 | 151.8 | -66 | -87.1 | 0 | 0 | 0 | 107.9 | C387 | C387-F389 PolarHBondContact O-N 3.35Š|
| 390 | P | 29.9 | Very low | 27.7 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 130.4 | 172 | 26.5 | -30.3 | 0 | 0 | 0 | 109.3 | ||
| 391 | P | 31 | Very low | 27.7 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 147 | 176.8 | 31.8 | -31.5 | 0 | 0 | 0 | 110.8 | ||
| 392 | T | 28.4 | Very low | 27.5 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -21.4 | 123 | 161.6 | 47.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 393 | F | 30.6 | Very low | 27.6 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 134.9 | 162.2 | -96.9 | -85.7 | 0 | 0 | 0 | 111.4 | ||
| 394 | R | 28.9 | Very low | 27.5 | Very low | 234 Ų | 234 | 141.2 Ų | 141.2 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 143.1 | 177.5 | -77.2 | 176.7 | 172.1 | 174.6 | -3.1 | 111.9 | ||
| 395 | T | 25.2 | Very low | 27.7 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 131.7 | 167.8 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 396 | H | 30.6 | Very low | 27.6 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -123.6 | 120.8 | 147.3 | -93.9 | -77.9 | 0 | 0 | 0 | 108.9 | ||||
| 397 | S | 26.1 | Very low | 28 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -61.2 | 135.6 | 170.5 | 53 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 398 | G | 29.2 | Very low | 28.2 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -166.7 | 89.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 399 | V | 25 | Very low | 28.2 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -57.4 | 137.6 | 168.5 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | I | 30.4 | Very low | 28.2 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | trans | -177.6 | 115.3 | 131.8 | -85 | 147.9 | 0 | 0 | 0 | 110.4 | ||||
| 401 | S | 27.4 | Very low | 28.1 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 36.2 | 114.4 | 140.8 | -130.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 402 | S | 24.6 | Very low | 27.9 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | 20.9 | 117.6 | 128.8 | 64.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 403 | M | 28.3 | Very low | 27.9 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 94% | 0.936 | 81% | 0.81 | S | S | * | * | trans | -147.2 | 118.6 | 130.5 | -78 | -145.4 | 173.4 | 0 | 0 | 110.7 | ||||
| 404 | T | 24.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -62.7 | 133.9 | 165.1 | 29.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 405 | L | 29.9 | Very low | 27.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -138.8 | 127.1 | 153.7 | -78.2 | 174.8 | 0 | 0 | 0 | 110.3 | ||||
| 406 | P | 25 | Very low | 27.8 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | -90.4 | 139.4 | 176.5 | 35.3 | -28.7 | 0 | 0 | 0 | 109.4 | ||||
| 407 | L | 29.7 | Very low | 27.9 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -146.8 | 89.9 | 162.4 | -96.5 | 115.2 | 0 | 0 | 0 | 112.2 | ||||
| 408 | T | 31.6 | Very low | 27.9 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | 24.8 | 119.6 | 125.4 | 57 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 409 | S | 25.9 | Very low | 28 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -56.2 | 128.3 | 158.7 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 410 | N | 31.4 | Very low | 28.4 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -126.1 | 104.8 | 158.5 | -102.3 | -17.9 | 0 | 0 | 0 | 109 | ||||
| 411 | V | 26.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -87.1 | 115.2 | 160.5 | -175.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 412 | N | 27.6 | Very low | 28.4 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | 175.9 | 99.1 | 160 | -89.4 | -20.3 | 0 | 0 | 0 | 109 | ||||
| 413 | F | 28.6 | Very low | 28.5 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | trans | -159.9 | 83.1 | 155.9 | -104 | -72.6 | 0 | 0 | 0 | 109.7 | ||||
| 414 | L | 26.4 | Very low | 28.9 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -147.7 | 85.1 | 153.3 | -84.4 | -179.6 | 0 | 0 | 0 | 108.5 | ||||
| 415 | Q | 27.4 | Very low | 29.1 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -158.4 | 142.4 | 151.8 | -121.3 | 174.6 | 5.5 | 0 | 0 | 110.5 | ||||
| 416 | A | 28.5 | Very low | 29.1 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | 77.4 | 93.6 | 169 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 417 | N | 31.3 | Very low | 29.4 | Very low | 174 Ų | 174 | 142 Ų | 142 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | -155.6 | 103.3 | 116.8 | -103.9 | -14.6 | 0 | 0 | 0 | 111.4 | |||||
| 418 | S | 28 | Very low | 29.9 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -85.9 | 150.5 | 165.4 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 419 | K | 30.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 149.3 Ų | 149.3 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | 85.1 | 113.4 | 174.5 | -51.7 | 175 | -180 | -180 | 0 | 111.1 | ||||
| 420 | T | 33 | Very low | 31.8 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | cis | -164.9 | 139.6 | 49.2 | 37.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 421 | A | 30 | Very low | 33.5 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 60.3 | 117.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 422 | G | 27.9 | Very low | 35.9 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | 118.4 | 96 | 124.6 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 423 | G | 27.2 | Very low | 38.2 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 85.9 | 102.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 424 | L | 35.6 | Very low | 40.8 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | 160.5 | 78.7 | 135.4 | -84.8 | 153.8 | 0 | 0 | 0 | 108.7 | ||||
| 425 | E | 28.9 | Very low | 43.2 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 112.8 | 158.5 | -71.5 | 179.6 | 157.1 | 0 | 0 | 108.1 | ||||
| 426 | S | 30.5 | Very low | 45.7 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 169.1 | 139.2 | 136.2 | 68.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 427 | E | 31 | Very low | 48.4 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 84% | 0.841 | 72% | 0.721 | S | S | * | * | trans | 91.5 | 56.2 | -176.8 | -58 | -164.4 | 139.4 | 0 | 0 | 116.8 | ||||
| 428 | R | 40 | Very low | 51 | Low | 245 Ų | 245 | 121.4 Ų | 121.4 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -95.9 | 107 | 140.3 | -83.3 | -172.4 | -179.3 | -173.2 | 0.7 | 107.8 | N430 | R428-N430 PolarHBondContact O-N 3.02Š| ||
| 429 | Q | 47.9 | Very low | 53.7 | Low | 182 Ų | 182 | 121.4 Ų | 121.4 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -59.9 | 116.2 | 173.7 | -78.2 | 175.2 | -16.7 | 0 | 0 | 109.7 | V431 | Q429-V431 PolarHBondContact O-N 3.39Š| ||
| 430 | N | 49.8 | Very low | 56.3 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | trans | -61.6 | 108.2 | 172.9 | -85 | -32.4 | 0 | 0 | 0 | 110.1 | R428 | R428-N430 PolarHBondContact O-N 3.02Š| ||
| 431 | V | 65.6 | Low | 58.8 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | -67.3 | 129.4 | 160.4 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | Q429 L435 | Q429-V431 PolarHBondContact O-N 3.39Å; V431-L435 HydrophobicContact CG1-CB 4.07Å; V431-L435 HydrophobicContact CG1-CD2 4Å | ||
| 432 | P | 77.6 | Confident | 61.5 | Low | 65 Ų | 65 | 116.6 Ų | 116.6 | 42% | 0.422 | 65% | 0.647 | S | S | . | * | trans | -58.6 | 136.7 | 177.8 | -20.9 | 30.3 | 0 | 0 | 0 | 110.7 | P434 L435 S436 | P432-P434 VanDerWaalsContact C-N 3.32Å; P432-P434 HydrophobicContact CB-CG 4.1Å; P432-L435 HydrophobicContact CB-CB 4.22Å; P432-L435 HydrophobicContact CG-CB 4.4Å; P432-L435 WeakPolarHBondContact O-CA 3.34Å; P432-L435 VanDerWaalsContact O-CB 3.31Å; P432-L435 WeakPolarHBondContact O-CB 3.42Å; P432-L435 PolarHBondContact O-N 3.3Å; P432-S436 PolarHBondContact O-N 3.32Å; P432-S436 VanDerWaalsContact O-N 3.11Å | ||
| 433 | P | 76.9 | Confident | 64.4 | Low | 96 Ų | 96 | 116.8 Ų | 116.8 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -54.1 | -33.3 | 177.1 | 16.5 | -26.2 | 0 | 0 | 0 | 115.8 | L435 S436 T437 | P433-L435 PolarHBondContact O-N 2.97Å; P433-S436 PolarHBondContact O-OG 3.41Å; P433-T437 WeakPolarHBondContact O-CG2 3.29Å; P433-T437 PolarHBondContact O-N 2.93Å; P433-T437 PolarHBondContact O-OG1 2.53Å |
| 434 | P | 82.7 | Confident | 67.3 | Low | 84 Ų | 84 | 115.9 Ų | 115.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -25.5 | 172 | 24.4 | -33.7 | 0 | 0 | 0 | 112.9 | P432 T437 T438 | P432-P434 VanDerWaalsContact C-N 3.32Å; P432-P434 HydrophobicContact CB-CG 4.1Å; P434-T437 VanDerWaalsContact C-OG1 3.3Å; P434-T437 VanDerWaalsContact CA-OG1 3.31Å; P434-T437 WeakPolarHBondContact CA-OG1 3.43Å; P434-T437 PolarHBondContact O-OG1 3Å; P434-T438 WeakPolarHBondContact O-CB 3.27Å; P434-T438 PolarHBondContact O-N 3.26Å; P434-T438 VanDerWaalsContact O-N 3.13Å; P434-T438 PolarHBondContact O-OG1 3.4Å |
| 435 | L | 76.3 | Confident | 69.8 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -82.6 | -35.2 | -178.8 | -148.1 | 136.4 | 0 | 0 | 0 | 111.3 | V431 P432 P433 T438 L439 | V431-L435 HydrophobicContact CG1-CB 4.07Å; V431-L435 HydrophobicContact CG1-CD2 4Å; P432-L435 HydrophobicContact CB-CB 4.22Å; P432-L435 HydrophobicContact CG-CB 4.4Å; P432-L435 WeakPolarHBondContact O-CA 3.34Å; P432-L435 VanDerWaalsContact O-CB 3.31Å; P432-L435 WeakPolarHBondContact O-CB 3.42Å; P432-L435 PolarHBondContact O-N 3.3Å; P433-L435 PolarHBondContact O-N 2.97Å; L435-T438 PolarHBondContact O-N 3.23Å; L435-L439 HydrophobicContact CD2-CD1 4.02Å; L435-L439 HydrophobicContact CD2-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.22Å; L435-L439 PolarHBondContact O-N 2.75Å |
| 436 | S | 81 | Confident | 72.6 | Confident | 44 Ų | 44 | 107.7 Ų | 107.7 | 31% | 0.308 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.3 | -43.7 | 172 | 64.2 | 0 | 0 | 0 | 0 | 112 | P432 P433 T438 L439 E440 | P432-S436 PolarHBondContact O-N 3.32Å; P432-S436 VanDerWaalsContact O-N 3.11Å; P433-S436 PolarHBondContact O-OG 3.41Å; S436-T438 VanDerWaalsContact C-N 3.34Å; S436-T438 PolarHBondContact O-N 3.02Å; S436-L439 PolarHBondContact O-N 2.87Å; S436-E440 WeakPolarHBondContact O-CG 3.3Å; S436-E440 PolarHBondContact O-N 3.28Å |
| 437 | T | 85.4 | Confident | 75.4 | Confident | 78 Ų | 78 | 107.2 Ų | 107.2 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.2 | -38.1 | 175.9 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | P433 P434 E440 H441 | P433-T437 WeakPolarHBondContact O-CG2 3.29Å; P433-T437 PolarHBondContact O-N 2.93Å; P433-T437 PolarHBondContact O-OG1 2.53Å; P434-T437 VanDerWaalsContact C-OG1 3.3Å; P434-T437 VanDerWaalsContact CA-OG1 3.31Å; P434-T437 WeakPolarHBondContact CA-OG1 3.43Å; P434-T437 PolarHBondContact O-OG1 3Å; T437-E440 PolarHBondContact O-N 3.13Å; T437-H441 WeakPolarHBondContact O-CB 3.17Å; T437-H441 PolarHBondContact O-N 2.89Å |
| 438 | T | 85.9 | Confident | 78.1 | Confident | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 173.8 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | P434 L435 S436 H441 I442 | P434-T438 WeakPolarHBondContact O-CB 3.27Å; P434-T438 PolarHBondContact O-N 3.26Å; P434-T438 VanDerWaalsContact O-N 3.13Å; P434-T438 PolarHBondContact O-OG1 3.4Å; L435-T438 PolarHBondContact O-N 3.23Å; S436-T438 VanDerWaalsContact C-N 3.34Å; S436-T438 PolarHBondContact O-N 3.02Å; T438-H441 PolarHBondContact O-N 3.15Å; T438-I442 HydrophobicContact CG2-CD1 4.1Å; T438-I442 WeakPolarHBondContact O-CG1 3.25Å; T438-I442 PolarHBondContact O-N 3.43Å |
| 439 | L | 83.6 | Confident | 80.4 | Confident | 93 Ų | 93 | 96.7 Ų | 96.7 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.6 | -75.9 | 169.8 | 0 | 0 | 0 | 112 | L435 S436 H441 I442 V443 | L435-L439 HydrophobicContact CD2-CD1 4.02Å; L435-L439 HydrophobicContact CD2-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CB 3.5Å; L435-L439 WeakPolarHBondContact O-CG 3.22Å; L435-L439 PolarHBondContact O-N 2.75Å; S436-L439 PolarHBondContact O-N 2.87Å; L439-H441 VanDerWaalsContact C-N 3.3Å; L439-H441 PolarHBondContact O-N 2.57Å; L439-I442 PolarHBondContact O-N 2.93Å; L439-V443 WeakPolarHBondContact O-CG2 3.25Å; L439-V443 PolarHBondContact O-N 3.4Å |
| 440 | E | 85.6 | Confident | 82.4 | Confident | 134 Ų | 134 | 92.5 Ų | 92.5 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 174.6 | -74.9 | 173.4 | -175.6 | 0 | 0 | 111.9 | S436 T437 V443 S444 | S436-E440 WeakPolarHBondContact O-CG 3.3Å; S436-E440 PolarHBondContact O-N 3.28Å; T437-E440 PolarHBondContact O-N 3.13Å; E440-V443 PolarHBondContact O-N 3.25Å; E440-S444 PolarHBondContact O-N 3.07Å |
| 441 | H | 86.5 | Confident | 84.2 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.3 | -168.9 | -102.6 | 0 | 0 | 0 | 112.5 | T437 T438 L439 S444 Q445 | T437-H441 WeakPolarHBondContact O-CB 3.17Å; T437-H441 PolarHBondContact O-N 2.89Å; T438-H441 PolarHBondContact O-N 3.15Å; L439-H441 VanDerWaalsContact C-N 3.3Å; L439-H441 PolarHBondContact O-N 2.57Å; H441-S444 PolarHBondContact O-N 2.93Å; H441-S444 PolarHBondContact O-OG 3.13Å; H441-S444 VanDerWaalsContact O-OG 3.09Å; H441-Q445 PolarHBondContact CE1-NE2 2.78Å; H441-Q445 WeakPolarHBondContact O-CG 3.31Å; H441-Q445 PolarHBondContact O-N 2.83Å |
| 442 | I | 86.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 90.4 Ų | 90.4 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.7 | -68.9 | 165.9 | 0 | 0 | 0 | 110.6 | T438 L439 S444 Q445 L446 | T438-I442 HydrophobicContact CG2-CD1 4.1Å; T438-I442 WeakPolarHBondContact O-CG1 3.25Å; T438-I442 PolarHBondContact O-N 3.43Å; L439-I442 PolarHBondContact O-N 2.93Å; I442-S444 VanDerWaalsContact C-N 3.33Å; I442-S444 PolarHBondContact O-N 3.02Å; I442-Q445 PolarHBondContact O-N 2.86Å; I442-L446 HydrophobicContact CG2-CD1 4.08Å; I442-L446 WeakPolarHBondContact O-CG 3.3Å; I442-L446 PolarHBondContact O-N 2.76Å |
| 443 | V | 87.9 | Confident | 86 | Confident | 86 Ų | 86 | 90.7 Ų | 90.7 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L439 E440 Q445 L446 D447 | L439-V443 WeakPolarHBondContact O-CG2 3.25Å; L439-V443 PolarHBondContact O-N 3.4Å; E440-V443 PolarHBondContact O-N 3.25Å; V443-Q445 VanDerWaalsContact C-N 3.35Å; V443-Q445 PolarHBondContact O-N 2.79Å; V443-L446 PolarHBondContact O-N 3.37Å; V443-D447 PolarHBondContact O-N 2.73Å |
| 444 | S | 87.3 | Confident | 86.5 | Confident | 51 Ų | 51 | 89 Ų | 89 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 177.6 | 88.4 | 0 | 0 | 0 | 0 | 112.9 | E440 H441 I442 D447 I448 | E440-S444 PolarHBondContact O-N 3.07Å; H441-S444 PolarHBondContact O-N 2.93Å; H441-S444 PolarHBondContact O-OG 3.13Å; H441-S444 VanDerWaalsContact O-OG 3.09Å; I442-S444 VanDerWaalsContact C-N 3.33Å; I442-S444 PolarHBondContact O-N 3.02Å; S444-D447 PolarHBondContact O-N 3.41Å; S444-I448 WeakPolarHBondContact O-CG1 3.25Å; S444-I448 PolarHBondContact O-N 2.84Å; S444-I448 VanDerWaalsContact O-N 3.11Å |
| 445 | Q | 88.1 | Confident | 86.8 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 175.5 | -72.8 | -159 | -15.4 | 0 | 0 | 112.8 | H441 I442 V443 D447 I448 L449 | H441-Q445 PolarHBondContact CE1-NE2 2.78Å; H441-Q445 WeakPolarHBondContact O-CG 3.31Å; H441-Q445 PolarHBondContact O-N 2.83Å; I442-Q445 PolarHBondContact O-N 2.86Å; V443-Q445 VanDerWaalsContact C-N 3.35Å; V443-Q445 PolarHBondContact O-N 2.79Å; Q445-D447 VanDerWaalsContact C-N 3.35Å; Q445-I448 PolarHBondContact O-N 3.01Å; Q445-L449 PolarHBondContact O-N 3.3Å |
| 446 | L | 89.1 | Confident | 87.4 | Confident | 98 Ų | 98 | 90.7 Ų | 90.7 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 174.7 | -71.7 | 169.4 | 0 | 0 | 0 | 111.8 | I442 V443 L449 T450 | I442-L446 HydrophobicContact CG2-CD1 4.08Å; I442-L446 WeakPolarHBondContact O-CG 3.3Å; I442-L446 PolarHBondContact O-N 2.76Å; V443-L446 PolarHBondContact O-N 3.37Å; L446-L449 PolarHBondContact O-N 2.9Å; L446-T450 WeakPolarHBondContact O-CB 3.44Å; L446-T450 PolarHBondContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 3.04Å |
| 447 | D | 87.6 | Confident | 87.7 | Confident | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 174 | -81.9 | -17.8 | 0 | 0 | 0 | 111.9 | V443 S444 Q445 T450 Q451 | V443-D447 PolarHBondContact O-N 2.73Å; S444-D447 PolarHBondContact O-N 3.41Å; Q445-D447 VanDerWaalsContact C-N 3.35Å; D447-T450 PolarHBondContact O-N 2.94Å; D447-Q451 WeakPolarHBondContact O-CG 3.45Å; D447-Q451 PolarHBondContact O-N 3.19Å |
| 448 | I | 89.1 | Confident | 87.7 | Confident | 102 Ų | 102 | 97 Ų | 97 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.5 | -65.9 | 166.3 | 0 | 0 | 0 | 110.4 | S444 Q445 T450 Q451 T452 | S444-I448 WeakPolarHBondContact O-CG1 3.25Å; S444-I448 PolarHBondContact O-N 2.84Å; S444-I448 VanDerWaalsContact O-N 3.11Å; Q445-I448 PolarHBondContact O-N 3.01Å; I448-T450 VanDerWaalsContact C-N 3.31Å; I448-T450 PolarHBondContact O-N 2.8Å; I448-Q451 PolarHBondContact O-N 2.8Å; I448-T452 HydrophobicContact CG2-CG2 4.43Å; I448-T452 WeakPolarHBondContact O-CG2 2.94Å; I448-T452 PolarHBondContact O-N 3.21Å; I448-T452 PolarHBondContact O-OG1 3.24Å |
| 449 | L | 87.2 | Confident | 87.7 | Confident | 102 Ų | 102 | 101.4 Ų | 101.4 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 176.2 | -96.7 | 156.8 | 0 | 0 | 0 | 111.5 | Q445 L446 Q451 T452 V453 | Q445-L449 PolarHBondContact O-N 3.3Å; L446-L449 PolarHBondContact O-N 2.9Å; L449-Q451 VanDerWaalsContact C-N 3.33Å; L449-Q451 PolarHBondContact O-N 2.81Å; L449-T452 WeakPolarHBondContact CA-OG1 3.5Å; L449-T452 PolarHBondContact O-N 3.24Å; L449-T452 VanDerWaalsContact O-N 3.17Å; L449-T452 PolarHBondContact O-OG1 3.34Å; L449-V453 WeakPolarHBondContact O-CG2 3.19Å; L449-V453 PolarHBondContact O-N 3.1Å |
| 450 | T | 90 | Very high | 87.7 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 178.4 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | L446 D447 I448 S454 | L446-T450 WeakPolarHBondContact O-CB 3.44Å; L446-T450 PolarHBondContact O-N 3.11Å; L446-T450 PolarHBondContact O-OG1 3.04Å; D447-T450 PolarHBondContact O-N 2.94Å; I448-T450 VanDerWaalsContact C-N 3.31Å; I448-T450 PolarHBondContact O-N 2.8Å; T450-S454 PolarHBondContact O-N 3.36Å; T450-S454 VanDerWaalsContact O-N 3.16Å |
| 451 | Q | 88 | Confident | 87.6 | Confident | 135 Ų | 135 | 99 Ų | 99 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 174.6 | -71.3 | 179.5 | 9.3 | 0 | 0 | 112.4 | D447 I448 L449 V453 S454 L455 | D447-Q451 WeakPolarHBondContact O-CG 3.45Å; D447-Q451 PolarHBondContact O-N 3.19Å; I448-Q451 PolarHBondContact O-N 2.8Å; L449-Q451 VanDerWaalsContact C-N 3.33Å; L449-Q451 PolarHBondContact O-N 2.81Å; Q451-V453 VanDerWaalsContact C-N 3.35Å; Q451-V453 PolarHBondContact O-N 3.5Å; Q451-S454 PolarHBondContact O-N 3.19Å; Q451-S454 PolarHBondContact O-OG 3.27Å; Q451-L455 WeakPolarHBondContact O-CB 3.27Å; Q451-L455 PolarHBondContact O-N 2.93Å; Q451-L455 VanDerWaalsContact O-N 3.07Å |
| 452 | T | 90.1 | Very high | 87.4 | Confident | 65 Ų | 65 | 99.4 Ų | 99.4 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.4 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | I448 L449 L455 L456 | I448-T452 HydrophobicContact CG2-CG2 4.43Å; I448-T452 WeakPolarHBondContact O-CG2 2.94Å; I448-T452 PolarHBondContact O-N 3.21Å; I448-T452 PolarHBondContact O-OG1 3.24Å; L449-T452 WeakPolarHBondContact CA-OG1 3.5Å; L449-T452 PolarHBondContact O-N 3.24Å; L449-T452 VanDerWaalsContact O-N 3.17Å; L449-T452 PolarHBondContact O-OG1 3.34Å; T452-L455 PolarHBondContact O-N 2.99Å; T452-L456 WeakPolarHBondContact O-CG 3.14Å; T452-L456 PolarHBondContact O-N 3.4Å |
| 453 | V | 90.4 | Very high | 86.9 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | L449 Q451 L455 L456 E457 | L449-V453 WeakPolarHBondContact O-CG2 3.19Å; L449-V453 PolarHBondContact O-N 3.1Å; Q451-V453 VanDerWaalsContact C-N 3.35Å; Q451-V453 PolarHBondContact O-N 3.5Å; V453-L455 VanDerWaalsContact C-N 3.28Å; V453-L455 PolarHBondContact O-N 2.96Å; V453-L456 PolarHBondContact O-N 3.48Å; V453-E457 PolarHBondContact O-N 3.4Å |
| 454 | S | 88.4 | Confident | 86.3 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 178.6 | 93.8 | 0 | 0 | 0 | 0 | 112.6 | T450 Q451 E457 Q458 | T450-S454 PolarHBondContact O-N 3.36Å; T450-S454 VanDerWaalsContact O-N 3.16Å; Q451-S454 PolarHBondContact O-N 3.19Å; Q451-S454 PolarHBondContact O-OG 3.27Å; S454-E457 PolarHBondContact O-N 2.96Å; S454-Q458 PolarHBondContact O-N 3.41Å |
| 455 | L | 88.3 | Confident | 85.3 | Confident | 96 Ų | 96 | 108.3 Ų | 108.3 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.9 | -33.8 | 177.2 | -145.9 | 147 | 0 | 0 | 0 | 111.8 | Q451 T452 V453 R459 | Q451-L455 WeakPolarHBondContact O-CB 3.27Å; Q451-L455 PolarHBondContact O-N 2.93Å; Q451-L455 VanDerWaalsContact O-N 3.07Å; T452-L455 PolarHBondContact O-N 2.99Å; V453-L455 VanDerWaalsContact C-N 3.28Å; V453-L455 PolarHBondContact O-N 2.96Å; L455-R459 PolarHBondContact O-N 3.11Å; L455-R459 VanDerWaalsContact O-N 3.07Å |
| 456 | L | 88.5 | Confident | 83.8 | Confident | 114 Ų | 114 | 114.5 Ų | 114.5 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.4 | -43.2 | 171.9 | -74.7 | 168.8 | 0 | 0 | 0 | 111.8 | T452 V453 Q458 R459 L460 | T452-L456 WeakPolarHBondContact O-CG 3.14Å; T452-L456 PolarHBondContact O-N 3.4Å; V453-L456 PolarHBondContact O-N 3.48Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; L456-Q458 PolarHBondContact O-N 3.33Å; L456-R459 PolarHBondContact O-N 3.06Å; L456-R459 VanDerWaalsContact O-N 3.15Å; L456-L460 PolarHBondContact O-N 2.97Å |
| 457 | E | 87.3 | Confident | 83.5 | Confident | 126 Ų | 126 | 115.4 Ų | 115.4 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.1 | -42.4 | 173.7 | -73.3 | 178.8 | 166.7 | 0 | 0 | 111.6 | V453 S454 R459 L460 T461 | V453-E457 PolarHBondContact O-N 3.4Å; S454-E457 PolarHBondContact O-N 2.96Å; E457-R459 VanDerWaalsContact C-N 3.33Å; E457-R459 PolarHBondContact O-N 3.04Å; E457-L460 PolarHBondContact O-N 3.14Å; E457-T461 WeakPolarHBondContact O-CG2 3.16Å; E457-T461 PolarHBondContact O-N 2.88Å; E457-T461 PolarHBondContact O-OG1 2.75Å |
| 458 | Q | 85.2 | Confident | 83.3 | Confident | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -37.8 | 173.3 | -102.8 | -173.2 | -23.5 | 0 | 0 | 113 | S454 L456 T461 L462 | S454-Q458 PolarHBondContact O-N 3.41Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; L456-Q458 PolarHBondContact O-N 3.33Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.44Å; Q458-T461 PolarHBondContact O-OG1 3.18Å; Q458-L462 WeakPolarHBondContact O-CG 3.15Å; Q458-L462 PolarHBondContact O-N 3.39Å |
| 459 | R | 86.4 | Confident | 83 | Confident | 171 Ų | 171 | 117.1 Ų | 117.1 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.2 | -37.3 | 176.7 | -80.7 | -169.5 | 175.3 | -163.3 | 0.6 | 112.6 | L455 L456 E457 L462 L463 | L455-R459 PolarHBondContact O-N 3.11Å; L455-R459 VanDerWaalsContact O-N 3.07Å; L456-R459 PolarHBondContact O-N 3.06Å; L456-R459 VanDerWaalsContact O-N 3.15Å; E457-R459 VanDerWaalsContact C-N 3.33Å; E457-R459 PolarHBondContact O-N 3.04Å; R459-L462 PolarHBondContact O-N 3.01Å; R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.14Å |
| 460 | L | 84.7 | Confident | 82.7 | Confident | 108 Ų | 108 | 117.9 Ų | 117.9 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -46.7 | 177.3 | -142.7 | 92.7 | 0 | 0 | 0 | 110.6 | L456 E457 L462 L463 E464 | L456-L460 PolarHBondContact O-N 2.97Å; E457-L460 PolarHBondContact O-N 3.14Å; L460-L462 VanDerWaalsContact C-N 3.29Å; L460-L462 PolarHBondContact O-N 3.42Å; L460-L463 PolarHBondContact O-N 3.21Å; L460-E464 PolarHBondContact O-N 3.45Å; L460-E464 VanDerWaalsContact O-N 3.09Å |
| 461 | T | 83.2 | Confident | 82.3 | Confident | 69 Ų | 69 | 119.4 Ų | 119.4 | 42% | 0.423 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -28.8 | 178.2 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | E457 Q458 N465 | E457-T461 WeakPolarHBondContact O-CG2 3.16Å; E457-T461 PolarHBondContact O-N 2.88Å; E457-T461 PolarHBondContact O-OG1 2.75Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.44Å; Q458-T461 PolarHBondContact O-OG1 3.18Å; T461-N465 PolarHBondContact O-ND2 3.04Å |
| 462 | L | 81.1 | Confident | 81.9 | Confident | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.6 | -25.2 | 173 | -75.9 | 170.8 | 0 | 0 | 0 | 113.5 | Q458 R459 L460 | Q458-L462 WeakPolarHBondContact O-CG 3.15Å; Q458-L462 PolarHBondContact O-N 3.39Å; R459-L462 PolarHBondContact O-N 3.01Å; L460-L462 VanDerWaalsContact C-N 3.29Å; L460-L462 PolarHBondContact O-N 3.42Å |
| 463 | L | 78.1 | Confident | 81.3 | Confident | 127 Ų | 127 | 122.1 Ų | 122.1 | 67% | 0.665 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -82.2 | -32 | 176.8 | -75.1 | 168.7 | 0 | 0 | 0 | 112.2 | R459 L460 N465 | R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.14Å; L460-L463 PolarHBondContact O-N 3.21Å; L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 PolarHBondContact O-N 3.15Å |
| 464 | E | 75.1 | Confident | 80.6 | Confident | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -17.8 | 176 | -69.8 | 177.1 | 164.9 | 0 | 0 | 113.4 | L460 | L460-E464 PolarHBondContact O-N 3.45Å; L460-E464 VanDerWaalsContact O-N 3.09Å |
| 465 | N | 65.6 | Low | 80 | Confident | 139 Ų | 139 | 131.4 Ų | 131.4 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 11.8 | 178.7 | -72.9 | -51.9 | 0 | 0 | 0 | 114 | T461 L463 | T461-N465 PolarHBondContact O-ND2 3.04Å; L463-N465 VanDerWaalsContact C-N 3.27Å; L463-N465 PolarHBondContact O-N 3.15Å |
| 466 | K | 56.1 | Low | 79.2 | Confident | 236 Ų | 236 | 134.6 Ų | 134.6 | 100% | 1.026 | 65% | 0.65 | S | S | * | * | trans | -116.3 | 0 | 171.2 | -79.4 | -175.5 | 176.4 | -178.8 | 0 | 109.9 |
Retrieved 466 of 466 residues in 232.9 ms
(Link to these results)