| 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 | 54.8 | Low | 85.6 | Confident | 241 Ų | 241 | 87.8 Ų | 87.8 | 100% | 1.187 | 43% | 0.429 | S | S | * | . | 0 | 138.3 | 0 | -83.6 | 172.1 | -168.8 | 0 | 0 | 108 | |||||
| 2 | E | 75.9 | Confident | 86.5 | Confident | 185 Ų | 185 | 90 Ų | 90 | 86% | 0.864 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 139.2 | 174.4 | -164.5 | 170.3 | 179.1 | 0 | 0 | 109.7 | P4 | E2-P4 WeakPolarHBondContact O-CD 3.45Š|
| 3 | V | 80.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 96.7 Ų | 96.7 | 29% | 0.285 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 121.9 | 178.6 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | R279 | V3-R279 HydrophobicContact CG1-CG 3.65Å; V3-R279 VanDerWaalsContact CG1-NE 3.3Å |
| 4 | P | 83.4 | Confident | 88.1 | Confident | 22 Ų | 22 | 92.1 Ų | 92.1 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -58 | 152.7 | -173.6 | -25.7 | 34.1 | 0 | 0 | 0 | 113.4 | E2 D8 F9 S277 R279 V347 | E2-P4 WeakPolarHBondContact O-CD 3.45Å; P4-D8 HydrophobicContact CB-CB 4.2Å; P4-F9 HydrophobicContact CB-CE2 4.12Å; P4-F9 HydrophobicContact CB-CZ 4.46Å; P4-S277 WeakPolarHBondContact CD-O 3.45Å; P4-R279 PolarHBondContact O-NE 3.15Å; P4-R279 PolarHBondContact O-NH2 3.39Å; P4-V347 HydrophobicContact CB-CG1 3.73Å; P4-V347 HydrophobicContact CB-CG2 4.48Å; P4-V347 HydrophobicContact CG-CG1 3.66Å; P4-V347 HydrophobicContact CG-CG2 4.22Å |
| 5 | N | 88.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 156.9 | 171.8 | -160.7 | -58 | 0 | 0 | 0 | 110.2 | K7 D8 F9 | N5-K7 PolarHBondContact O-N 3.19Å; N5-K7 VanDerWaalsContact O-N 3.15Å; N5-K7 PolarHBondContact OD1-N 3.44Å; N5-D8 WeakPolarHBondContact CA-OD2 3.34Å; N5-D8 WeakPolarHBondContact CB-OD2 3.28Å; N5-D8 PolarHBondContact N-OD2 2.85Å; N5-D8 WeakPolarHBondContact O-CB 3.43Å; N5-D8 PolarHBondContact O-N 3.06Å; N5-F9 VanDerWaalsContact O-CD2 3.28Å; N5-F9 WeakPolarHBondContact O-CD2 3.37Å |
| 6 | V | 88.7 | Confident | 89.3 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -59.4 | -25 | 175.7 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | D8 F9 E307 L309 | V6-D8 PolarHBondContact O-N 2.74Å; V6-F9 PolarHBondContact O-N 2.74Å; V6-E307 HydrophobicContact CG1-CB 3.41Å; V6-E307 VanDerWaalsContact CG1-CB 3.41Å; V6-E307 HydrophobicContact CG1-CG 4.32Å; V6-L309 HydrophobicContact CB-CD2 3.92Å; V6-L309 HydrophobicContact CG1-CD2 3.8Å |
| 7 | K | 89.7 | Confident | 89.8 | Confident | 172 Ų | 172 | 81.8 Ų | 81.8 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.8 | 177.7 | -64 | -176.2 | 179.4 | -178.1 | 0 | 113.3 | N5 F9 | N5-K7 PolarHBondContact O-N 3.19Å; N5-K7 VanDerWaalsContact O-N 3.15Å; N5-K7 PolarHBondContact OD1-N 3.44Å; K7-F9 VanDerWaalsContact C-N 3.27Å |
| 8 | D | 91.9 | Very high | 90.2 | Very high | 48 Ų | 48 | 81.6 Ų | 81.6 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -83.9 | -11.2 | -178 | -46.8 | -29.8 | 0 | 0 | 0 | 111 | P4 N5 V6 V347 S348 | P4-D8 HydrophobicContact CB-CB 4.2Å; N5-D8 WeakPolarHBondContact CA-OD2 3.34Å; N5-D8 WeakPolarHBondContact CB-OD2 3.28Å; N5-D8 PolarHBondContact N-OD2 2.85Å; N5-D8 WeakPolarHBondContact O-CB 3.43Å; N5-D8 PolarHBondContact O-N 3.06Å; V6-D8 PolarHBondContact O-N 2.74Å; D8-V347 HydrophobicContact CB-CG1 4.06Å; D8-V347 CarbonylContact O-C 3.57Å; D8-V347 WeakPolarHBondContact O-CA 3.27Å; D8-S348 PolarHBondContact O-N 3.38Å; D8-S348 PolarHBondContact O-OG 3.16Å |
| 9 | F | 94.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 0% | 0.004 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.9 | 176.3 | -71.8 | -89.8 | 0 | 0 | 0 | 110.5 | P4 N5 V6 K7 L276 I281 L309 P310 L345 C346 V347 | P4-F9 HydrophobicContact CB-CE2 4.12Å; P4-F9 HydrophobicContact CB-CZ 4.46Å; N5-F9 VanDerWaalsContact O-CD2 3.28Å; N5-F9 WeakPolarHBondContact O-CD2 3.37Å; V6-F9 PolarHBondContact O-N 2.74Å; K7-F9 VanDerWaalsContact C-N 3.27Å; F9-L276 HydrophobicContact CD1-CD2 4.31Å; F9-L276 HydrophobicContact CE1-CD2 3.88Å; F9-L276 HydrophobicContact CE1-CG 4.18Å; F9-I281 HydrophobicContact CD1-CD1 4.05Å; F9-I281 HydrophobicContact CE1-CD1 3.56Å; F9-I281 HydrophobicContact CZ-CD1 4.35Å; F9-L309 HydrophobicContact CB-CD2 3.92Å; F9-L309 HydrophobicContact CD1-CD1 4.5Å; F9-L309 HydrophobicContact CD2-CD2 3.72Å; F9-L309 HydrophobicContact CE2-CD2 4.42Å; F9-L309 HydrophobicContact CG-CD1 4.48Å; F9-L309 HydrophobicContact CG-CD2 3.79Å; F9-P310 WeakPolarHBondContact O-CG 3.19Å; F9-L345 HydrophobicContact CB-CD1 4.02Å; F9-L345 HydrophobicContact CD1-CD1 4.41Å; F9-L345 HydrophobicContact CD1-CD2 4.08Å; F9-L345 HydrophobicContact CD1-CG 4.09Å; F9-C346 WeakPolarHBondContact CA-O 3.42Å; F9-V347 HydrophobicContact CD1-CG2 3.88Å; F9-V347 HydrophobicContact CE1-CG2 3.4Å; F9-V347 VanDerWaalsContact CE1-CG2 3.4Å; F9-V347 HydrophobicContact CE2-CG2 4.37Å; F9-V347 HydrophobicContact CZ-CG2 3.68Å |
| 10 | Q | 95.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 81.7 Ų | 81.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 139.6 | 177.9 | -62.2 | -173.2 | -8.4 | 0 | 0 | 110.9 | C346 | Q10-C346 PolarHBondContact N-O 3.18Å; Q10-C346 PolarHBondContact O-N 3.31Å |
| 11 | W | 97.2 | Very high | 90.9 | Very high | 35 Ų | 35 | 77.8 Ų | 77.8 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.3 | 170.9 | -72.3 | 101.6 | 0 | 0 | 0 | 110.3 | A283 A296 P310 A311 M312 P313 E343 A344 L345 | W11-A283 HydrophobicContact CH2-CB 3.87Å; W11-A283 HydrophobicContact CZ2-CB 3.71Å; W11-A296 HydrophobicContact CZ2-CB 4.17Å; W11-P310 PolarHBondContact NE1-O 3.48Å; W11-A311 PolarHBondContact NE1-O 3.39Å; W11-M312 HydrophobicContact CH2-CB 4.43Å; W11-M312 HydrophobicContact CH2-CE 3.54Å; W11-M312 HydrophobicContact CH2-CG 4.32Å; W11-M312 HydrophobicContact CZ2-CB 4Å; W11-M312 HydrophobicContact CZ2-CE 4.2Å; W11-M312 HydrophobicContact CZ2-CG 4.38Å; W11-M312 HydrophobicContact CZ3-CE 4.09Å; W11-P313 HydrophobicContact CB-CG 3.64Å; W11-P313 HydrophobicContact CG-CG 4.12Å; W11-E343 HydrophobicContact CE3-CB 3.9Å; W11-E343 HydrophobicContact CZ3-CB 4.1Å; W11-A344 CarbonylContact C-O 3.56Å; W11-A344 WeakPolarHBondContact CA-O 3.48Å; W11-L345 HydrophobicContact CD2-CB 3.98Å; W11-L345 HydrophobicContact CD2-CD1 3.93Å; W11-L345 HydrophobicContact CE3-CB 3.83Å; W11-L345 HydrophobicContact CG-CD1 4.04Å; W11-L345 HydrophobicContact CH2-CB 3.81Å; W11-L345 HydrophobicContact CZ2-CB 3.96Å; W11-L345 HydrophobicContact CZ2-CD1 4.27Å; W11-L345 HydrophobicContact CZ2-CD2 4.33Å; W11-L345 HydrophobicContact CZ2-CG 4.42Å; W11-L345 HydrophobicContact CZ3-CB 3.75Å |
| 12 | K | 96.3 | Very high | 92.9 | Very high | 114 Ų | 114 | 67 Ų | 67 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.1 | 169.5 | -62 | -179.1 | -178.6 | 178.2 | 0 | 108.2 | L14 E343 A344 | K12-L14 HydrophobicContact CB-CD2 4.29Å; K12-E343 CarbonylContact O-C 3.49Å; K12-E343 VanDerWaalsContact O-CA 3.3Å; K12-E343 WeakPolarHBondContact O-CA 3.46Å; K12-A344 PolarHBondContact N-O 3.1Å; K12-A344 PolarHBondContact O-N 3.26Å |
| 13 | R | 97.4 | Very high | 93.7 | Very high | 177 Ų | 177 | 65.3 Ų | 65.3 | 67% | 0.668 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.7 | 164 | -70.2 | -176 | 177 | -177.9 | 0.5 | 107.1 | P313 E343 | R13-P313 HydrophobicContact CG-CB 4.46Å; R13-E343 HydrophobicContact CG-CG 4.35Å |
| 14 | L | 97.5 | Very high | 94.5 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | trans | -107.6 | 175.2 | 179.1 | -59.1 | 179.1 | 0 | 0 | 0 | 109.1 | K12 Y52 D57 L329 V342 A344 | K12-L14 HydrophobicContact CB-CD2 4.29Å; L14-Y52 HydrophobicContact CD1-CE1 4.15Å; L14-Y52 WeakPolarHBondContact CD1-OH 3.3Å; L14-D57 WeakPolarHBondContact CA-OD1 3.47Å; L14-D57 WeakPolarHBondContact CB-OD1 3.14Å; L14-L329 HydrophobicContact CD1-CD2 4.47Å; L14-L329 HydrophobicContact CD1-CG 4.34Å; L14-V342 HydrophobicContact CB-CB 4.21Å; L14-V342 HydrophobicContact CB-CG1 3.95Å; L14-V342 HydrophobicContact CD1-CG1 4.08Å; L14-V342 PolarHBondContact N-O 3.15Å; L14-A344 HydrophobicContact CD1-CB 3.54Å; L14-A344 HydrophobicContact CG-CB 4.14Å | ||
| 15 | A | 98.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -52 | 130.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y52 D57 W59 V342 | A15-Y52 HydrophobicContact CB-CE2 4.37Å; A15-D57 WeakPolarHBondContact CB-O 3.31Å; A15-D57 PolarHBondContact N-OD1 2.79Å; A15-W59 PolarHBondContact O-NE1 2.96Å; A15-V342 WeakPolarHBondContact O-CB 3.39Å; A15-V342 WeakPolarHBondContact O-CG2 3.37Å |
| 16 | P | 97.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 148.9 | -176.8 | 28.6 | -34.9 | 0 | 0 | 0 | 110.6 | P18 D340 | P16-P18 WeakPolarHBondContact O-CD 3.49Å; P16-D340 CarbonylContact C-O 3.49Å; P16-D340 WeakPolarHBondContact CA-O 3.38Å; P16-D340 HydrophobicContact CB-CB 4.19Å |
| 17 | L | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 118.9 | 175.2 | -172.8 | 68.2 | 0 | 0 | 0 | 108.8 | S19 R21 A35 E50 W59 V331 D340 V342 | L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 WeakPolarHBondContact CD2-O 3.49Å; L17-S19 PolarHBondContact O-N 2.71Å; L17-R21 HydrophobicContact CD2-CG 3.97Å; L17-R21 VanDerWaalsContact CG-NH1 3.27Å; L17-A35 HydrophobicContact CD1-CB 4.13Å; L17-E50 WeakPolarHBondContact CD1-OE2 3.37Å; L17-W59 HydrophobicContact CD1-CD2 4.26Å; L17-W59 HydrophobicContact CD1-CE3 4.18Å; L17-W59 HydrophobicContact CD1-CH2 3.68Å; L17-W59 HydrophobicContact CD1-CZ2 3.75Å; L17-W59 HydrophobicContact CD1-CZ3 3.91Å; L17-V331 HydrophobicContact CD1-CG1 4Å; L17-V331 HydrophobicContact CD2-CG1 4.08Å; L17-V331 HydrophobicContact CG-CG1 4.48Å; L17-D340 HydrophobicContact CB-CB 4.37Å; L17-D340 PolarHBondContact N-O 2.95Å; L17-D340 VanDerWaalsContact O-CB 3.26Å; L17-D340 WeakPolarHBondContact O-CB 3.47Å; L17-V342 HydrophobicContact CB-CG2 3.99Å |
| 18 | P | 96.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -59.9 | -41.8 | -172 | -24.6 | 31.5 | 0 | 0 | 0 | 113.2 | P16 E50 W59 | P16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-E50 WeakPolarHBondContact CB-OE1 3.22Å; P18-E50 WeakPolarHBondContact CD-OE2 3.31Å; P18-W59 HydrophobicContact CG-CB 3.48Å; P18-W59 VanDerWaalsContact CG-CB 3.48Å; P18-W59 HydrophobicContact CG-CG 4Å |
| 19 | S | 95.5 | Very high | 96.5 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -104 | 108.3 | 176.2 | -48.5 | 0 | 0 | 0 | 0 | 110.5 | L17 R21 C48 E50 | L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 WeakPolarHBondContact CD2-O 3.49Å; L17-S19 PolarHBondContact O-N 2.71Å; S19-R21 WeakPolarHBondContact O-CG 3.42Å; S19-R21 PolarHBondContact O-N 3.34Å; S19-R21 PolarHBondContact O-NH1 3.29Å; S19-C48 VanDerWaalsContact CB-SG 3.58Å; S19-C48 PolarHBondContact OG-SG 3.36Å; S19-E50 WeakPolarHBondContact CB-OE1 3.33Å; S19-E50 PolarHBondContact N-OE1 2.82Å; S19-E50 PolarHBondContact OG-OE1 2.87Å |
| 20 | R | 95.2 | Very high | 96.5 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 49% | 0.494 | 30% | 0.296 | S | S | . | . | trans | -58.7 | 123 | 175.3 | -69.6 | -178.5 | -154.5 | 157.4 | 13.1 | 110.6 | L338 D340 | R20-L338 HydrophobicContact CB-CB 4.18Å; R20-D340 HydrophobicContact CG-CB 3.66Å; R20-D340 IonicContact CZ-OD2 3.32Å; R20-D340 IonicContact NE-OD2 3.21Å; R20-D340 PolarHBondContact NE-OD2 3.09Å; R20-D340 IonicContact NH2-OD2 2.75Å | ||
| 21 | R | 95.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | trans | -158.9 | 159.1 | -176.9 | 62.7 | -163.7 | -174.9 | -91.7 | 13.6 | 114 | L17 S19 C24 A35 G37 C39 M46 E50 | L17-R21 HydrophobicContact CD2-CG 3.97Å; L17-R21 VanDerWaalsContact CG-NH1 3.27Å; S19-R21 WeakPolarHBondContact O-CG 3.42Å; S19-R21 PolarHBondContact O-N 3.34Å; S19-R21 PolarHBondContact O-NH1 3.29Å; R21-C24 HydrophobicContact CG-CB 3.97Å; R21-A35 PolarHBondContact NH2-O 3.36Å; R21-G37 WeakPolarHBondContact CD-O 3.41Å; R21-G37 PolarHBondContact NE-O 3.33Å; R21-G37 VanDerWaalsContact NE-O 3.07Å; R21-C39 WeakPolarHBondContact CA-O 3.43Å; R21-C39 VanDerWaalsContact CB-O 3.32Å; R21-C39 WeakPolarHBondContact CB-O 3.43Å; R21-M46 HydrophobicContact CB-SD 3.99Å; R21-E50 IonicContact CZ-OE2 3.7Å; R21-E50 IonicContact NH1-OE1 3.58Å; R21-E50 IonicContact NH1-OE2 2.93Å; R21-E50 PolarHBondContact NH1-OE2 2.88Å; R21-E50 IonicContact NH2-OE2 3.7Å; R21-E50 PolarHBondContact NH2-OE2 2.97Å | ||
| 22 | V | 95.4 | Very high | 96.3 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 159.8 | 174.4 | 39.8 | 0 | 0 | 0 | 0 | 109.2 | C24 G38 C39 A318 V334 L338 | V22-C24 PolarHBondContact O-N 3.3Å; V22-C24 VanDerWaalsContact O-N 3.08Å; V22-G38 CarbonylContact O-C 3.57Å; V22-G38 WeakPolarHBondContact O-CA 3.05Å; V22-C39 HydrophobicContact CG1-CB 4.36Å; V22-C39 PolarHBondContact N-O 3.26Å; V22-C39 PolarHBondContact O-N 3.48Å; V22-A318 HydrophobicContact CG2-CB 4.39Å; V22-V334 HydrophobicContact CB-CG2 4.4Å; V22-V334 HydrophobicContact CG2-CG2 4.41Å; V22-L338 HydrophobicContact CB-CD2 3.91Å; V22-L338 HydrophobicContact CG1-CD1 3.88Å; V22-L338 HydrophobicContact CG1-CD2 3.32Å; V22-L338 HydrophobicContact CG1-CG 4.25Å |
| 23 | Y | 94.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 50.1 Ų | 50.1 | 58% | 0.584 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 59.2 | 20.1 | -177.2 | -50.6 | -48.5 | 0 | 0 | 0 | 114.3 | G71 | Y23-G71 PolarHBondContact O-N 3.04Š|
| 24 | C | 96.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -73 | 146.8 | 167.4 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | R21 V22 I36 G37 S320 | R21-C24 HydrophobicContact CG-CB 3.97Å; V22-C24 PolarHBondContact O-N 3.3Å; V22-C24 VanDerWaalsContact O-N 3.08Å; C24-I36 WeakPolarHBondContact CA-O 3.45Å; C24-G37 WeakPolarHBondContact CB-O 3.47Å; C24-S320 PolarHBondContact O-OG 2.88Å |
| 25 | S | 97.5 | Very high | 96.5 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 140.5 | 173.3 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | I36 V72 | S25-I36 PolarHBondContact N-O 2.93Å; S25-I36 PolarHBondContact O-N 2.88Å; S25-V72 WeakPolarHBondContact OG-CG2 3.31Å; S25-V72 PolarHBondContact OG-O 2.89Å |
| 26 | L | 97.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.4 | 172 | -61.6 | 176.8 | 0 | 0 | 0 | 109.9 | V33 Y34 A35 I322 V331 | L26-V33 HydrophobicContact CD2-CG1 4.12Å; L26-Y34 VanDerWaalsContact CA-O 3.3Å; L26-Y34 WeakPolarHBondContact CA-O 2.97Å; L26-A35 HydrophobicContact CD2-CB 3.75Å; L26-I322 HydrophobicContact CB-CB 4.21Å; L26-I322 HydrophobicContact CB-CD1 4.21Å; L26-I322 HydrophobicContact CB-CG2 4.26Å; L26-I322 HydrophobicContact CD1-CB 4.12Å; L26-I322 HydrophobicContact CD1-CG2 3.76Å; L26-V331 HydrophobicContact CD1-CB 3.91Å; L26-V331 HydrophobicContact CD1-CG2 3.59Å; L26-V331 HydrophobicContact CD2-CB 4.23Å; L26-V331 HydrophobicContact CD2-CG1 4.23Å; L26-V331 HydrophobicContact CD2-CG2 4.13Å |
| 27 | L | 97.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 129.9 | 173.8 | -180 | 67 | 0 | 0 | 0 | 109 | Y34 I36 V74 A76 I81 | L27-Y34 PolarHBondContact N-O 3.46Å; L27-Y34 PolarHBondContact O-N 2.85Å; L27-I36 HydrophobicContact CB-CD1 4.22Å; L27-V74 HydrophobicContact CB-CG2 4.09Å; L27-A76 HydrophobicContact CD1-CB 4.21Å; L27-A76 HydrophobicContact CD2-CB 4.05Å; L27-A76 HydrophobicContact CG-CB 4.39Å; L27-I81 HydrophobicContact CD2-CB 4.14Å; L27-I81 HydrophobicContact CD2-CD1 4.24Å; L27-I81 HydrophobicContact CD2-CG1 3.78Å; L27-I81 HydrophobicContact CD2-CG2 3.55Å |
| 28 | E | 96.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 35.7 Ų | 35.7 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.7 | 169.3 | -172.9 | -76.8 | 135.5 | 0 | 0 | 108.5 | G31 Q32 I322 V324 | E28-G31 VanDerWaalsContact OE1-CA 3.31Å; E28-G31 WeakPolarHBondContact OE1-CA 3.44Å; E28-G31 PolarHBondContact OE1-N 3.42Å; E28-Q32 WeakPolarHBondContact CA-O 3.17Å; E28-I322 HydrophobicContact CB-CD1 3.62Å; E28-I322 HydrophobicContact CB-CG1 4.4Å; E28-I322 VanDerWaalsContact N-CD1 3.26Å; E28-V324 HydrophobicContact CB-CG2 4.01Å; E28-V324 HydrophobicContact CG-CG1 4.26Å; E28-V324 HydrophobicContact CG-CG2 3.69Å |
| 29 | T | 95.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 14% | 0.135 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 138.3 | 166.9 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | G31 Q32 Y34 A76 G78 I81 I102 | T29-G31 PolarHBondContact O-N 2.83Å; T29-Q32 PolarHBondContact N-O 2.96Å; T29-Q32 VanDerWaalsContact N-O 3.12Å; T29-Q32 PolarHBondContact O-N 2.94Å; T29-Y34 HydrophobicContact CG2-CD2 3.95Å; T29-Y34 HydrophobicContact CG2-CE2 3.54Å; T29-A76 HydrophobicContact CG2-CB 4.3Å; T29-G78 PolarHBondContact OG1-O 2.91Å; T29-I81 HydrophobicContact CG2-CD1 4.05Å; T29-I81 HydrophobicContact CG2-CG1 4.1Å; T29-I102 HydrophobicContact CG2-CD1 3.73Å |
| 30 | G | 93.3 | Very high | 96.6 | Very high | 73 Ų | 73 | 32.8 Ų | 32.8 | 75% | 0.753 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 27.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q32 | G30-Q32 PolarHBondContact O-N 3.44Š|
| 31 | G | 93.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 31.3 Ų | 31.3 | 22% | 0.216 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 10 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E28 T29 P54 | E28-G31 VanDerWaalsContact OE1-CA 3.31Å; E28-G31 WeakPolarHBondContact OE1-CA 3.44Å; E28-G31 PolarHBondContact OE1-N 3.42Å; T29-G31 PolarHBondContact O-N 2.83Å; G31-P54 WeakPolarHBondContact O-CD 3.36Å |
| 32 | Q | 96.2 | Very high | 96.5 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 152.5 | 179.8 | -61.7 | -176.7 | 44.6 | 0 | 0 | 110.7 | E28 T29 G30 Y34 V51 | E28-Q32 WeakPolarHBondContact CA-O 3.17Å; T29-Q32 PolarHBondContact N-O 2.96Å; T29-Q32 VanDerWaalsContact N-O 3.12Å; T29-Q32 PolarHBondContact O-N 2.94Å; G30-Q32 PolarHBondContact O-N 3.44Å; Q32-Y34 HydrophobicContact CB-CE2 3.97Å; Q32-V51 HydrophobicContact CB-CG2 3.73Å; Q32-V51 HydrophobicContact CG-CG2 4.43Å |
| 33 | V | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.5 | 178.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | L26 V51 Y52 I322 V324 L329 | L26-V33 HydrophobicContact CD2-CG1 4.12Å; V33-V51 CarbonylContact O-C 3.57Å; V33-V51 WeakPolarHBondContact O-CA 3.49Å; V33-Y52 HydrophobicContact CB-CD1 4.45Å; V33-Y52 PolarHBondContact N-O 3.22Å; V33-Y52 PolarHBondContact O-N 2.9Å; V33-I322 HydrophobicContact CG1-CG2 4.09Å; V33-I322 HydrophobicContact CG2-CG2 4.36Å; V33-V324 HydrophobicContact CG2-CB 4.35Å; V33-V324 HydrophobicContact CG2-CG1 4.42Å; V33-V324 HydrophobicContact CG2-CG2 3.46Å; V33-V324 VanDerWaalsContact CG2-CG2 3.46Å; V33-L329 HydrophobicContact CG2-CD2 4.25Å |
| 34 | Y | 98.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.5 | 177.7 | -64.2 | -99 | 0 | 0 | 0 | 109.7 | L26 L27 T29 Q32 F49 E50 V51 L62 I81 I102 | L26-Y34 VanDerWaalsContact CA-O 3.3Å; L26-Y34 WeakPolarHBondContact CA-O 2.97Å; L27-Y34 PolarHBondContact N-O 3.46Å; L27-Y34 PolarHBondContact O-N 2.85Å; T29-Y34 HydrophobicContact CG2-CD2 3.95Å; T29-Y34 HydrophobicContact CG2-CE2 3.54Å; Q32-Y34 HydrophobicContact CB-CE2 3.97Å; Y34-F49 HydrophobicContact CD1-CE1 4.49Å; Y34-F49 AromaticContact CD1-CE2 3.59Å; Y34-F49 HydrophobicContact CD1-CE2 3.59Å; Y34-F49 AromaticContact CD1-CZ 3.5Å; Y34-F49 HydrophobicContact CD1-CZ 3.5Å; Y34-F49 VanDerWaalsContact CD1-CZ 3.5Å; Y34-F49 AromaticContact CE1-CZ 4Å; Y34-F49 HydrophobicContact CE1-CZ 4Å; Y34-F49 HydrophobicContact CG-CE2 4.25Å; Y34-F49 HydrophobicContact CG-CZ 4.47Å; Y34-E50 CarbonylContact C-O 3.46Å; Y34-E50 WeakPolarHBondContact CA-O 3.43Å; Y34-V51 HydrophobicContact CD1-CB 3.86Å; Y34-V51 HydrophobicContact CD1-CG2 3.82Å; Y34-V51 HydrophobicContact CD2-CG2 4.19Å; Y34-V51 HydrophobicContact CE1-CB 3.85Å; Y34-V51 HydrophobicContact CE1-CG2 3.61Å; Y34-V51 HydrophobicContact CE2-CG2 3.96Å; Y34-V51 HydrophobicContact CG-CB 4.49Å; Y34-V51 HydrophobicContact CG-CG2 4.12Å; Y34-L62 HydrophobicContact CD1-CD1 3.94Å; Y34-L62 HydrophobicContact CE1-CD1 3.65Å; Y34-I81 HydrophobicContact CD1-CD1 3.48Å; Y34-I81 VanDerWaalsContact CD1-CD1 3.48Å; Y34-I81 HydrophobicContact CD2-CD1 3.64Å; Y34-I81 HydrophobicContact CE1-CD1 3.6Å; Y34-I81 HydrophobicContact CE2-CD1 3.81Å; Y34-I81 HydrophobicContact CG-CD1 3.48Å; Y34-I81 VanDerWaalsContact CG-CD1 3.48Å; Y34-I102 HydrophobicContact CE2-CD1 4.45Å |
| 35 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 114.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L17 R21 L26 E50 W59 | L17-A35 HydrophobicContact CD1-CB 4.13Å; R21-A35 PolarHBondContact NH2-O 3.36Å; L26-A35 HydrophobicContact CD2-CB 3.75Å; A35-E50 PolarHBondContact N-O 3.11Å; A35-E50 PolarHBondContact O-N 2.81Å; A35-W59 HydrophobicContact CB-CH2 3.84Å; A35-W59 HydrophobicContact CB-CZ3 3.66Å |
| 36 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.3 | -160 | -54.5 | 167.3 | 0 | 0 | 0 | 110.4 | C24 S25 L27 F49 L65 V72 V74 I81 V83 | C24-I36 WeakPolarHBondContact CA-O 3.45Å; S25-I36 PolarHBondContact N-O 2.93Å; S25-I36 PolarHBondContact O-N 2.88Å; L27-I36 HydrophobicContact CB-CD1 4.22Å; I36-F49 HydrophobicContact CB-CD2 4.5Å; I36-F49 HydrophobicContact CD1-CE2 4.25Å; I36-F49 HydrophobicContact CG1-CD2 3.8Å; I36-F49 HydrophobicContact CG1-CE2 3.75Å; I36-L65 HydrophobicContact CG2-CD1 4.06Å; I36-L65 HydrophobicContact CG2-CD2 3.96Å; I36-L65 HydrophobicContact CG2-CG 4.42Å; I36-V72 HydrophobicContact CG2-CG2 4.2Å; I36-V74 HydrophobicContact CB-CG1 4.36Å; I36-V74 HydrophobicContact CD1-CB 4.05Å; I36-V74 HydrophobicContact CD1-CG1 3.75Å; I36-V74 HydrophobicContact CD1-CG2 4.39Å; I36-V74 HydrophobicContact CG2-CG1 4.23Å; I36-I81 HydrophobicContact CD1-CG2 3.84Å; I36-V83 HydrophobicContact CG2-CG1 4.25Å; I36-V83 HydrophobicContact CG2-CG2 3.82Å |
| 37 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 59.1 | -152 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R21 C24 C48 R69 | R21-G37 WeakPolarHBondContact CD-O 3.41Å; R21-G37 PolarHBondContact NE-O 3.33Å; R21-G37 VanDerWaalsContact NE-O 3.07Å; C24-G37 WeakPolarHBondContact CB-O 3.47Å; G37-C48 PolarHBondContact N-O 3.25Å; G37-R69 WeakPolarHBondContact CA-O 3.42Å | ||
| 38 | G | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 119.1 | -172.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V22 P45 M46 R69 | V22-G38 CarbonylContact O-C 3.57Å; V22-G38 WeakPolarHBondContact O-CA 3.05Å; G38-P45 CarbonylContact O-C 3.49Å; G38-P45 VanDerWaalsContact O-CA 3.3Å; G38-P45 WeakPolarHBondContact O-CA 3.09Å; G38-M46 PolarHBondContact O-N 3.37Å; G38-R69 PolarHBondContact N-O 3.15Å; G38-R69 VanDerWaalsContact N-O 3.12Å | ||
| 39 | C | 97 | Very high | 96.8 | Very high | 11 Ų | 11 | 34 Ų | 34 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -120.7 | 143.6 | 177.9 | -70.8 | 0 | 0 | 0 | 0 | 110.7 | R21 V22 V44 A70 | R21-C39 WeakPolarHBondContact CA-O 3.43Å; R21-C39 VanDerWaalsContact CB-O 3.32Å; R21-C39 WeakPolarHBondContact CB-O 3.43Å; V22-C39 HydrophobicContact CG1-CB 4.36Å; V22-C39 PolarHBondContact N-O 3.26Å; V22-C39 PolarHBondContact O-N 3.48Å; C39-V44 WeakPolarHBondContact CA-O 3.28Å; C39-A70 WeakPolarHBondContact SG-CB 3.32Å |
| 40 | D | 96 | Very high | 96.9 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.214 | 21% | 0.208 | C | C | . | . | trans | -77.4 | -175.8 | 171.2 | 73.8 | 0.3 | 0 | 0 | 0 | 112.5 | N42 G43 V44 M46 | D40-N42 PolarHBondContact O-N 2.81Å; D40-N42 VanDerWaalsContact O-N 3.17Å; D40-N42 WeakPolarHBondContact OD1-CA 3.37Å; D40-N42 WeakPolarHBondContact OD1-CB 3.07Å; D40-N42 PolarHBondContact OD1-N 2.68Å; D40-G43 PolarHBondContact O-N 2.77Å; D40-G43 PolarHBondContact OD1-N 3.2Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; D40-V44 PolarHBondContact N-O 3.44Å; D40-V44 VanDerWaalsContact N-O 3.09Å; D40-V44 WeakPolarHBondContact OD1-CB 3.29Å; D40-V44 PolarHBondContact OD1-N 3.4Å; D40-M46 HydrophobicContact CB-CE 4.2Å; D40-M46 HydrophobicContact CB-CG 4.22Å; D40-M46 HydrophobicContact CB-SD 3.84Å | ||
| 41 | D | 93.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.6 | 179.1 | -71.7 | -58.9 | 0 | 0 | 0 | 113.2 | G43 L338 | D41-G43 VanDerWaalsContact C-N 3.33Å; D41-L338 HydrophobicContact CB-CD1 4.47Å; D41-L338 VanDerWaalsContact OD1-CB 3.23Å; D41-L338 WeakPolarHBondContact OD1-CB 3.38Å; D41-L338 WeakPolarHBondContact OD1-CG 3.36Å; D41-L338 PolarHBondContact OD1-N 3.09Å |
| 42 | N | 94.3 | Very high | 97.4 | Very high | 136 Ų | 136 | 29.4 Ų | 29.4 | 73% | 0.727 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.2 | 177.8 | -59.8 | -56.8 | 0 | 0 | 0 | 112.5 | D40 V44 | D40-N42 PolarHBondContact O-N 2.81Å; D40-N42 VanDerWaalsContact O-N 3.17Å; D40-N42 WeakPolarHBondContact OD1-CA 3.37Å; D40-N42 WeakPolarHBondContact OD1-CB 3.07Å; D40-N42 PolarHBondContact OD1-N 2.68Å; N42-V44 HydrophobicContact CB-CG2 4.03Å; N42-V44 PolarHBondContact O-N 2.69Å |
| 43 | G | 94.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | trans | 73.2 | 14.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | D40 D41 P45 Q91 | D40-G43 PolarHBondContact O-N 2.77Å; D40-G43 PolarHBondContact OD1-N 3.2Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; D41-G43 VanDerWaalsContact C-N 3.33Å; G43-P45 WeakPolarHBondContact O-CD 3.28Å; G43-Q91 PolarHBondContact O-NE2 3.12Å; G43-Q91 VanDerWaalsContact O-NE2 3.09Å | ||
| 44 | V | 97.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 29.6 Ų | 29.6 | 41% | 0.406 | 17% | 0.173 | S | C | . | . | trans | -81.2 | 121.9 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | C39 D40 N42 | C39-V44 WeakPolarHBondContact CA-O 3.28Å; D40-V44 PolarHBondContact N-O 3.44Å; D40-V44 VanDerWaalsContact N-O 3.09Å; D40-V44 WeakPolarHBondContact OD1-CB 3.29Å; D40-V44 PolarHBondContact OD1-N 3.4Å; N42-V44 HydrophobicContact CB-CG2 4.03Å; N42-V44 PolarHBondContact O-N 2.69Å | ||
| 45 | P | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 137.7 | 174.8 | -28 | 37.6 | 0 | 0 | 0 | 112.8 | G38 G43 A70 G88 | G38-P45 CarbonylContact O-C 3.49Å; G38-P45 VanDerWaalsContact O-CA 3.3Å; G38-P45 WeakPolarHBondContact O-CA 3.09Å; G43-P45 WeakPolarHBondContact O-CD 3.28Å; P45-A70 HydrophobicContact CB-CB 4.18Å; P45-A70 HydrophobicContact CG-CB 4.36Å; P45-G88 WeakPolarHBondContact CG-O 3.41Å |
| 46 | M | 98.1 | Very high | 97 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | trans | -110.6 | 159.6 | -173 | -51.7 | 179.1 | 85.5 | 0 | 0 | 111.7 | R21 G38 D40 C48 A68 R69 | R21-M46 HydrophobicContact CB-SD 3.99Å; G38-M46 PolarHBondContact O-N 3.37Å; D40-M46 HydrophobicContact CB-CE 4.2Å; D40-M46 HydrophobicContact CB-CG 4.22Å; D40-M46 HydrophobicContact CB-SD 3.84Å; M46-C48 HydrophobicContact CB-CB 4.49Å; M46-C48 WeakPolarHBondContact CE-SG 3.48Å; M46-A68 WeakPolarHBondContact O-CA 3.41Å; M46-R69 PolarHBondContact O-N 3.36Å | ||
| 47 | D | 98.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | trans | -101.6 | 12.5 | 171.8 | 59.5 | -3.7 | 0 | 0 | 0 | 113.2 | F49 P64 L65 A68 | D47-F49 PolarHBondContact O-N 2.04Å; D47-P64 HydrophobicContact CB-CB 4.13Å; D47-P64 CarbonylContact O-C 3.59Å; D47-P64 WeakPolarHBondContact O-CA 3.44Å; D47-P64 WeakPolarHBondContact O-CB 3.42Å; D47-L65 HydrophobicContact CB-CB 4.16Å; D47-L65 WeakPolarHBondContact CB-O 3.41Å; D47-L65 VanDerWaalsContact O-CD1 3.26Å; D47-L65 WeakPolarHBondContact O-CD1 3.49Å; D47-L65 PolarHBondContact O-N 3.24Å; D47-A68 HydrophobicContact CB-CB 3.88Å | ||
| 48 | C | 98.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | trans | -55.6 | 126.5 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | S19 G37 M46 L65 | S19-C48 VanDerWaalsContact CB-SG 3.58Å; S19-C48 PolarHBondContact OG-SG 3.36Å; G37-C48 PolarHBondContact N-O 3.25Å; M46-C48 HydrophobicContact CB-CB 4.49Å; M46-C48 WeakPolarHBondContact CE-SG 3.48Å; C48-L65 VanDerWaalsContact O-CD1 3.23Å; C48-L65 WeakPolarHBondContact O-CD1 3.21Å | ||
| 49 | F | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 110.4 | 171.5 | -176.6 | -134.9 | 0 | 0 | 0 | 108.6 | Y34 I36 D47 L62 P63 L65 I81 Y100 W107 | Y34-F49 HydrophobicContact CD1-CE1 4.49Å; Y34-F49 AromaticContact CD1-CE2 3.59Å; Y34-F49 HydrophobicContact CD1-CE2 3.59Å; Y34-F49 AromaticContact CD1-CZ 3.5Å; Y34-F49 HydrophobicContact CD1-CZ 3.5Å; Y34-F49 VanDerWaalsContact CD1-CZ 3.5Å; Y34-F49 AromaticContact CE1-CZ 4Å; Y34-F49 HydrophobicContact CE1-CZ 4Å; Y34-F49 HydrophobicContact CG-CE2 4.25Å; Y34-F49 HydrophobicContact CG-CZ 4.47Å; I36-F49 HydrophobicContact CB-CD2 4.5Å; I36-F49 HydrophobicContact CD1-CE2 4.25Å; I36-F49 HydrophobicContact CG1-CD2 3.8Å; I36-F49 HydrophobicContact CG1-CE2 3.75Å; D47-F49 PolarHBondContact O-N 2.04Å; F49-L62 HydrophobicContact CD1-CB 3.42Å; F49-L62 VanDerWaalsContact CD1-CB 3.42Å; F49-L62 HydrophobicContact CD1-CD1 3.86Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CE1-CB 3.82Å; F49-L62 HydrophobicContact CE1-CD1 3.43Å; F49-L62 VanDerWaalsContact CE1-CD1 3.43Å; F49-L62 HydrophobicContact CE1-CG 4.29Å; F49-L62 HydrophobicContact CG-CB 4.18Å; F49-L62 HydrophobicContact CZ-CD1 3.83Å; F49-L62 WeakPolarHBondContact O-CB 3.42Å; F49-L62 PolarHBondContact O-N 3.37Å; F49-P63 WeakPolarHBondContact CD1-O 3.47Å; F49-L65 HydrophobicContact CB-CD1 3.94Å; F49-I81 HydrophobicContact CE2-CD1 4.47Å; F49-I81 HydrophobicContact CZ-CD1 4.09Å; F49-Y100 HydrophobicContact CD1-CD2 4.47Å; F49-Y100 HydrophobicContact CD1-CE2 4.47Å; F49-Y100 AromaticContact CE1-CD1 3.53Å; F49-Y100 HydrophobicContact CE1-CD1 3.53Å; F49-Y100 AromaticContact CE1-CD2 3.75Å; F49-Y100 HydrophobicContact CE1-CD2 3.75Å; F49-Y100 AromaticContact CE1-CE1 3.63Å; F49-Y100 HydrophobicContact CE1-CE1 3.63Å; F49-Y100 AromaticContact CE1-CE2 3.85Å; F49-Y100 HydrophobicContact CE1-CE2 3.85Å; F49-Y100 AromaticContact CE1-CG 3.58Å; F49-Y100 HydrophobicContact CE1-CG 3.58Å; F49-Y100 AromaticContact CE1-CZ 3.77Å; F49-Y100 AromaticContact CZ-CD1 3.71Å; F49-Y100 HydrophobicContact CZ-CD1 3.71Å; F49-Y100 HydrophobicContact CZ-CE1 4.07Å; F49-Y100 AromaticContact CZ-CG 3.98Å; F49-Y100 HydrophobicContact CZ-CG 3.98Å; F49-W107 HydrophobicContact CB-CZ2 4.36Å; F49-W107 AromaticContact CD1-CZ2 3.54Å; F49-W107 HydrophobicContact CD1-CZ2 3.54Å; F49-W107 AromaticContact CD1-NE1 3.96Å; F49-W107 HydrophobicContact CD2-CZ2 4.16Å; F49-W107 AromaticContact CE1-CZ2 3.71Å; F49-W107 HydrophobicContact CE1-CZ2 3.71Å; F49-W107 HydrophobicContact CE2-CZ2 4.3Å; F49-W107 AromaticContact CG-CZ2 3.78Å; F49-W107 HydrophobicContact CG-CZ2 3.78Å; F49-W107 HydrophobicContact CZ-CZ2 4.09Å |
| 50 | E | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.6 | -172.5 | -63.1 | 166.1 | 168 | 0 | 0 | 109 | L17 P18 S19 R21 Y34 A35 W59 T60 | L17-E50 WeakPolarHBondContact CD1-OE2 3.37Å; P18-E50 WeakPolarHBondContact CB-OE1 3.22Å; P18-E50 WeakPolarHBondContact CD-OE2 3.31Å; S19-E50 WeakPolarHBondContact CB-OE1 3.33Å; S19-E50 PolarHBondContact N-OE1 2.82Å; S19-E50 PolarHBondContact OG-OE1 2.87Å; R21-E50 IonicContact CZ-OE2 3.7Å; R21-E50 IonicContact NH1-OE1 3.58Å; R21-E50 IonicContact NH1-OE2 2.93Å; R21-E50 PolarHBondContact NH1-OE2 2.88Å; R21-E50 IonicContact NH2-OE2 3.7Å; R21-E50 PolarHBondContact NH2-OE2 2.97Å; Y34-E50 CarbonylContact C-O 3.46Å; Y34-E50 WeakPolarHBondContact CA-O 3.43Å; A35-E50 PolarHBondContact N-O 3.11Å; A35-E50 PolarHBondContact O-N 2.81Å; E50-W59 HydrophobicContact CB-CE3 3.87Å; E50-W59 HydrophobicContact CB-CZ3 4.25Å; E50-T60 WeakPolarHBondContact CA-O 3.42Å |
| 51 | V | 98.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.2 | 177.1 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | Q32 V33 Y34 W59 T60 L62 | Q32-V51 HydrophobicContact CB-CG2 3.73Å; Q32-V51 HydrophobicContact CG-CG2 4.43Å; V33-V51 CarbonylContact O-C 3.57Å; V33-V51 WeakPolarHBondContact O-CA 3.49Å; Y34-V51 HydrophobicContact CD1-CB 3.86Å; Y34-V51 HydrophobicContact CD1-CG2 3.82Å; Y34-V51 HydrophobicContact CD2-CG2 4.19Å; Y34-V51 HydrophobicContact CE1-CB 3.85Å; Y34-V51 HydrophobicContact CE1-CG2 3.61Å; Y34-V51 HydrophobicContact CE2-CG2 3.96Å; Y34-V51 HydrophobicContact CG-CB 4.49Å; Y34-V51 HydrophobicContact CG-CG2 4.12Å; V51-W59 CarbonylContact O-C 3.43Å; V51-W59 WeakPolarHBondContact O-CA 3.43Å; V51-T60 PolarHBondContact N-O 2.96Å; V51-T60 PolarHBondContact O-N 2.94Å; V51-L62 HydrophobicContact CB-CD1 3.81Å; V51-L62 HydrophobicContact CB-CG 4.28Å; V51-L62 HydrophobicContact CG1-CD1 3.78Å; V51-L62 HydrophobicContact CG1-CD2 3.93Å; V51-L62 HydrophobicContact CG1-CG 3.83Å |
| 52 | Y | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.4 | 174.5 | 176.9 | -109.2 | 0 | 0 | 0 | 109.5 | L14 A15 V33 P54 D57 Q58 W59 L329 | L14-Y52 HydrophobicContact CD1-CE1 4.15Å; L14-Y52 WeakPolarHBondContact CD1-OH 3.3Å; A15-Y52 HydrophobicContact CB-CE2 4.37Å; V33-Y52 HydrophobicContact CB-CD1 4.45Å; V33-Y52 PolarHBondContact N-O 3.22Å; V33-Y52 PolarHBondContact O-N 2.9Å; Y52-P54 HydrophobicContact CD1-CG 4.04Å; Y52-P54 HydrophobicContact CE1-CB 4.02Å; Y52-P54 HydrophobicContact CE1-CG 3.94Å; Y52-P54 WeakPolarHBondContact O-CD 3.32Å; Y52-D57 WeakPolarHBondContact CE2-OD1 3.12Å; Y52-D57 PolarHBondContact OH-OD1 3.14Å; Y52-Q58 WeakPolarHBondContact CA-O 3.37Å; Y52-W59 AromaticContact CD2-CD1 3.81Å; Y52-W59 AromaticContact CD2-CD2 3.99Å; Y52-W59 HydrophobicContact CD2-CD2 3.99Å; Y52-W59 AromaticContact CD2-CE2 3.66Å; Y52-W59 HydrophobicContact CD2-CG 4.08Å; Y52-W59 HydrophobicContact CD2-CZ2 4.18Å; Y52-W59 AromaticContact CD2-NE1 3.52Å; Y52-W59 HydrophobicContact CG-CD2 4.27Å; Y52-W59 AromaticContact CG-CE2 3.93Å; Y52-W59 HydrophobicContact CG-CH2 4.42Å; Y52-W59 HydrophobicContact CG-CZ2 4.03Å; Y52-L329 HydrophobicContact CD1-CD2 4.37Å; Y52-L329 HydrophobicContact CE1-CD2 4.31Å |
| 53 | S | 97.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 110.3 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | E55 A56 D57 Q58 | S53-E55 PolarHBondContact O-N 3.32Å; S53-A56 PolarHBondContact O-N 3.03Å; S53-A56 PolarHBondContact OG-N 3Å; S53-D57 WeakPolarHBondContact O-CA 3.47Å; S53-D57 PolarHBondContact O-N 2.86Å; S53-Q58 PolarHBondContact N-O 2.82Å; S53-Q58 PolarHBondContact O-N 2.89Å |
| 54 | P | 94.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | 176.6 | -22.7 | 34.5 | 0 | 0 | 0 | 113.9 | G31 Y52 V324 | G31-P54 WeakPolarHBondContact O-CD 3.36Å; Y52-P54 HydrophobicContact CD1-CG 4.04Å; Y52-P54 HydrophobicContact CE1-CB 4.02Å; Y52-P54 HydrophobicContact CE1-CG 3.94Å; Y52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-V324 HydrophobicContact CG-CG1 4.19Å |
| 55 | E | 93.2 | Very high | 97.8 | Very high | 162 Ų | 162 | 46.7 Ų | 46.7 | 76% | 0.757 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -37.2 | -179.6 | -70.4 | 172.2 | -163.9 | 0 | 0 | 112.1 | S53 K325 | S53-E55 PolarHBondContact O-N 3.32Å; E55-K325 IonicContact OE1-NZ 3.15Å; E55-K325 PolarHBondContact OE1-NZ 3.5Å |
| 56 | A | 96.7 | Very high | 97.8 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -8.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 Q58 | S53-A56 PolarHBondContact O-N 3.03Å; S53-A56 PolarHBondContact OG-N 3Å; A56-Q58 VanDerWaalsContact C-N 3.26Å; A56-Q58 HydrophobicContact CB-CB 4.07Å; A56-Q58 PolarHBondContact O-N 2.9Å |
| 57 | D | 97.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 54.5 | -167.3 | -172.1 | 21.2 | 0 | 0 | 0 | 111.1 | L14 A15 Y52 S53 | L14-D57 WeakPolarHBondContact CA-OD1 3.47Å; L14-D57 WeakPolarHBondContact CB-OD1 3.14Å; A15-D57 WeakPolarHBondContact CB-O 3.31Å; A15-D57 PolarHBondContact N-OD1 2.79Å; Y52-D57 WeakPolarHBondContact CE2-OD1 3.12Å; Y52-D57 PolarHBondContact OH-OD1 3.14Å; S53-D57 WeakPolarHBondContact O-CA 3.47Å; S53-D57 PolarHBondContact O-N 2.86Å |
| 58 | Q | 98.3 | Very high | 97.8 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 55% | 0.551 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 137.3 | -172.4 | -170.1 | 175.6 | 44 | 0 | 0 | 112 | Y52 S53 A56 | Y52-Q58 WeakPolarHBondContact CA-O 3.37Å; S53-Q58 PolarHBondContact N-O 2.82Å; S53-Q58 PolarHBondContact O-N 2.89Å; A56-Q58 VanDerWaalsContact C-N 3.26Å; A56-Q58 HydrophobicContact CB-CB 4.07Å; A56-Q58 PolarHBondContact O-N 2.9Å |
| 59 | W | 98.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.4 | 168.5 | -69.2 | 92.9 | 0 | 0 | 0 | 111.2 | A15 L17 P18 A35 E50 V51 Y52 V331 V342 | A15-W59 PolarHBondContact O-NE1 2.96Å; L17-W59 HydrophobicContact CD1-CD2 4.26Å; L17-W59 HydrophobicContact CD1-CE3 4.18Å; L17-W59 HydrophobicContact CD1-CH2 3.68Å; L17-W59 HydrophobicContact CD1-CZ2 3.75Å; L17-W59 HydrophobicContact CD1-CZ3 3.91Å; P18-W59 HydrophobicContact CG-CB 3.48Å; P18-W59 VanDerWaalsContact CG-CB 3.48Å; P18-W59 HydrophobicContact CG-CG 4Å; A35-W59 HydrophobicContact CB-CH2 3.84Å; A35-W59 HydrophobicContact CB-CZ3 3.66Å; E50-W59 HydrophobicContact CB-CE3 3.87Å; E50-W59 HydrophobicContact CB-CZ3 4.25Å; V51-W59 CarbonylContact O-C 3.43Å; V51-W59 WeakPolarHBondContact O-CA 3.43Å; Y52-W59 AromaticContact CD2-CD1 3.81Å; Y52-W59 AromaticContact CD2-CD2 3.99Å; Y52-W59 HydrophobicContact CD2-CD2 3.99Å; Y52-W59 AromaticContact CD2-CE2 3.66Å; Y52-W59 HydrophobicContact CD2-CG 4.08Å; Y52-W59 HydrophobicContact CD2-CZ2 4.18Å; Y52-W59 AromaticContact CD2-NE1 3.52Å; Y52-W59 HydrophobicContact CG-CD2 4.27Å; Y52-W59 AromaticContact CG-CE2 3.93Å; Y52-W59 HydrophobicContact CG-CH2 4.42Å; Y52-W59 HydrophobicContact CG-CZ2 4.03Å; W59-V331 HydrophobicContact CH2-CG1 4.33Å; W59-V331 HydrophobicContact CZ2-CG1 4.27Å; W59-V342 HydrophobicContact CZ2-CG1 4.41Å; W59-V342 HydrophobicContact CZ2-CG2 3.94Å |
| 60 | T | 98.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.4 | 172 | -58.4 | 0 | 0 | 0 | 0 | 109 | E50 V51 | E50-T60 WeakPolarHBondContact CA-O 3.42Å; V51-T60 PolarHBondContact N-O 2.96Å; V51-T60 PolarHBondContact O-N 2.94Å |
| 61 | A | 98.3 | Very high | 97.7 | Very high | 80 Ų | 80 | 48 Ų | 48 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 62 | L | 98.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | trans | -104.6 | 169.6 | 175.5 | -64.8 | -177.5 | 0 | 0 | 0 | 109.6 | Y34 F49 V51 Y100 | Y34-L62 HydrophobicContact CD1-CD1 3.94Å; Y34-L62 HydrophobicContact CE1-CD1 3.65Å; F49-L62 HydrophobicContact CD1-CB 3.42Å; F49-L62 VanDerWaalsContact CD1-CB 3.42Å; F49-L62 HydrophobicContact CD1-CD1 3.86Å; F49-L62 HydrophobicContact CD1-CG 4.27Å; F49-L62 HydrophobicContact CE1-CB 3.82Å; F49-L62 HydrophobicContact CE1-CD1 3.43Å; F49-L62 VanDerWaalsContact CE1-CD1 3.43Å; F49-L62 HydrophobicContact CE1-CG 4.29Å; F49-L62 HydrophobicContact CG-CB 4.18Å; F49-L62 HydrophobicContact CZ-CD1 3.83Å; F49-L62 WeakPolarHBondContact O-CB 3.42Å; F49-L62 PolarHBondContact O-N 3.37Å; V51-L62 HydrophobicContact CB-CD1 3.81Å; V51-L62 HydrophobicContact CB-CG 4.28Å; V51-L62 HydrophobicContact CG1-CD1 3.78Å; V51-L62 HydrophobicContact CG1-CD2 3.93Å; V51-L62 HydrophobicContact CG1-CG 3.83Å; L62-Y100 HydrophobicContact CD1-CE1 4.18Å | ||
| 63 | P | 98.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -50.7 | 127.4 | 172.1 | -30.2 | 38.9 | 0 | 0 | 0 | 110.9 | F49 W107 | F49-P63 WeakPolarHBondContact CD1-O 3.47Å; P63-W107 PolarHBondContact O-NE1 3Å |
| 64 | P | 98.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 161.7 | -170.4 | 26.6 | -35.4 | 0 | 0 | 0 | 112 | D47 W107 | D47-P64 HydrophobicContact CB-CB 4.13Å; D47-P64 CarbonylContact O-C 3.59Å; D47-P64 WeakPolarHBondContact O-CA 3.44Å; D47-P64 WeakPolarHBondContact O-CB 3.42Å; P64-W107 PolarHBondContact O-NE1 2.82Å |
| 65 | L | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 132.9 | 171.8 | -73.3 | 93.8 | 0 | 0 | 0 | 109.4 | I36 D47 C48 F49 T67 R69 V83 W107 | I36-L65 HydrophobicContact CG2-CD1 4.06Å; I36-L65 HydrophobicContact CG2-CD2 3.96Å; I36-L65 HydrophobicContact CG2-CG 4.42Å; D47-L65 HydrophobicContact CB-CB 4.16Å; D47-L65 WeakPolarHBondContact CB-O 3.41Å; D47-L65 VanDerWaalsContact O-CD1 3.26Å; D47-L65 WeakPolarHBondContact O-CD1 3.49Å; D47-L65 PolarHBondContact O-N 3.24Å; C48-L65 VanDerWaalsContact O-CD1 3.23Å; C48-L65 WeakPolarHBondContact O-CD1 3.21Å; F49-L65 HydrophobicContact CB-CD1 3.94Å; L65-T67 PolarHBondContact O-N 2.7Å; L65-R69 HydrophobicContact CD2-CG 4.24Å; L65-V83 HydrophobicContact CD2-CG1 4.01Å; L65-W107 HydrophobicContact CG-CH2 4.18Å; L65-W107 HydrophobicContact CG-CZ2 4.03Å |
| 66 | P | 98.6 | Very high | 98 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -61.5 | -19 | 176.7 | -21 | 26.9 | 0 | 0 | 0 | 114.4 | E98 W107 | P66-E98 WeakPolarHBondContact CB-OE1 3.47Å; P66-E98 WeakPolarHBondContact CD-OE2 3.4Å; P66-E98 HydrophobicContact CG-CG 4.48Å; P66-W107 VanDerWaalsContact CD-CG 3.5Å; P66-W107 HydrophobicContact CG-CB 3.49Å; P66-W107 VanDerWaalsContact CG-CB 3.49Å; P66-W107 HydrophobicContact CG-CD2 4.29Å; P66-W107 HydrophobicContact CG-CG 3.76Å |
| 67 | T | 98.6 | Very high | 97.8 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -130.4 | 117.7 | 172.3 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | L65 R69 L94 E98 | L65-T67 PolarHBondContact O-N 2.7Å; T67-R69 WeakPolarHBondContact O-CG 3.41Å; T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 PolarHBondContact O-NH1 3.44Å; T67-L94 HydrophobicContact CG2-CD1 4.05Å; T67-E98 PolarHBondContact N-OE1 2.92Å; T67-E98 PolarHBondContact OG1-OE1 3.31Å |
| 68 | A | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | trans | -61.9 | 127.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M46 D47 T89 | M46-A68 WeakPolarHBondContact O-CA 3.41Å; D47-A68 HydrophobicContact CB-CB 3.88Å; A68-T89 HydrophobicContact CB-CG2 3.87Å | ||
| 69 | R | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 155 | -175.4 | 56.6 | -175.6 | -175.1 | -85.7 | 11 | 114.7 | G37 G38 M46 L65 T67 V72 V83 G85 V87 L94 E98 | G37-R69 WeakPolarHBondContact CA-O 3.42Å; G38-R69 PolarHBondContact N-O 3.15Å; G38-R69 VanDerWaalsContact N-O 3.12Å; M46-R69 PolarHBondContact O-N 3.36Å; L65-R69 HydrophobicContact CD2-CG 4.24Å; T67-R69 WeakPolarHBondContact O-CG 3.41Å; T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 PolarHBondContact O-NH1 3.44Å; R69-V72 HydrophobicContact CB-CG1 4.22Å; R69-V72 HydrophobicContact CG-CG1 3.44Å; R69-V72 VanDerWaalsContact CG-CG1 3.44Å; R69-V83 VanDerWaalsContact NH2-CG1 3.28Å; R69-G85 WeakPolarHBondContact CD-O 3.33Å; R69-G85 PolarHBondContact NE-O 3.07Å; R69-V87 CarbonylContact C-O 3.59Å; R69-V87 WeakPolarHBondContact CA-O 3.39Å; R69-V87 VanDerWaalsContact CB-O 3.27Å; R69-V87 WeakPolarHBondContact CB-O 3.41Å; R69-L94 HydrophobicContact CB-CD1 3.85Å; R69-L94 HydrophobicContact CG-CD1 4.49Å; R69-E98 IonicContact CZ-OE2 2.65Å; R69-E98 VanDerWaalsContact CZ-OE2 3.23Å; R69-E98 IonicContact NH1-OE1 3.41Å; R69-E98 IonicContact NH1-OE2 3.83Å; R69-E98 PolarHBondContact NH1-OE2 2.91Å; R69-E98 IonicContact NH2-OE2 3.23Å; R69-E98 PolarHBondContact NH2-OE2 3.14Å |
| 70 | A | 97.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 162 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C39 P45 V72 G86 V87 | C39-A70 WeakPolarHBondContact SG-CB 3.32Å; P45-A70 HydrophobicContact CB-CB 4.18Å; P45-A70 HydrophobicContact CG-CB 4.36Å; A70-V72 PolarHBondContact O-N 3.49Å; A70-G86 WeakPolarHBondContact O-CA 3.41Å; A70-V87 PolarHBondContact N-O 2.81Å; A70-V87 PolarHBondContact O-N 2.95Å |
| 71 | G | 96.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 37 Ų | 37 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 59.4 | 35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y23 | Y23-G71 PolarHBondContact O-N 3.04Š|
| 72 | V | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -71.2 | 153.2 | -178.7 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | S25 I36 R69 A70 V74 V83 | S25-V72 WeakPolarHBondContact OG-CG2 3.31Å; S25-V72 PolarHBondContact OG-O 2.89Å; I36-V72 HydrophobicContact CG2-CG2 4.2Å; R69-V72 HydrophobicContact CB-CG1 4.22Å; R69-V72 HydrophobicContact CG-CG1 3.44Å; R69-V72 VanDerWaalsContact CG-CG1 3.44Å; A70-V72 PolarHBondContact O-N 3.49Å; V72-V74 HydrophobicContact CB-CG1 4.34Å; V72-V74 HydrophobicContact CG2-CG1 3.63Å; V72-V83 HydrophobicContact CB-CG1 3.62Å; V72-V83 HydrophobicContact CG1-CG1 3.68Å; V72-V83 HydrophobicContact CG2-CG1 3.88Å | ||
| 73 | A | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V83 I84 I120 V122 | A73-V83 WeakPolarHBondContact O-CA 3.39Å; A73-I84 HydrophobicContact CB-CB 4.28Å; A73-I84 PolarHBondContact N-O 3.33Å; A73-I84 PolarHBondContact O-N 2.75Å; A73-I120 HydrophobicContact CB-CB 4.07Å; A73-I120 HydrophobicContact CB-CG2 4.26Å; A73-V122 HydrophobicContact CB-CB 4.11Å; A73-V122 HydrophobicContact CB-CG1 3.88Å |
| 74 | V | 98.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.127 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.1 | -176.5 | -57.7 | 0 | 0 | 0 | 0 | 112 | L27 I36 V72 M82 V83 V122 | L27-V74 HydrophobicContact CB-CG2 4.09Å; I36-V74 HydrophobicContact CB-CG1 4.36Å; I36-V74 HydrophobicContact CD1-CB 4.05Å; I36-V74 HydrophobicContact CD1-CG1 3.75Å; I36-V74 HydrophobicContact CD1-CG2 4.39Å; I36-V74 HydrophobicContact CG2-CG1 4.23Å; V72-V74 HydrophobicContact CB-CG1 4.34Å; V72-V74 HydrophobicContact CG2-CG1 3.63Å; V74-M82 WeakPolarHBondContact CA-O 3.37Å; V74-V83 HydrophobicContact CG1-CG1 4.24Å; V74-V83 HydrophobicContact CG1-CG2 4.2Å; V74-V122 WeakPolarHBondContact O-CG1 3.3Å |
| 75 | T | 97.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 25.4 Ų | 25.4 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157.7 | 173.3 | -163.1 | 0 | 0 | 0 | 0 | 111.4 | M82 V122 A124 V129 | T75-M82 HydrophobicContact CG2-CB 4.28Å; T75-M82 PolarHBondContact N-O 2.88Å; T75-M82 VanDerWaalsContact N-O 3.07Å; T75-M82 PolarHBondContact O-N 2.87Å; T75-V122 HydrophobicContact CG2-CG2 4.05Å; T75-A124 HydrophobicContact CG2-CB 4.23Å; T75-A124 WeakPolarHBondContact OG1-CB 3.33Å; T75-V129 HydrophobicContact CG2-CB 4.36Å; T75-V129 HydrophobicContact CG2-CG1 3.67Å; T75-V129 HydrophobicContact CG2-CG2 3.76Å |
| 76 | A | 96.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L27 T29 R80 | L27-A76 HydrophobicContact CD1-CB 4.21Å; L27-A76 HydrophobicContact CD2-CB 4.05Å; L27-A76 HydrophobicContact CG-CB 4.39Å; T29-A76 HydrophobicContact CG2-CB 4.3Å; A76-R80 CarbonylContact C-O 3.52Å; A76-R80 WeakPolarHBondContact CA-O 3.49Å |
| 77 | L | 92.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 23.1 Ų | 23.1 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 86.9 | 171.5 | -77.2 | 169.8 | 0 | 0 | 0 | 108.4 | K79 R80 A124 V129 M150 | L77-K79 PolarHBondContact O-N 3.3Å; L77-R80 PolarHBondContact N-O 2.98Å; L77-R80 PolarHBondContact O-N 3.37Å; L77-A124 HydrophobicContact CD2-CB 3.87Å; L77-A124 HydrophobicContact CG-CB 4.37Å; L77-V129 HydrophobicContact CD1-CG2 3.33Å; L77-V129 HydrophobicContact CG-CG2 4.07Å; L77-M150 HydrophobicContact CD1-CE 4.06Å; L77-M150 HydrophobicContact CD1-CG 3.47Å; L77-M150 VanDerWaalsContact CD1-CG 3.47Å; L77-M150 HydrophobicContact CD1-SD 3.37Å; L77-M150 WeakPolarHBondContact CD1-SD 3.5Å |
| 78 | G | 89.3 | Confident | 97 | Very high | 59 Ų | 59 | 21.3 Ų | 21.3 | 61% | 0.608 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -125.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T29 R80 | T29-G78 PolarHBondContact OG1-O 2.91Å; G78-R80 PolarHBondContact O-N 3.38Å |
| 79 | K | 93.7 | Very high | 97 | Very high | 115 Ų | 115 | 24.3 Ų | 24.3 | 50% | 0.5 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 25.2 | -179.7 | -63.6 | -174.3 | 175 | -172.7 | 0 | 114.6 | L77 I102 D103 | L77-K79 PolarHBondContact O-N 3.3Å; K79-I102 HydrophobicContact CB-CB 4.33Å; K79-I102 WeakPolarHBondContact O-CB 3.47Å; K79-I102 WeakPolarHBondContact O-CG1 3.32Å; K79-I102 PolarHBondContact O-N 3.36Å; K79-D103 VanDerWaalsContact CD-CG 3.45Å; K79-D103 VanDerWaalsContact CD-OD1 3.29Å; K79-D103 WeakPolarHBondContact CD-OD1 3.42Å; K79-D103 WeakPolarHBondContact CD-OD2 3.4Å; K79-D103 IonicContact NZ-OD1 2.65Å; K79-D103 PolarHBondContact NZ-OD1 3.41Å; K79-D103 IonicContact NZ-OD2 2.95Å; K79-D103 PolarHBondContact NZ-OD2 3.47Å |
| 80 | R | 96.3 | Very high | 96.9 | Very high | 81 Ų | 81 | 29 Ų | 29 | 31% | 0.306 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.8 | -178.6 | -60.7 | 175.2 | -175.7 | -81 | 1.9 | 109.4 | A76 L77 G78 M99 Y100 N101 | A76-R80 CarbonylContact C-O 3.52Å; A76-R80 WeakPolarHBondContact CA-O 3.49Å; L77-R80 PolarHBondContact N-O 2.98Å; L77-R80 PolarHBondContact O-N 3.37Å; G78-R80 PolarHBondContact O-N 3.38Å; R80-M99 HydrophobicContact CB-CE 4.44Å; R80-M99 HydrophobicContact CB-CG 4.08Å; R80-M99 HydrophobicContact CB-SD 3.85Å; R80-M99 HydrophobicContact CG-CE 4.37Å; R80-M99 HydrophobicContact CG-SD 4.39Å; R80-Y100 CarbonylContact C-O 3.57Å; R80-Y100 VanDerWaalsContact CA-O 3.28Å; R80-Y100 WeakPolarHBondContact CA-O 3.43Å; R80-N101 PolarHBondContact NH1-ND2 3.28Å |
| 81 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.5 | 176.9 | -64.2 | 172.5 | 0 | 0 | 0 | 107.6 | L27 T29 Y34 I36 F49 V83 M99 Y100 I102 | L27-I81 HydrophobicContact CD2-CB 4.14Å; L27-I81 HydrophobicContact CD2-CD1 4.24Å; L27-I81 HydrophobicContact CD2-CG1 3.78Å; L27-I81 HydrophobicContact CD2-CG2 3.55Å; T29-I81 HydrophobicContact CG2-CD1 4.05Å; T29-I81 HydrophobicContact CG2-CG1 4.1Å; Y34-I81 HydrophobicContact CD1-CD1 3.48Å; Y34-I81 VanDerWaalsContact CD1-CD1 3.48Å; Y34-I81 HydrophobicContact CD2-CD1 3.64Å; Y34-I81 HydrophobicContact CE1-CD1 3.6Å; Y34-I81 HydrophobicContact CE2-CD1 3.81Å; Y34-I81 HydrophobicContact CG-CD1 3.48Å; Y34-I81 VanDerWaalsContact CG-CD1 3.48Å; I36-I81 HydrophobicContact CD1-CG2 3.84Å; F49-I81 HydrophobicContact CE2-CD1 4.47Å; F49-I81 HydrophobicContact CZ-CD1 4.09Å; I81-V83 HydrophobicContact CG2-CG2 4.34Å; I81-M99 CarbonylContact O-C 3.55Å; I81-M99 WeakPolarHBondContact O-CA 3.45Å; I81-M99 WeakPolarHBondContact O-CG 3.4Å; I81-Y100 PolarHBondContact N-O 3.31Å; I81-Y100 PolarHBondContact O-N 2.92Å; I81-I102 HydrophobicContact CD1-CD1 4.15Å; I81-I102 HydrophobicContact CD1-CG1 4.32Å; I81-I102 HydrophobicContact CG1-CD1 4.24Å; I81-I102 HydrophobicContact CG1-CG1 4.49Å |
| 82 | M | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.3 | 177.6 | -172 | 177.3 | -76.1 | 0 | 0 | 110.1 | V74 T75 I84 V97 M99 V129 Y148 M150 | V74-M82 WeakPolarHBondContact CA-O 3.37Å; T75-M82 HydrophobicContact CG2-CB 4.28Å; T75-M82 PolarHBondContact N-O 2.88Å; T75-M82 VanDerWaalsContact N-O 3.07Å; T75-M82 PolarHBondContact O-N 2.87Å; M82-I84 HydrophobicContact CG-CD1 4.1Å; M82-I84 HydrophobicContact CG-CG1 3.91Å; M82-I84 HydrophobicContact SD-CD1 3.88Å; M82-I84 HydrophobicContact SD-CG1 4.08Å; M82-V97 HydrophobicContact CG-CG1 3.93Å; M82-V97 HydrophobicContact SD-CG1 3.98Å; M82-M99 HydrophobicContact CB-CG 4.45Å; M82-M99 HydrophobicContact CE-SD 3.94Å; M82-V129 HydrophobicContact CE-CG2 4.3Å; M82-V129 HydrophobicContact SD-CB 4.23Å; M82-V129 HydrophobicContact SD-CG1 4.38Å; M82-V129 HydrophobicContact SD-CG2 3.79Å; M82-Y148 HydrophobicContact CE-CD1 3.49Å; M82-Y148 VanDerWaalsContact CE-CD1 3.49Å; M82-Y148 HydrophobicContact CE-CE1 3.34Å; M82-Y148 HydrophobicContact CE-CG 4.3Å; M82-Y148 HydrophobicContact SD-CD1 4.19Å; M82-M150 HydrophobicContact CE-SD 3.52Å; M82-M150 VanDerWaalsContact CE-SD 3.52Å |
| 83 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.9 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | I36 L65 R69 V72 A73 V74 I81 V97 E98 W107 | I36-V83 HydrophobicContact CG2-CG1 4.25Å; I36-V83 HydrophobicContact CG2-CG2 3.82Å; L65-V83 HydrophobicContact CD2-CG1 4.01Å; R69-V83 VanDerWaalsContact NH2-CG1 3.28Å; V72-V83 HydrophobicContact CB-CG1 3.62Å; V72-V83 HydrophobicContact CG1-CG1 3.68Å; V72-V83 HydrophobicContact CG2-CG1 3.88Å; A73-V83 WeakPolarHBondContact O-CA 3.39Å; V74-V83 HydrophobicContact CG1-CG1 4.24Å; V74-V83 HydrophobicContact CG1-CG2 4.2Å; I81-V83 HydrophobicContact CG2-CG2 4.34Å; V83-V97 WeakPolarHBondContact O-CA 3.29Å; V83-E98 PolarHBondContact N-O 3.24Å; V83-E98 PolarHBondContact O-N 3.42Å; V83-W107 HydrophobicContact CG2-CH2 3.72Å; V83-W107 HydrophobicContact CG2-CZ3 3.86Å |
| 84 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.1 | -168.4 | -62 | 155.6 | 0 | 0 | 0 | 110.3 | A73 M82 V97 L113 I120 V122 V129 W155 | A73-I84 HydrophobicContact CB-CB 4.28Å; A73-I84 PolarHBondContact N-O 3.33Å; A73-I84 PolarHBondContact O-N 2.75Å; M82-I84 HydrophobicContact CG-CD1 4.1Å; M82-I84 HydrophobicContact CG-CG1 3.91Å; M82-I84 HydrophobicContact SD-CD1 3.88Å; M82-I84 HydrophobicContact SD-CG1 4.08Å; I84-V97 HydrophobicContact CG1-CG1 3.99Å; I84-V97 HydrophobicContact CG1-CG2 4.35Å; I84-V97 HydrophobicContact CG2-CG2 4.28Å; I84-L113 HydrophobicContact CG2-CD1 3.82Å; I84-L113 HydrophobicContact CG2-CD2 3.9Å; I84-L113 HydrophobicContact CG2-CG 4.09Å; I84-I120 HydrophobicContact CG2-CD1 3.97Å; I84-V122 HydrophobicContact CD1-CG2 3.94Å; I84-V129 HydrophobicContact CD1-CG1 3.72Å; I84-W155 HydrophobicContact CD1-CH2 3.97Å; I84-W155 HydrophobicContact CD1-CZ2 4.37Å; I84-W155 HydrophobicContact CG1-CH2 4.43Å; I84-W155 HydrophobicContact CG1-CZ2 4.37Å; I84-W155 HydrophobicContact CG2-CH2 4.46Å; I84-W155 HydrophobicContact CG2-CZ2 4.45Å |
| 85 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | 60.1 | -142.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R69 L94 V96 | R69-G85 WeakPolarHBondContact CD-O 3.33Å; R69-G85 PolarHBondContact NE-O 3.07Å; G85-L94 WeakPolarHBondContact CA-O 3.25Å; G85-V96 PolarHBondContact N-O 2.88Å | ||
| 86 | G | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | 97.7 | -169.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A70 P93 L94 A117 | A70-G86 WeakPolarHBondContact O-CA 3.41Å; G86-P93 CarbonylContact O-C 3.47Å; G86-P93 WeakPolarHBondContact O-CA 3.17Å; G86-L94 PolarHBondContact O-N 2.8Å; G86-A117 PolarHBondContact N-O 2.92Å | ||
| 87 | V | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.1 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | R69 A70 L92 M118 | R69-V87 CarbonylContact C-O 3.59Å; R69-V87 WeakPolarHBondContact CA-O 3.39Å; R69-V87 VanDerWaalsContact CB-O 3.27Å; R69-V87 WeakPolarHBondContact CB-O 3.41Å; A70-V87 PolarHBondContact N-O 2.81Å; A70-V87 PolarHBondContact O-N 2.95Å; V87-L92 WeakPolarHBondContact CA-O 3.31Å; V87-M118 HydrophobicContact CG2-CB 3.73Å; V87-M118 HydrophobicContact CG2-CG 4.24Å; V87-M118 HydrophobicContact CG2-SD 3.38Å; V87-M118 WeakPolarHBondContact CG2-SD 3.37Å |
| 88 | G | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P45 N90 Q91 L92 | P45-G88 WeakPolarHBondContact CG-O 3.41Å; G88-N90 PolarHBondContact O-N 3.39Å; G88-N90 VanDerWaalsContact O-N 3.09Å; G88-Q91 WeakPolarHBondContact O-CA 3.31Å; G88-Q91 PolarHBondContact O-N 3.29Å; G88-L92 PolarHBondContact N-O 2.83Å |
| 89 | T | 97.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 54% | 0.54 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.5 | -177 | 52.3 | 0 | 0 | 0 | 0 | 114.9 | A68 Q91 | A68-T89 HydrophobicContact CB-CG2 3.87Å; T89-Q91 PolarHBondContact O-N 3.34Å |
| 90 | N | 96.6 | Very high | 98 | Very high | 99 Ų | 99 | 32.3 Ų | 32.3 | 53% | 0.529 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 8.4 | 171.6 | 64.1 | -3.6 | 0 | 0 | 0 | 114 | G88 L92 | G88-N90 PolarHBondContact O-N 3.39Å; G88-N90 VanDerWaalsContact O-N 3.09Å; N90-L92 PolarHBondContact O-N 2.85Å; N90-L92 WeakPolarHBondContact OD1-CB 3.28Å; N90-L92 PolarHBondContact OD1-N 2.9Å; N90-L92 VanDerWaalsContact OD1-N 3.16Å |
| 91 | Q | 96.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 29.1 Ų | 29.1 | 52% | 0.519 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 62.1 | 23.6 | -177.8 | -56.1 | -64.8 | -26.3 | 0 | 0 | 114.1 | G43 G88 T89 | G43-Q91 PolarHBondContact O-NE2 3.12Å; G43-Q91 VanDerWaalsContact O-NE2 3.09Å; G88-Q91 WeakPolarHBondContact O-CA 3.31Å; G88-Q91 PolarHBondContact O-N 3.29Å; T89-Q91 PolarHBondContact O-N 3.34Å |
| 92 | L | 97.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 31.2 Ų | 31.2 | 42% | 0.419 | 16% | 0.163 | S | C | . | . | trans | -109.8 | 144.3 | 178.5 | -62.7 | -178.7 | 0 | 0 | 0 | 111.8 | V87 G88 N90 L137 | V87-L92 WeakPolarHBondContact CA-O 3.31Å; G88-L92 PolarHBondContact N-O 2.83Å; N90-L92 PolarHBondContact O-N 2.85Å; N90-L92 WeakPolarHBondContact OD1-CB 3.28Å; N90-L92 PolarHBondContact OD1-N 2.9Å; N90-L92 VanDerWaalsContact OD1-N 3.16Å; L92-L137 HydrophobicContact CB-CD2 3.76Å; L92-L137 HydrophobicContact CD1-CD2 4.1Å; L92-L137 HydrophobicContact CD2-CD2 3.89Å; L92-L137 HydrophobicContact CG-CD2 4.13Å | ||
| 93 | P | 98 | Very high | 98 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -50.6 | 145.5 | 167 | -28.9 | 34.8 | 0 | 0 | 0 | 112.5 | G86 A116 M118 | G86-P93 CarbonylContact O-C 3.47Å; G86-P93 WeakPolarHBondContact O-CA 3.17Å; P93-A116 HydrophobicContact CB-CB 4.17Å; P93-A116 WeakPolarHBondContact O-CB 3.37Å; P93-M118 HydrophobicContact CB-CB 4.38Å; P93-M118 HydrophobicContact CG-CB 4.34Å; P93-M118 HydrophobicContact CG-CG 4.02Å; P93-M118 HydrophobicContact CG-SD 4.19Å |
| 94 | L | 98.3 | Very high | 97.9 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | trans | -112.8 | 150.4 | -179.3 | -63.8 | 176.2 | 0 | 0 | 0 | 112 | T67 R69 G85 G86 V96 A116 A117 | T67-L94 HydrophobicContact CG2-CD1 4.05Å; R69-L94 HydrophobicContact CB-CD1 3.85Å; R69-L94 HydrophobicContact CG-CD1 4.49Å; G85-L94 WeakPolarHBondContact CA-O 3.25Å; G86-L94 PolarHBondContact O-N 2.8Å; L94-V96 HydrophobicContact CB-CB 4.3Å; L94-V96 HydrophobicContact CB-CG2 4.22Å; L94-V96 HydrophobicContact CD1-CG2 4.49Å; L94-A116 WeakPolarHBondContact O-CA 3.35Å; L94-A117 PolarHBondContact O-N 2.76Å | ||
| 95 | K | 98 | Very high | 97.9 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | trans | -91 | -3.7 | 166.9 | 63.7 | -177.4 | -177.9 | 171.5 | 0 | 113.2 | M112 L113 A116 | K95-M112 HydrophobicContact CB-CB 4.29Å; K95-M112 HydrophobicContact CD-CB 4.34Å; K95-M112 HydrophobicContact CD-CG 4.23Å; K95-M112 HydrophobicContact CD-SD 3.47Å; K95-M112 WeakPolarHBondContact CD-SD 3.4Å; K95-M112 WeakPolarHBondContact CE-SD 3.33Å; K95-M112 HydrophobicContact CG-CB 4.12Å; K95-M112 HydrophobicContact CG-SD 4.2Å; K95-M112 PolarHBondContact NZ-SD 2.71Å; K95-M112 WeakPolarHBondContact O-CA 3.09Å; K95-M112 VanDerWaalsContact O-CB 3.27Å; K95-M112 WeakPolarHBondContact O-CB 3.29Å; K95-L113 HydrophobicContact CB-CB 4.27Å; K95-L113 PolarHBondContact O-N 2.81Å; K95-A116 HydrophobicContact CB-CB 4.46Å | ||
| 96 | V | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | trans | -64.6 | 134.6 | -167.9 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | G85 L94 E98 | G85-V96 PolarHBondContact N-O 2.88Å; L94-V96 HydrophobicContact CB-CB 4.3Å; L94-V96 HydrophobicContact CB-CG2 4.22Å; L94-V96 HydrophobicContact CD1-CG2 4.49Å; V96-E98 HydrophobicContact CG1-CG 3.7Å; V96-E98 WeakPolarHBondContact CG1-OE1 3.36Å | ||
| 97 | V | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.2 | 170.1 | -175 | 0 | 0 | 0 | 0 | 107.5 | M82 V83 I84 R110 S111 L113 W155 | M82-V97 HydrophobicContact CG-CG1 3.93Å; M82-V97 HydrophobicContact SD-CG1 3.98Å; V83-V97 WeakPolarHBondContact O-CA 3.29Å; I84-V97 HydrophobicContact CG1-CG1 3.99Å; I84-V97 HydrophobicContact CG1-CG2 4.35Å; I84-V97 HydrophobicContact CG2-CG2 4.28Å; V97-R110 HydrophobicContact CB-CB 4.28Å; V97-R110 HydrophobicContact CG1-CB 3.96Å; V97-R110 PolarHBondContact O-N 2.91Å; V97-S111 WeakPolarHBondContact CG2-O 3.48Å; V97-L113 HydrophobicContact CG2-CG 4.14Å; V97-W155 HydrophobicContact CG1-CZ2 4.46Å; V97-W155 HydrophobicContact CG2-CZ2 3.92Å |
| 98 | E | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.4 | -179.6 | -68.3 | 164.6 | 172.4 | 0 | 0 | 109 | P66 T67 R69 V83 V96 W107 K109 | P66-E98 WeakPolarHBondContact CB-OE1 3.47Å; P66-E98 WeakPolarHBondContact CD-OE2 3.4Å; P66-E98 HydrophobicContact CG-CG 4.48Å; T67-E98 PolarHBondContact N-OE1 2.92Å; T67-E98 PolarHBondContact OG1-OE1 3.31Å; R69-E98 IonicContact CZ-OE2 2.65Å; R69-E98 VanDerWaalsContact CZ-OE2 3.23Å; R69-E98 IonicContact NH1-OE1 3.41Å; R69-E98 IonicContact NH1-OE2 3.83Å; R69-E98 PolarHBondContact NH1-OE2 2.91Å; R69-E98 IonicContact NH2-OE2 3.23Å; R69-E98 PolarHBondContact NH2-OE2 3.14Å; V83-E98 PolarHBondContact N-O 3.24Å; V83-E98 PolarHBondContact O-N 3.42Å; V96-E98 HydrophobicContact CG1-CG 3.7Å; V96-E98 WeakPolarHBondContact CG1-OE1 3.36Å; E98-W107 HydrophobicContact CB-CE3 3.93Å; E98-W107 HydrophobicContact CB-CZ3 4.15Å; E98-K109 HydrophobicContact CG-CG 4.41Å |
| 99 | M | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 127.9 | -176.5 | -170 | 173.9 | 72.8 | 0 | 0 | 111.1 | R80 I81 M82 W107 K108 R110 M150 | R80-M99 HydrophobicContact CB-CE 4.44Å; R80-M99 HydrophobicContact CB-CG 4.08Å; R80-M99 HydrophobicContact CB-SD 3.85Å; R80-M99 HydrophobicContact CG-CE 4.37Å; R80-M99 HydrophobicContact CG-SD 4.39Å; I81-M99 CarbonylContact O-C 3.55Å; I81-M99 WeakPolarHBondContact O-CA 3.45Å; I81-M99 WeakPolarHBondContact O-CG 3.4Å; M82-M99 HydrophobicContact CB-CG 4.45Å; M82-M99 HydrophobicContact CE-SD 3.94Å; M99-W107 VanDerWaalsContact C-CE3 3.49Å; M99-W107 CarbonylContact O-C 3.47Å; M99-W107 WeakPolarHBondContact O-CA 3.41Å; M99-K108 PolarHBondContact N-O 3.03Å; M99-K108 PolarHBondContact O-N 2.83Å; M99-R110 HydrophobicContact CB-CG 4Å; M99-R110 VanDerWaalsContact CE-NE 3.33Å; M99-M150 HydrophobicContact CE-CE 3.95Å; M99-M150 HydrophobicContact SD-CE 3.6Å; M99-M150 VanDerWaalsContact SD-CE 3.6Å; M99-M150 HydrophobicContact SD-SD 4.01Å |
| 100 | Y | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.1 | 174.9 | -175.5 | -107.4 | 0 | 0 | 0 | 109.9 | F49 L62 R80 I81 I102 G105 W107 | F49-Y100 HydrophobicContact CD1-CD2 4.47Å; F49-Y100 HydrophobicContact CD1-CE2 4.47Å; F49-Y100 AromaticContact CE1-CD1 3.53Å; F49-Y100 HydrophobicContact CE1-CD1 3.53Å; F49-Y100 AromaticContact CE1-CD2 3.75Å; F49-Y100 HydrophobicContact CE1-CD2 3.75Å; F49-Y100 AromaticContact CE1-CE1 3.63Å; F49-Y100 HydrophobicContact CE1-CE1 3.63Å; F49-Y100 AromaticContact CE1-CE2 3.85Å; F49-Y100 HydrophobicContact CE1-CE2 3.85Å; F49-Y100 AromaticContact CE1-CG 3.58Å; F49-Y100 HydrophobicContact CE1-CG 3.58Å; F49-Y100 AromaticContact CE1-CZ 3.77Å; F49-Y100 AromaticContact CZ-CD1 3.71Å; F49-Y100 HydrophobicContact CZ-CD1 3.71Å; F49-Y100 HydrophobicContact CZ-CE1 4.07Å; F49-Y100 AromaticContact CZ-CG 3.98Å; F49-Y100 HydrophobicContact CZ-CG 3.98Å; L62-Y100 HydrophobicContact CD1-CE1 4.18Å; R80-Y100 CarbonylContact C-O 3.57Å; R80-Y100 VanDerWaalsContact CA-O 3.28Å; R80-Y100 WeakPolarHBondContact CA-O 3.43Å; I81-Y100 PolarHBondContact N-O 3.31Å; I81-Y100 PolarHBondContact O-N 2.92Å; Y100-I102 HydrophobicContact CD1-CG1 4.11Å; Y100-I102 HydrophobicContact CE1-CG1 4.23Å; Y100-G105 VanDerWaalsContact CE2-C 3.41Å; Y100-G105 WeakPolarHBondContact OH-CA 3.21Å; Y100-W107 AromaticContact CD2-CD1 3.85Å; Y100-W107 AromaticContact CD2-CD2 3.93Å; Y100-W107 HydrophobicContact CD2-CD2 3.93Å; Y100-W107 AromaticContact CD2-CE2 3.72Å; Y100-W107 HydrophobicContact CD2-CG 4.02Å; Y100-W107 HydrophobicContact CD2-CZ2 4.27Å; Y100-W107 AromaticContact CD2-NE1 3.64Å; Y100-W107 HydrophobicContact CG-CD2 4.37Å; Y100-W107 HydrophobicContact CG-CZ2 4.33Å |
| 101 | N | 98 | Very high | 98 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.8 | 167.9 | -176.5 | -23.7 | 0 | 0 | 0 | 108.7 | R80 D103 E104 G105 K106 | R80-N101 PolarHBondContact NH1-ND2 3.28Å; N101-D103 PolarHBondContact OD1-N 3.49Å; N101-E104 HydrophobicContact CB-CB 4.04Å; N101-E104 HydrophobicContact CB-CG 4.31Å; N101-E104 VanDerWaalsContact ND2-CD 3.34Å; N101-E104 PolarHBondContact ND2-OE1 3.42Å; N101-E104 PolarHBondContact O-N 2.95Å; N101-E104 PolarHBondContact OD1-N 2.95Å; N101-G105 WeakPolarHBondContact O-CA 3.47Å; N101-G105 PolarHBondContact O-N 3.33Å; N101-K106 PolarHBondContact N-O 2.69Å; N101-K106 PolarHBondContact O-N 3.05Å |
| 102 | I | 97.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -40 | -176.8 | -62.1 | 171.9 | 0 | 0 | 0 | 111.4 | T29 Y34 K79 I81 Y100 | T29-I102 HydrophobicContact CG2-CD1 3.73Å; Y34-I102 HydrophobicContact CE2-CD1 4.45Å; K79-I102 HydrophobicContact CB-CB 4.33Å; K79-I102 WeakPolarHBondContact O-CB 3.47Å; K79-I102 WeakPolarHBondContact O-CG1 3.32Å; K79-I102 PolarHBondContact O-N 3.36Å; I81-I102 HydrophobicContact CD1-CD1 4.15Å; I81-I102 HydrophobicContact CD1-CG1 4.32Å; I81-I102 HydrophobicContact CG1-CD1 4.24Å; I81-I102 HydrophobicContact CG1-CG1 4.49Å; Y100-I102 HydrophobicContact CD1-CG1 4.11Å; Y100-I102 HydrophobicContact CE1-CG1 4.23Å |
| 103 | D | 96.8 | Very high | 98.1 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -38 | -179 | -70.9 | -27.8 | 0 | 0 | 0 | 112.1 | K79 N101 | K79-D103 VanDerWaalsContact CD-CG 3.45Å; K79-D103 VanDerWaalsContact CD-OD1 3.29Å; K79-D103 WeakPolarHBondContact CD-OD1 3.42Å; K79-D103 WeakPolarHBondContact CD-OD2 3.4Å; K79-D103 IonicContact NZ-OD1 2.65Å; K79-D103 PolarHBondContact NZ-OD1 3.41Å; K79-D103 IonicContact NZ-OD2 2.95Å; K79-D103 PolarHBondContact NZ-OD2 3.47Å; N101-D103 PolarHBondContact OD1-N 3.49Å |
| 104 | E | 97.6 | Very high | 97.9 | Very high | 86 Ų | 86 | 60.5 Ų | 60.5 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.9 | 180 | -67.4 | 173.5 | -136.1 | 0 | 0 | 112.7 | N101 K106 K108 | N101-E104 HydrophobicContact CB-CB 4.04Å; N101-E104 HydrophobicContact CB-CG 4.31Å; N101-E104 VanDerWaalsContact ND2-CD 3.34Å; N101-E104 PolarHBondContact ND2-OE1 3.42Å; N101-E104 PolarHBondContact O-N 2.95Å; N101-E104 PolarHBondContact OD1-N 2.95Å; E104-K106 VanDerWaalsContact C-N 3.28Å; E104-K106 HydrophobicContact CB-CB 4.24Å; E104-K106 WeakPolarHBondContact O-CG 3.39Å; E104-K106 PolarHBondContact O-N 2.81Å; E104-K108 IonicContact OE1-NZ 2.74Å; E104-K108 PolarHBondContact OE1-NZ 2.78Å; E104-K108 WeakPolarHBondContact OE2-CE 3.31Å; E104-K108 IonicContact OE2-NZ 2.89Å; E104-K108 PolarHBondContact OE2-NZ 3.31Å |
| 105 | G | 97.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 32.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y100 N101 | Y100-G105 VanDerWaalsContact CE2-C 3.41Å; Y100-G105 WeakPolarHBondContact OH-CA 3.21Å; N101-G105 WeakPolarHBondContact O-CA 3.47Å; N101-G105 PolarHBondContact O-N 3.33Å |
| 106 | K | 98.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 59 Ų | 59 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.8 | -169.5 | -74.6 | 176.6 | -174.7 | 178.6 | 0 | 113.7 | N101 E104 | N101-K106 PolarHBondContact N-O 2.69Å; N101-K106 PolarHBondContact O-N 3.05Å; E104-K106 VanDerWaalsContact C-N 3.28Å; E104-K106 HydrophobicContact CB-CB 4.24Å; E104-K106 WeakPolarHBondContact O-CG 3.39Å; E104-K106 PolarHBondContact O-N 2.81Å |
| 107 | W | 98.7 | Very high | 97.6 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143.1 | 169.1 | -69.6 | 100.2 | 0 | 0 | 0 | 111.8 | F49 P63 P64 L65 P66 V83 E98 M99 Y100 | F49-W107 HydrophobicContact CB-CZ2 4.36Å; F49-W107 AromaticContact CD1-CZ2 3.54Å; F49-W107 HydrophobicContact CD1-CZ2 3.54Å; F49-W107 AromaticContact CD1-NE1 3.96Å; F49-W107 HydrophobicContact CD2-CZ2 4.16Å; F49-W107 AromaticContact CE1-CZ2 3.71Å; F49-W107 HydrophobicContact CE1-CZ2 3.71Å; F49-W107 HydrophobicContact CE2-CZ2 4.3Å; F49-W107 AromaticContact CG-CZ2 3.78Å; F49-W107 HydrophobicContact CG-CZ2 3.78Å; F49-W107 HydrophobicContact CZ-CZ2 4.09Å; P63-W107 PolarHBondContact O-NE1 3Å; P64-W107 PolarHBondContact O-NE1 2.82Å; L65-W107 HydrophobicContact CG-CH2 4.18Å; L65-W107 HydrophobicContact CG-CZ2 4.03Å; P66-W107 VanDerWaalsContact CD-CG 3.5Å; P66-W107 HydrophobicContact CG-CB 3.49Å; P66-W107 VanDerWaalsContact CG-CB 3.49Å; P66-W107 HydrophobicContact CG-CD2 4.29Å; P66-W107 HydrophobicContact CG-CG 3.76Å; V83-W107 HydrophobicContact CG2-CH2 3.72Å; V83-W107 HydrophobicContact CG2-CZ3 3.86Å; E98-W107 HydrophobicContact CB-CE3 3.93Å; E98-W107 HydrophobicContact CB-CZ3 4.15Å; M99-W107 VanDerWaalsContact C-CE3 3.49Å; M99-W107 CarbonylContact O-C 3.47Å; M99-W107 WeakPolarHBondContact O-CA 3.41Å; Y100-W107 AromaticContact CD2-CD1 3.85Å; Y100-W107 AromaticContact CD2-CD2 3.93Å; Y100-W107 HydrophobicContact CD2-CD2 3.93Å; Y100-W107 AromaticContact CD2-CE2 3.72Å; Y100-W107 HydrophobicContact CD2-CG 4.02Å; Y100-W107 HydrophobicContact CD2-CZ2 4.27Å; Y100-W107 AromaticContact CD2-NE1 3.64Å; Y100-W107 HydrophobicContact CG-CD2 4.37Å; Y100-W107 HydrophobicContact CG-CZ2 4.33Å |
| 108 | K | 98.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.9 | 169.2 | -67.9 | 178 | -176 | 164.3 | 0 | 108.9 | M99 E104 | M99-K108 PolarHBondContact N-O 3.03Å; M99-K108 PolarHBondContact O-N 2.83Å; E104-K108 IonicContact OE1-NZ 2.74Å; E104-K108 PolarHBondContact OE1-NZ 2.78Å; E104-K108 WeakPolarHBondContact OE2-CE 3.31Å; E104-K108 IonicContact OE2-NZ 2.89Å; E104-K108 PolarHBondContact OE2-NZ 3.31Å |
| 109 | K | 98.3 | Very high | 97.4 | Very high | 159 Ų | 159 | 60.8 Ų | 60.8 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 142.3 | 168.6 | -69.2 | -177.5 | 178.8 | 178.2 | 0 | 109 | E98 | E98-K109 HydrophobicContact CG-CG 4.41Å |
| 110 | R | 98.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | trans | -121.9 | 170.2 | 177.1 | -67.2 | -53.5 | -168.9 | 168.1 | -1.6 | 110.5 | V97 M99 M112 Y148 D153 | V97-R110 HydrophobicContact CB-CB 4.28Å; V97-R110 HydrophobicContact CG1-CB 3.96Å; V97-R110 PolarHBondContact O-N 2.91Å; M99-R110 HydrophobicContact CB-CG 4Å; M99-R110 VanDerWaalsContact CE-NE 3.33Å; R110-M112 PolarHBondContact O-N 2.77Å; R110-Y148 HydrophobicContact CB-CE2 4.42Å; R110-Y148 VanDerWaalsContact CD-OH 3.3Å; R110-Y148 WeakPolarHBondContact CD-OH 3.46Å; R110-D153 VanDerWaalsContact CD-OD2 3.31Å; R110-D153 WeakPolarHBondContact CD-OD2 3.44Å; R110-D153 IonicContact CZ-OD2 3.31Å; R110-D153 IonicContact NH1-OD2 2.69Å; R110-D153 PolarHBondContact NH1-OD2 2.71Å | ||
| 111 | S | 98.2 | Very high | 97.4 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 125 | 173.4 | -77.1 | 0 | 0 | 0 | 0 | 110.6 | V97 D153 W155 | V97-S111 WeakPolarHBondContact CG2-O 3.48Å; S111-D153 WeakPolarHBondContact CB-O 3.33Å; S111-D153 WeakPolarHBondContact CB-OD1 3.49Å; S111-D153 PolarHBondContact N-OD1 2.81Å; S111-D153 PolarHBondContact OG-O 2.92Å; S111-D153 PolarHBondContact OG-OD1 2.87Å; S111-W155 PolarHBondContact O-NE1 2.83Å |
| 112 | M | 98.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 62 Ų | 62 | 50% | 0.498 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 159 | -177.2 | 60.2 | -170.2 | 67.5 | 0 | 0 | 111.9 | K95 R110 | K95-M112 HydrophobicContact CB-CB 4.29Å; K95-M112 HydrophobicContact CD-CB 4.34Å; K95-M112 HydrophobicContact CD-CG 4.23Å; K95-M112 HydrophobicContact CD-SD 3.47Å; K95-M112 WeakPolarHBondContact CD-SD 3.4Å; K95-M112 WeakPolarHBondContact CE-SD 3.33Å; K95-M112 HydrophobicContact CG-CB 4.12Å; K95-M112 HydrophobicContact CG-SD 4.2Å; K95-M112 PolarHBondContact NZ-SD 2.71Å; K95-M112 WeakPolarHBondContact O-CA 3.09Å; K95-M112 VanDerWaalsContact O-CB 3.27Å; K95-M112 WeakPolarHBondContact O-CB 3.29Å; R110-M112 PolarHBondContact O-N 2.77Å |
| 113 | L | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59 | 151.2 | 166.4 | -62.2 | 169.8 | 0 | 0 | 0 | 110 | I84 K95 V97 E115 I120 W155 | I84-L113 HydrophobicContact CG2-CD1 3.82Å; I84-L113 HydrophobicContact CG2-CD2 3.9Å; I84-L113 HydrophobicContact CG2-CG 4.09Å; K95-L113 HydrophobicContact CB-CB 4.27Å; K95-L113 PolarHBondContact O-N 2.81Å; V97-L113 HydrophobicContact CG2-CG 4.14Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 VanDerWaalsContact CB-O 3.32Å; L113-E115 WeakPolarHBondContact CB-O 3.46Å; L113-E115 PolarHBondContact O-N 2.99Å; L113-I120 HydrophobicContact CD1-CD1 3.42Å; L113-I120 VanDerWaalsContact CD1-CD1 3.42Å; L113-W155 HydrophobicContact CD2-CD2 4.26Å; L113-W155 HydrophobicContact CD2-CE3 4.5Å; L113-W155 HydrophobicContact CD2-CH2 4Å; L113-W155 HydrophobicContact CD2-CZ2 3.73Å; L113-W155 HydrophobicContact CD2-CZ3 4.38Å |
| 114 | R | 93.1 | Very high | 97.3 | Very high | 188 Ų | 188 | 56.5 Ų | 56.5 | 71% | 0.709 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -61.5 | -40.7 | 175.8 | -173.2 | -179.1 | -175.1 | -143.5 | 4.5 | 111.8 | ||
| 115 | E | 94.5 | Very high | 97.1 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -129.2 | 145.8 | 179.8 | -71.1 | 168.7 | -148.1 | 0 | 0 | 109 | L113 H142 H144 | L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 VanDerWaalsContact CB-O 3.32Å; L113-E115 WeakPolarHBondContact CB-O 3.46Å; L113-E115 PolarHBondContact O-N 2.99Å; E115-H142 IonicContact OE2-CE1 3.81Å; E115-H142 IonicContact OE2-NE2 3.84Å; E115-H144 IonicContact OE1-CE1 2.71Å; E115-H144 IonicContact OE2-CE1 3.88Å; E115-H144 PolarHBondContact OE2-CE1 2.8Å |
| 116 | A | 97.2 | Very high | 96.7 | Very high | 17 Ų | 17 | 58.5 Ų | 58.5 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | trans | -65.1 | 136 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P93 L94 K95 G136 L137 | P93-A116 HydrophobicContact CB-CB 4.17Å; P93-A116 WeakPolarHBondContact O-CB 3.37Å; L94-A116 WeakPolarHBondContact O-CA 3.35Å; K95-A116 HydrophobicContact CB-CB 4.46Å; A116-G136 WeakPolarHBondContact O-CA 3.29Å; A116-L137 HydrophobicContact CB-CD1 4.34Å; A116-L137 HydrophobicContact CB-CG 4.36Å | ||
| 117 | A | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | trans | -152.4 | 140.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | G86 L94 I120 M135 | G86-A117 PolarHBondContact N-O 2.92Å; L94-A117 PolarHBondContact O-N 2.76Å; A117-I120 HydrophobicContact CB-CD1 3.8Å; A117-I120 HydrophobicContact CB-CG1 3.86Å; A117-M135 WeakPolarHBondContact CA-O 3.38Å | ||
| 118 | M | 96.9 | Very high | 96.2 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -111.2 | 158 | 169.2 | 67.7 | 177.7 | 175 | 0 | 0 | 111.2 | V87 P93 I120 G134 M135 | V87-M118 HydrophobicContact CG2-CB 3.73Å; V87-M118 HydrophobicContact CG2-CG 4.24Å; V87-M118 HydrophobicContact CG2-SD 3.38Å; V87-M118 WeakPolarHBondContact CG2-SD 3.37Å; P93-M118 HydrophobicContact CB-CB 4.38Å; P93-M118 HydrophobicContact CG-CB 4.34Å; P93-M118 HydrophobicContact CG-CG 4.02Å; P93-M118 HydrophobicContact CG-SD 4.19Å; M118-I120 VanDerWaalsContact C-N 3.3Å; M118-I120 PolarHBondContact O-N 2.97Å; M118-G134 CarbonylContact O-C 3.52Å; M118-G134 WeakPolarHBondContact O-CA 3.41Å; M118-M135 HydrophobicContact CE-CE 3.08Å; M118-M135 HydrophobicContact CG-CB 4.48Å; M118-M135 PolarHBondContact N-O 2.87Å; M118-M135 PolarHBondContact O-N 3.37Å |
| 119 | G | 96.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 64.6 | 34.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | A167 | G119-A167 PolarHBondContact O-N 2.87Š|
| 120 | I | 98.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.097 | 25% | 0.25 | C | S | . | . | trans | -71.5 | 139.8 | 172.6 | -61.5 | 167.7 | 0 | 0 | 0 | 108.5 | A73 I84 L113 A117 M118 A131 | A73-I120 HydrophobicContact CB-CB 4.07Å; A73-I120 HydrophobicContact CB-CG2 4.26Å; I84-I120 HydrophobicContact CG2-CD1 3.97Å; L113-I120 HydrophobicContact CD1-CD1 3.42Å; L113-I120 VanDerWaalsContact CD1-CD1 3.42Å; A117-I120 HydrophobicContact CB-CD1 3.8Å; A117-I120 HydrophobicContact CB-CG1 3.86Å; M118-I120 VanDerWaalsContact C-N 3.3Å; M118-I120 PolarHBondContact O-N 2.97Å; I120-A131 HydrophobicContact CG2-CB 3.8Å | ||
| 121 | S | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 138.8 | 168.8 | -147.6 | 0 | 0 | 0 | 0 | 109.7 | A131 A132 A168 S170 | S121-A131 WeakPolarHBondContact O-CA 3.25Å; S121-A132 PolarHBondContact N-O 3.17Å; S121-A132 PolarHBondContact O-N 2.98Å; S121-A168 VanDerWaalsContact CB-O 3.28Å; S121-A168 WeakPolarHBondContact CB-O 3.01Å; S121-A168 PolarHBondContact OG-O 2.82Å; S121-S170 WeakPolarHBondContact CB-OG 3.27Å; S121-S170 VanDerWaalsContact OG-CB 3.27Å; S121-S170 WeakPolarHBondContact OG-CB 3.41Å; S121-S170 PolarHBondContact OG-N 3.07Å; S121-S170 PolarHBondContact OG-OG 2.78Å |
| 122 | V | 97.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139 | -175.3 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | A73 V74 T75 I84 V129 Y130 | A73-V122 HydrophobicContact CB-CB 4.11Å; A73-V122 HydrophobicContact CB-CG1 3.88Å; V74-V122 WeakPolarHBondContact O-CG1 3.3Å; T75-V122 HydrophobicContact CG2-CG2 4.05Å; I84-V122 HydrophobicContact CD1-CG2 3.94Å; V122-V129 HydrophobicContact CG2-CG1 3.19Å; V122-Y130 VanDerWaalsContact CA-O 3.3Å; V122-Y130 WeakPolarHBondContact CA-O 3.47Å |
| 123 | T | 97.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.7 | 169 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | V129 Y130 L172 I177 | T123-V129 CarbonylContact O-C 3.54Å; T123-Y130 PolarHBondContact N-O 3.08Å; T123-Y130 PolarHBondContact O-N 2.67Å; T123-L172 HydrophobicContact CG2-CB 4.44Å; T123-I177 HydrophobicContact CG2-CG2 4.33Å |
| 124 | A | 96 | Very high | 96.2 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T75 L77 R128 L172 | T75-A124 HydrophobicContact CG2-CB 4.23Å; T75-A124 WeakPolarHBondContact OG1-CB 3.33Å; L77-A124 HydrophobicContact CD2-CB 3.87Å; L77-A124 HydrophobicContact CG-CB 4.37Å; A124-R128 CarbonylContact C-O 3.59Å; A124-R128 VanDerWaalsContact CA-O 3.29Å; A124-R128 WeakPolarHBondContact CA-O 3.38Å; A124-L172 WeakPolarHBondContact O-CD2 3.11Å |
| 125 | K | 93.7 | Very high | 96.3 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 138.6 | 175.6 | -162.2 | -165.3 | 177.4 | -144.5 | 0 | 109.7 | Y127 R128 Y130 L172 G174 I197 | K125-Y127 PolarHBondContact O-N 3.15Å; K125-R128 PolarHBondContact N-O 3.28Å; K125-R128 WeakPolarHBondContact O-CA 3.23Å; K125-R128 WeakPolarHBondContact O-CB 3.2Å; K125-R128 PolarHBondContact O-N 2.95Å; K125-Y130 HydrophobicContact CB-CE2 4.12Å; K125-L172 HydrophobicContact CB-CD2 3.69Å; K125-L172 HydrophobicContact CD-CD1 4.49Å; K125-L172 HydrophobicContact CD-CD2 4.19Å; K125-L172 HydrophobicContact CG-CD2 3.78Å; K125-G174 WeakPolarHBondContact CE-O 3.37Å; K125-I197 HydrophobicContact CD-CD1 3.87Å |
| 126 | D | 89 | Confident | 96.4 | Very high | 107 Ų | 107 | 30.4 Ų | 30.4 | 57% | 0.572 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 51.1 | 168.4 | -51.2 | -32.1 | 0 | 0 | 0 | 114.1 | R128 | D126-R128 PolarHBondContact O-N 2.66Š|
| 127 | Y | 90.2 | Very high | 96.2 | Very high | 169 Ų | 169 | 34.5 Ų | 34.5 | 66% | 0.663 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 18.3 | -176.8 | -56.2 | -87.7 | 0 | 0 | 0 | 115.6 | K125 M150 | K125-Y127 PolarHBondContact O-N 3.15Å; Y127-M150 VanDerWaalsContact O-CB 3.23Å; Y127-M150 WeakPolarHBondContact O-CB 3.34Å; Y127-M150 WeakPolarHBondContact O-CG 3.07Å; Y127-M150 PolarHBondContact O-N 2.86Å |
| 128 | R | 95.7 | Very high | 96 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.6 | 173 | -65.3 | 177.9 | 177.2 | 135.5 | 2.9 | 110.5 | A124 K125 D126 Y130 Y148 | A124-R128 CarbonylContact C-O 3.59Å; A124-R128 VanDerWaalsContact CA-O 3.29Å; A124-R128 WeakPolarHBondContact CA-O 3.38Å; K125-R128 PolarHBondContact N-O 3.28Å; K125-R128 WeakPolarHBondContact O-CA 3.23Å; K125-R128 WeakPolarHBondContact O-CB 3.2Å; K125-R128 PolarHBondContact O-N 2.95Å; D126-R128 PolarHBondContact O-N 2.66Å; R128-Y130 HydrophobicContact CB-CD2 4.48Å; R128-Y130 HydrophobicContact CB-CE2 3.74Å; R128-Y148 VanDerWaalsContact CA-O 3.32Å; R128-Y148 WeakPolarHBondContact CA-O 3.31Å |
| 129 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.7 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | T75 L77 M82 I84 V122 T123 H147 Y148 | T75-V129 HydrophobicContact CG2-CB 4.36Å; T75-V129 HydrophobicContact CG2-CG1 3.67Å; T75-V129 HydrophobicContact CG2-CG2 3.76Å; L77-V129 HydrophobicContact CD1-CG2 3.33Å; L77-V129 HydrophobicContact CG-CG2 4.07Å; M82-V129 HydrophobicContact CE-CG2 4.3Å; M82-V129 HydrophobicContact SD-CB 4.23Å; M82-V129 HydrophobicContact SD-CG1 4.38Å; M82-V129 HydrophobicContact SD-CG2 3.79Å; I84-V129 HydrophobicContact CD1-CG1 3.72Å; V122-V129 HydrophobicContact CG2-CG1 3.19Å; T123-V129 CarbonylContact O-C 3.54Å; V129-H147 CarbonylContact O-C 3.59Å; V129-H147 WeakPolarHBondContact O-CA 3.39Å; V129-Y148 PolarHBondContact N-O 2.93Å; V129-Y148 PolarHBondContact O-N 3.45Å |
| 130 | Y | 98.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.7 | 179.2 | -61.8 | -96.9 | 0 | 0 | 0 | 109.2 | V122 T123 K125 R128 Q146 H147 L158 I177 I197 | V122-Y130 VanDerWaalsContact CA-O 3.3Å; V122-Y130 WeakPolarHBondContact CA-O 3.47Å; T123-Y130 PolarHBondContact N-O 3.08Å; T123-Y130 PolarHBondContact O-N 2.67Å; K125-Y130 HydrophobicContact CB-CE2 4.12Å; R128-Y130 HydrophobicContact CB-CD2 4.48Å; R128-Y130 HydrophobicContact CB-CE2 3.74Å; Y130-Q146 CarbonylContact C-O 3.47Å; Y130-Q146 WeakPolarHBondContact CA-O 3.19Å; Y130-H147 HydrophobicContact CD1-CB 3.64Å; Y130-H147 HydrophobicContact CE1-CB 3.7Å; Y130-H147 HydrophobicContact CG-CB 4.21Å; Y130-L158 HydrophobicContact CD1-CD1 3.89Å; Y130-L158 HydrophobicContact CE1-CD1 3.89Å; Y130-I177 HydrophobicContact CD1-CD1 3.54Å; Y130-I177 HydrophobicContact CD2-CD1 3.97Å; Y130-I177 HydrophobicContact CE1-CD1 4.21Å; Y130-I177 HydrophobicContact CG-CD1 3.4Å; Y130-I177 VanDerWaalsContact CG-CD1 3.4Å; Y130-I197 HydrophobicContact CE1-CD1 4.18Å; Y130-I197 HydrophobicContact CE1-CG1 3.99Å; Y130-I197 HydrophobicContact CE1-CG2 4.47Å; Y130-I197 HydrophobicContact CE2-CD1 3.9Å; Y130-I197 VanDerWaalsContact OH-CG2 3.31Å; Y130-I197 WeakPolarHBondContact OH-CG2 3.41Å |
| 131 | A | 98.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.3 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | I120 S121 L145 Q146 W155 | I120-A131 HydrophobicContact CG2-CB 3.8Å; S121-A131 WeakPolarHBondContact O-CA 3.25Å; A131-L145 WeakPolarHBondContact O-CA 3.43Å; A131-Q146 PolarHBondContact N-O 3.18Å; A131-Q146 PolarHBondContact O-N 3.21Å; A131-W155 HydrophobicContact CB-CH2 3.87Å; A131-W155 HydrophobicContact CB-CZ3 3.62Å |
| 132 | A | 98.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S121 H144 L145 M161 V179 | S121-A132 PolarHBondContact N-O 3.17Å; S121-A132 PolarHBondContact O-N 2.98Å; A132-H144 CarbonylContact C-O 3.56Å; A132-H144 WeakPolarHBondContact CA-O 3.33Å; A132-L145 HydrophobicContact CB-CD1 3.96Å; A132-M161 HydrophobicContact CB-SD 4.01Å; A132-V179 HydrophobicContact CB-CG2 4.43Å |
| 133 | G | 97.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | trans | 73 | -140.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H144 R165 | G133-H144 PolarHBondContact N-O 3.21Å; G133-R165 VanDerWaalsContact CA-O 3.29Å; G133-R165 WeakPolarHBondContact CA-O 3.44Å | ||
| 134 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 104 | 173.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M118 H142 R165 | M118-G134 CarbonylContact O-C 3.52Å; M118-G134 WeakPolarHBondContact O-CA 3.41Å; G134-H142 PolarHBondContact O-N 3.31Å; G134-R165 PolarHBondContact N-O 3.28Å | ||
| 135 | M | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 128.6 | 177.8 | -176.5 | 164.5 | 73.6 | 0 | 0 | 110 | A117 M118 L139 R140 Y166 | A117-M135 WeakPolarHBondContact CA-O 3.38Å; M118-M135 HydrophobicContact CE-CE 3.08Å; M118-M135 HydrophobicContact CG-CB 4.48Å; M118-M135 PolarHBondContact N-O 2.87Å; M118-M135 PolarHBondContact O-N 3.37Å; M135-L139 HydrophobicContact CE-CD2 4.42Å; M135-L139 HydrophobicContact SD-CB 4.49Å; M135-L139 VanDerWaalsContact SD-O 3.39Å; M135-R140 WeakPolarHBondContact CA-O 3.39Å; M135-Y166 HydrophobicContact CB-CD1 3.94Å; M135-Y166 HydrophobicContact CB-CD2 4.26Å; M135-Y166 HydrophobicContact CB-CG 3.74Å; M135-Y166 HydrophobicContact CE-CD2 4.44Å; M135-Y166 HydrophobicContact CE-CE1 4.18Å; M135-Y166 HydrophobicContact CE-CE2 4.08Å; M135-Y166 HydrophobicContact CG-CD1 4.43Å; M135-Y166 HydrophobicContact SD-CD1 3.84Å; M135-Y166 HydrophobicContact SD-CE1 3.63Å; M135-Y166 HydrophobicContact SD-CG 4.38Å |
| 136 | G | 94.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -81.7 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A116 D138 L139 R140 H142 | A116-G136 WeakPolarHBondContact O-CA 3.29Å; G136-D138 PolarHBondContact O-N 3.23Å; G136-L139 PolarHBondContact O-N 2.88Å; G136-L139 VanDerWaalsContact O-N 3.1Å; G136-R140 PolarHBondContact N-O 3.02Å; G136-H142 WeakPolarHBondContact CA-NE2 3.47Å; G136-H142 PolarHBondContact N-CE1 3.37Å; G136-H142 PolarHBondContact N-NE2 2.94Å | ||
| 137 | L | 94.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29 | 177.4 | -70.5 | 164.3 | 0 | 0 | 0 | 112.9 | L92 A116 L139 | L92-L137 HydrophobicContact CB-CD2 3.76Å; L92-L137 HydrophobicContact CD1-CD2 4.1Å; L92-L137 HydrophobicContact CD2-CD2 3.89Å; L92-L137 HydrophobicContact CG-CD2 4.13Å; A116-L137 HydrophobicContact CB-CD1 4.34Å; A116-L137 HydrophobicContact CB-CG 4.36Å; L137-L139 PolarHBondContact O-N 2.98Å |
| 138 | D | 93.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 48% | 0.476 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 6.4 | 177.9 | 67.2 | -10.9 | 0 | 0 | 0 | 113.3 | G136 R140 | G136-D138 PolarHBondContact O-N 3.23Å; D138-R140 HydrophobicContact CB-CG 4.34Å; D138-R140 PolarHBondContact O-N 2.73Å; D138-R140 WeakPolarHBondContact OD1-CB 3.05Å; D138-R140 PolarHBondContact OD1-N 3.35Å; D138-R140 WeakPolarHBondContact OD2-CB 3.37Å; D138-R140 WeakPolarHBondContact OD2-CD 3.38Å; D138-R140 VanDerWaalsContact OD2-CG 3.27Å; D138-R140 WeakPolarHBondContact OD2-CG 3.34Å; D138-R140 IonicContact OD2-NE 3.74Å |
| 139 | L | 91.4 | Very high | 96.5 | Very high | 114 Ų | 114 | 33.8 Ų | 33.8 | 60% | 0.597 | 17% | 0.17 | S | C | * | . | S | Bend | trans | 60.8 | 18.6 | -176.6 | -50.6 | 176.4 | 0 | 0 | 0 | 113.6 | M135 G136 L137 | M135-L139 HydrophobicContact CE-CD2 4.42Å; M135-L139 HydrophobicContact SD-CB 4.49Å; M135-L139 VanDerWaalsContact SD-O 3.39Å; G136-L139 PolarHBondContact O-N 2.88Å; G136-L139 VanDerWaalsContact O-N 3.1Å; L137-L139 PolarHBondContact O-N 2.98Å |
| 140 | R | 93.4 | Very high | 96.3 | Very high | 169 Ų | 169 | 34.9 Ų | 34.9 | 64% | 0.638 | 18% | 0.176 | S | C | * | . | P | Polyproline II helix | trans | -90.4 | 130.9 | 177.2 | -62.9 | -171.2 | -176.3 | 175.9 | -2.6 | 110.5 | M135 G136 D138 H142 | M135-R140 WeakPolarHBondContact CA-O 3.39Å; G136-R140 PolarHBondContact N-O 3.02Å; D138-R140 HydrophobicContact CB-CG 4.34Å; D138-R140 PolarHBondContact O-N 2.73Å; D138-R140 WeakPolarHBondContact OD1-CB 3.05Å; D138-R140 PolarHBondContact OD1-N 3.35Å; D138-R140 WeakPolarHBondContact OD2-CB 3.37Å; D138-R140 WeakPolarHBondContact OD2-CD 3.38Å; D138-R140 VanDerWaalsContact OD2-CG 3.27Å; D138-R140 WeakPolarHBondContact OD2-CG 3.34Å; D138-R140 IonicContact OD2-NE 3.74Å; R140-H142 PolarHBondContact O-CD2 3.49Å; R140-H142 VanDerWaalsContact O-CD2 3.31Å |
| 141 | P | 96.5 | Very high | 96 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 134 | 171.3 | 28.2 | -32.3 | 0 | 0 | 0 | 109.7 | P164 Y166 Q184 | P141-P164 HydrophobicContact CB-CB 4.36Å; P141-P164 HydrophobicContact CG-CB 4.4Å; P141-P164 VanDerWaalsContact O-CB 3.28Å; P141-P164 WeakPolarHBondContact O-CB 3.39Å; P141-Y166 HydrophobicContact CB-CD1 4.36Å; P141-Q184 HydrophobicContact CB-CG 4.3Å; P141-Q184 HydrophobicContact CG-CB 4.25Å; P141-Q184 HydrophobicContact CG-CG 3.88Å |
| 142 | H | 96.9 | Very high | 95.9 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -88.9 | 147.9 | 179.6 | -59.3 | 164.1 | 0 | 0 | 0 | 111.4 | E115 G134 G136 R140 H144 M161 P164 R165 | E115-H142 IonicContact OE2-CE1 3.81Å; E115-H142 IonicContact OE2-NE2 3.84Å; G134-H142 PolarHBondContact O-N 3.31Å; G136-H142 WeakPolarHBondContact CA-NE2 3.47Å; G136-H142 PolarHBondContact N-CE1 3.37Å; G136-H142 PolarHBondContact N-NE2 2.94Å; R140-H142 PolarHBondContact O-CD2 3.49Å; R140-H142 VanDerWaalsContact O-CD2 3.31Å; H142-H144 HydrophobicContact CB-CB 4.38Å; H142-H144 AromaticContact CG-ND1 3.93Å; H142-H144 AromaticContact ND1-ND1 3.87Å; H142-M161 VanDerWaalsContact O-CE 3.32Å; H142-M161 WeakPolarHBondContact O-CE 3.41Å; H142-P164 CarbonylContact O-C 3.42Å; H142-P164 WeakPolarHBondContact O-CA 3.36Å; H142-R165 PolarHBondContact O-N 2.97Å |
| 143 | S | 97.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | trans | -97 | 9.1 | 165.3 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | L145 P160 M161 | S143-L145 PolarHBondContact O-N 2.79Å; S143-P160 CarbonylContact O-C 3.5Å; S143-P160 VanDerWaalsContact O-CA 3.31Å; S143-P160 WeakPolarHBondContact O-CA 3.36Å; S143-P160 WeakPolarHBondContact O-CB 3.34Å; S143-M161 VanDerWaalsContact CB-O 3.24Å; S143-M161 WeakPolarHBondContact CB-O 3.49Å; S143-M161 PolarHBondContact O-N 2.87Å | ||
| 144 | H | 97.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | trans | -61.4 | 132.2 | -174.9 | -61.7 | 157.2 | 0 | 0 | 0 | 111.6 | E115 A132 G133 H142 Q146 | E115-H144 IonicContact OE1-CE1 2.71Å; E115-H144 IonicContact OE2-CE1 3.88Å; E115-H144 PolarHBondContact OE2-CE1 2.8Å; A132-H144 CarbonylContact C-O 3.56Å; A132-H144 WeakPolarHBondContact CA-O 3.33Å; G133-H144 PolarHBondContact N-O 3.21Å; H142-H144 HydrophobicContact CB-CB 4.38Å; H142-H144 AromaticContact CG-ND1 3.93Å; H142-H144 AromaticContact ND1-ND1 3.87Å; H144-Q146 HydrophobicContact CB-CG 4.44Å | ||
| 145 | L | 98 | Very high | 95.8 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.2 | 159.2 | 176.7 | 69.2 | 0 | 0 | 0 | 106.3 | A131 A132 S143 L158 F195 W202 | A131-L145 WeakPolarHBondContact O-CA 3.43Å; A132-L145 HydrophobicContact CB-CD1 3.96Å; S143-L145 PolarHBondContact O-N 2.79Å; L145-L158 HydrophobicContact CB-CB 4.34Å; L145-L158 HydrophobicContact CD2-CB 3.85Å; L145-L158 HydrophobicContact CD2-CD1 3.92Å; L145-L158 HydrophobicContact CG-CB 3.95Å; L145-L158 HydrophobicContact CG-CD1 4.02Å; L145-L158 PolarHBondContact O-N 2.65Å; L145-F195 HydrophobicContact CD2-CB 4.1Å; L145-F195 HydrophobicContact CD2-CD1 3.5Å; L145-F195 VanDerWaalsContact CD2-CD1 3.5Å; L145-F195 HydrophobicContact CD2-CD2 3.6Å; L145-F195 HydrophobicContact CD2-CE1 3.68Å; L145-F195 HydrophobicContact CD2-CE2 3.79Å; L145-F195 HydrophobicContact CD2-CG 3.43Å; L145-F195 VanDerWaalsContact CD2-CG 3.43Å; L145-F195 HydrophobicContact CD2-CZ 3.81Å; L145-W202 HydrophobicContact CB-CZ2 4.11Å; L145-W202 HydrophobicContact CD2-CH2 4.48Å; L145-W202 HydrophobicContact CD2-CZ2 3.63Å; L145-W202 HydrophobicContact CG-CZ2 4.29Å |
| 146 | Q | 97.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.3 | 179.8 | -52.6 | -173.4 | -56 | 0 | 0 | 108.5 | Y130 A131 H144 W155 V156 S157 | Y130-Q146 CarbonylContact C-O 3.47Å; Y130-Q146 WeakPolarHBondContact CA-O 3.19Å; A131-Q146 PolarHBondContact N-O 3.18Å; A131-Q146 PolarHBondContact O-N 3.21Å; H144-Q146 HydrophobicContact CB-CG 4.44Å; Q146-W155 HydrophobicContact CB-CE3 3.82Å; Q146-W155 HydrophobicContact CB-CZ3 4.34Å; Q146-V156 CarbonylContact C-O 3.57Å; Q146-V156 VanDerWaalsContact CA-O 3.32Å; Q146-V156 WeakPolarHBondContact CA-O 3.48Å; Q146-S157 PolarHBondContact NE2-OG 2.83Å |
| 147 | H | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.8 | 166.6 | 75.1 | -92.7 | 0 | 0 | 0 | 111.1 | V129 Y130 W155 V156 L158 | V129-H147 CarbonylContact O-C 3.59Å; V129-H147 WeakPolarHBondContact O-CA 3.39Å; Y130-H147 HydrophobicContact CD1-CB 3.64Å; Y130-H147 HydrophobicContact CE1-CB 3.7Å; Y130-H147 HydrophobicContact CG-CB 4.21Å; H147-W155 CarbonylContact O-C 3.58Å; H147-W155 WeakPolarHBondContact O-CA 3.22Å; H147-V156 VanDerWaalsContact CE1-CB 3.44Å; H147-V156 WeakPolarHBondContact CE1-CB 3.35Å; H147-V156 PolarHBondContact N-O 3.24Å; H147-V156 PolarHBondContact O-N 2.78Å; H147-L158 HydrophobicContact CB-CD1 4.21Å; H147-L158 WeakPolarHBondContact ND1-CD2 3.17Å |
| 148 | Y | 98 | Very high | 96 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.3 | 170.7 | -178.6 | -98.8 | 0 | 0 | 0 | 109 | M82 R110 R128 V129 M150 D153 M154 W155 | M82-Y148 HydrophobicContact CE-CD1 3.49Å; M82-Y148 VanDerWaalsContact CE-CD1 3.49Å; M82-Y148 HydrophobicContact CE-CE1 3.34Å; M82-Y148 HydrophobicContact CE-CG 4.3Å; M82-Y148 HydrophobicContact SD-CD1 4.19Å; R110-Y148 HydrophobicContact CB-CE2 4.42Å; R110-Y148 VanDerWaalsContact CD-OH 3.3Å; R110-Y148 WeakPolarHBondContact CD-OH 3.46Å; R128-Y148 VanDerWaalsContact CA-O 3.32Å; R128-Y148 WeakPolarHBondContact CA-O 3.31Å; V129-Y148 PolarHBondContact N-O 2.93Å; V129-Y148 PolarHBondContact O-N 3.45Å; Y148-M150 HydrophobicContact CD1-CG 4.07Å; Y148-M150 HydrophobicContact CD1-SD 3.84Å; Y148-M150 HydrophobicContact CE1-CB 4.49Å; Y148-M150 HydrophobicContact CE1-CG 4.06Å; Y148-M150 HydrophobicContact CE1-SD 3.46Å; Y148-M150 WeakPolarHBondContact CE1-SD 2.89Å; Y148-D153 WeakPolarHBondContact CE2-OD1 3.39Å; Y148-D153 VanDerWaalsContact CZ-OD1 3.3Å; Y148-D153 WeakPolarHBondContact OH-CA 3.38Å; Y148-D153 PolarHBondContact OH-OD1 2.9Å; Y148-M154 WeakPolarHBondContact CA-O 3.49Å; Y148-W155 AromaticContact CD2-CD1 3.95Å; Y148-W155 HydrophobicContact CD2-CD2 4Å; Y148-W155 AromaticContact CD2-CE2 3.64Å; Y148-W155 HydrophobicContact CD2-CG 4.2Å; Y148-W155 HydrophobicContact CD2-CZ2 4.07Å; Y148-W155 AromaticContact CD2-NE1 3.58Å; Y148-W155 HydrophobicContact CG-CD2 4.47Å; Y148-W155 HydrophobicContact CG-CZ2 4.26Å |
| 149 | D | 95.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.4 | 171.3 | -172.2 | -50.4 | 0 | 0 | 0 | 108.9 | L151 K152 D153 M154 | D149-L151 VanDerWaalsContact C-N 3.28Å; D149-L151 PolarHBondContact O-N 2.8Å; D149-L151 PolarHBondContact OD1-N 2.95Å; D149-K152 HydrophobicContact CB-CB 4.31Å; D149-K152 PolarHBondContact O-N 3.09Å; D149-K152 PolarHBondContact OD1-N 3.25Å; D149-K152 VanDerWaalsContact OD1-N 3.12Å; D149-D153 WeakPolarHBondContact O-CA 3.18Å; D149-D153 PolarHBondContact O-N 3.42Å; D149-M154 HydrophobicContact CB-CG 4.42Å; D149-M154 PolarHBondContact N-O 2.81Å; D149-M154 PolarHBondContact O-N 3.12Å |
| 150 | M | 93.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.4 | -176.7 | -77 | -75.3 | -59.8 | 0 | 0 | 114.4 | L77 M82 M99 Y127 Y148 | L77-M150 HydrophobicContact CD1-CE 4.06Å; L77-M150 HydrophobicContact CD1-CG 3.47Å; L77-M150 VanDerWaalsContact CD1-CG 3.47Å; L77-M150 HydrophobicContact CD1-SD 3.37Å; L77-M150 WeakPolarHBondContact CD1-SD 3.5Å; M82-M150 HydrophobicContact CE-SD 3.52Å; M82-M150 VanDerWaalsContact CE-SD 3.52Å; M99-M150 HydrophobicContact CE-CE 3.95Å; M99-M150 HydrophobicContact SD-CE 3.6Å; M99-M150 VanDerWaalsContact SD-CE 3.6Å; M99-M150 HydrophobicContact SD-SD 4.01Å; Y127-M150 VanDerWaalsContact O-CB 3.23Å; Y127-M150 WeakPolarHBondContact O-CB 3.34Å; Y127-M150 WeakPolarHBondContact O-CG 3.07Å; Y127-M150 PolarHBondContact O-N 2.86Å; Y148-M150 HydrophobicContact CD1-CG 4.07Å; Y148-M150 HydrophobicContact CD1-SD 3.84Å; Y148-M150 HydrophobicContact CE1-CB 4.49Å; Y148-M150 HydrophobicContact CE1-CG 4.06Å; Y148-M150 HydrophobicContact CE1-SD 3.46Å; Y148-M150 WeakPolarHBondContact CE1-SD 2.89Å |
| 151 | L | 91.9 | Very high | 96.8 | Very high | 159 Ų | 159 | 46 Ų | 46 | 83% | 0.832 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -36 | -176.7 | -61.7 | 177.6 | 0 | 0 | 0 | 110.8 | D149 | D149-L151 VanDerWaalsContact C-N 3.28Å; D149-L151 PolarHBondContact O-N 2.8Å; D149-L151 PolarHBondContact OD1-N 2.95Å |
| 152 | K | 95.4 | Very high | 96.9 | Very high | 146 Ų | 146 | 47.1 Ų | 47.1 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.1 | -178.1 | -63.9 | 179.7 | -177.5 | 177.5 | 0 | 114 | D149 M154 | D149-K152 HydrophobicContact CB-CB 4.31Å; D149-K152 PolarHBondContact O-N 3.09Å; D149-K152 PolarHBondContact OD1-N 3.25Å; D149-K152 VanDerWaalsContact OD1-N 3.12Å; K152-M154 HydrophobicContact CB-CG 3.77Å; K152-M154 HydrophobicContact CB-SD 3.89Å; K152-M154 HydrophobicContact CD-SD 3.97Å; K152-M154 PolarHBondContact O-N 2.92Å |
| 153 | D | 96.6 | Very high | 96.9 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 23% | 0.225 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 55.2 | -173.4 | -162.5 | -10.4 | 0 | 0 | 0 | 111.5 | R110 S111 Y148 D149 | R110-D153 VanDerWaalsContact CD-OD2 3.31Å; R110-D153 WeakPolarHBondContact CD-OD2 3.44Å; R110-D153 IonicContact CZ-OD2 3.31Å; R110-D153 IonicContact NH1-OD2 2.69Å; R110-D153 PolarHBondContact NH1-OD2 2.71Å; S111-D153 WeakPolarHBondContact CB-O 3.33Å; S111-D153 WeakPolarHBondContact CB-OD1 3.49Å; S111-D153 PolarHBondContact N-OD1 2.81Å; S111-D153 PolarHBondContact OG-O 2.92Å; S111-D153 PolarHBondContact OG-OD1 2.87Å; Y148-D153 WeakPolarHBondContact CE2-OD1 3.39Å; Y148-D153 VanDerWaalsContact CZ-OD1 3.3Å; Y148-D153 WeakPolarHBondContact OH-CA 3.38Å; Y148-D153 PolarHBondContact OH-OD1 2.9Å; D149-D153 WeakPolarHBondContact O-CA 3.18Å; D149-D153 PolarHBondContact O-N 3.42Å |
| 154 | M | 97.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.2 | -178.4 | 70.9 | -178.1 | -61.9 | 0 | 0 | 112.8 | Y148 D149 K152 V156 | Y148-M154 WeakPolarHBondContact CA-O 3.49Å; D149-M154 HydrophobicContact CB-CG 4.42Å; D149-M154 PolarHBondContact N-O 2.81Å; D149-M154 PolarHBondContact O-N 3.12Å; K152-M154 HydrophobicContact CB-CG 3.77Å; K152-M154 HydrophobicContact CB-SD 3.89Å; K152-M154 HydrophobicContact CD-SD 3.97Å; K152-M154 PolarHBondContact O-N 2.92Å; M154-V156 HydrophobicContact CE-CG2 4.39Å; M154-V156 HydrophobicContact CG-CG2 4.39Å |
| 155 | W | 98.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.6 | 171.8 | -69.5 | 93.6 | 0 | 0 | 0 | 110.7 | I84 V97 S111 L113 A131 Q146 H147 Y148 | I84-W155 HydrophobicContact CD1-CH2 3.97Å; I84-W155 HydrophobicContact CD1-CZ2 4.37Å; I84-W155 HydrophobicContact CG1-CH2 4.43Å; I84-W155 HydrophobicContact CG1-CZ2 4.37Å; I84-W155 HydrophobicContact CG2-CH2 4.46Å; I84-W155 HydrophobicContact CG2-CZ2 4.45Å; V97-W155 HydrophobicContact CG1-CZ2 4.46Å; V97-W155 HydrophobicContact CG2-CZ2 3.92Å; S111-W155 PolarHBondContact O-NE1 2.83Å; L113-W155 HydrophobicContact CD2-CD2 4.26Å; L113-W155 HydrophobicContact CD2-CE3 4.5Å; L113-W155 HydrophobicContact CD2-CH2 4Å; L113-W155 HydrophobicContact CD2-CZ2 3.73Å; L113-W155 HydrophobicContact CD2-CZ3 4.38Å; A131-W155 HydrophobicContact CB-CH2 3.87Å; A131-W155 HydrophobicContact CB-CZ3 3.62Å; Q146-W155 HydrophobicContact CB-CE3 3.82Å; Q146-W155 HydrophobicContact CB-CZ3 4.34Å; H147-W155 CarbonylContact O-C 3.58Å; H147-W155 WeakPolarHBondContact O-CA 3.22Å; Y148-W155 AromaticContact CD2-CD1 3.95Å; Y148-W155 HydrophobicContact CD2-CD2 4Å; Y148-W155 AromaticContact CD2-CE2 3.64Å; Y148-W155 HydrophobicContact CD2-CG 4.2Å; Y148-W155 HydrophobicContact CD2-CZ2 4.07Å; Y148-W155 AromaticContact CD2-NE1 3.58Å; Y148-W155 HydrophobicContact CG-CD2 4.47Å; Y148-W155 HydrophobicContact CG-CZ2 4.26Å |
| 156 | V | 97.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 47 Ų | 47 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.9 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | Q146 H147 M154 | Q146-V156 CarbonylContact C-O 3.57Å; Q146-V156 VanDerWaalsContact CA-O 3.32Å; Q146-V156 WeakPolarHBondContact CA-O 3.48Å; H147-V156 VanDerWaalsContact CE1-CB 3.44Å; H147-V156 WeakPolarHBondContact CE1-CB 3.35Å; H147-V156 PolarHBondContact N-O 3.24Å; H147-V156 PolarHBondContact O-N 2.78Å; M154-V156 HydrophobicContact CE-CG2 4.39Å; M154-V156 HydrophobicContact CG-CG2 4.39Å |
| 157 | S | 97.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.1 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | Q146 | Q146-S157 PolarHBondContact NE2-OG 2.83Å |
| 158 | L | 97.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | trans | -111.9 | 179.7 | 174.5 | -63.1 | 177 | 0 | 0 | 0 | 109.9 | Y130 L145 H147 F195 | Y130-L158 HydrophobicContact CD1-CD1 3.89Å; Y130-L158 HydrophobicContact CE1-CD1 3.89Å; L145-L158 HydrophobicContact CB-CB 4.34Å; L145-L158 HydrophobicContact CD2-CB 3.85Å; L145-L158 HydrophobicContact CD2-CD1 3.92Å; L145-L158 HydrophobicContact CG-CB 3.95Å; L145-L158 HydrophobicContact CG-CD1 4.02Å; L145-L158 PolarHBondContact O-N 2.65Å; H147-L158 HydrophobicContact CB-CD1 4.21Å; H147-L158 WeakPolarHBondContact ND1-CD2 3.17Å; L158-F195 HydrophobicContact CB-CZ 4.21Å; L158-F195 HydrophobicContact CD1-CE1 3.88Å; L158-F195 HydrophobicContact CD1-CZ 4.08Å | ||
| 159 | A | 97.6 | Very high | 96.6 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -55.9 | 129.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | F195 W202 | A159-F195 HydrophobicContact CB-CE2 4.2Å; A159-W202 PolarHBondContact O-NE1 3.15Å |
| 160 | P | 98.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 51 Ų | 51 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 150.1 | -174.7 | 28.3 | -35.2 | 0 | 0 | 0 | 111.8 | S143 W202 | S143-P160 CarbonylContact O-C 3.5Å; S143-P160 VanDerWaalsContact O-CA 3.31Å; S143-P160 WeakPolarHBondContact O-CA 3.36Å; S143-P160 WeakPolarHBondContact O-CB 3.34Å; P160-W202 VanDerWaalsContact O-CD1 3.29Å; P160-W202 PolarHBondContact O-NE1 3.16Å |
| 161 | M | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 134.3 | 171 | -62 | -168.4 | -62.9 | 0 | 0 | 110.3 | A132 H142 S143 T163 R165 V179 W202 | A132-M161 HydrophobicContact CB-SD 4.01Å; H142-M161 VanDerWaalsContact O-CE 3.32Å; H142-M161 WeakPolarHBondContact O-CE 3.41Å; S143-M161 VanDerWaalsContact CB-O 3.24Å; S143-M161 WeakPolarHBondContact CB-O 3.49Å; S143-M161 PolarHBondContact O-N 2.87Å; M161-T163 PolarHBondContact O-N 2.74Å; M161-R165 HydrophobicContact CE-CG 3.97Å; M161-R165 HydrophobicContact SD-CG 4.49Å; M161-V179 HydrophobicContact SD-CG1 4.07Å; M161-W202 HydrophobicContact CB-CH2 4.31Å; M161-W202 HydrophobicContact CB-CZ2 4.08Å; M161-W202 HydrophobicContact CG-CH2 3.56Å; M161-W202 HydrophobicContact CG-CZ2 3.46Å; M161-W202 VanDerWaalsContact CG-CZ2 3.46Å; M161-W202 HydrophobicContact CG-CZ3 4.5Å; M161-W202 HydrophobicContact SD-CH2 4.38Å |
| 162 | P | 98.1 | Very high | 97 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -60.7 | -29.3 | 178 | -24.6 | 29.8 | 0 | 0 | 0 | 114.7 | E193 W202 K204 | P162-E193 VanDerWaalsContact CD-OE2 3.3Å; P162-E193 WeakPolarHBondContact CD-OE2 3.23Å; P162-W202 HydrophobicContact CG-CB 3.82Å; P162-W202 HydrophobicContact CG-CD2 4.31Å; P162-W202 HydrophobicContact CG-CG 3.98Å; P162-K204 HydrophobicContact CB-CD 4.46Å; P162-K204 HydrophobicContact CG-CG 4.45Å |
| 163 | T | 97.5 | Very high | 97 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -120.1 | 113.6 | 176 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | M161 R165 V189 A191 E193 | M161-T163 PolarHBondContact O-N 2.74Å; T163-R165 VanDerWaalsContact CB-NH1 3.32Å; T163-R165 PolarHBondContact O-N 3.49Å; T163-R165 PolarHBondContact O-NH1 3.29Å; T163-V189 HydrophobicContact CG2-CG1 4.17Å; T163-A191 HydrophobicContact CG2-CB 4.38Å; T163-E193 WeakPolarHBondContact CB-OE1 3.01Å; T163-E193 PolarHBondContact N-OE1 3.18Å; T163-E193 PolarHBondContact N-OE2 3.09Å; T163-E193 PolarHBondContact OG1-OE1 3.07Å |
| 164 | P | 97.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 29% | 0.286 | 28% | 0.277 | S | S | . | . | trans | -60.4 | 131.6 | 176.7 | -17.6 | 25.8 | 0 | 0 | 0 | 111.9 | P141 H142 Q184 | P141-P164 HydrophobicContact CB-CB 4.36Å; P141-P164 HydrophobicContact CG-CB 4.4Å; P141-P164 VanDerWaalsContact O-CB 3.28Å; P141-P164 WeakPolarHBondContact O-CB 3.39Å; H142-P164 CarbonylContact O-C 3.42Å; H142-P164 WeakPolarHBondContact O-CA 3.36Å; P164-Q184 WeakPolarHBondContact O-CG 3.36Å; P164-Q184 PolarHBondContact O-NE2 3.46Å | ||
| 165 | R | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -162.2 | 156 | -177 | 55.6 | -177.5 | 169.8 | -90.6 | 8.3 | 113.4 | G133 G134 H142 M161 T163 A168 V179 G181 R183 E193 | G133-R165 VanDerWaalsContact CA-O 3.29Å; G133-R165 WeakPolarHBondContact CA-O 3.44Å; G134-R165 PolarHBondContact N-O 3.28Å; H142-R165 PolarHBondContact O-N 2.97Å; M161-R165 HydrophobicContact CE-CG 3.97Å; M161-R165 HydrophobicContact SD-CG 4.49Å; T163-R165 VanDerWaalsContact CB-NH1 3.32Å; T163-R165 PolarHBondContact O-N 3.49Å; T163-R165 PolarHBondContact O-NH1 3.29Å; R165-A168 HydrophobicContact CG-CB 4.19Å; R165-V179 PolarHBondContact NH2-O 2.79Å; R165-G181 WeakPolarHBondContact CD-O 3.3Å; R165-R183 WeakPolarHBondContact CA-O 3.47Å; R165-E193 IonicContact CZ-OE2 3.79Å; R165-E193 VanDerWaalsContact NH1-CD 3.3Å; R165-E193 IonicContact NH1-OE1 2.85Å; R165-E193 IonicContact NH1-OE2 3.87Å; R165-E193 PolarHBondContact NH1-OE2 2.84Å; R165-E193 IonicContact NH2-OE2 2.77Å; R165-E193 PolarHBondContact NH2-OE2 2.87Å | ||
| 166 | Y | 97 | Very high | 96.7 | Very high | 31 Ų | 31 | 44 Ų | 44 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 167.6 | 168.8 | 75.6 | -78.6 | 0 | 0 | 0 | 111.1 | M135 P141 A168 G182 R183 S185 | M135-Y166 HydrophobicContact CB-CD1 3.94Å; M135-Y166 HydrophobicContact CB-CD2 4.26Å; M135-Y166 HydrophobicContact CB-CG 3.74Å; M135-Y166 HydrophobicContact CE-CD2 4.44Å; M135-Y166 HydrophobicContact CE-CE1 4.18Å; M135-Y166 HydrophobicContact CE-CE2 4.08Å; M135-Y166 HydrophobicContact CG-CD1 4.43Å; M135-Y166 HydrophobicContact SD-CD1 3.84Å; M135-Y166 HydrophobicContact SD-CE1 3.63Å; M135-Y166 HydrophobicContact SD-CG 4.38Å; P141-Y166 HydrophobicContact CB-CD1 4.36Å; Y166-A168 PolarHBondContact O-N 2.91Å; Y166-G182 CarbonylContact O-C 3.57Å; Y166-G182 VanDerWaalsContact O-CA 3.27Å; Y166-G182 WeakPolarHBondContact O-CA 3.48Å; Y166-R183 HydrophobicContact CD1-CB 3.91Å; Y166-R183 WeakPolarHBondContact CD1-O 3.34Å; Y166-R183 HydrophobicContact CE1-CB 3.4Å; Y166-R183 VanDerWaalsContact CE1-CB 3.4Å; Y166-R183 HydrophobicContact CE2-CB 4.16Å; Y166-R183 HydrophobicContact CG-CB 4.47Å; Y166-R183 PolarHBondContact N-O 2.86Å; Y166-R183 PolarHBondContact O-N 2.75Å; Y166-R183 PolarHBondContact OH-NE 3.03Å; Y166-S185 PolarHBondContact OH-O 2.82Å |
| 167 | A | 95.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 53 | 34.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G119 G182 | G119-A167 PolarHBondContact O-N 2.87Å; A167-G182 WeakPolarHBondContact O-CA 3.5Å |
| 168 | A | 96.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | trans | -81.2 | 149.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S121 R165 Y166 V179 | S121-A168 VanDerWaalsContact CB-O 3.28Å; S121-A168 WeakPolarHBondContact CB-O 3.01Å; S121-A168 PolarHBondContact OG-O 2.82Å; R165-A168 HydrophobicContact CG-CB 4.19Å; Y166-A168 PolarHBondContact O-N 2.91Å; A168-V179 HydrophobicContact CB-CG1 3.89Å | ||
| 169 | T | 95.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 37.1 Ų | 37.1 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.7 | 170.6 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | V179 L180 F217 | T169-V179 WeakPolarHBondContact O-CA 3.26Å; T169-L180 PolarHBondContact N-O 3.13Å; T169-L180 PolarHBondContact O-N 2.84Å; T169-F217 HydrophobicContact CG2-CB 4.23Å; T169-F217 HydrophobicContact CG2-CD2 4.21Å; T169-F217 WeakPolarHBondContact OG1-CD2 3.01Å |
| 170 | S | 97 | Very high | 96.8 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.2 | 171.4 | 63.2 | 0 | 0 | 0 | 0 | 112 | S121 Y178 | S121-S170 WeakPolarHBondContact CB-OG 3.27Å; S121-S170 VanDerWaalsContact OG-CB 3.27Å; S121-S170 WeakPolarHBondContact OG-CB 3.41Å; S121-S170 PolarHBondContact OG-N 3.07Å; S121-S170 PolarHBondContact OG-OG 2.78Å; S170-Y178 CarbonylContact C-O 3.6Å; S170-Y178 WeakPolarHBondContact CA-O 3.28Å; S170-Y178 WeakPolarHBondContact CB-O 3.39Å |
| 171 | F | 96.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 31.7 Ų | 31.7 | 17% | 0.167 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.6 | 172.4 | 64.2 | -95.6 | 0 | 0 | 0 | 109.9 | Y178 L180 T219 L224 M250 | F171-Y178 HydrophobicContact CD2-CD2 4.02Å; F171-Y178 HydrophobicContact CD2-CG 4.26Å; F171-Y178 HydrophobicContact CE1-CG 4.34Å; F171-Y178 HydrophobicContact CE2-CD1 4.25Å; F171-Y178 AromaticContact CE2-CD2 3.53Å; F171-Y178 HydrophobicContact CE2-CD2 3.53Å; F171-Y178 HydrophobicContact CE2-CE2 4.22Å; F171-Y178 AromaticContact CE2-CG 3.56Å; F171-Y178 HydrophobicContact CE2-CG 3.56Å; F171-Y178 HydrophobicContact CZ-CD1 4.04Å; F171-Y178 HydrophobicContact CZ-CD2 4.1Å; F171-Y178 AromaticContact CZ-CG 3.62Å; F171-Y178 HydrophobicContact CZ-CG 3.62Å; F171-Y178 PolarHBondContact N-O 3.05Å; F171-Y178 VanDerWaalsContact N-O 3.12Å; F171-Y178 PolarHBondContact O-N 3.36Å; F171-L180 HydrophobicContact CD1-CD1 4.07Å; F171-L180 HydrophobicContact CE1-CD1 3.47Å; F171-L180 VanDerWaalsContact CE1-CD1 3.47Å; F171-L180 HydrophobicContact CZ-CD1 4.46Å; F171-T219 HydrophobicContact CD1-CG2 4.07Å; F171-T219 HydrophobicContact CD2-CG2 4.38Å; F171-T219 HydrophobicContact CE1-CG2 3.78Å; F171-T219 HydrophobicContact CE2-CG2 4.14Å; F171-T219 HydrophobicContact CG-CG2 4.35Å; F171-T219 HydrophobicContact CZ-CG2 3.83Å; F171-L224 HydrophobicContact CE1-CD1 3.97Å; F171-L224 HydrophobicContact CE1-CD2 4.41Å; F171-M250 HydrophobicContact CE2-CE 3.76Å; F171-M250 HydrophobicContact CZ-CE 3.63Å; F171-M250 HydrophobicContact CZ-SD 4.32Å |
| 172 | L | 95.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.4 | 178.9 | -175.2 | 76.7 | 0 | 0 | 0 | 110 | T123 A124 K125 I177 I197 | T123-L172 HydrophobicContact CG2-CB 4.44Å; A124-L172 WeakPolarHBondContact O-CD2 3.11Å; K125-L172 HydrophobicContact CB-CD2 3.69Å; K125-L172 HydrophobicContact CD-CD1 4.49Å; K125-L172 HydrophobicContact CD-CD2 4.19Å; K125-L172 HydrophobicContact CG-CD2 3.78Å; L172-I177 HydrophobicContact CD1-CG1 3.77Å; L172-I197 HydrophobicContact CD1-CD1 4.02Å |
| 173 | R | 95 | Very high | 96.3 | Very high | 104 Ų | 104 | 32.3 Ų | 32.3 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 113 | 166.3 | -178.4 | 178.5 | 175.7 | 179.2 | -3.9 | 108.7 | S175 K176 Y178 | R173-S175 PolarHBondContact O-N 3.41Å; R173-K176 PolarHBondContact N-O 2.94Å; R173-K176 PolarHBondContact O-N 3.48Å; R173-Y178 HydrophobicContact CB-CD2 4.4Å; R173-Y178 HydrophobicContact CB-CE2 3.86Å |
| 174 | G | 93.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 34 Ų | 34 | 60% | 0.598 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -121.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K125 | K125-G174 WeakPolarHBondContact CE-O 3.37Š|
| 175 | S | 95.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.1 | 174 | 62.1 | 0 | 0 | 0 | 0 | 114 | R173 D196 I197 E198 | R173-S175 PolarHBondContact O-N 3.41Å; S175-D196 PolarHBondContact OG-OD1 3.37Å; S175-I197 VanDerWaalsContact O-CB 3.31Å; S175-I197 WeakPolarHBondContact O-CB 3.33Å; S175-I197 WeakPolarHBondContact O-CD1 3.44Å; S175-I197 WeakPolarHBondContact O-CG1 3.4Å; S175-I197 PolarHBondContact O-N 3.13Å; S175-E198 WeakPolarHBondContact CB-OE1 3.4Å |
| 176 | K | 97.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127 | -168.7 | -67 | -177.7 | -168.2 | -67.3 | 0 | 111.7 | R173 Y178 V194 F195 D196 | R173-K176 PolarHBondContact N-O 2.94Å; R173-K176 PolarHBondContact O-N 3.48Å; K176-Y178 HydrophobicContact CB-CD2 4.2Å; K176-Y178 HydrophobicContact CB-CE2 3.48Å; K176-Y178 VanDerWaalsContact CB-CE2 3.48Å; K176-Y178 WeakPolarHBondContact O-CD2 3.22Å; K176-V194 HydrophobicContact CB-CG1 3.7Å; K176-V194 HydrophobicContact CD-CG1 4.11Å; K176-V194 HydrophobicContact CG-CG1 4.13Å; K176-F195 CarbonylContact C-O 3.58Å; K176-F195 WeakPolarHBondContact CA-O 3.19Å; K176-D196 HydrophobicContact CG-CB 4.39Å; K176-D196 IonicContact NZ-OD2 3.15Å; K176-D196 PolarHBondContact NZ-OD2 3.19Å |
| 177 | I | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112 | 172.6 | -56.6 | 171.7 | 0 | 0 | 0 | 107.9 | T123 Y130 L172 V179 V194 F195 I197 | T123-I177 HydrophobicContact CG2-CG2 4.33Å; Y130-I177 HydrophobicContact CD1-CD1 3.54Å; Y130-I177 HydrophobicContact CD2-CD1 3.97Å; Y130-I177 HydrophobicContact CE1-CD1 4.21Å; Y130-I177 HydrophobicContact CG-CD1 3.4Å; Y130-I177 VanDerWaalsContact CG-CD1 3.4Å; L172-I177 HydrophobicContact CD1-CG1 3.77Å; I177-V179 HydrophobicContact CG2-CG2 4.08Å; I177-V194 CarbonylContact O-C 3.53Å; I177-V194 WeakPolarHBondContact O-CA 3.38Å; I177-F195 HydrophobicContact CB-CB 4.44Å; I177-F195 HydrophobicContact CD1-CD1 4.34Å; I177-F195 PolarHBondContact N-O 2.87Å; I177-F195 PolarHBondContact O-N 2.88Å; I177-I197 HydrophobicContact CD1-CD1 4.01Å; I177-I197 HydrophobicContact CD1-CG1 4.02Å; I177-I197 HydrophobicContact CG1-CD1 4.04Å; I177-I197 HydrophobicContact CG1-CG1 4.24Å |
| 178 | Y | 97.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.3 | 178.3 | -67.1 | -103.2 | 0 | 0 | 0 | 108.3 | S170 F171 R173 K176 F192 V194 F205 M250 | S170-Y178 CarbonylContact C-O 3.6Å; S170-Y178 WeakPolarHBondContact CA-O 3.28Å; S170-Y178 WeakPolarHBondContact CB-O 3.39Å; F171-Y178 HydrophobicContact CD2-CD2 4.02Å; F171-Y178 HydrophobicContact CD2-CG 4.26Å; F171-Y178 HydrophobicContact CE1-CG 4.34Å; F171-Y178 HydrophobicContact CE2-CD1 4.25Å; F171-Y178 AromaticContact CE2-CD2 3.53Å; F171-Y178 HydrophobicContact CE2-CD2 3.53Å; F171-Y178 HydrophobicContact CE2-CE2 4.22Å; F171-Y178 AromaticContact CE2-CG 3.56Å; F171-Y178 HydrophobicContact CE2-CG 3.56Å; F171-Y178 HydrophobicContact CZ-CD1 4.04Å; F171-Y178 HydrophobicContact CZ-CD2 4.1Å; F171-Y178 AromaticContact CZ-CG 3.62Å; F171-Y178 HydrophobicContact CZ-CG 3.62Å; F171-Y178 PolarHBondContact N-O 3.05Å; F171-Y178 VanDerWaalsContact N-O 3.12Å; F171-Y178 PolarHBondContact O-N 3.36Å; R173-Y178 HydrophobicContact CB-CD2 4.4Å; R173-Y178 HydrophobicContact CB-CE2 3.86Å; K176-Y178 HydrophobicContact CB-CD2 4.2Å; K176-Y178 HydrophobicContact CB-CE2 3.48Å; K176-Y178 VanDerWaalsContact CB-CE2 3.48Å; K176-Y178 WeakPolarHBondContact O-CD2 3.22Å; Y178-F192 AromaticContact CD1-CE2 3.66Å; Y178-F192 HydrophobicContact CD1-CE2 3.66Å; Y178-F192 AromaticContact CD1-CZ 3.79Å; Y178-F192 HydrophobicContact CD1-CZ 3.79Å; Y178-F192 HydrophobicContact CE1-CZ 4.49Å; Y178-F192 HydrophobicContact CG-CE2 4.4Å; Y178-V194 HydrophobicContact CD1-CB 4.37Å; Y178-V194 HydrophobicContact CD1-CG1 4.14Å; Y178-V194 HydrophobicContact CD1-CG2 3.31Å; Y178-V194 HydrophobicContact CD2-CG1 4.3Å; Y178-V194 HydrophobicContact CE1-CG1 4.08Å; Y178-V194 HydrophobicContact CE1-CG2 3.57Å; Y178-V194 HydrophobicContact CE2-CG1 4.2Å; Y178-V194 HydrophobicContact CG-CG1 4.26Å; Y178-V194 HydrophobicContact CG-CG2 4Å; Y178-F205 HydrophobicContact CD1-CE2 4.5Å; Y178-F205 AromaticContact CE1-CE2 3.94Å; Y178-F205 HydrophobicContact CE1-CE2 3.94Å; Y178-M250 HydrophobicContact CD1-CE 3.5Å; Y178-M250 VanDerWaalsContact CD1-CE 3.5Å; Y178-M250 HydrophobicContact CD1-SD 4.45Å; Y178-M250 HydrophobicContact CD2-CE 4.34Å; Y178-M250 HydrophobicContact CE1-CE 3.09Å; Y178-M250 HydrophobicContact CE1-SD 4.2Å; Y178-M250 HydrophobicContact CE2-CE 4.05Å; Y178-M250 HydrophobicContact CG-CE 4.12Å; Y178-M250 VanDerWaalsContact CZ-CE 3.42Å |
| 179 | V | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 122.8 | 180 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | A132 M161 R165 A168 T169 I177 E193 W202 | A132-V179 HydrophobicContact CB-CG2 4.43Å; M161-V179 HydrophobicContact SD-CG1 4.07Å; R165-V179 PolarHBondContact NH2-O 2.79Å; A168-V179 HydrophobicContact CB-CG1 3.89Å; T169-V179 WeakPolarHBondContact O-CA 3.26Å; I177-V179 HydrophobicContact CG2-CG2 4.08Å; V179-E193 PolarHBondContact N-O 2.9Å; V179-E193 PolarHBondContact O-N 2.67Å; V179-W202 HydrophobicContact CG2-CH2 3.97Å; V179-W202 HydrophobicContact CG2-CZ3 4.17Å |
| 180 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.7 | -165.4 | -72.7 | 144.3 | 0 | 0 | 0 | 112.4 | T169 F171 G182 F192 I208 F217 L224 | T169-L180 PolarHBondContact N-O 3.13Å; T169-L180 PolarHBondContact O-N 2.84Å; F171-L180 HydrophobicContact CD1-CD1 4.07Å; F171-L180 HydrophobicContact CE1-CD1 3.47Å; F171-L180 VanDerWaalsContact CE1-CD1 3.47Å; F171-L180 HydrophobicContact CZ-CD1 4.46Å; L180-G182 PolarHBondContact O-N 3.3Å; L180-F192 HydrophobicContact CD1-CE2 4.08Å; L180-F192 HydrophobicContact CD1-CZ 4.49Å; L180-F192 HydrophobicContact CD2-CB 4.02Å; L180-F192 HydrophobicContact CD2-CD1 3.75Å; L180-F192 HydrophobicContact CD2-CD2 3.23Å; L180-F192 HydrophobicContact CD2-CE1 3.92Å; L180-F192 HydrophobicContact CD2-CE2 3.45Å; L180-F192 VanDerWaalsContact CD2-CE2 3.45Å; L180-F192 HydrophobicContact CD2-CG 3.39Å; L180-F192 HydrophobicContact CD2-CZ 3.8Å; L180-F192 HydrophobicContact CG-CD2 3.64Å; L180-F192 HydrophobicContact CG-CE2 3.68Å; L180-F192 HydrophobicContact CG-CG 4.3Å; L180-F192 HydrophobicContact CG-CZ 4.35Å; L180-I208 HydrophobicContact CD2-CD1 4.18Å; L180-I208 HydrophobicContact CD2-CG1 4.39Å; L180-F217 HydrophobicContact CB-CD1 4.48Å; L180-F217 HydrophobicContact CB-CE1 4.22Å; L180-F217 HydrophobicContact CB-CE2 4.46Å; L180-F217 HydrophobicContact CB-CZ 4.22Å; L180-F217 HydrophobicContact CD2-CE1 4.38Å; L180-L224 HydrophobicContact CD1-CD1 4.18Å; L180-L224 HydrophobicContact CD1-CD2 3.54Å; L180-L224 HydrophobicContact CD2-CD2 3.55Å; L180-L224 HydrophobicContact CG-CD2 4.19Å |
| 181 | G | 95.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | 65 | -127.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R165 V189 A191 | R165-G181 WeakPolarHBondContact CD-O 3.3Å; G181-V189 CarbonylContact C-O 3.59Å; G181-V189 VanDerWaalsContact CA-O 3.28Å; G181-V189 WeakPolarHBondContact CA-O 3.32Å; G181-V189 WeakPolarHBondContact O-CB 3.23Å; G181-V189 WeakPolarHBondContact O-CG1 3.14Å; G181-A191 PolarHBondContact N-O 2.81Å | ||
| 182 | G | 94.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | trans | 82.2 | -160 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y166 A167 L180 V189 | Y166-G182 CarbonylContact O-C 3.57Å; Y166-G182 VanDerWaalsContact O-CA 3.27Å; Y166-G182 WeakPolarHBondContact O-CA 3.48Å; A167-G182 WeakPolarHBondContact O-CA 3.5Å; L180-G182 PolarHBondContact O-N 3.3Å; G182-V189 PolarHBondContact O-N 2.91Å | ||
| 183 | R | 93.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.6 | -168.7 | -62.6 | 177 | 64.8 | 98 | 3.5 | 112.1 | R165 Y166 K186 Y187 | R165-R183 WeakPolarHBondContact CA-O 3.47Å; Y166-R183 HydrophobicContact CD1-CB 3.91Å; Y166-R183 WeakPolarHBondContact CD1-O 3.34Å; Y166-R183 HydrophobicContact CE1-CB 3.4Å; Y166-R183 VanDerWaalsContact CE1-CB 3.4Å; Y166-R183 HydrophobicContact CE2-CB 4.16Å; Y166-R183 HydrophobicContact CG-CB 4.47Å; Y166-R183 PolarHBondContact N-O 2.86Å; Y166-R183 PolarHBondContact O-N 2.75Å; Y166-R183 PolarHBondContact OH-NE 3.03Å; R183-K186 PolarHBondContact NH2-O 2.93Å; R183-Y187 CarbonylContact C-O 3.59Å; R183-Y187 VanDerWaalsContact CA-O 3.3Å; R183-Y187 WeakPolarHBondContact CA-O 3.43Å |
| 184 | Q | 93.3 | Very high | 94.5 | Very high | 70 Ų | 70 | 33.4 Ų | 33.4 | 33% | 0.327 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 104.7 | 166.1 | -80.1 | 178.6 | -16.6 | 0 | 0 | 107.7 | P141 P164 K186 Y187 V189 | P141-Q184 HydrophobicContact CB-CG 4.3Å; P141-Q184 HydrophobicContact CG-CB 4.25Å; P141-Q184 HydrophobicContact CG-CG 3.88Å; P164-Q184 WeakPolarHBondContact O-CG 3.36Å; P164-Q184 PolarHBondContact O-NE2 3.46Å; Q184-K186 PolarHBondContact O-N 2.75Å; Q184-K186 VanDerWaalsContact O-N 3.09Å; Q184-Y187 PolarHBondContact N-O 2.93Å; Q184-Y187 PolarHBondContact O-N 3.32Å; Q184-V189 HydrophobicContact CB-CG2 4Å; Q184-V189 HydrophobicContact CG-CG2 3.62Å |
| 185 | S | 86.6 | Confident | 94.7 | Very high | 64 Ų | 64 | 30.7 Ų | 30.7 | 45% | 0.448 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -114 | -171.6 | -48.1 | 0 | 0 | 0 | 0 | 111.1 | Y166 | Y166-S185 PolarHBondContact OH-O 2.82Š|
| 186 | K | 82.6 | Confident | 94.8 | Very high | 134 Ų | 134 | 30.6 Ų | 30.6 | 58% | 0.583 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.8 | 178.4 | 68.3 | -173.1 | 179.6 | -172.1 | 0 | 114.4 | R183 Q184 Q232 | R183-K186 PolarHBondContact NH2-O 2.93Å; Q184-K186 PolarHBondContact O-N 2.75Å; Q184-K186 VanDerWaalsContact O-N 3.09Å; K186-Q232 PolarHBondContact O-NE2 2.74Å; K186-Q232 PolarHBondContact O-OE1 2.91Å |
| 187 | Y | 89.3 | Confident | 94.8 | Very high | 138 Ų | 138 | 28.2 Ų | 28.2 | 54% | 0.541 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.6 | -169.5 | -59.1 | -74.2 | 0 | 0 | 0 | 113.3 | R183 Q184 | R183-Y187 CarbonylContact C-O 3.59Å; R183-Y187 VanDerWaalsContact CA-O 3.3Å; R183-Y187 WeakPolarHBondContact CA-O 3.43Å; Q184-Y187 PolarHBondContact N-O 2.93Å; Q184-Y187 PolarHBondContact O-N 3.32Å |
| 188 | A | 92.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R212 A213 | A188-R212 VanDerWaalsContact CB-C 3.45Å; A188-R212 WeakPolarHBondContact CB-O 3.3Å; A188-A213 HydrophobicContact CB-CB 4.44Å |
| 189 | V | 94.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.085 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -99 | 141.9 | 176 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | T163 G181 G182 Q184 A191 | T163-V189 HydrophobicContact CG2-CG1 4.17Å; G181-V189 CarbonylContact C-O 3.59Å; G181-V189 VanDerWaalsContact CA-O 3.28Å; G181-V189 WeakPolarHBondContact CA-O 3.32Å; G181-V189 WeakPolarHBondContact O-CB 3.23Å; G181-V189 WeakPolarHBondContact O-CG1 3.14Å; G182-V189 PolarHBondContact O-N 2.91Å; Q184-V189 HydrophobicContact CB-CG2 4Å; Q184-V189 HydrophobicContact CG-CG2 3.62Å; V189-A191 HydrophobicContact CG1-CB 3.6Å |
| 190 | N | 94.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | trans | -116.3 | 20.9 | 175.8 | 67.1 | -28.3 | 0 | 0 | 0 | 112.6 | N207 I208 K211 | N190-N207 CarbonylContact O-C 3.54Å; N190-N207 VanDerWaalsContact O-CA 3.32Å; N190-N207 WeakPolarHBondContact O-CA 3.38Å; N190-N207 WeakPolarHBondContact O-CB 3.46Å; N190-I208 HydrophobicContact CB-CB 3.97Å; N190-I208 WeakPolarHBondContact CB-O 3.28Å; N190-I208 PolarHBondContact ND2-O 3.21Å; N190-I208 PolarHBondContact O-N 3.44Å; N190-K211 HydrophobicContact CB-CG 3.71Å; N190-K211 WeakPolarHBondContact OD1-CE 3.37Å | ||
| 191 | A | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | trans | -65.2 | 142.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | T163 G181 V189 E193 | T163-A191 HydrophobicContact CG2-CB 4.38Å; G181-A191 PolarHBondContact N-O 2.81Å; V189-A191 HydrophobicContact CG1-CB 3.6Å; A191-E193 HydrophobicContact CB-CG 4.36Å | ||
| 192 | F | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 109.1 | 169.1 | -172.6 | -176.3 | 0 | 0 | 0 | 108.5 | Y178 L180 V194 F205 L224 F248 M250 W255 | Y178-F192 AromaticContact CD1-CE2 3.66Å; Y178-F192 HydrophobicContact CD1-CE2 3.66Å; Y178-F192 AromaticContact CD1-CZ 3.79Å; Y178-F192 HydrophobicContact CD1-CZ 3.79Å; Y178-F192 HydrophobicContact CE1-CZ 4.49Å; Y178-F192 HydrophobicContact CG-CE2 4.4Å; L180-F192 HydrophobicContact CD1-CE2 4.08Å; L180-F192 HydrophobicContact CD1-CZ 4.49Å; L180-F192 HydrophobicContact CD2-CB 4.02Å; L180-F192 HydrophobicContact CD2-CD1 3.75Å; L180-F192 HydrophobicContact CD2-CD2 3.23Å; L180-F192 HydrophobicContact CD2-CE1 3.92Å; L180-F192 HydrophobicContact CD2-CE2 3.45Å; L180-F192 VanDerWaalsContact CD2-CE2 3.45Å; L180-F192 HydrophobicContact CD2-CG 3.39Å; L180-F192 HydrophobicContact CD2-CZ 3.8Å; L180-F192 HydrophobicContact CG-CD2 3.64Å; L180-F192 HydrophobicContact CG-CE2 3.68Å; L180-F192 HydrophobicContact CG-CG 4.3Å; L180-F192 HydrophobicContact CG-CZ 4.35Å; F192-V194 HydrophobicContact CE2-CG2 4.2Å; F192-F205 HydrophobicContact CB-CB 4.2Å; F192-F205 HydrophobicContact CD1-CB 3.84Å; F192-F205 HydrophobicContact CD1-CD2 4.25Å; F192-F205 HydrophobicContact CD1-CG 4.47Å; F192-F205 HydrophobicContact CD2-CD2 4.4Å; F192-F205 HydrophobicContact CE1-CB 4.41Å; F192-F205 HydrophobicContact CE1-CD2 4.04Å; F192-F205 HydrophobicContact CE2-CD2 4.19Å; F192-F205 HydrophobicContact CG-CB 3.96Å; F192-F205 HydrophobicContact CG-CD2 4.43Å; F192-F205 HydrophobicContact CZ-CD2 4.01Å; F192-F205 PolarHBondContact O-N 2.82Å; F192-L224 HydrophobicContact CE1-CD2 3.88Å; F192-L224 HydrophobicContact CZ-CD2 3.77Å; F192-F248 HydrophobicContact CD1-CD2 4.09Å; F192-F248 HydrophobicContact CD1-CE1 4.48Å; F192-F248 AromaticContact CD1-CE2 3.95Å; F192-F248 HydrophobicContact CD1-CE2 3.95Å; F192-F248 HydrophobicContact CD1-CG 4.4Å; F192-F248 HydrophobicContact CD1-CZ 4.13Å; F192-F248 HydrophobicContact CE1-CB 4.46Å; F192-F248 AromaticContact CE1-CD1 3.59Å; F192-F248 HydrophobicContact CE1-CD1 3.59Å; F192-F248 AromaticContact CE1-CD2 3.8Å; F192-F248 HydrophobicContact CE1-CD2 3.8Å; F192-F248 AromaticContact CE1-CE1 3.53Å; F192-F248 HydrophobicContact CE1-CE1 3.53Å; F192-F248 AromaticContact CE1-CE2 3.76Å; F192-F248 HydrophobicContact CE1-CE2 3.76Å; F192-F248 AromaticContact CE1-CG 3.7Å; F192-F248 HydrophobicContact CE1-CG 3.7Å; F192-F248 AromaticContact CE1-CZ 3.6Å; F192-F248 HydrophobicContact CE1-CZ 3.6Å; F192-F248 HydrophobicContact CZ-CD1 4.24Å; F192-F248 HydrophobicContact CZ-CE1 4.07Å; F192-F248 HydrophobicContact CZ-CZ 4.42Å; F192-M250 HydrophobicContact CZ-SD 4.26Å; F192-W255 AromaticContact CD1-CZ2 3.9Å; F192-W255 HydrophobicContact CD1-CZ2 3.9Å; F192-W255 HydrophobicContact CE1-CZ2 4.48Å |
| 193 | E | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.3 | -171.8 | -55.6 | 171.6 | 169.3 | 0 | 0 | 109.2 | P162 T163 R165 V179 A191 W202 T203 K204 | P162-E193 VanDerWaalsContact CD-OE2 3.3Å; P162-E193 WeakPolarHBondContact CD-OE2 3.23Å; T163-E193 WeakPolarHBondContact CB-OE1 3.01Å; T163-E193 PolarHBondContact N-OE1 3.18Å; T163-E193 PolarHBondContact N-OE2 3.09Å; T163-E193 PolarHBondContact OG1-OE1 3.07Å; R165-E193 IonicContact CZ-OE2 3.79Å; R165-E193 VanDerWaalsContact NH1-CD 3.3Å; R165-E193 IonicContact NH1-OE1 2.85Å; R165-E193 IonicContact NH1-OE2 3.87Å; R165-E193 PolarHBondContact NH1-OE2 2.84Å; R165-E193 IonicContact NH2-OE2 2.77Å; R165-E193 PolarHBondContact NH2-OE2 2.87Å; V179-E193 PolarHBondContact N-O 2.9Å; V179-E193 PolarHBondContact O-N 2.67Å; A191-E193 HydrophobicContact CB-CG 4.36Å; E193-W202 HydrophobicContact CB-CE3 3.83Å; E193-W202 HydrophobicContact CB-CZ3 3.88Å; E193-T203 WeakPolarHBondContact CA-O 3.32Å; E193-K204 HydrophobicContact CG-CG 4.33Å |
| 194 | V | 97.9 | Very high | 95 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.8 | -176.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | K176 I177 Y178 F192 W202 T203 F205 | K176-V194 HydrophobicContact CB-CG1 3.7Å; K176-V194 HydrophobicContact CD-CG1 4.11Å; K176-V194 HydrophobicContact CG-CG1 4.13Å; I177-V194 CarbonylContact O-C 3.53Å; I177-V194 WeakPolarHBondContact O-CA 3.38Å; Y178-V194 HydrophobicContact CD1-CB 4.37Å; Y178-V194 HydrophobicContact CD1-CG1 4.14Å; Y178-V194 HydrophobicContact CD1-CG2 3.31Å; Y178-V194 HydrophobicContact CD2-CG1 4.3Å; Y178-V194 HydrophobicContact CE1-CG1 4.08Å; Y178-V194 HydrophobicContact CE1-CG2 3.57Å; Y178-V194 HydrophobicContact CE2-CG1 4.2Å; Y178-V194 HydrophobicContact CG-CG1 4.26Å; Y178-V194 HydrophobicContact CG-CG2 4Å; F192-V194 HydrophobicContact CE2-CG2 4.2Å; V194-W202 VanDerWaalsContact C-CE3 3.44Å; V194-W202 CarbonylContact O-C 3.59Å; V194-W202 WeakPolarHBondContact O-CA 3.4Å; V194-T203 PolarHBondContact N-O 3.32Å; V194-T203 PolarHBondContact O-N 2.81Å; V194-F205 HydrophobicContact CG2-CD2 3.55Å; V194-F205 HydrophobicContact CG2-CE2 3.49Å; V194-F205 VanDerWaalsContact CG2-CE2 3.49Å |
| 195 | F | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.8 | 171.5 | -177.3 | -103.2 | 0 | 0 | 0 | 109.5 | L145 L158 A159 K176 I177 I197 R200 W202 | L145-F195 HydrophobicContact CD2-CB 4.1Å; L145-F195 HydrophobicContact CD2-CD1 3.5Å; L145-F195 VanDerWaalsContact CD2-CD1 3.5Å; L145-F195 HydrophobicContact CD2-CD2 3.6Å; L145-F195 HydrophobicContact CD2-CE1 3.68Å; L145-F195 HydrophobicContact CD2-CE2 3.79Å; L145-F195 HydrophobicContact CD2-CG 3.43Å; L145-F195 VanDerWaalsContact CD2-CG 3.43Å; L145-F195 HydrophobicContact CD2-CZ 3.81Å; L158-F195 HydrophobicContact CB-CZ 4.21Å; L158-F195 HydrophobicContact CD1-CE1 3.88Å; L158-F195 HydrophobicContact CD1-CZ 4.08Å; A159-F195 HydrophobicContact CB-CE2 4.2Å; K176-F195 CarbonylContact C-O 3.58Å; K176-F195 WeakPolarHBondContact CA-O 3.19Å; I177-F195 HydrophobicContact CB-CB 4.44Å; I177-F195 HydrophobicContact CD1-CD1 4.34Å; I177-F195 PolarHBondContact N-O 2.87Å; I177-F195 PolarHBondContact O-N 2.88Å; F195-I197 HydrophobicContact CD1-CG1 4.34Å; F195-I197 HydrophobicContact CE1-CG1 4.38Å; F195-R200 VanDerWaalsContact CE2-C 3.46Å; F195-R200 HydrophobicContact CZ-CB 4.22Å; F195-W202 HydrophobicContact CB-CD2 3.9Å; F195-W202 HydrophobicContact CB-CE3 3.85Å; F195-W202 HydrophobicContact CB-CH2 3.7Å; F195-W202 HydrophobicContact CB-CZ2 3.77Å; F195-W202 HydrophobicContact CB-CZ3 3.74Å; F195-W202 AromaticContact CD2-CD1 3.79Å; F195-W202 AromaticContact CD2-CD2 3.95Å; F195-W202 HydrophobicContact CD2-CD2 3.95Å; F195-W202 AromaticContact CD2-CE2 3.61Å; F195-W202 HydrophobicContact CD2-CG 4.07Å; F195-W202 HydrophobicContact CD2-CZ2 4.12Å; F195-W202 AromaticContact CD2-NE1 3.48Å; F195-W202 HydrophobicContact CG-CD2 4.42Å; F195-W202 HydrophobicContact CG-CZ2 4.19Å |
| 196 | D | 97.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.3 | 172.7 | -166.5 | -41 | 0 | 0 | 0 | 109.6 | S175 K176 E198 T199 R200 S201 | S175-D196 PolarHBondContact OG-OD1 3.37Å; K176-D196 HydrophobicContact CG-CB 4.39Å; K176-D196 IonicContact NZ-OD2 3.15Å; K176-D196 PolarHBondContact NZ-OD2 3.19Å; D196-E198 VanDerWaalsContact C-N 3.27Å; D196-E198 PolarHBondContact O-N 3.02Å; D196-E198 WeakPolarHBondContact OD1-CB 3.4Å; D196-E198 PolarHBondContact OD1-N 3.4Å; D196-T199 WeakPolarHBondContact CB-OG1 3.42Å; D196-T199 PolarHBondContact OD1-N 2.97Å; D196-R200 WeakPolarHBondContact O-CA 3.34Å; D196-R200 PolarHBondContact O-N 3.04Å; D196-S201 PolarHBondContact N-O 2.66Å |
| 197 | I | 97.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32.2 | -177.8 | -64.9 | 164.7 | 0 | 0 | 0 | 111.4 | K125 Y130 L172 S175 I177 F195 | K125-I197 HydrophobicContact CD-CD1 3.87Å; Y130-I197 HydrophobicContact CE1-CD1 4.18Å; Y130-I197 HydrophobicContact CE1-CG1 3.99Å; Y130-I197 HydrophobicContact CE1-CG2 4.47Å; Y130-I197 HydrophobicContact CE2-CD1 3.9Å; Y130-I197 VanDerWaalsContact OH-CG2 3.31Å; Y130-I197 WeakPolarHBondContact OH-CG2 3.41Å; L172-I197 HydrophobicContact CD1-CD1 4.02Å; S175-I197 VanDerWaalsContact O-CB 3.31Å; S175-I197 WeakPolarHBondContact O-CB 3.33Å; S175-I197 WeakPolarHBondContact O-CD1 3.44Å; S175-I197 WeakPolarHBondContact O-CG1 3.4Å; S175-I197 PolarHBondContact O-N 3.13Å; I177-I197 HydrophobicContact CD1-CD1 4.01Å; I177-I197 HydrophobicContact CD1-CG1 4.02Å; I177-I197 HydrophobicContact CG1-CD1 4.04Å; I177-I197 HydrophobicContact CG1-CG1 4.24Å; F195-I197 HydrophobicContact CD1-CG1 4.34Å; F195-I197 HydrophobicContact CE1-CG1 4.38Å |
| 198 | E | 96 | Very high | 96.6 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -48.8 | -174.9 | -69.2 | 171.7 | -171.9 | 0 | 0 | 110.9 | S175 D196 R200 | S175-E198 WeakPolarHBondContact CB-OE1 3.4Å; D196-E198 VanDerWaalsContact C-N 3.27Å; D196-E198 PolarHBondContact O-N 3.02Å; D196-E198 WeakPolarHBondContact OD1-CB 3.4Å; D196-E198 PolarHBondContact OD1-N 3.4Å; E198-R200 VanDerWaalsContact C-N 3.34Å |
| 199 | T | 96.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 53% | 0.534 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.1 | 178.7 | 69 | 0 | 0 | 0 | 0 | 113.2 | D196 S201 | D196-T199 WeakPolarHBondContact CB-OG1 3.42Å; D196-T199 PolarHBondContact OD1-N 2.97Å; T199-S201 PolarHBondContact O-N 3.35Å; T199-S201 PolarHBondContact OG1-OG 3.07Å |
| 200 | R | 96.1 | Very high | 96.1 | Very high | 178 Ų | 178 | 52.4 Ų | 52.4 | 67% | 0.672 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.5 | -177.2 | -58 | -178.4 | 174.8 | -177.4 | -0.5 | 113.6 | F195 D196 E198 | F195-R200 VanDerWaalsContact CE2-C 3.46Å; F195-R200 HydrophobicContact CZ-CB 4.22Å; D196-R200 WeakPolarHBondContact O-CA 3.34Å; D196-R200 PolarHBondContact O-N 3.04Å; E198-R200 VanDerWaalsContact C-N 3.34Å |
| 201 | S | 97.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.5 | -175.6 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | D196 T199 | D196-S201 PolarHBondContact N-O 2.66Å; T199-S201 PolarHBondContact O-N 3.35Å; T199-S201 PolarHBondContact OG1-OG 3.07Å |
| 202 | W | 98.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 138.7 | 173 | -73.3 | 95.5 | 0 | 0 | 0 | 111.9 | L145 A159 P160 M161 P162 V179 E193 V194 F195 | L145-W202 HydrophobicContact CB-CZ2 4.11Å; L145-W202 HydrophobicContact CD2-CH2 4.48Å; L145-W202 HydrophobicContact CD2-CZ2 3.63Å; L145-W202 HydrophobicContact CG-CZ2 4.29Å; A159-W202 PolarHBondContact O-NE1 3.15Å; P160-W202 VanDerWaalsContact O-CD1 3.29Å; P160-W202 PolarHBondContact O-NE1 3.16Å; M161-W202 HydrophobicContact CB-CH2 4.31Å; M161-W202 HydrophobicContact CB-CZ2 4.08Å; M161-W202 HydrophobicContact CG-CH2 3.56Å; M161-W202 HydrophobicContact CG-CZ2 3.46Å; M161-W202 VanDerWaalsContact CG-CZ2 3.46Å; M161-W202 HydrophobicContact CG-CZ3 4.5Å; M161-W202 HydrophobicContact SD-CH2 4.38Å; P162-W202 HydrophobicContact CG-CB 3.82Å; P162-W202 HydrophobicContact CG-CD2 4.31Å; P162-W202 HydrophobicContact CG-CG 3.98Å; V179-W202 HydrophobicContact CG2-CH2 3.97Å; V179-W202 HydrophobicContact CG2-CZ3 4.17Å; E193-W202 HydrophobicContact CB-CE3 3.83Å; E193-W202 HydrophobicContact CB-CZ3 3.88Å; V194-W202 VanDerWaalsContact C-CE3 3.44Å; V194-W202 CarbonylContact O-C 3.59Å; V194-W202 WeakPolarHBondContact O-CA 3.4Å; F195-W202 HydrophobicContact CB-CD2 3.9Å; F195-W202 HydrophobicContact CB-CE3 3.85Å; F195-W202 HydrophobicContact CB-CH2 3.7Å; F195-W202 HydrophobicContact CB-CZ2 3.77Å; F195-W202 HydrophobicContact CB-CZ3 3.74Å; F195-W202 AromaticContact CD2-CD1 3.79Å; F195-W202 AromaticContact CD2-CD2 3.95Å; F195-W202 HydrophobicContact CD2-CD2 3.95Å; F195-W202 AromaticContact CD2-CE2 3.61Å; F195-W202 HydrophobicContact CD2-CG 4.07Å; F195-W202 HydrophobicContact CD2-CZ2 4.12Å; F195-W202 AromaticContact CD2-NE1 3.48Å; F195-W202 HydrophobicContact CG-CD2 4.42Å; F195-W202 HydrophobicContact CG-CZ2 4.19Å |
| 203 | T | 97.4 | Very high | 95 | Very high | 68 Ų | 68 | 57 Ų | 57 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.8 | 166.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | E193 V194 | E193-T203 WeakPolarHBondContact CA-O 3.32Å; V194-T203 PolarHBondContact N-O 3.32Å; V194-T203 PolarHBondContact O-N 2.81Å |
| 204 | K | 97.3 | Very high | 94.7 | Very high | 138 Ų | 138 | 62.1 Ų | 62.1 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.1 | 173.6 | -69 | -175.3 | 174 | 178 | 0 | 109.3 | P162 E193 | P162-K204 HydrophobicContact CB-CD 4.46Å; P162-K204 HydrophobicContact CG-CG 4.45Å; E193-K204 HydrophobicContact CG-CG 4.33Å |
| 205 | F | 96 | Very high | 94.5 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 165.7 | 166.9 | -81.9 | -45.1 | 0 | 0 | 0 | 111.1 | Y178 F192 V194 N207 F248 | Y178-F205 HydrophobicContact CD1-CE2 4.5Å; Y178-F205 AromaticContact CE1-CE2 3.94Å; Y178-F205 HydrophobicContact CE1-CE2 3.94Å; F192-F205 HydrophobicContact CB-CB 4.2Å; F192-F205 HydrophobicContact CD1-CB 3.84Å; F192-F205 HydrophobicContact CD1-CD2 4.25Å; F192-F205 HydrophobicContact CD1-CG 4.47Å; F192-F205 HydrophobicContact CD2-CD2 4.4Å; F192-F205 HydrophobicContact CE1-CB 4.41Å; F192-F205 HydrophobicContact CE1-CD2 4.04Å; F192-F205 HydrophobicContact CE2-CD2 4.19Å; F192-F205 HydrophobicContact CG-CB 3.96Å; F192-F205 HydrophobicContact CG-CD2 4.43Å; F192-F205 HydrophobicContact CZ-CD2 4.01Å; F192-F205 PolarHBondContact O-N 2.82Å; V194-F205 HydrophobicContact CG2-CD2 3.55Å; V194-F205 HydrophobicContact CG2-CE2 3.49Å; V194-F205 VanDerWaalsContact CG2-CE2 3.49Å; F205-N207 PolarHBondContact O-N 3.12Å; F205-F248 HydrophobicContact CB-CE2 4.22Å; F205-F248 HydrophobicContact CB-CZ 4.06Å; F205-F248 AromaticContact CD1-CZ 3.88Å; F205-F248 HydrophobicContact CD1-CZ 3.88Å; F205-F248 HydrophobicContact CD2-CE1 4.21Å; F205-F248 AromaticContact CD2-CZ 3.71Å; F205-F248 HydrophobicContact CD2-CZ 3.71Å; F205-F248 HydrophobicContact CE1-CZ 4.23Å; F205-F248 HydrophobicContact CE2-CE1 4.25Å; F205-F248 HydrophobicContact CE2-CZ 4.05Å; F205-F248 HydrophobicContact CG-CE2 4.26Å; F205-F248 AromaticContact CG-CZ 3.63Å; F205-F248 HydrophobicContact CG-CZ 3.63Å; F205-F248 HydrophobicContact CZ-CZ 4.32Å |
| 206 | P | 96.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 134.1 | 168.6 | -28.6 | 36.7 | 0 | 0 | 0 | 111.4 | W255 | P206-W255 PolarHBondContact O-NE1 3.38Š|
| 207 | N | 96.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 149.1 | -179.7 | -70.6 | -40 | 0 | 0 | 0 | 111.7 | N190 F205 W255 | N190-N207 CarbonylContact O-C 3.54Å; N190-N207 VanDerWaalsContact O-CA 3.32Å; N190-N207 WeakPolarHBondContact O-CA 3.38Å; N190-N207 WeakPolarHBondContact O-CB 3.46Å; F205-N207 PolarHBondContact O-N 3.12Å; N207-W255 PolarHBondContact O-NE1 2.89Å; N207-W255 VanDerWaalsContact O-NE1 3.13Å |
| 208 | I | 94.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 126.9 | 172.8 | -54.8 | 158.9 | 0 | 0 | 0 | 108.4 | L180 N190 C210 F217 W255 | L180-I208 HydrophobicContact CD2-CD1 4.18Å; L180-I208 HydrophobicContact CD2-CG1 4.39Å; N190-I208 HydrophobicContact CB-CB 3.97Å; N190-I208 WeakPolarHBondContact CB-O 3.28Å; N190-I208 PolarHBondContact ND2-O 3.21Å; N190-I208 PolarHBondContact O-N 3.44Å; I208-C210 PolarHBondContact O-N 2.78Å; I208-F217 HydrophobicContact CD1-CE1 3.7Å; I208-F217 HydrophobicContact CD1-CZ 3.74Å; I208-W255 HydrophobicContact CB-CH2 4.19Å; I208-W255 HydrophobicContact CB-CZ2 3.91Å; I208-W255 HydrophobicContact CG1-CH2 3.78Å; I208-W255 HydrophobicContact CG1-CZ2 3.51Å; I208-W255 HydrophobicContact CG2-CH2 4.02Å; I208-W255 HydrophobicContact CG2-CZ2 4.22Å |
| 209 | P | 92.8 | Very high | 94.2 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -55.7 | -31.4 | -171 | -31.2 | 35.7 | 0 | 0 | 0 | 114.6 | D246 W255 | P209-D246 WeakPolarHBondContact CB-OD1 3.3Å; P209-D246 HydrophobicContact CG-CB 4.15Å; P209-W255 VanDerWaalsContact CD-CD2 3.49Å; P209-W255 HydrophobicContact CG-CB 4.3Å; P209-W255 HydrophobicContact CG-CD2 4Å; P209-W255 HydrophobicContact CG-CE3 4.29Å; P209-W255 HydrophobicContact CG-CG 3.96Å |
| 210 | C | 84.4 | Confident | 94.1 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -118.8 | 132.1 | 177.7 | -152.7 | 0 | 0 | 0 | 0 | 112.9 | I208 R212 L242 | I208-C210 PolarHBondContact O-N 2.78Å; C210-R212 PolarHBondContact O-N 2.76Å; C210-L242 HydrophobicContact CB-CD1 4.48Å |
| 211 | K | 86.8 | Confident | 93.8 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | trans | -77.3 | 115.2 | 166.5 | -69.9 | -178.5 | 177.8 | -172.2 | 0 | 110 | N190 | N190-K211 HydrophobicContact CB-CG 3.71Å; N190-K211 WeakPolarHBondContact OD1-CE 3.37Å | ||
| 212 | R | 89.2 | Confident | 93.6 | Very high | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | trans | -146.3 | 141.7 | -175.5 | 52.2 | -176.2 | 158.1 | -114.6 | -9.1 | 111.3 | A188 C210 S226 G228 L230 L242 T244 D246 | A188-R212 VanDerWaalsContact CB-C 3.45Å; A188-R212 WeakPolarHBondContact CB-O 3.3Å; C210-R212 PolarHBondContact O-N 2.76Å; R212-S226 PolarHBondContact NE-OG 3.4Å; R212-S226 PolarHBondContact NH2-OG 3.05Å; R212-G228 WeakPolarHBondContact CD-O 3.27Å; R212-L230 WeakPolarHBondContact CA-O 3.14Å; R212-L242 HydrophobicContact CB-CD1 3.81Å; R212-T244 PolarHBondContact NH1-OG1 3.02Å; R212-D246 IonicContact CZ-OD2 2.69Å; R212-D246 IonicContact NH1-OD2 3.39Å; R212-D246 PolarHBondContact NH1-OD2 3.29Å; R212-D246 IonicContact NH2-OD2 2.95Å; R212-D246 PolarHBondContact NH2-OD2 2.82Å | ||
| 213 | A | 89.9 | Confident | 93.5 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 162.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A188 S215 G229 L230 | A188-A213 HydrophobicContact CB-CB 4.44Å; A213-S215 PolarHBondContact O-N 3.28Å; A213-S215 VanDerWaalsContact O-N 3.07Å; A213-G229 CarbonylContact O-C 3.58Å; A213-G229 VanDerWaalsContact O-CA 3.31Å; A213-G229 WeakPolarHBondContact O-CA 3.44Å; A213-L230 PolarHBondContact N-O 2.96Å; A213-L230 PolarHBondContact O-N 2.91Å |
| 214 | F | 91.8 | Very high | 93.4 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 53.5 | 32.5 | 175.1 | -46 | -67.4 | 0 | 0 | 0 | 113.3 | L230 A269 D270 | F214-L230 HydrophobicContact CD2-CB 4.18Å; F214-L230 HydrophobicContact CD2-CD2 4.3Å; F214-L230 HydrophobicContact CE2-CD2 4.38Å; F214-A269 HydrophobicContact CB-CB 4.08Å; F214-D270 HydrophobicContact CB-CB 4.17Å; F214-D270 PolarHBondContact O-N 2.91Å |
| 215 | S | 93.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | trans | -88.9 | 159.2 | 172.3 | 57.4 | 0 | 0 | 0 | 0 | 110 | A213 L227 | A213-S215 PolarHBondContact O-N 3.28Å; A213-S215 VanDerWaalsContact O-N 3.07Å; S215-L227 WeakPolarHBondContact CA-O 3.4Å; S215-L227 WeakPolarHBondContact CB-O 3.38Å | ||
| 216 | S | 94.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.5 | 170.7 | -166.2 | 0 | 0 | 0 | 0 | 111.2 | L227 A273 | S216-L227 PolarHBondContact N-O 3.47Å; S216-L227 PolarHBondContact O-N 3.47Å; S216-A273 WeakPolarHBondContact OG-CB 3.47Å |
| 217 | F | 95.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.7 | 174.5 | -62.4 | -86.1 | 0 | 0 | 0 | 108.4 | T169 L180 I208 L224 Y225 S226 | T169-F217 HydrophobicContact CG2-CB 4.23Å; T169-F217 HydrophobicContact CG2-CD2 4.21Å; T169-F217 WeakPolarHBondContact OG1-CD2 3.01Å; L180-F217 HydrophobicContact CB-CD1 4.48Å; L180-F217 HydrophobicContact CB-CE1 4.22Å; L180-F217 HydrophobicContact CB-CE2 4.46Å; L180-F217 HydrophobicContact CB-CZ 4.22Å; L180-F217 HydrophobicContact CD2-CE1 4.38Å; I208-F217 HydrophobicContact CD1-CE1 3.7Å; I208-F217 HydrophobicContact CD1-CZ 3.74Å; F217-L224 HydrophobicContact CB-CD1 4.19Å; F217-L224 HydrophobicContact CD1-CD1 4.5Å; F217-Y225 VanDerWaalsContact CA-O 3.31Å; F217-Y225 WeakPolarHBondContact CA-O 3.21Å; F217-S226 WeakPolarHBondContact CE1-OG 3.37Å |
| 218 | V | 96.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.7 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | Y225 L227 A273 V280 | V218-Y225 PolarHBondContact N-O 2.8Å; V218-Y225 WeakPolarHBondContact O-CD2 3.31Å; V218-Y225 PolarHBondContact O-N 2.69Å; V218-L227 HydrophobicContact CB-CD1 4.19Å; V218-L227 HydrophobicContact CG2-CD1 3.72Å; V218-A273 HydrophobicContact CG2-CB 3.76Å; V218-V280 HydrophobicContact CB-CG1 4.05Å; V218-V280 HydrophobicContact CG1-CG1 4.07Å; V218-V280 HydrophobicContact CG1-CG2 4.06Å; V218-V280 HydrophobicContact CG2-CG1 4.24Å |
| 219 | T | 95.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 39% | 0.387 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.5 | 170.3 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | F171 L224 S275 | F171-T219 HydrophobicContact CD1-CG2 4.07Å; F171-T219 HydrophobicContact CD2-CG2 4.38Å; F171-T219 HydrophobicContact CE1-CG2 3.78Å; F171-T219 HydrophobicContact CE2-CG2 4.14Å; F171-T219 HydrophobicContact CG-CG2 4.35Å; F171-T219 HydrophobicContact CZ-CG2 3.83Å; T219-L224 HydrophobicContact CG2-CD1 3.78Å; T219-S275 WeakPolarHBondContact O-CB 3.49Å; T219-S275 PolarHBondContact O-OG 2.82Å |
| 220 | L | 94.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 123.8 | 173.1 | 174.5 | 66.3 | 0 | 0 | 0 | 108.1 | S222 H223 Y225 G278 V280 P301 | L220-S222 PolarHBondContact O-N 2.76Å; L220-H223 PolarHBondContact N-O 3.07Å; L220-H223 PolarHBondContact O-N 2.83Å; L220-H223 VanDerWaalsContact O-O 3.12Å; L220-Y225 HydrophobicContact CB-CD2 4.43Å; L220-Y225 HydrophobicContact CB-CE2 3.9Å; L220-G278 WeakPolarHBondContact CD2-O 3.49Å; L220-V280 HydrophobicContact CB-CG2 4.29Å; L220-V280 HydrophobicContact CD2-CG2 3.97Å; L220-P301 HydrophobicContact CD2-CG 3.62Å |
| 221 | D | 90.2 | Very high | 93.7 | Very high | 132 Ų | 132 | 35.7 Ų | 35.7 | 71% | 0.706 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -126.3 | -174.7 | -51.5 | -38.9 | 0 | 0 | 0 | 112.1 | H223 | D221-H223 VanDerWaalsContact C-N 3.3Š|
| 222 | S | 92.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8 | 176.3 | 57.6 | 0 | 0 | 0 | 0 | 114 | L220 M250 E251 | L220-S222 PolarHBondContact O-N 2.76Å; S222-M250 WeakPolarHBondContact O-CB 3.33Å; S222-M250 WeakPolarHBondContact O-CG 3.42Å; S222-M250 PolarHBondContact O-N 3.04Å; S222-E251 WeakPolarHBondContact CB-OE1 3.11Å |
| 223 | H | 95.8 | Very high | 92.9 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.5 | -173.5 | -65.6 | 89.1 | 0 | 0 | 0 | 113.4 | L220 D221 Y225 V247 F248 | L220-H223 PolarHBondContact N-O 3.07Å; L220-H223 PolarHBondContact O-N 2.83Å; L220-H223 VanDerWaalsContact O-O 3.12Å; D221-H223 VanDerWaalsContact C-N 3.3Å; H223-Y225 HydrophobicContact CB-CD2 4.33Å; H223-Y225 HydrophobicContact CB-CE2 3.52Å; H223-V247 HydrophobicContact CB-CG1 4.09Å; H223-F248 WeakPolarHBondContact CA-O 3.38Å |
| 224 | L | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127 | 169.6 | 169.6 | 72 | 0 | 0 | 0 | 109.5 | F171 L180 F192 F217 T219 V247 F248 M250 | F171-L224 HydrophobicContact CE1-CD1 3.97Å; F171-L224 HydrophobicContact CE1-CD2 4.41Å; L180-L224 HydrophobicContact CD1-CD1 4.18Å; L180-L224 HydrophobicContact CD1-CD2 3.54Å; L180-L224 HydrophobicContact CD2-CD2 3.55Å; L180-L224 HydrophobicContact CG-CD2 4.19Å; F192-L224 HydrophobicContact CE1-CD2 3.88Å; F192-L224 HydrophobicContact CZ-CD2 3.77Å; F217-L224 HydrophobicContact CB-CD1 4.19Å; F217-L224 HydrophobicContact CD1-CD1 4.5Å; T219-L224 HydrophobicContact CG2-CD1 3.78Å; L224-V247 CarbonylContact O-C 3.52Å; L224-V247 WeakPolarHBondContact O-CA 3.38Å; L224-F248 HydrophobicContact CB-CB 4.21Å; L224-F248 PolarHBondContact N-O 3.07Å; L224-F248 PolarHBondContact O-N 2.76Å; L224-M250 HydrophobicContact CB-SD 4.03Å |
| 225 | Y | 96.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118 | -178.5 | -60.3 | -94.8 | 0 | 0 | 0 | 109.7 | F217 V218 L220 H223 M245 V247 V280 F299 | F217-Y225 VanDerWaalsContact CA-O 3.31Å; F217-Y225 WeakPolarHBondContact CA-O 3.21Å; V218-Y225 PolarHBondContact N-O 2.8Å; V218-Y225 WeakPolarHBondContact O-CD2 3.31Å; V218-Y225 PolarHBondContact O-N 2.69Å; L220-Y225 HydrophobicContact CB-CD2 4.43Å; L220-Y225 HydrophobicContact CB-CE2 3.9Å; H223-Y225 HydrophobicContact CB-CD2 4.33Å; H223-Y225 HydrophobicContact CB-CE2 3.52Å; Y225-M245 HydrophobicContact CD1-CE 4.27Å; Y225-M245 HydrophobicContact CD1-CG 4.21Å; Y225-M245 HydrophobicContact CD1-SD 3.6Å; Y225-M245 HydrophobicContact CE1-CE 4.45Å; Y225-M245 HydrophobicContact CE1-SD 4.27Å; Y225-V247 HydrophobicContact CD1-CB 4.46Å; Y225-V247 HydrophobicContact CD1-CG1 4.15Å; Y225-V247 HydrophobicContact CD1-CG2 3.71Å; Y225-V247 HydrophobicContact CE1-CB 4.47Å; Y225-V247 HydrophobicContact CE1-CG1 3.85Å; Y225-V247 HydrophobicContact CE1-CG2 3.8Å; Y225-V280 HydrophobicContact CD1-CG2 4.22Å; Y225-V280 HydrophobicContact CD2-CG2 3.64Å; Y225-V280 HydrophobicContact CE1-CG2 4.37Å; Y225-V280 HydrophobicContact CE2-CG2 3.82Å; Y225-V280 HydrophobicContact CG-CG2 3.85Å; Y225-F299 AromaticContact CE1-CD1 3.99Å; Y225-F299 HydrophobicContact CE1-CD1 3.99Å; Y225-F299 AromaticContact CE1-CE1 3.86Å; Y225-F299 HydrophobicContact CE1-CE1 3.86Å |
| 226 | S | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.3 | 172.8 | -172 | 0 | 0 | 0 | 0 | 110 | R212 F217 M245 D246 | R212-S226 PolarHBondContact NE-OG 3.4Å; R212-S226 PolarHBondContact NH2-OG 3.05Å; F217-S226 WeakPolarHBondContact CE1-OG 3.37Å; S226-M245 CarbonylContact O-C 3.55Å; S226-M245 VanDerWaalsContact O-CA 3.31Å; S226-M245 WeakPolarHBondContact O-CA 3.28Å; S226-D246 PolarHBondContact N-O 2.98Å; S226-D246 PolarHBondContact O-N 3.47Å |
| 227 | L | 96.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.7 | -160.9 | -60 | 162.2 | 0 | 0 | 0 | 112 | S215 S216 V218 M245 L264 F271 A273 V280 V282 W306 | S215-L227 WeakPolarHBondContact CA-O 3.4Å; S215-L227 WeakPolarHBondContact CB-O 3.38Å; S216-L227 PolarHBondContact N-O 3.47Å; S216-L227 PolarHBondContact O-N 3.47Å; V218-L227 HydrophobicContact CB-CD1 4.19Å; V218-L227 HydrophobicContact CG2-CD1 3.72Å; L227-M245 HydrophobicContact CD2-CB 4.04Å; L227-M245 HydrophobicContact CD2-CG 3.61Å; L227-M245 HydrophobicContact CD2-SD 3.76Å; L227-L264 HydrophobicContact CD2-CD1 4.38Å; L227-F271 HydrophobicContact CB-CE2 4.12Å; L227-F271 HydrophobicContact CB-CZ 3.83Å; L227-F271 WeakPolarHBondContact O-CZ 3.43Å; L227-A273 HydrophobicContact CD1-CB 4.26Å; L227-V280 HydrophobicContact CD1-CG1 3.63Å; L227-V280 HydrophobicContact CD2-CG1 4.25Å; L227-V282 HydrophobicContact CD1-CG1 3.85Å; L227-W306 HydrophobicContact CD2-CH2 4Å; L227-W306 HydrophobicContact CD2-CZ2 3.97Å |
| 228 | G | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | 58.3 | -133.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114 | R212 L242 T244 | R212-G228 WeakPolarHBondContact CD-O 3.27Å; G228-L242 WeakPolarHBondContact O-CB 3.37Å; G228-T244 PolarHBondContact N-O 2.91Å | ||
| 229 | G | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | 90.6 | 178.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A213 L242 R268 | A213-G229 CarbonylContact O-C 3.58Å; A213-G229 VanDerWaalsContact O-CA 3.31Å; A213-G229 WeakPolarHBondContact O-CA 3.44Å; G229-L242 WeakPolarHBondContact O-CB 3.18Å; G229-L242 PolarHBondContact O-N 3.27Å; G229-R268 PolarHBondContact N-O 2.87Å | ||
| 230 | L | 92.8 | Very high | 88.1 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.5 | 179.7 | -174.9 | 69.9 | 0 | 0 | 0 | 109.6 | R212 A213 F214 Q232 P239 F241 A269 | R212-L230 WeakPolarHBondContact CA-O 3.14Å; A213-L230 PolarHBondContact N-O 2.96Å; A213-L230 PolarHBondContact O-N 2.91Å; F214-L230 HydrophobicContact CD2-CB 4.18Å; F214-L230 HydrophobicContact CD2-CD2 4.3Å; F214-L230 HydrophobicContact CE2-CD2 4.38Å; L230-Q232 PolarHBondContact O-N 3.34Å; L230-P239 HydrophobicContact CD1-CB 3.99Å; L230-P239 HydrophobicContact CD2-CB 4.41Å; L230-P239 HydrophobicContact CG-CB 4.37Å; L230-F241 HydrophobicContact CD1-CD1 3.89Å; L230-F241 HydrophobicContact CD1-CD2 4.34Å; L230-F241 HydrophobicContact CD1-CE1 3.95Å; L230-F241 HydrophobicContact CD1-CE2 4.4Å; L230-F241 HydrophobicContact CD1-CG 4.09Å; L230-F241 HydrophobicContact CD1-CZ 4.22Å; L230-A269 HydrophobicContact CB-CB 4.13Å |
| 231 | R | 90.9 | Very high | 88 | Confident | 99 Ų | 99 | 74 Ų | 74 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 117 | 166.7 | -171.3 | 176.5 | 68.9 | -175.4 | 4.8 | 108.2 | P239 K240 L242 | R231-P239 WeakPolarHBondContact O-CA 3.49Å; R231-K240 PolarHBondContact N-O 2.75Å; R231-K240 PolarHBondContact O-N 3.25Å; R231-L242 HydrophobicContact CB-CD1 4.09Å; R231-L242 HydrophobicContact CB-CD2 3.94Å; R231-L242 HydrophobicContact CB-CG 4.05Å |
| 232 | Q | 83.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 145 | 177.2 | -70.1 | 176.9 | 2.2 | 0 | 0 | 111.3 | K186 L230 | K186-Q232 PolarHBondContact O-NE2 2.74Å; K186-Q232 PolarHBondContact O-OE1 2.91Å; L230-Q232 PolarHBondContact O-N 3.34Å |
| 233 | G | 76.6 | Confident | 88.4 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 156.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R237 | G233-R237 CarbonylContact C-O 3.59Å; G233-R237 WeakPolarHBondContact CA-O 3.28Å |
| 234 | R | 75 | Confident | 88.3 | Confident | 197 Ų | 197 | 70.7 Ų | 70.7 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | B | Isolated β-bridge | trans | -117 | 178 | 162.4 | -69.4 | -170.1 | 179.5 | -172.2 | 0.3 | 107.4 | Y236 R237 | R234-Y236 PolarHBondContact O-N 2.77Å; R234-R237 PolarHBondContact N-O 2.64Å; R234-R237 PolarHBondContact O-N 3.36Å |
| 235 | L | 70 | Confident | 88.3 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 76% | 0.759 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | 121.7 | 171.6 | -131.8 | 70.9 | 0 | 0 | 0 | 109.2 | R237 | L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 2.81Å |
| 236 | Y | 70.6 | Confident | 88.2 | Confident | 224 Ų | 224 | 70.8 Ų | 70.8 | 88% | 0.878 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 9.4 | -177.9 | -42.9 | -76.1 | 0 | 0 | 0 | 118 | R234 | R234-Y236 PolarHBondContact O-N 2.77Š|
| 237 | R | 78.1 | Confident | 88.2 | Confident | 180 Ų | 180 | 71 Ų | 71 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | B | Isolated β-bridge | trans | -121.4 | 122.3 | 174.2 | -72.2 | -174.1 | 179.4 | -177.7 | 0.5 | 111.1 | G233 R234 L235 | G233-R237 CarbonylContact C-O 3.59Å; G233-R237 WeakPolarHBondContact CA-O 3.28Å; R234-R237 PolarHBondContact N-O 2.64Å; R234-R237 PolarHBondContact O-N 3.36Å; L235-R237 VanDerWaalsContact C-N 3.32Å; L235-R237 PolarHBondContact O-N 2.81Å |
| 238 | Q | 83.5 | Confident | 88.2 | Confident | 166 Ų | 166 | 71 Ų | 71 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | trans | -64.5 | 148.2 | 174.5 | -65.9 | -61.6 | -19.4 | 0 | 0 | 111.7 | ||||
| 239 | P | 87 | Confident | 88.2 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | trans | -52 | 142.4 | 168 | -23.4 | 33.6 | 0 | 0 | 0 | 111 | L230 R231 | L230-P239 HydrophobicContact CD1-CB 3.99Å; L230-P239 HydrophobicContact CD2-CB 4.41Å; L230-P239 HydrophobicContact CG-CB 4.37Å; R231-P239 WeakPolarHBondContact O-CA 3.49Å | ||
| 240 | K | 92 | Very high | 88.2 | Confident | 95 Ų | 95 | 72.3 Ų | 72.3 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 120.4 | -176.3 | -175.7 | 174.1 | -177.2 | 172.3 | 0 | 110.7 | R231 | R231-K240 PolarHBondContact N-O 2.75Å; R231-K240 PolarHBondContact O-N 3.25Å |
| 241 | F | 94.5 | Very high | 88.1 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 135.7 | 169 | -63.4 | -82.4 | 0 | 0 | 0 | 110.1 | L230 R267 A269 L286 G287 N288 | L230-F241 HydrophobicContact CD1-CD1 3.89Å; L230-F241 HydrophobicContact CD1-CD2 4.34Å; L230-F241 HydrophobicContact CD1-CE1 3.95Å; L230-F241 HydrophobicContact CD1-CE2 4.4Å; L230-F241 HydrophobicContact CD1-CG 4.09Å; L230-F241 HydrophobicContact CD1-CZ 4.22Å; F241-R267 HydrophobicContact CB-CB 3.73Å; F241-R267 VanDerWaalsContact O-CD 3.22Å; F241-R267 WeakPolarHBondContact O-CD 3.48Å; F241-A269 HydrophobicContact CD1-CB 3.67Å; F241-A269 HydrophobicContact CE1-CB 3.84Å; F241-L286 WeakPolarHBondContact CD1-O 3.43Å; F241-L286 HydrophobicContact CE1-CB 3.71Å; F241-L286 HydrophobicContact CZ-CB 4.06Å; F241-G287 WeakPolarHBondContact CD2-O 3.35Å; F241-G287 WeakPolarHBondContact CE2-O 3.38Å; F241-G287 WeakPolarHBondContact CZ-O 3.5Å; F241-N288 WeakPolarHBondContact CD2-OD1 3.31Å |
| 242 | L | 94.4 | Very high | 88.2 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | trans | -100.2 | 152.7 | -178.7 | -60.3 | -179.8 | 0 | 0 | 0 | 110.2 | C210 R212 G228 G229 R231 R267 R268 | C210-L242 HydrophobicContact CB-CD1 4.48Å; R212-L242 HydrophobicContact CB-CD1 3.81Å; G228-L242 WeakPolarHBondContact O-CB 3.37Å; G229-L242 WeakPolarHBondContact O-CB 3.18Å; G229-L242 PolarHBondContact O-N 3.27Å; R231-L242 HydrophobicContact CB-CD1 4.09Å; R231-L242 HydrophobicContact CB-CD2 3.94Å; R231-L242 HydrophobicContact CB-CG 4.05Å; L242-R267 WeakPolarHBondContact O-CA 3.49Å; L242-R268 PolarHBondContact O-N 3Å; L242-R268 VanDerWaalsContact O-N 3.09Å | ||
| 243 | R | 95.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | trans | -121.7 | 12.6 | 168 | 58.1 | 161.6 | -169.5 | -168.4 | 3.8 | 110.8 | F263 L264 R267 | R243-F263 HydrophobicContact CG-CD1 4.01Å; R243-F263 CarbonylContact O-C 3.58Å; R243-F263 WeakPolarHBondContact O-CA 3.4Å; R243-L264 HydrophobicContact CB-CB 4.01Å; R243-L264 WeakPolarHBondContact CD-O 3.48Å; R243-L264 VanDerWaalsContact O-CD1 3.28Å; R243-L264 WeakPolarHBondContact O-CD1 3.17Å; R243-L264 PolarHBondContact O-N 2.51Å; R243-R267 HydrophobicContact CB-CG 3.82Å; R243-R267 HydrophobicContact CG-CG 4Å | ||
| 244 | T | 94.9 | Very high | 89.7 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 135.8 | -178.2 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | R212 G228 F263 | R212-T244 PolarHBondContact NH1-OG1 3.02Å; G228-T244 PolarHBondContact N-O 2.91Å; T244-F263 HydrophobicContact CG2-CD1 4.29Å; T244-F263 HydrophobicContact CG2-CE1 3.84Å |
| 245 | M | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.9 | 163.3 | 178 | 174.8 | 78 | 0 | 0 | 107.4 | Y225 S226 L227 V247 F262 L264 F299 W306 | Y225-M245 HydrophobicContact CD1-CE 4.27Å; Y225-M245 HydrophobicContact CD1-CG 4.21Å; Y225-M245 HydrophobicContact CD1-SD 3.6Å; Y225-M245 HydrophobicContact CE1-CE 4.45Å; Y225-M245 HydrophobicContact CE1-SD 4.27Å; S226-M245 CarbonylContact O-C 3.55Å; S226-M245 VanDerWaalsContact O-CA 3.31Å; S226-M245 WeakPolarHBondContact O-CA 3.28Å; L227-M245 HydrophobicContact CD2-CB 4.04Å; L227-M245 HydrophobicContact CD2-CG 3.61Å; L227-M245 HydrophobicContact CD2-SD 3.76Å; M245-V247 HydrophobicContact CE-CG2 3.81Å; M245-V247 HydrophobicContact CG-CG2 4.11Å; M245-V247 HydrophobicContact SD-CG2 4.38Å; M245-F262 HydrophobicContact CB-CB 4.33Å; M245-F262 WeakPolarHBondContact CB-O 3.36Å; M245-F262 HydrophobicContact CE-CB 4.25Å; M245-F262 HydrophobicContact CE-CD1 3.45Å; M245-F262 VanDerWaalsContact CE-CD1 3.45Å; M245-F262 HydrophobicContact CE-CE1 4.03Å; M245-F262 HydrophobicContact CE-CG 3.96Å; M245-F262 PolarHBondContact N-O 2.82Å; M245-F262 WeakPolarHBondContact O-CB 3.44Å; M245-L264 HydrophobicContact CB-CD1 4.07Å; M245-F299 HydrophobicContact CE-CD1 3.97Å; M245-F299 HydrophobicContact CE-CD2 3.79Å; M245-F299 HydrophobicContact CE-CE1 3.77Å; M245-F299 HydrophobicContact CE-CE2 3.57Å; M245-F299 HydrophobicContact CE-CG 3.99Å; M245-F299 HydrophobicContact CE-CZ 3.56Å; M245-F299 HydrophobicContact SD-CD1 4.24Å; M245-F299 HydrophobicContact SD-CD2 4.42Å; M245-F299 HydrophobicContact SD-CG 4.17Å; M245-W306 HydrophobicContact CB-CZ2 4.49Å; M245-W306 HydrophobicContact SD-CZ2 3.6Å; M245-W306 VanDerWaalsContact SD-CZ2 3.6Å |
| 246 | D | 95.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.2 | 170 | -62.3 | -71.9 | 0 | 0 | 0 | 107.8 | P209 R212 S226 W255 M258 | P209-D246 WeakPolarHBondContact CB-OD1 3.3Å; P209-D246 HydrophobicContact CG-CB 4.15Å; R212-D246 IonicContact CZ-OD2 2.69Å; R212-D246 IonicContact NH1-OD2 3.39Å; R212-D246 PolarHBondContact NH1-OD2 3.29Å; R212-D246 IonicContact NH2-OD2 2.95Å; R212-D246 PolarHBondContact NH2-OD2 2.82Å; S226-D246 PolarHBondContact N-O 2.98Å; S226-D246 PolarHBondContact O-N 3.47Å; D246-W255 HydrophobicContact CB-CE3 3.69Å; D246-W255 HydrophobicContact CB-CZ3 3.65Å; D246-M258 WeakPolarHBondContact OD1-CE 3.03Å |
| 247 | V | 96.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.7 | -177.1 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | H223 L224 Y225 M245 W255 L256 F262 | H223-V247 HydrophobicContact CB-CG1 4.09Å; L224-V247 CarbonylContact O-C 3.52Å; L224-V247 WeakPolarHBondContact O-CA 3.38Å; Y225-V247 HydrophobicContact CD1-CB 4.46Å; Y225-V247 HydrophobicContact CD1-CG1 4.15Å; Y225-V247 HydrophobicContact CD1-CG2 3.71Å; Y225-V247 HydrophobicContact CE1-CB 4.47Å; Y225-V247 HydrophobicContact CE1-CG1 3.85Å; Y225-V247 HydrophobicContact CE1-CG2 3.8Å; M245-V247 HydrophobicContact CE-CG2 3.81Å; M245-V247 HydrophobicContact CG-CG2 4.11Å; M245-V247 HydrophobicContact SD-CG2 4.38Å; V247-W255 WeakPolarHBondContact O-CA 3.36Å; V247-L256 HydrophobicContact CB-CB 4.41Å; V247-L256 HydrophobicContact CB-CD1 3.99Å; V247-L256 HydrophobicContact CB-CG 4.31Å; V247-L256 HydrophobicContact CG1-CD1 3.76Å; V247-L256 HydrophobicContact CG1-CG 4.35Å; V247-L256 PolarHBondContact O-N 2.83Å; V247-F262 HydrophobicContact CB-CE2 4.27Å; V247-F262 HydrophobicContact CB-CZ 4.33Å; V247-F262 HydrophobicContact CG2-CD1 4.42Å; V247-F262 HydrophobicContact CG2-CD2 4.23Å; V247-F262 HydrophobicContact CG2-CE1 4.08Å; V247-F262 HydrophobicContact CG2-CE2 3.88Å; V247-F262 HydrophobicContact CG2-CZ 3.81Å |
| 248 | F | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.3 | 175 | -175.1 | -89.8 | 0 | 0 | 0 | 109.4 | F192 F205 H223 L224 M250 G253 G254 W255 | F192-F248 HydrophobicContact CD1-CD2 4.09Å; F192-F248 HydrophobicContact CD1-CE1 4.48Å; F192-F248 AromaticContact CD1-CE2 3.95Å; F192-F248 HydrophobicContact CD1-CE2 3.95Å; F192-F248 HydrophobicContact CD1-CG 4.4Å; F192-F248 HydrophobicContact CD1-CZ 4.13Å; F192-F248 HydrophobicContact CE1-CB 4.46Å; F192-F248 AromaticContact CE1-CD1 3.59Å; F192-F248 HydrophobicContact CE1-CD1 3.59Å; F192-F248 AromaticContact CE1-CD2 3.8Å; F192-F248 HydrophobicContact CE1-CD2 3.8Å; F192-F248 AromaticContact CE1-CE1 3.53Å; F192-F248 HydrophobicContact CE1-CE1 3.53Å; F192-F248 AromaticContact CE1-CE2 3.76Å; F192-F248 HydrophobicContact CE1-CE2 3.76Å; F192-F248 AromaticContact CE1-CG 3.7Å; F192-F248 HydrophobicContact CE1-CG 3.7Å; F192-F248 AromaticContact CE1-CZ 3.6Å; F192-F248 HydrophobicContact CE1-CZ 3.6Å; F192-F248 HydrophobicContact CZ-CD1 4.24Å; F192-F248 HydrophobicContact CZ-CE1 4.07Å; F192-F248 HydrophobicContact CZ-CZ 4.42Å; F205-F248 HydrophobicContact CB-CE2 4.22Å; F205-F248 HydrophobicContact CB-CZ 4.06Å; F205-F248 AromaticContact CD1-CZ 3.88Å; F205-F248 HydrophobicContact CD1-CZ 3.88Å; F205-F248 HydrophobicContact CD2-CE1 4.21Å; F205-F248 AromaticContact CD2-CZ 3.71Å; F205-F248 HydrophobicContact CD2-CZ 3.71Å; F205-F248 HydrophobicContact CE1-CZ 4.23Å; F205-F248 HydrophobicContact CE2-CE1 4.25Å; F205-F248 HydrophobicContact CE2-CZ 4.05Å; F205-F248 HydrophobicContact CG-CE2 4.26Å; F205-F248 AromaticContact CG-CZ 3.63Å; F205-F248 HydrophobicContact CG-CZ 3.63Å; F205-F248 HydrophobicContact CZ-CZ 4.32Å; H223-F248 WeakPolarHBondContact CA-O 3.38Å; L224-F248 HydrophobicContact CB-CB 4.21Å; L224-F248 PolarHBondContact N-O 3.07Å; L224-F248 PolarHBondContact O-N 2.76Å; F248-M250 HydrophobicContact CD1-CG 4.2Å; F248-M250 HydrophobicContact CD1-SD 3.55Å; F248-M250 VanDerWaalsContact CD1-SD 3.55Å; F248-M250 HydrophobicContact CE1-SD 3.8Å; F248-G253 VanDerWaalsContact CE2-C 3.43Å; F248-G253 WeakPolarHBondContact CE2-O 3.32Å; F248-G253 VanDerWaalsContact CZ-CA 3.48Å; F248-G253 WeakPolarHBondContact CZ-O 3.33Å; F248-G254 WeakPolarHBondContact CA-O 3.42Å; F248-G254 VanDerWaalsContact CD2-C 3.42Å; F248-G254 WeakPolarHBondContact CD2-O 3.32Å; F248-W255 HydrophobicContact CB-CD2 4.02Å; F248-W255 HydrophobicContact CB-CE3 3.71Å; F248-W255 HydrophobicContact CB-CH2 4Å; F248-W255 HydrophobicContact CB-CZ2 4.29Å; F248-W255 HydrophobicContact CB-CZ3 3.71Å; F248-W255 AromaticContact CD2-CD1 3.98Å; F248-W255 AromaticContact CD2-CD2 3.76Å; F248-W255 HydrophobicContact CD2-CD2 3.76Å; F248-W255 AromaticContact CD2-CE2 3.63Å; F248-W255 HydrophobicContact CD2-CE3 4.34Å; F248-W255 AromaticContact CD2-CG 3.95Å; F248-W255 HydrophobicContact CD2-CG 3.95Å; F248-W255 HydrophobicContact CD2-CZ2 4.08Å; F248-W255 AromaticContact CD2-NE1 3.77Å; F248-W255 HydrophobicContact CG-CD2 4.4Å |
| 249 | D | 95.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 116.1 | 171.6 | -177.4 | -38.3 | 0 | 0 | 0 | 108.3 | E251 Q252 G253 G254 L256 | D249-E251 VanDerWaalsContact C-N 3.3Å; D249-E251 PolarHBondContact O-N 3.24Å; D249-E251 WeakPolarHBondContact OD1-CA 3.26Å; D249-E251 WeakPolarHBondContact OD1-CB 3.23Å; D249-E251 PolarHBondContact OD1-N 2.91Å; D249-Q252 HydrophobicContact CB-CB 4.13Å; D249-Q252 HydrophobicContact CB-CG 4.41Å; D249-Q252 PolarHBondContact OD1-N 2.74Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.39Å; D249-Q252 PolarHBondContact OD2-NE2 3.07Å; D249-G253 WeakPolarHBondContact O-CA 3.41Å; D249-G253 PolarHBondContact O-N 3.27Å; D249-G254 PolarHBondContact N-O 3.05Å; D249-G254 PolarHBondContact O-N 2.87Å; D249-L256 HydrophobicContact CB-CD2 4.15Å |
| 250 | M | 93.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -17.4 | -174.9 | -60.6 | -75.3 | -68.4 | 0 | 0 | 113.3 | F171 Y178 F192 S222 L224 F248 | F171-M250 HydrophobicContact CE2-CE 3.76Å; F171-M250 HydrophobicContact CZ-CE 3.63Å; F171-M250 HydrophobicContact CZ-SD 4.32Å; Y178-M250 HydrophobicContact CD1-CE 3.5Å; Y178-M250 VanDerWaalsContact CD1-CE 3.5Å; Y178-M250 HydrophobicContact CD1-SD 4.45Å; Y178-M250 HydrophobicContact CD2-CE 4.34Å; Y178-M250 HydrophobicContact CE1-CE 3.09Å; Y178-M250 HydrophobicContact CE1-SD 4.2Å; Y178-M250 HydrophobicContact CE2-CE 4.05Å; Y178-M250 HydrophobicContact CG-CE 4.12Å; Y178-M250 VanDerWaalsContact CZ-CE 3.42Å; F192-M250 HydrophobicContact CZ-SD 4.26Å; S222-M250 WeakPolarHBondContact O-CB 3.33Å; S222-M250 WeakPolarHBondContact O-CG 3.42Å; S222-M250 PolarHBondContact O-N 3.04Å; L224-M250 HydrophobicContact CB-SD 4.03Å; F248-M250 HydrophobicContact CD1-CG 4.2Å; F248-M250 HydrophobicContact CD1-SD 3.55Å; F248-M250 VanDerWaalsContact CD1-SD 3.55Å; F248-M250 HydrophobicContact CE1-SD 3.8Å |
| 251 | E | 92.6 | Very high | 92.8 | Very high | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.673 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -41 | 177.7 | -65.7 | 176.7 | -178.1 | 0 | 0 | 110.4 | S222 D249 | S222-E251 WeakPolarHBondContact CB-OE1 3.11Å; D249-E251 VanDerWaalsContact C-N 3.3Å; D249-E251 PolarHBondContact O-N 3.24Å; D249-E251 WeakPolarHBondContact OD1-CA 3.26Å; D249-E251 WeakPolarHBondContact OD1-CB 3.23Å; D249-E251 PolarHBondContact OD1-N 2.91Å |
| 252 | Q | 93.1 | Very high | 92.5 | Very high | 151 Ų | 151 | 59.4 Ų | 59.4 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -22.3 | 176 | -61.7 | -179.8 | 39.8 | 0 | 0 | 113 | D249 | D249-Q252 HydrophobicContact CB-CB 4.13Å; D249-Q252 HydrophobicContact CB-CG 4.41Å; D249-Q252 PolarHBondContact OD1-N 2.74Å; D249-Q252 WeakPolarHBondContact OD2-CG 3.39Å; D249-Q252 PolarHBondContact OD2-NE2 3.07Å |
| 253 | G | 93.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F248 D249 | F248-G253 VanDerWaalsContact CE2-C 3.43Å; F248-G253 WeakPolarHBondContact CE2-O 3.32Å; F248-G253 VanDerWaalsContact CZ-CA 3.48Å; F248-G253 WeakPolarHBondContact CZ-O 3.33Å; D249-G253 WeakPolarHBondContact O-CA 3.41Å; D249-G253 PolarHBondContact O-N 3.27Å |
| 254 | G | 95.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | F248 D249 | F248-G254 WeakPolarHBondContact CA-O 3.42Å; F248-G254 VanDerWaalsContact CD2-C 3.42Å; F248-G254 WeakPolarHBondContact CD2-O 3.32Å; D249-G254 PolarHBondContact N-O 3.05Å; D249-G254 PolarHBondContact O-N 2.87Å |
| 255 | W | 96.2 | Very high | 92.5 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 132 | 170.5 | -62.9 | 95.7 | 0 | 0 | 0 | 110.2 | F192 P206 N207 I208 P209 D246 V247 F248 | F192-W255 AromaticContact CD1-CZ2 3.9Å; F192-W255 HydrophobicContact CD1-CZ2 3.9Å; F192-W255 HydrophobicContact CE1-CZ2 4.48Å; P206-W255 PolarHBondContact O-NE1 3.38Å; N207-W255 PolarHBondContact O-NE1 2.89Å; N207-W255 VanDerWaalsContact O-NE1 3.13Å; I208-W255 HydrophobicContact CB-CH2 4.19Å; I208-W255 HydrophobicContact CB-CZ2 3.91Å; I208-W255 HydrophobicContact CG1-CH2 3.78Å; I208-W255 HydrophobicContact CG1-CZ2 3.51Å; I208-W255 HydrophobicContact CG2-CH2 4.02Å; I208-W255 HydrophobicContact CG2-CZ2 4.22Å; P209-W255 VanDerWaalsContact CD-CD2 3.49Å; P209-W255 HydrophobicContact CG-CB 4.3Å; P209-W255 HydrophobicContact CG-CD2 4Å; P209-W255 HydrophobicContact CG-CE3 4.29Å; P209-W255 HydrophobicContact CG-CG 3.96Å; D246-W255 HydrophobicContact CB-CE3 3.69Å; D246-W255 HydrophobicContact CB-CZ3 3.65Å; V247-W255 WeakPolarHBondContact O-CA 3.36Å; F248-W255 HydrophobicContact CB-CD2 4.02Å; F248-W255 HydrophobicContact CB-CE3 3.71Å; F248-W255 HydrophobicContact CB-CH2 4Å; F248-W255 HydrophobicContact CB-CZ2 4.29Å; F248-W255 HydrophobicContact CB-CZ3 3.71Å; F248-W255 AromaticContact CD2-CD1 3.98Å; F248-W255 AromaticContact CD2-CD2 3.76Å; F248-W255 HydrophobicContact CD2-CD2 3.76Å; F248-W255 AromaticContact CD2-CE2 3.63Å; F248-W255 HydrophobicContact CD2-CE3 4.34Å; F248-W255 AromaticContact CD2-CG 3.95Å; F248-W255 HydrophobicContact CD2-CG 3.95Å; F248-W255 HydrophobicContact CD2-CZ2 4.08Å; F248-W255 AromaticContact CD2-NE1 3.77Å; F248-W255 HydrophobicContact CG-CD2 4.4Å |
| 256 | L | 95 | Very high | 92.4 | Very high | 66 Ų | 66 | 66 Ų | 66 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 150.8 | 173.4 | -59 | -174.7 | 0 | 0 | 0 | 110.6 | V247 D249 M258 F262 | V247-L256 HydrophobicContact CB-CB 4.41Å; V247-L256 HydrophobicContact CB-CD1 3.99Å; V247-L256 HydrophobicContact CB-CG 4.31Å; V247-L256 HydrophobicContact CG1-CD1 3.76Å; V247-L256 HydrophobicContact CG1-CG 4.35Å; V247-L256 PolarHBondContact O-N 2.83Å; D249-L256 HydrophobicContact CB-CD2 4.15Å; L256-M258 PolarHBondContact O-N 2.89Å; L256-F262 HydrophobicContact CB-CE2 4.19Å; L256-F262 HydrophobicContact CB-CZ 4.49Å; L256-F262 HydrophobicContact CD1-CZ 4.47Å |
| 257 | K | 92.1 | Very high | 92.4 | Very high | 186 Ų | 186 | 69.3 Ų | 69.3 | 81% | 0.809 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 137 | 176.3 | -171.8 | 175.5 | 179.7 | 179.4 | 0 | 109.6 | E259 F262 | K257-E259 PolarHBondContact O-N 2.83Å; K257-F262 WeakPolarHBondContact O-CE2 3.07Å |
| 258 | M | 87.8 | Confident | 92.5 | Very high | 81 Ų | 81 | 69.1 Ų | 69.1 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63 | 128.1 | -179.5 | -177.1 | 66.2 | 68.9 | 0 | 0 | 111.4 | D246 L256 F262 F263 | D246-M258 WeakPolarHBondContact OD1-CE 3.03Å; L256-M258 PolarHBondContact O-N 2.89Å; M258-F262 HydrophobicContact SD-CB 3.71Å; M258-F262 HydrophobicContact SD-CD2 4.21Å; M258-F263 HydrophobicContact CG-CE2 4.48Å; M258-F263 HydrophobicContact CG-CZ 4.36Å; M258-F263 HydrophobicContact SD-CE2 4.39Å; M258-F263 HydrophobicContact SD-CZ 4.24Å |
| 259 | E | 87.3 | Confident | 92.4 | Very high | 89 Ų | 89 | 69.2 Ų | 69.2 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | trans | -119 | 163.4 | 178.2 | -67.9 | -176.5 | 176.8 | 0 | 0 | 112.1 | K257 S261 F262 F263 N304 | K257-E259 PolarHBondContact O-N 2.83Å; E259-S261 WeakPolarHBondContact CB-OG 3.31Å; E259-S261 PolarHBondContact O-N 2.99Å; E259-S261 PolarHBondContact OE2-OG 3.08Å; E259-F262 HydrophobicContact CB-CD1 4.34Å; E259-F262 HydrophobicContact CB-CD2 4.43Å; E259-F262 HydrophobicContact CB-CE1 4.47Å; E259-F262 HydrophobicContact CB-CG 4.3Å; E259-F262 WeakPolarHBondContact O-CB 3.3Å; E259-F262 PolarHBondContact O-N 3.06Å; E259-F263 WeakPolarHBondContact O-CE2 3.16Å; E259-N304 PolarHBondContact OE2-ND2 2.96Å | ||
| 260 | R | 81.3 | Confident | 92.4 | Very high | 236 Ų | 236 | 71.2 Ų | 71.2 | 89% | 0.891 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -64.3 | -27.2 | 177 | -70.8 | -176.2 | 178.5 | 175 | 0.6 | 112.7 | F262 F263 | R260-F262 PolarHBondContact O-N 3.01Å; R260-F263 WeakPolarHBondContact O-CD2 3.23Å |
| 261 | S | 82.1 | Confident | 92.6 | Very high | 24 Ų | 24 | 71 Ų | 71 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -69.3 | -18.5 | 174.3 | 50.3 | 0 | 0 | 0 | 0 | 113 | E259 F263 N304 W306 | E259-S261 WeakPolarHBondContact CB-OG 3.31Å; E259-S261 PolarHBondContact O-N 2.99Å; E259-S261 PolarHBondContact OE2-OG 3.08Å; S261-F263 PolarHBondContact O-N 2.95Å; S261-F263 VanDerWaalsContact O-N 3.15Å; S261-N304 WeakPolarHBondContact CB-O 3.29Å; S261-N304 WeakPolarHBondContact CB-OD1 3.12Å; S261-N304 VanDerWaalsContact OG-CG 3.25Å; S261-N304 PolarHBondContact OG-ND2 2.8Å; S261-N304 PolarHBondContact OG-OD1 3.3Å; S261-W306 PolarHBondContact O-NE1 2.59Å |
| 262 | F | 88.8 | Confident | 92.8 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -84.7 | 20.5 | -178.9 | -66.9 | 2.4 | 0 | 0 | 0 | 112.8 | M245 V247 L256 K257 M258 E259 R260 F299 N304 | M245-F262 HydrophobicContact CB-CB 4.33Å; M245-F262 WeakPolarHBondContact CB-O 3.36Å; M245-F262 HydrophobicContact CE-CB 4.25Å; M245-F262 HydrophobicContact CE-CD1 3.45Å; M245-F262 VanDerWaalsContact CE-CD1 3.45Å; M245-F262 HydrophobicContact CE-CE1 4.03Å; M245-F262 HydrophobicContact CE-CG 3.96Å; M245-F262 PolarHBondContact N-O 2.82Å; M245-F262 WeakPolarHBondContact O-CB 3.44Å; V247-F262 HydrophobicContact CB-CE2 4.27Å; V247-F262 HydrophobicContact CB-CZ 4.33Å; V247-F262 HydrophobicContact CG2-CD1 4.42Å; V247-F262 HydrophobicContact CG2-CD2 4.23Å; V247-F262 HydrophobicContact CG2-CE1 4.08Å; V247-F262 HydrophobicContact CG2-CE2 3.88Å; V247-F262 HydrophobicContact CG2-CZ 3.81Å; L256-F262 HydrophobicContact CB-CE2 4.19Å; L256-F262 HydrophobicContact CB-CZ 4.49Å; L256-F262 HydrophobicContact CD1-CZ 4.47Å; K257-F262 WeakPolarHBondContact O-CE2 3.07Å; M258-F262 HydrophobicContact SD-CB 3.71Å; M258-F262 HydrophobicContact SD-CD2 4.21Å; E259-F262 HydrophobicContact CB-CD1 4.34Å; E259-F262 HydrophobicContact CB-CD2 4.43Å; E259-F262 HydrophobicContact CB-CE1 4.47Å; E259-F262 HydrophobicContact CB-CG 4.3Å; E259-F262 WeakPolarHBondContact O-CB 3.3Å; E259-F262 PolarHBondContact O-N 3.06Å; R260-F262 PolarHBondContact O-N 3.01Å; F262-F299 HydrophobicContact CD1-CZ 4.49Å; F262-F299 HydrophobicContact CE1-CZ 4.33Å; F262-N304 WeakPolarHBondContact CE1-OD1 3.3Å |
| 263 | F | 94 | Very high | 93 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 117.5 | 173 | -65.4 | -79 | 0 | 0 | 0 | 110.4 | R243 T244 M258 E259 R260 S261 W306 | R243-F263 HydrophobicContact CG-CD1 4.01Å; R243-F263 CarbonylContact O-C 3.58Å; R243-F263 WeakPolarHBondContact O-CA 3.4Å; T244-F263 HydrophobicContact CG2-CD1 4.29Å; T244-F263 HydrophobicContact CG2-CE1 3.84Å; M258-F263 HydrophobicContact CG-CE2 4.48Å; M258-F263 HydrophobicContact CG-CZ 4.36Å; M258-F263 HydrophobicContact SD-CE2 4.39Å; M258-F263 HydrophobicContact SD-CZ 4.24Å; E259-F263 WeakPolarHBondContact O-CE2 3.16Å; R260-F263 WeakPolarHBondContact O-CD2 3.23Å; S261-F263 PolarHBondContact O-N 2.95Å; S261-F263 VanDerWaalsContact O-N 3.15Å; F263-W306 VanDerWaalsContact O-CD1 3.27Å |
| 264 | L | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | trans | -53 | 146.3 | 166.9 | -72.8 | 74.8 | 0 | 0 | 0 | 109.4 | L227 R243 M245 K266 R268 V282 E297 W306 | L227-L264 HydrophobicContact CD2-CD1 4.38Å; R243-L264 HydrophobicContact CB-CB 4.01Å; R243-L264 WeakPolarHBondContact CD-O 3.48Å; R243-L264 VanDerWaalsContact O-CD1 3.28Å; R243-L264 WeakPolarHBondContact O-CD1 3.17Å; R243-L264 PolarHBondContact O-N 2.51Å; M245-L264 HydrophobicContact CB-CD1 4.07Å; L264-K266 VanDerWaalsContact C-N 3.27Å; L264-K266 VanDerWaalsContact CB-O 3.31Å; L264-K266 WeakPolarHBondContact CB-O 3.35Å; L264-K266 PolarHBondContact O-N 2.83Å; L264-R268 HydrophobicContact CD2-CG 3.64Å; L264-V282 HydrophobicContact CD2-CG2 3.92Å; L264-E297 WeakPolarHBondContact CA-OE2 3.37Å; L264-W306 HydrophobicContact CD1-CH2 4.32Å; L264-W306 HydrophobicContact CD1-CZ2 3.69Å; L264-W306 HydrophobicContact CG-CH2 3.96Å; L264-W306 HydrophobicContact CG-CZ2 3.67Å | ||
| 265 | K | 94.4 | Very high | 93.1 | Very high | 112 Ų | 112 | 57.9 Ų | 57.9 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -61.2 | -38.3 | 175.8 | -60.9 | -66.7 | -174.7 | 179.4 | 0 | 110.9 | E297 W306 | K265-E297 VanDerWaalsContact CB-OE2 3.31Å; K265-E297 WeakPolarHBondContact CB-OE2 3.46Å; K265-E297 VanDerWaalsContact CG-OE2 3.32Å; K265-E297 WeakPolarHBondContact CG-OE2 3.07Å; K265-E297 PolarHBondContact N-OE1 2.87Å; K265-E297 PolarHBondContact N-OE2 3.09Å; K265-W306 HydrophobicContact CD-CB 4.46Å; K265-W306 WeakPolarHBondContact CE-O 3.34Å; K265-W306 HydrophobicContact CG-CB 4.15Å; K265-W306 PolarHBondContact NZ-O 2.83Å |
| 266 | K | 94.4 | Very high | 93.1 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 39% | 0.387 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -117.6 | 147.8 | 176.4 | -63.3 | -67 | -174.3 | 172 | 0 | 111.3 | L264 T295 E297 | L264-K266 VanDerWaalsContact C-N 3.27Å; L264-K266 VanDerWaalsContact CB-O 3.31Å; L264-K266 WeakPolarHBondContact CB-O 3.35Å; L264-K266 PolarHBondContact O-N 2.83Å; K266-T295 HydrophobicContact CG-CG2 4.5Å; K266-E297 PolarHBondContact N-OE1 2.91Å |
| 267 | R | 95.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | trans | -76.5 | 128.9 | 168.6 | -71.3 | 172 | 176.6 | 79 | 3.5 | 107.6 | F241 L242 R243 G287 | F241-R267 HydrophobicContact CB-CB 3.73Å; F241-R267 VanDerWaalsContact O-CD 3.22Å; F241-R267 WeakPolarHBondContact O-CD 3.48Å; L242-R267 WeakPolarHBondContact O-CA 3.49Å; R243-R267 HydrophobicContact CB-CG 3.82Å; R243-R267 HydrophobicContact CG-CG 4Å; R267-G287 WeakPolarHBondContact O-CA 3.24Å | ||
| 268 | R | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -146.2 | 143.9 | -176.1 | 58 | 178.3 | 79.8 | -137.1 | 7.4 | 112 | G229 L242 L264 F271 G284 L286 L293 T295 E297 | G229-R268 PolarHBondContact N-O 2.87Å; L242-R268 PolarHBondContact O-N 3Å; L242-R268 VanDerWaalsContact O-N 3.09Å; L264-R268 HydrophobicContact CD2-CG 3.64Å; R268-F271 HydrophobicContact CB-CB 4.47Å; R268-F271 HydrophobicContact CB-CD1 3.72Å; R268-F271 HydrophobicContact CB-CE1 4.27Å; R268-F271 HydrophobicContact CB-CG 4.24Å; R268-F271 HydrophobicContact CG-CD1 3.47Å; R268-F271 VanDerWaalsContact CG-CD1 3.47Å; R268-F271 HydrophobicContact CG-CD2 4.4Å; R268-F271 HydrophobicContact CG-CE1 3.65Å; R268-F271 HydrophobicContact CG-CG 3.9Å; R268-F271 HydrophobicContact CG-CZ 4.18Å; R268-F271 WeakPolarHBondContact O-CE1 3.36Å; R268-G284 PolarHBondContact NH1-O 3.02Å; R268-L286 CarbonylContact C-O 3.6Å; R268-L286 WeakPolarHBondContact CA-O 3.22Å; R268-L293 HydrophobicContact CB-CD1 3.74Å; R268-T295 PolarHBondContact NH1-O 3.06Å; R268-T295 PolarHBondContact NH2-O 2.84Å; R268-T295 PolarHBondContact NH2-OG1 2.64Å; R268-E297 IonicContact CZ-OE1 2.71Å; R268-E297 IonicContact NE-OE1 3.29Å; R268-E297 PolarHBondContact NE-OE1 3.25Å; R268-E297 IonicContact NH2-OE1 3.67Å; R268-E297 PolarHBondContact NH2-OE1 2.8Å | ||
| 269 | A | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 158.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | F214 L230 F241 F271 G285 L286 | F214-A269 HydrophobicContact CB-CB 4.08Å; L230-A269 HydrophobicContact CB-CB 4.13Å; F241-A269 HydrophobicContact CD1-CB 3.67Å; F241-A269 HydrophobicContact CE1-CB 3.84Å; A269-F271 VanDerWaalsContact C-N 3.28Å; A269-F271 PolarHBondContact O-N 3.46Å; A269-G285 CarbonylContact O-C 3.52Å; A269-G285 WeakPolarHBondContact O-CA 3.48Å; A269-L286 PolarHBondContact N-O 3.43Å; A269-L286 PolarHBondContact O-N 2.87Å |
| 270 | D | 95.5 | Very high | 93.7 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 55 | 44.1 | 176.3 | -157.9 | 31.3 | 0 | 0 | 0 | 113.4 | F214 G285 C317 A318 | F214-D270 HydrophobicContact CB-CB 4.17Å; F214-D270 PolarHBondContact O-N 2.91Å; D270-G285 WeakPolarHBondContact O-CA 3.44Å; D270-C317 HydrophobicContact CB-CB 4.48Å; D270-C317 WeakPolarHBondContact O-CA 3.34Å; D270-C317 WeakPolarHBondContact O-CB 3.33Å; D270-A318 PolarHBondContact O-N 2.75Å; D270-A318 VanDerWaalsContact O-N 3.16Å; D270-A318 WeakPolarHBondContact OD2-CA 3.11Å; D270-A318 VanDerWaalsContact OD2-CB 3.3Å; D270-A318 WeakPolarHBondContact OD2-CB 2.93Å; D270-A318 PolarHBondContact OD2-N 2.94Å; D270-A318 VanDerWaalsContact OD2-N 3.15Å |
| 271 | F | 97.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 7% | 0.066 | 15% | 0.146 | C | C | . | . | trans | -110.3 | 160.4 | -175 | 55.1 | -89 | 0 | 0 | 0 | 111.1 | L227 R268 A269 A273 V282 A283 G284 | L227-F271 HydrophobicContact CB-CE2 4.12Å; L227-F271 HydrophobicContact CB-CZ 3.83Å; L227-F271 WeakPolarHBondContact O-CZ 3.43Å; R268-F271 HydrophobicContact CB-CB 4.47Å; R268-F271 HydrophobicContact CB-CD1 3.72Å; R268-F271 HydrophobicContact CB-CE1 4.27Å; R268-F271 HydrophobicContact CB-CG 4.24Å; R268-F271 HydrophobicContact CG-CD1 3.47Å; R268-F271 VanDerWaalsContact CG-CD1 3.47Å; R268-F271 HydrophobicContact CG-CD2 4.4Å; R268-F271 HydrophobicContact CG-CE1 3.65Å; R268-F271 HydrophobicContact CG-CG 3.9Å; R268-F271 HydrophobicContact CG-CZ 4.18Å; R268-F271 WeakPolarHBondContact O-CE1 3.36Å; A269-F271 VanDerWaalsContact C-N 3.28Å; A269-F271 PolarHBondContact O-N 3.46Å; F271-A273 HydrophobicContact CD2-CB 4.17Å; F271-A273 HydrophobicContact CE2-CB 3.97Å; F271-V282 HydrophobicContact CD2-CB 3.8Å; F271-V282 HydrophobicContact CD2-CG1 3.89Å; F271-V282 HydrophobicContact CE2-CB 3.93Å; F271-V282 HydrophobicContact CE2-CG1 3.5Å; F271-A283 WeakPolarHBondContact CB-O 3.32Å; F271-G284 WeakPolarHBondContact CB-O 3.05Å | ||
| 272 | V | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.8 | 171.7 | 168.6 | 0 | 0 | 0 | 0 | 109.5 | V282 A283 M312 C319 L328 A330 | V272-V282 CarbonylContact O-C 3.6Å; V272-V282 VanDerWaalsContact O-CA 3.25Å; V272-V282 WeakPolarHBondContact O-CA 3.38Å; V272-A283 HydrophobicContact CB-CB 4.47Å; V272-A283 PolarHBondContact N-O 3.44Å; V272-A283 PolarHBondContact O-N 2.86Å; V272-M312 HydrophobicContact CG2-CE 4.24Å; V272-C319 HydrophobicContact CG2-CB 3.46Å; V272-C319 VanDerWaalsContact CG2-CB 3.46Å; V272-L328 HydrophobicContact CG1-CD1 4.09Å; V272-L328 HydrophobicContact CG1-CD2 3.84Å; V272-L328 HydrophobicContact CG1-CG 3.93Å; V272-A330 HydrophobicContact CG1-CB 4.34Å; V272-A330 HydrophobicContact CG2-CB 3.77Å |
| 273 | A | 97.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 26 Ų | 26 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | S216 V218 L227 F271 I281 V282 | S216-A273 WeakPolarHBondContact OG-CB 3.47Å; V218-A273 HydrophobicContact CG2-CB 3.76Å; L227-A273 HydrophobicContact CD1-CB 4.26Å; F271-A273 HydrophobicContact CD2-CB 4.17Å; F271-A273 HydrophobicContact CE2-CB 3.97Å; A273-I281 WeakPolarHBondContact CA-O 3.45Å; A273-I281 WeakPolarHBondContact CB-O 3.27Å; A273-V282 HydrophobicContact CB-CG1 3.98Å |
| 274 | G | 96.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 167.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I281 | G274-I281 PolarHBondContact N-O 2.79Å; G274-I281 VanDerWaalsContact N-O 3.14Å; G274-I281 PolarHBondContact O-N 2.88Å |
| 275 | S | 95.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 22.7 Ų | 22.7 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.8 | 168.6 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | T219 R279 V323 | T219-S275 WeakPolarHBondContact O-CB 3.49Å; T219-S275 PolarHBondContact O-OG 2.82Å; S275-R279 CarbonylContact C-O 3.55Å; S275-R279 WeakPolarHBondContact CA-O 3.46Å; S275-V323 WeakPolarHBondContact O-CG2 3.3Å |
| 276 | L | 94.9 | Very high | 96 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 123.7 | -179.8 | 177.2 | 60 | 0 | 0 | 0 | 109.8 | F9 G278 R279 I281 N326 L328 L345 V347 | F9-L276 HydrophobicContact CD1-CD2 4.31Å; F9-L276 HydrophobicContact CE1-CD2 3.88Å; F9-L276 HydrophobicContact CE1-CG 4.18Å; L276-G278 VanDerWaalsContact C-N 3.32Å; L276-G278 PolarHBondContact O-N 2.96Å; L276-R279 PolarHBondContact N-O 2.94Å; L276-R279 WeakPolarHBondContact O-CB 3.44Å; L276-R279 PolarHBondContact O-N 2.83Å; L276-I281 HydrophobicContact CB-CD1 3.67Å; L276-I281 HydrophobicContact CB-CG1 4.39Å; L276-I281 HydrophobicContact CD2-CD1 3.78Å; L276-I281 HydrophobicContact CG-CD1 4.15Å; L276-N326 HydrophobicContact CD1-CB 4.27Å; L276-N326 WeakPolarHBondContact CD1-O 3.46Å; L276-L328 HydrophobicContact CD2-CB 4.36Å; L276-L345 VanDerWaalsContact CD2-O 3.28Å; L276-L345 WeakPolarHBondContact CD2-O 3.36Å; L276-V347 HydrophobicContact CD2-CG2 4.42Å; L276-V347 HydrophobicContact CG-CG2 4.36Å |
| 277 | S | 91.3 | Very high | 96 | Very high | 38 Ų | 38 | 16.4 Ų | 16.4 | 27% | 0.266 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 48.8 | 177 | -53.9 | 0 | 0 | 0 | 0 | 114.1 | P4 R279 V347 | P4-S277 WeakPolarHBondContact CD-O 3.45Å; S277-R279 VanDerWaalsContact C-N 3.32Å; S277-R279 PolarHBondContact O-N 2.81Å; S277-V347 WeakPolarHBondContact OG-CG2 3.44Å |
| 278 | G | 92.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 27% | 0.268 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 11.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L220 L276 P301 | L220-G278 WeakPolarHBondContact CD2-O 3.49Å; L276-G278 VanDerWaalsContact C-N 3.32Å; L276-G278 PolarHBondContact O-N 2.96Å; G278-P301 WeakPolarHBondContact O-CD 3.32Å |
| 279 | R | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.1 | 178.6 | -67.6 | 168.8 | 172.3 | -89.4 | 5 | 111.3 | V3 P4 S275 L276 S277 I281 A298 F299 H300 E307 | V3-R279 HydrophobicContact CG1-CG 3.65Å; V3-R279 VanDerWaalsContact CG1-NE 3.3Å; P4-R279 PolarHBondContact O-NE 3.15Å; P4-R279 PolarHBondContact O-NH2 3.39Å; S275-R279 CarbonylContact C-O 3.55Å; S275-R279 WeakPolarHBondContact CA-O 3.46Å; L276-R279 PolarHBondContact N-O 2.94Å; L276-R279 WeakPolarHBondContact O-CB 3.44Å; L276-R279 PolarHBondContact O-N 2.83Å; S277-R279 VanDerWaalsContact C-N 3.32Å; S277-R279 PolarHBondContact O-N 2.81Å; R279-I281 HydrophobicContact CB-CG1 4.49Å; R279-A298 HydrophobicContact CB-CB 4.35Å; R279-F299 WeakPolarHBondContact CA-O 3.46Å; R279-H300 PolarHBondContact NH2-CD2 3.19Å; R279-H300 VanDerWaalsContact NH2-CD2 3.34Å; R279-E307 IonicContact CZ-OE2 2.66Å; R279-E307 VanDerWaalsContact CZ-OE2 3.29Å; R279-E307 IonicContact NH1-OE2 3.38Å; R279-E307 PolarHBondContact NH1-OE2 2.9Å; R279-E307 IonicContact NH2-OE2 2.71Å; R279-E307 PolarHBondContact NH2-OE2 3.21Å |
| 280 | V | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.8 | 169 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | V218 L220 Y225 L227 A298 F299 | V218-V280 HydrophobicContact CB-CG1 4.05Å; V218-V280 HydrophobicContact CG1-CG1 4.07Å; V218-V280 HydrophobicContact CG1-CG2 4.06Å; V218-V280 HydrophobicContact CG2-CG1 4.24Å; L220-V280 HydrophobicContact CB-CG2 4.29Å; L220-V280 HydrophobicContact CD2-CG2 3.97Å; Y225-V280 HydrophobicContact CD1-CG2 4.22Å; Y225-V280 HydrophobicContact CD2-CG2 3.64Å; Y225-V280 HydrophobicContact CE1-CG2 4.37Å; Y225-V280 HydrophobicContact CE2-CG2 3.82Å; Y225-V280 HydrophobicContact CG-CG2 3.85Å; L227-V280 HydrophobicContact CD1-CG1 3.63Å; L227-V280 HydrophobicContact CD2-CG1 4.25Å; V280-A298 CarbonylContact O-C 3.55Å; V280-A298 VanDerWaalsContact O-CA 3.31Å; V280-A298 WeakPolarHBondContact O-CA 3.48Å; V280-F299 HydrophobicContact CB-CB 4.23Å; V280-F299 PolarHBondContact N-O 2.79Å; V280-F299 VanDerWaalsContact N-O 3.14Å; V280-F299 PolarHBondContact O-N 2.81Å |
| 281 | I | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141.9 | -175 | -58.1 | -172.2 | 0 | 0 | 0 | 109.8 | F9 A273 G274 L276 R279 A298 L309 L328 L345 | F9-I281 HydrophobicContact CD1-CD1 4.05Å; F9-I281 HydrophobicContact CE1-CD1 3.56Å; F9-I281 HydrophobicContact CZ-CD1 4.35Å; A273-I281 WeakPolarHBondContact CA-O 3.45Å; A273-I281 WeakPolarHBondContact CB-O 3.27Å; G274-I281 PolarHBondContact N-O 2.79Å; G274-I281 VanDerWaalsContact N-O 3.14Å; G274-I281 PolarHBondContact O-N 2.88Å; L276-I281 HydrophobicContact CB-CD1 3.67Å; L276-I281 HydrophobicContact CB-CG1 4.39Å; L276-I281 HydrophobicContact CD2-CD1 3.78Å; L276-I281 HydrophobicContact CG-CD1 4.15Å; R279-I281 HydrophobicContact CB-CG1 4.49Å; I281-A298 HydrophobicContact CG1-CB 4.18Å; I281-L309 HydrophobicContact CD1-CD1 4.19Å; I281-L309 HydrophobicContact CG1-CD1 4.41Å; I281-L309 HydrophobicContact CG2-CD1 3.94Å; I281-L328 HydrophobicContact CB-CD2 3.99Å; I281-L328 HydrophobicContact CG2-CD2 3.84Å; I281-L345 HydrophobicContact CD1-CD2 3.66Å; I281-L345 HydrophobicContact CG2-CD2 3.7Å |
| 282 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.5 | 167.3 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | L227 L264 F271 V272 A273 A296 E297 W306 | L227-V282 HydrophobicContact CD1-CG1 3.85Å; L264-V282 HydrophobicContact CD2-CG2 3.92Å; F271-V282 HydrophobicContact CD2-CB 3.8Å; F271-V282 HydrophobicContact CD2-CG1 3.89Å; F271-V282 HydrophobicContact CE2-CB 3.93Å; F271-V282 HydrophobicContact CE2-CG1 3.5Å; V272-V282 CarbonylContact O-C 3.6Å; V272-V282 VanDerWaalsContact O-CA 3.25Å; V272-V282 WeakPolarHBondContact O-CA 3.38Å; A273-V282 HydrophobicContact CB-CG1 3.98Å; V282-A296 CarbonylContact O-C 3.5Å; V282-A296 VanDerWaalsContact O-CA 3.29Å; V282-A296 WeakPolarHBondContact O-CA 3.42Å; V282-E297 HydrophobicContact CG2-CG 3.27Å; V282-E297 PolarHBondContact N-O 3.05Å; V282-E297 PolarHBondContact O-N 3.22Å; V282-W306 HydrophobicContact CG1-CH2 4.25Å; V282-W306 HydrophobicContact CG2-CH2 4.18Å; V282-W306 HydrophobicContact CG2-CZ3 3.85Å |
| 283 | A | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 145 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W11 F271 V272 A296 M312 | W11-A283 HydrophobicContact CH2-CB 3.87Å; W11-A283 HydrophobicContact CZ2-CB 3.71Å; F271-A283 WeakPolarHBondContact CB-O 3.32Å; V272-A283 HydrophobicContact CB-CB 4.47Å; V272-A283 PolarHBondContact N-O 3.44Å; V272-A283 PolarHBondContact O-N 2.86Å; A283-A296 HydrophobicContact CB-CB 3.84Å; A283-M312 HydrophobicContact CB-CE 3.86Å |
| 284 | G | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 63.4 | -152.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R268 F271 L293 T295 | R268-G284 PolarHBondContact NH1-O 3.02Å; F271-G284 WeakPolarHBondContact CB-O 3.05Å; G284-L293 VanDerWaalsContact CA-O 3.25Å; G284-L293 WeakPolarHBondContact CA-O 3.29Å; G284-T295 PolarHBondContact N-O 3.19Å | ||
| 285 | G | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | 93.7 | -170.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A269 D270 L293 R316 | A269-G285 CarbonylContact O-C 3.52Å; A269-G285 WeakPolarHBondContact O-CA 3.48Å; D270-G285 WeakPolarHBondContact O-CA 3.44Å; G285-L293 WeakPolarHBondContact O-CB 3.33Å; G285-L293 WeakPolarHBondContact O-CG 3.3Å; G285-L293 PolarHBondContact O-N 2.96Å; G285-R316 PolarHBondContact N-O 3.34Å | ||
| 286 | L | 95.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 35.2 Ų | 35.2 | 33% | 0.33 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -100.9 | 136.1 | 179.3 | -64 | 171.2 | 0 | 0 | 0 | 110.8 | F241 R268 A269 V292 C317 | F241-L286 WeakPolarHBondContact CD1-O 3.43Å; F241-L286 HydrophobicContact CE1-CB 3.71Å; F241-L286 HydrophobicContact CZ-CB 4.06Å; R268-L286 CarbonylContact C-O 3.6Å; R268-L286 WeakPolarHBondContact CA-O 3.22Å; A269-L286 PolarHBondContact N-O 3.43Å; A269-L286 PolarHBondContact O-N 2.87Å; L286-V292 HydrophobicContact CD2-CG1 3.86Å; L286-C317 HydrophobicContact CD2-CB 4.16Å; L286-C317 HydrophobicContact CG-CB 3.8Å |
| 287 | G | 93.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | trans | -124.8 | -161.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F241 R267 Q289 | F241-G287 WeakPolarHBondContact CD2-O 3.35Å; F241-G287 WeakPolarHBondContact CE2-O 3.38Å; F241-G287 WeakPolarHBondContact CZ-O 3.5Å; R267-G287 WeakPolarHBondContact O-CA 3.24Å; G287-Q289 PolarHBondContact O-N 2.91Å | ||
| 288 | N | 90.8 | Very high | 95 | Very high | 110 Ų | 110 | 33.3 Ų | 33.3 | 59% | 0.588 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -73.1 | -7.6 | 174 | -71.6 | -0.6 | 0 | 0 | 0 | 113.4 | F241 | F241-N288 WeakPolarHBondContact CD2-OD1 3.31Š|
| 289 | Q | 87.7 | Confident | 95.2 | Very high | 97 Ų | 97 | 32.3 Ų | 32.3 | 45% | 0.453 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -82.9 | 154.4 | -179.1 | -70.8 | 148.3 | -38.1 | 0 | 0 | 109.7 | G287 T291 | G287-Q289 PolarHBondContact O-N 2.91Å; Q289-T291 PolarHBondContact O-N 3.37Å |
| 290 | P | 85.2 | Confident | 95.2 | Very high | 140 Ų | 140 | 33.1 Ų | 33.1 | 91% | 0.909 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -68.8 | -19.9 | 179.4 | 28.6 | -35 | 0 | 0 | 0 | 112.7 | ||
| 291 | T | 91.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 55% | 0.552 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -104.6 | 157.9 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | Q289 | Q289-T291 PolarHBondContact O-N 3.37Š|
| 292 | V | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | trans | -56.3 | 151 | 167.1 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | L286 P315 C317 N335 | L286-V292 HydrophobicContact CD2-CG1 3.86Å; V292-P315 HydrophobicContact CG2-CB 3.73Å; V292-P315 WeakPolarHBondContact CG2-O 3.31Å; V292-C317 HydrophobicContact CG1-CB 4.24Å; V292-N335 HydrophobicContact CG2-CB 4.22Å; V292-N335 VanDerWaalsContact CG2-OD1 3.28Å; V292-N335 WeakPolarHBondContact CG2-OD1 3.48Å | ||
| 293 | L | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -80.5 | 144.4 | 177.2 | -61.8 | 172.8 | 0 | 0 | 0 | 110.1 | R268 G284 G285 | R268-L293 HydrophobicContact CB-CD1 3.74Å; G284-L293 VanDerWaalsContact CA-O 3.25Å; G284-L293 WeakPolarHBondContact CA-O 3.29Å; G285-L293 WeakPolarHBondContact O-CB 3.33Å; G285-L293 WeakPolarHBondContact O-CG 3.3Å; G285-L293 PolarHBondContact O-N 2.96Å | ||
| 294 | E | 96.4 | Very high | 94 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | trans | -105.5 | -14.6 | 166.2 | 70.9 | -171.4 | 170 | 0 | 0 | 112.1 | A296 A311 M312 P315 | E294-A296 PolarHBondContact O-N 2.77Å; E294-A311 HydrophobicContact CB-CB 4.42Å; E294-A311 HydrophobicContact CG-CB 4.02Å; E294-M312 WeakPolarHBondContact O-CB 3.45Å; E294-M312 PolarHBondContact O-N 3.24Å; E294-P315 HydrophobicContact CB-CB 3.87Å; E294-P315 HydrophobicContact CB-CG 3.72Å | ||
| 295 | T | 97.4 | Very high | 93.8 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | trans | -68 | 131.9 | -170.1 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | K266 R268 G284 | K266-T295 HydrophobicContact CG-CG2 4.5Å; R268-T295 PolarHBondContact NH1-O 3.06Å; R268-T295 PolarHBondContact NH2-O 2.84Å; R268-T295 PolarHBondContact NH2-OG1 2.64Å; G284-T295 PolarHBondContact N-O 3.19Å | ||
| 296 | A | 97.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 145.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | W11 V282 A283 E294 L309 P310 | W11-A296 HydrophobicContact CZ2-CB 4.17Å; V282-A296 CarbonylContact O-C 3.5Å; V282-A296 VanDerWaalsContact O-CA 3.29Å; V282-A296 WeakPolarHBondContact O-CA 3.42Å; A283-A296 HydrophobicContact CB-CB 3.84Å; E294-A296 PolarHBondContact O-N 2.77Å; A296-L309 HydrophobicContact CB-CB 3.87Å; A296-L309 HydrophobicContact CB-CD1 4.49Å; A296-L309 PolarHBondContact O-N 2.9Å; A296-P310 WeakPolarHBondContact CB-O 3.37Å |
| 297 | E | 97.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.6 | 176.9 | 58.3 | -175.7 | 123.5 | 0 | 0 | 110.2 | L264 K265 K266 R268 V282 W306 E307 | L264-E297 WeakPolarHBondContact CA-OE2 3.37Å; K265-E297 VanDerWaalsContact CB-OE2 3.31Å; K265-E297 WeakPolarHBondContact CB-OE2 3.46Å; K265-E297 VanDerWaalsContact CG-OE2 3.32Å; K265-E297 WeakPolarHBondContact CG-OE2 3.07Å; K265-E297 PolarHBondContact N-OE1 2.87Å; K265-E297 PolarHBondContact N-OE2 3.09Å; K266-E297 PolarHBondContact N-OE1 2.91Å; R268-E297 IonicContact CZ-OE1 2.71Å; R268-E297 IonicContact NE-OE1 3.29Å; R268-E297 PolarHBondContact NE-OE1 3.25Å; R268-E297 IonicContact NH2-OE1 3.67Å; R268-E297 PolarHBondContact NH2-OE1 2.8Å; V282-E297 HydrophobicContact CG2-CG 3.27Å; V282-E297 PolarHBondContact N-O 3.05Å; V282-E297 PolarHBondContact O-N 3.22Å; E297-W306 HydrophobicContact CB-CE3 3.99Å; E297-W306 HydrophobicContact CB-CZ3 4.44Å; E297-W306 HydrophobicContact CG-CE3 3.65Å; E297-W306 HydrophobicContact CG-CZ3 3.79Å; E297-E307 CarbonylContact C-O 3.6Å; E297-E307 VanDerWaalsContact CA-O 3.3Å; E297-E307 WeakPolarHBondContact CA-O 3.19Å; E297-E307 WeakPolarHBondContact CB-O 3.49Å |
| 298 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | R279 V280 I281 W306 E307 L309 | R279-A298 HydrophobicContact CB-CB 4.35Å; V280-A298 CarbonylContact O-C 3.55Å; V280-A298 VanDerWaalsContact O-CA 3.31Å; V280-A298 WeakPolarHBondContact O-CA 3.48Å; I281-A298 HydrophobicContact CG1-CB 4.18Å; A298-W306 VanDerWaalsContact C-CE3 3.48Å; A298-W306 WeakPolarHBondContact O-CA 3.42Å; A298-E307 PolarHBondContact N-O 3.18Å; A298-E307 PolarHBondContact O-N 2.84Å; A298-L309 HydrophobicContact CB-CD1 3.75Å; A298-L309 HydrophobicContact CB-CD2 4.05Å; A298-L309 HydrophobicContact CB-CG 3.88Å |
| 299 | F | 96.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.022 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.6 | 169 | -176.5 | -106.1 | 0 | 0 | 0 | 109.6 | Y225 M245 F262 R279 V280 P301 N304 W306 | Y225-F299 AromaticContact CE1-CD1 3.99Å; Y225-F299 HydrophobicContact CE1-CD1 3.99Å; Y225-F299 AromaticContact CE1-CE1 3.86Å; Y225-F299 HydrophobicContact CE1-CE1 3.86Å; M245-F299 HydrophobicContact CE-CD1 3.97Å; M245-F299 HydrophobicContact CE-CD2 3.79Å; M245-F299 HydrophobicContact CE-CE1 3.77Å; M245-F299 HydrophobicContact CE-CE2 3.57Å; M245-F299 HydrophobicContact CE-CG 3.99Å; M245-F299 HydrophobicContact CE-CZ 3.56Å; M245-F299 HydrophobicContact SD-CD1 4.24Å; M245-F299 HydrophobicContact SD-CD2 4.42Å; M245-F299 HydrophobicContact SD-CG 4.17Å; F262-F299 HydrophobicContact CD1-CZ 4.49Å; F262-F299 HydrophobicContact CE1-CZ 4.33Å; R279-F299 WeakPolarHBondContact CA-O 3.46Å; V280-F299 HydrophobicContact CB-CB 4.23Å; V280-F299 PolarHBondContact N-O 2.79Å; V280-F299 VanDerWaalsContact N-O 3.14Å; V280-F299 PolarHBondContact O-N 2.81Å; F299-P301 HydrophobicContact CD1-CG 4.3Å; F299-P301 HydrophobicContact CE1-CB 4.34Å; F299-P301 HydrophobicContact CE1-CG 4.4Å; F299-P301 WeakPolarHBondContact O-CD 3.27Å; F299-N304 WeakPolarHBondContact CZ-OD1 3.21Å; F299-W306 HydrophobicContact CB-CD2 3.82Å; F299-W306 HydrophobicContact CB-CE3 3.84Å; F299-W306 HydrophobicContact CB-CH2 3.8Å; F299-W306 HydrophobicContact CB-CZ2 3.79Å; F299-W306 HydrophobicContact CB-CZ3 3.82Å; F299-W306 AromaticContact CD2-CD1 3.8Å; F299-W306 HydrophobicContact CD2-CD2 4.13Å; F299-W306 AromaticContact CD2-CE2 3.87Å; F299-W306 HydrophobicContact CD2-CG 4.1Å; F299-W306 HydrophobicContact CD2-CZ2 4.47Å; F299-W306 AromaticContact CD2-NE1 3.61Å; F299-W306 HydrophobicContact CG-CD2 4.46Å; F299-W306 HydrophobicContact CG-CZ2 4.36Å |
| 300 | H | 94.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.9 | 172.1 | -169.9 | -32.8 | 0 | 0 | 0 | 109.1 | R279 G302 K303 N304 K305 | R279-H300 PolarHBondContact NH2-CD2 3.19Å; R279-H300 VanDerWaalsContact NH2-CD2 3.34Å; H300-G302 PolarHBondContact ND1-N 3.04Å; H300-G302 PolarHBondContact O-N 2.75Å; H300-K303 HydrophobicContact CB-CB 4.13Å; H300-K303 PolarHBondContact ND1-N 3.43Å; H300-K303 PolarHBondContact O-N 2.76Å; H300-N304 WeakPolarHBondContact O-CA 3.41Å; H300-N304 PolarHBondContact O-N 2.85Å; H300-K305 PolarHBondContact N-O 2.96Å; H300-K305 PolarHBondContact O-N 2.65Å |
| 301 | P | 91.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -48.6 | -177.4 | -23.7 | 33.9 | 0 | 0 | 0 | 112.7 | L220 G278 F299 K303 N304 | L220-P301 HydrophobicContact CD2-CG 3.62Å; G278-P301 WeakPolarHBondContact O-CD 3.32Å; F299-P301 HydrophobicContact CD1-CG 4.3Å; F299-P301 HydrophobicContact CE1-CB 4.34Å; F299-P301 HydrophobicContact CE1-CG 4.4Å; F299-P301 WeakPolarHBondContact O-CD 3.27Å; P301-K303 VanDerWaalsContact C-N 3.32Å; P301-K303 PolarHBondContact O-N 3.43Å; P301-N304 PolarHBondContact O-N 3.12Å |
| 302 | G | 89.9 | Confident | 95.5 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 74% | 0.742 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H300 | H300-G302 PolarHBondContact ND1-N 3.04Å; H300-G302 PolarHBondContact O-N 2.75Å |
| 303 | K | 91.6 | Very high | 95.6 | Very high | 123 Ų | 123 | 43 Ų | 43 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6 | 174.9 | -63.2 | -177.9 | -171.7 | 175.3 | 0 | 113.2 | H300 P301 K305 | H300-K303 HydrophobicContact CB-CB 4.13Å; H300-K303 PolarHBondContact ND1-N 3.43Å; H300-K303 PolarHBondContact O-N 2.76Å; P301-K303 VanDerWaalsContact C-N 3.32Å; P301-K303 PolarHBondContact O-N 3.43Å; K303-K305 VanDerWaalsContact C-N 3.31Å; K303-K305 HydrophobicContact CB-CB 4.45Å; K303-K305 PolarHBondContact O-N 2.95Å |
| 304 | N | 92.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 52 | -174 | -169.7 | 17.3 | 0 | 0 | 0 | 112.8 | E259 S261 F262 F299 H300 P301 | E259-N304 PolarHBondContact OE2-ND2 2.96Å; S261-N304 WeakPolarHBondContact CB-O 3.29Å; S261-N304 WeakPolarHBondContact CB-OD1 3.12Å; S261-N304 VanDerWaalsContact OG-CG 3.25Å; S261-N304 PolarHBondContact OG-ND2 2.8Å; S261-N304 PolarHBondContact OG-OD1 3.3Å; F262-N304 WeakPolarHBondContact CE1-OD1 3.3Å; F299-N304 WeakPolarHBondContact CZ-OD1 3.21Å; H300-N304 WeakPolarHBondContact O-CA 3.41Å; H300-N304 PolarHBondContact O-N 2.85Å; P301-N304 PolarHBondContact O-N 3.12Å |
| 305 | K | 94.5 | Very high | 95.5 | Very high | 115 Ų | 115 | 41.3 Ų | 41.3 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 140.6 | -172.3 | -174.3 | 179.4 | 176.6 | -172.6 | 0 | 112.5 | H300 K303 | H300-K305 PolarHBondContact N-O 2.96Å; H300-K305 PolarHBondContact O-N 2.65Å; K303-K305 VanDerWaalsContact C-N 3.31Å; K303-K305 HydrophobicContact CB-CB 4.45Å; K303-K305 PolarHBondContact O-N 2.95Å |
| 306 | W | 96.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.9 | 165.3 | -71.4 | 95.3 | 0 | 0 | 0 | 111.5 | L227 M245 S261 F263 L264 K265 V282 E297 A298 F299 | L227-W306 HydrophobicContact CD2-CH2 4Å; L227-W306 HydrophobicContact CD2-CZ2 3.97Å; M245-W306 HydrophobicContact CB-CZ2 4.49Å; M245-W306 HydrophobicContact SD-CZ2 3.6Å; M245-W306 VanDerWaalsContact SD-CZ2 3.6Å; S261-W306 PolarHBondContact O-NE1 2.59Å; F263-W306 VanDerWaalsContact O-CD1 3.27Å; L264-W306 HydrophobicContact CD1-CH2 4.32Å; L264-W306 HydrophobicContact CD1-CZ2 3.69Å; L264-W306 HydrophobicContact CG-CH2 3.96Å; L264-W306 HydrophobicContact CG-CZ2 3.67Å; K265-W306 HydrophobicContact CD-CB 4.46Å; K265-W306 WeakPolarHBondContact CE-O 3.34Å; K265-W306 HydrophobicContact CG-CB 4.15Å; K265-W306 PolarHBondContact NZ-O 2.83Å; V282-W306 HydrophobicContact CG1-CH2 4.25Å; V282-W306 HydrophobicContact CG2-CH2 4.18Å; V282-W306 HydrophobicContact CG2-CZ3 3.85Å; E297-W306 HydrophobicContact CB-CE3 3.99Å; E297-W306 HydrophobicContact CB-CZ3 4.44Å; E297-W306 HydrophobicContact CG-CE3 3.65Å; E297-W306 HydrophobicContact CG-CZ3 3.79Å; A298-W306 VanDerWaalsContact C-CE3 3.48Å; A298-W306 WeakPolarHBondContact O-CA 3.42Å; F299-W306 HydrophobicContact CB-CD2 3.82Å; F299-W306 HydrophobicContact CB-CE3 3.84Å; F299-W306 HydrophobicContact CB-CH2 3.8Å; F299-W306 HydrophobicContact CB-CZ2 3.79Å; F299-W306 HydrophobicContact CB-CZ3 3.82Å; F299-W306 AromaticContact CD2-CD1 3.8Å; F299-W306 HydrophobicContact CD2-CD2 4.13Å; F299-W306 AromaticContact CD2-CE2 3.87Å; F299-W306 HydrophobicContact CD2-CG 4.1Å; F299-W306 HydrophobicContact CD2-CZ2 4.47Å; F299-W306 AromaticContact CD2-NE1 3.61Å; F299-W306 HydrophobicContact CG-CD2 4.46Å; F299-W306 HydrophobicContact CG-CZ2 4.36Å |
| 307 | E | 96.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.3 | 176.8 | -55 | -178.4 | 127.3 | 0 | 0 | 109.5 | V6 R279 E297 A298 | V6-E307 HydrophobicContact CG1-CB 3.41Å; V6-E307 VanDerWaalsContact CG1-CB 3.41Å; V6-E307 HydrophobicContact CG1-CG 4.32Å; R279-E307 IonicContact CZ-OE2 2.66Å; R279-E307 VanDerWaalsContact CZ-OE2 3.29Å; R279-E307 IonicContact NH1-OE2 3.38Å; R279-E307 PolarHBondContact NH1-OE2 2.9Å; R279-E307 IonicContact NH2-OE2 2.71Å; R279-E307 PolarHBondContact NH2-OE2 3.21Å; E297-E307 CarbonylContact C-O 3.6Å; E297-E307 VanDerWaalsContact CA-O 3.3Å; E297-E307 WeakPolarHBondContact CA-O 3.19Å; E297-E307 WeakPolarHBondContact CB-O 3.49Å; A298-E307 PolarHBondContact N-O 3.18Å; A298-E307 PolarHBondContact O-N 2.84Å |
| 308 | I | 96.8 | Very high | 95.3 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 135.6 | -179 | -63.4 | 171.9 | 0 | 0 | 0 | 108.2 | ||
| 309 | L | 97.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 165.8 | 172.6 | -66.6 | -176.6 | 0 | 0 | 0 | 110.4 | V6 F9 I281 A296 A298 A311 L345 | V6-L309 HydrophobicContact CB-CD2 3.92Å; V6-L309 HydrophobicContact CG1-CD2 3.8Å; F9-L309 HydrophobicContact CB-CD2 3.92Å; F9-L309 HydrophobicContact CD1-CD1 4.5Å; F9-L309 HydrophobicContact CD2-CD2 3.72Å; F9-L309 HydrophobicContact CE2-CD2 4.42Å; F9-L309 HydrophobicContact CG-CD1 4.48Å; F9-L309 HydrophobicContact CG-CD2 3.79Å; I281-L309 HydrophobicContact CD1-CD1 4.19Å; I281-L309 HydrophobicContact CG1-CD1 4.41Å; I281-L309 HydrophobicContact CG2-CD1 3.94Å; A296-L309 HydrophobicContact CB-CB 3.87Å; A296-L309 HydrophobicContact CB-CD1 4.49Å; A296-L309 PolarHBondContact O-N 2.9Å; A298-L309 HydrophobicContact CB-CD1 3.75Å; A298-L309 HydrophobicContact CB-CD2 4.05Å; A298-L309 HydrophobicContact CB-CG 3.88Å; L309-A311 PolarHBondContact O-N 3.06Å; L309-L345 HydrophobicContact CD1-CD2 3.73Å |
| 310 | P | 96.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 42 Ų | 42 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 141.4 | 169 | -28.4 | 38.4 | 0 | 0 | 0 | 111.9 | F9 W11 A296 | F9-P310 WeakPolarHBondContact O-CG 3.19Å; W11-P310 PolarHBondContact NE1-O 3.48Å; A296-P310 WeakPolarHBondContact CB-O 3.37Å |
| 311 | A | 96.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | W11 E294 L309 | W11-A311 PolarHBondContact NE1-O 3.39Å; E294-A311 HydrophobicContact CB-CB 4.42Å; E294-A311 HydrophobicContact CG-CB 4.02Å; L309-A311 PolarHBondContact O-N 3.06Å |
| 312 | M | 96.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 126.1 | 170.8 | -179.4 | 178.6 | -91.3 | 0 | 0 | 109 | W11 V272 A283 E294 T314 R316 A330 E343 | W11-M312 HydrophobicContact CH2-CB 4.43Å; W11-M312 HydrophobicContact CH2-CE 3.54Å; W11-M312 HydrophobicContact CH2-CG 4.32Å; W11-M312 HydrophobicContact CZ2-CB 4Å; W11-M312 HydrophobicContact CZ2-CE 4.2Å; W11-M312 HydrophobicContact CZ2-CG 4.38Å; W11-M312 HydrophobicContact CZ3-CE 4.09Å; V272-M312 HydrophobicContact CG2-CE 4.24Å; A283-M312 HydrophobicContact CB-CE 3.86Å; E294-M312 WeakPolarHBondContact O-CB 3.45Å; E294-M312 PolarHBondContact O-N 3.24Å; M312-T314 WeakPolarHBondContact CG-O 3.32Å; M312-T314 PolarHBondContact O-N 2.79Å; M312-T314 VanDerWaalsContact O-N 3.17Å; M312-T314 VanDerWaalsContact SD-O 3.38Å; M312-R316 HydrophobicContact SD-CG 3.94Å; M312-R316 PolarHBondContact SD-NH1 3Å; M312-A330 HydrophobicContact CE-CB 3.61Å; M312-E343 WeakPolarHBondContact CG-OE2 3.44Å |
| 313 | P | 97 | Very high | 95.7 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 31% | 0.305 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -61.2 | -27.5 | -173 | -20 | 24 | 0 | 0 | 0 | 114.6 | W11 R13 E343 | W11-P313 HydrophobicContact CB-CG 3.64Å; W11-P313 HydrophobicContact CG-CG 4.12Å; R13-P313 HydrophobicContact CG-CB 4.46Å; P313-E343 WeakPolarHBondContact CB-OE1 3.17Å; P313-E343 WeakPolarHBondContact CD-OE2 3.17Å |
| 314 | T | 96.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 37 Ų | 37 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -121.9 | 109.8 | 174.4 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | M312 R316 A341 E343 | M312-T314 WeakPolarHBondContact CG-O 3.32Å; M312-T314 PolarHBondContact O-N 2.79Å; M312-T314 VanDerWaalsContact O-N 3.17Å; M312-T314 VanDerWaalsContact SD-O 3.38Å; T314-R316 WeakPolarHBondContact O-CG 3.44Å; T314-R316 PolarHBondContact O-N 3.05Å; T314-R316 PolarHBondContact O-NH1 3.31Å; T314-A341 HydrophobicContact CG2-CB 4.43Å; T314-E343 VanDerWaalsContact CB-OE1 3.23Å; T314-E343 WeakPolarHBondContact CB-OE1 3.35Å; T314-E343 PolarHBondContact N-OE1 3.43Å; T314-E343 PolarHBondContact N-OE2 3.41Å; T314-E343 PolarHBondContact OG1-OE1 3.06Å |
| 315 | P | 96.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | trans | -62.6 | 128.5 | 178.7 | -17.3 | 28.6 | 0 | 0 | 0 | 110.9 | V292 E294 N335 | V292-P315 HydrophobicContact CG2-CB 3.73Å; V292-P315 WeakPolarHBondContact CG2-O 3.31Å; E294-P315 HydrophobicContact CB-CB 3.87Å; E294-P315 HydrophobicContact CB-CG 3.72Å; P315-N335 PolarHBondContact O-ND2 3.1Å | ||
| 316 | R | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | trans | -165.1 | 163 | -178.4 | 53.5 | -172.3 | -169.7 | -73.4 | 7.3 | 114.6 | G285 M312 T314 C319 A330 G332 V334 E343 | G285-R316 PolarHBondContact N-O 3.34Å; M312-R316 HydrophobicContact SD-CG 3.94Å; M312-R316 PolarHBondContact SD-NH1 3Å; T314-R316 WeakPolarHBondContact O-CG 3.44Å; T314-R316 PolarHBondContact O-N 3.05Å; T314-R316 PolarHBondContact O-NH1 3.31Å; R316-C319 VanDerWaalsContact CD-SG 3.6Å; R316-C319 WeakPolarHBondContact CG-SG 3.35Å; R316-C319 PolarHBondContact NE-SG 2.89Å; R316-A330 PolarHBondContact NH2-O 3.06Å; R316-G332 WeakPolarHBondContact CD-O 3.47Å; R316-G332 PolarHBondContact NE-O 2.78Å; R316-V334 WeakPolarHBondContact CA-O 3.35Å; R316-V334 WeakPolarHBondContact CB-O 3.34Å; R316-E343 IonicContact CZ-OE2 2.74Å; R316-E343 VanDerWaalsContact NH1-CD 3.26Å; R316-E343 IonicContact NH1-OE1 2.67Å; R316-E343 IonicContact NH1-OE2 2.79Å; R316-E343 PolarHBondContact NH1-OE2 3.23Å; R316-E343 IonicContact NH2-OE2 3.2Å; R316-E343 PolarHBondContact NH2-OE2 3.38Å; R316-E343 VanDerWaalsContact NH2-OE2 3.15Å | ||
| 317 | C | 96.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -124.9 | -178.8 | 170.7 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | D270 L286 V292 C319 G333 V334 | D270-C317 HydrophobicContact CB-CB 4.48Å; D270-C317 WeakPolarHBondContact O-CA 3.34Å; D270-C317 WeakPolarHBondContact O-CB 3.33Å; L286-C317 HydrophobicContact CD2-CB 4.16Å; L286-C317 HydrophobicContact CG-CB 3.8Å; V292-C317 HydrophobicContact CG1-CB 4.24Å; C317-C319 PolarHBondContact O-N 3.06Å; C317-G333 CarbonylContact O-C 3.59Å; C317-G333 VanDerWaalsContact O-CA 3.23Å; C317-G333 WeakPolarHBondContact O-CA 3.27Å; C317-V334 PolarHBondContact N-O 3.17Å; C317-V334 PolarHBondContact O-N 2.9Å |
| 318 | A | 95.2 | Very high | 95 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 56.1 | 22.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V22 D270 V334 | V22-A318 HydrophobicContact CG2-CB 4.39Å; D270-A318 PolarHBondContact O-N 2.75Å; D270-A318 VanDerWaalsContact O-N 3.16Å; D270-A318 WeakPolarHBondContact OD2-CA 3.11Å; D270-A318 VanDerWaalsContact OD2-CB 3.3Å; D270-A318 WeakPolarHBondContact OD2-CB 2.93Å; D270-A318 PolarHBondContact OD2-N 2.94Å; D270-A318 VanDerWaalsContact OD2-N 3.15Å; A318-V334 HydrophobicContact CB-CG2 4.09Å |
| 319 | C | 95.6 | Very high | 95 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 13% | 0.128 | 20% | 0.197 | C | C | . | . | trans | -70.6 | 143.9 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | V272 R316 C317 G332 | V272-C319 HydrophobicContact CG2-CB 3.46Å; V272-C319 VanDerWaalsContact CG2-CB 3.46Å; R316-C319 VanDerWaalsContact CD-SG 3.6Å; R316-C319 WeakPolarHBondContact CG-SG 3.35Å; R316-C319 PolarHBondContact NE-SG 2.89Å; C317-C319 PolarHBondContact O-N 3.06Å; C319-G332 PolarHBondContact SG-O 3.39Å | ||
| 320 | S | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 137.9 | 160.1 | -56.7 | 0 | 0 | 0 | 0 | 108.6 | C24 V331 | C24-S320 PolarHBondContact O-OG 2.88Å; S320-V331 PolarHBondContact N-O 3.31Å; S320-V331 VanDerWaalsContact N-O 3.13Å; S320-V331 PolarHBondContact O-N 3.44Å |
| 321 | S | 96.1 | Very high | 95.1 | Very high | 45 Ų | 45 | 29.6 Ų | 29.6 | 32% | 0.315 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.8 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | L329 | S321-L329 WeakPolarHBondContact CA-O 3.34Å; S321-L329 WeakPolarHBondContact CB-O 3.28Å |
| 322 | I | 96.4 | Very high | 95.1 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 149.1 | 179 | -167.4 | 160.7 | 0 | 0 | 0 | 110 | L26 E28 V33 V324 L329 | L26-I322 HydrophobicContact CB-CB 4.21Å; L26-I322 HydrophobicContact CB-CD1 4.21Å; L26-I322 HydrophobicContact CB-CG2 4.26Å; L26-I322 HydrophobicContact CD1-CB 4.12Å; L26-I322 HydrophobicContact CD1-CG2 3.76Å; E28-I322 HydrophobicContact CB-CD1 3.62Å; E28-I322 HydrophobicContact CB-CG1 4.4Å; E28-I322 VanDerWaalsContact N-CD1 3.26Å; V33-I322 HydrophobicContact CG1-CG2 4.09Å; V33-I322 HydrophobicContact CG2-CG2 4.36Å; I322-V324 HydrophobicContact CG1-CG2 4.28Å; I322-V324 HydrophobicContact CG2-CG2 4.17Å; I322-L329 HydrophobicContact CG2-CB 4.12Å; I322-L329 PolarHBondContact N-O 2.84Å; I322-L329 PolarHBondContact O-N 3.33Å |
| 323 | V | 94.6 | Very high | 95 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.4 | 175 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | S275 C327 L328 | S275-V323 WeakPolarHBondContact O-CG2 3.3Å; V323-C327 CarbonylContact C-O 3.55Å; V323-C327 VanDerWaalsContact CA-O 3.29Å; V323-C327 WeakPolarHBondContact CA-O 3.36Å; V323-L328 HydrophobicContact CG2-CD1 3.82Å |
| 324 | V | 91.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 27 Ų | 27 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.1 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | E28 V33 P54 I322 N326 C327 L329 | E28-V324 HydrophobicContact CB-CG2 4.01Å; E28-V324 HydrophobicContact CG-CG1 4.26Å; E28-V324 HydrophobicContact CG-CG2 3.69Å; V33-V324 HydrophobicContact CG2-CB 4.35Å; V33-V324 HydrophobicContact CG2-CG1 4.42Å; V33-V324 HydrophobicContact CG2-CG2 3.46Å; V33-V324 VanDerWaalsContact CG2-CG2 3.46Å; P54-V324 HydrophobicContact CG-CG1 4.19Å; I322-V324 HydrophobicContact CG1-CG2 4.28Å; I322-V324 HydrophobicContact CG2-CG2 4.17Å; V324-N326 VanDerWaalsContact C-N 3.29Å; V324-N326 PolarHBondContact O-N 2.93Å; V324-N326 VanDerWaalsContact O-N 3.11Å; V324-C327 PolarHBondContact N-O 2.7Å; V324-C327 PolarHBondContact O-N 3.09Å; V324-L329 HydrophobicContact CB-CD1 4.48Å |
| 325 | K | 83.1 | Confident | 94.7 | Very high | 115 Ų | 115 | 28.8 Ų | 28.8 | 50% | 0.5 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 50.7 | 173.8 | -63.5 | -179 | 178 | -176.5 | 0 | 113.4 | E55 C327 | E55-K325 IonicContact OE1-NZ 3.15Å; E55-K325 PolarHBondContact OE1-NZ 3.5Å; K325-C327 PolarHBondContact O-N 2.89Å |
| 326 | N | 88 | Confident | 94.3 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 29.5 | -176.8 | -64.9 | -12.8 | 0 | 0 | 0 | 116.5 | L276 V324 | L276-N326 HydrophobicContact CD1-CB 4.27Å; L276-N326 WeakPolarHBondContact CD1-O 3.46Å; V324-N326 VanDerWaalsContact C-N 3.29Å; V324-N326 PolarHBondContact O-N 2.93Å; V324-N326 VanDerWaalsContact O-N 3.11Å |
| 327 | C | 94.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 139.6 | 170.7 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | V323 V324 K325 L329 A344 L345 C346 | V323-C327 CarbonylContact C-O 3.55Å; V323-C327 VanDerWaalsContact CA-O 3.29Å; V323-C327 WeakPolarHBondContact CA-O 3.36Å; V324-C327 PolarHBondContact N-O 2.7Å; V324-C327 PolarHBondContact O-N 3.09Å; K325-C327 PolarHBondContact O-N 2.89Å; C327-L329 HydrophobicContact CB-CD1 3.74Å; C327-A344 HydrophobicContact CB-CB 4.11Å; C327-L345 CarbonylContact C-O 3.52Å; C327-L345 VanDerWaalsContact CA-O 3.28Å; C327-L345 WeakPolarHBondContact CA-O 3.43Å; C327-C346 HydrophobicContact CB-CB 4.17Å; C327-C346 WeakPolarHBondContact CB-SG 3.14Å; C327-C346 WeakPolarHBondContact SG-CB 3.49Å; C327-C346 CovalentContact SG-SG 2.04Å; C327-C346 PolarHBondContact SG-SG 2.98Å |
| 328 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.1 | 167.3 | 175.2 | 60.2 | 0 | 0 | 0 | 108.4 | V272 L276 I281 V323 A344 L345 | V272-L328 HydrophobicContact CG1-CD1 4.09Å; V272-L328 HydrophobicContact CG1-CD2 3.84Å; V272-L328 HydrophobicContact CG1-CG 3.93Å; L276-L328 HydrophobicContact CD2-CB 4.36Å; I281-L328 HydrophobicContact CB-CD2 3.99Å; I281-L328 HydrophobicContact CG2-CD2 3.84Å; V323-L328 HydrophobicContact CG2-CD1 3.82Å; L328-A344 WeakPolarHBondContact O-CA 3.28Å; L328-L345 PolarHBondContact N-O 2.77Å; L328-L345 PolarHBondContact O-N 3.32Å |
| 329 | L | 97.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.6 | 178.4 | -80.8 | 63.2 | 0 | 0 | 0 | 110 | L14 V33 Y52 S321 I322 V324 C327 V331 E343 A344 | L14-L329 HydrophobicContact CD1-CD2 4.47Å; L14-L329 HydrophobicContact CD1-CG 4.34Å; V33-L329 HydrophobicContact CG2-CD2 4.25Å; Y52-L329 HydrophobicContact CD1-CD2 4.37Å; Y52-L329 HydrophobicContact CE1-CD2 4.31Å; S321-L329 WeakPolarHBondContact CA-O 3.34Å; S321-L329 WeakPolarHBondContact CB-O 3.28Å; I322-L329 HydrophobicContact CG2-CB 4.12Å; I322-L329 PolarHBondContact N-O 2.84Å; I322-L329 PolarHBondContact O-N 3.33Å; V324-L329 HydrophobicContact CB-CD1 4.48Å; C327-L329 HydrophobicContact CB-CD1 3.74Å; L329-V331 HydrophobicContact CB-CG2 4.38Å; L329-E343 WeakPolarHBondContact CA-O 3.42Å; L329-A344 HydrophobicContact CD1-CB 3.94Å; L329-A344 HydrophobicContact CG-CB 4.15Å |
| 330 | A | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 107.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | V272 M312 R316 E343 | V272-A330 HydrophobicContact CG1-CB 4.34Å; V272-A330 HydrophobicContact CG2-CB 3.77Å; M312-A330 HydrophobicContact CE-CB 3.61Å; R316-A330 PolarHBondContact NH2-O 3.06Å; A330-E343 PolarHBondContact N-O 2.99Å; A330-E343 PolarHBondContact O-N 2.86Å; A330-E343 VanDerWaalsContact O-N 3.08Å |
| 331 | V | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.5 | -172.4 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | L17 L26 W59 S320 L329 V342 | L17-V331 HydrophobicContact CD1-CG1 4Å; L17-V331 HydrophobicContact CD2-CG1 4.08Å; L17-V331 HydrophobicContact CG-CG1 4.48Å; L26-V331 HydrophobicContact CD1-CB 3.91Å; L26-V331 HydrophobicContact CD1-CG2 3.59Å; L26-V331 HydrophobicContact CD2-CB 4.23Å; L26-V331 HydrophobicContact CD2-CG1 4.23Å; L26-V331 HydrophobicContact CD2-CG2 4.13Å; W59-V331 HydrophobicContact CH2-CG1 4.33Å; W59-V331 HydrophobicContact CZ2-CG1 4.27Å; S320-V331 PolarHBondContact N-O 3.31Å; S320-V331 VanDerWaalsContact N-O 3.13Å; S320-V331 PolarHBondContact O-N 3.44Å; L329-V331 HydrophobicContact CB-CG2 4.38Å; V331-V342 HydrophobicContact CG1-CG2 4.17Å; V331-V342 HydrophobicContact CG2-CG1 4.23Å |
| 332 | G | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 60.8 | -144.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | R316 C319 S339 A341 | R316-G332 WeakPolarHBondContact CD-O 3.47Å; R316-G332 PolarHBondContact NE-O 2.78Å; C319-G332 PolarHBondContact SG-O 3.39Å; G332-S339 VanDerWaalsContact CA-O 3.27Å; G332-S339 WeakPolarHBondContact CA-O 3.35Å; G332-A341 PolarHBondContact N-O 3.19Å | ||
| 333 | G | 95.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | 106.5 | -166.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C317 S339 | C317-G333 CarbonylContact O-C 3.59Å; C317-G333 VanDerWaalsContact O-CA 3.23Å; C317-G333 WeakPolarHBondContact O-CA 3.27Å; G333-S339 PolarHBondContact O-N 2.82Å | ||
| 334 | V | 94.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 26% | 0.255 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -128.8 | 137.4 | -169.7 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | V22 R316 C317 A318 L338 | V22-V334 HydrophobicContact CB-CG2 4.4Å; V22-V334 HydrophobicContact CG2-CG2 4.41Å; R316-V334 WeakPolarHBondContact CA-O 3.35Å; R316-V334 WeakPolarHBondContact CB-O 3.34Å; C317-V334 PolarHBondContact N-O 3.17Å; C317-V334 PolarHBondContact O-N 2.9Å; A318-V334 HydrophobicContact CB-CG2 4.09Å; V334-L338 HydrophobicContact CG2-CD2 3.75Å |
| 335 | N | 91.5 | Very high | 94.7 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -132.2 | -107.3 | 163.2 | -176.3 | 7.2 | 0 | 0 | 0 | 109.6 | V292 P315 G337 | V292-N335 HydrophobicContact CG2-CB 4.22Å; V292-N335 VanDerWaalsContact CG2-OD1 3.28Å; V292-N335 WeakPolarHBondContact CG2-OD1 3.48Å; P315-N335 PolarHBondContact O-ND2 3.1Å; N335-G337 PolarHBondContact N-O 2.83Å |
| 336 | Q | 87.3 | Confident | 95.3 | Very high | 198 Ų | 198 | 28.6 Ų | 28.6 | 93% | 0.925 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -76.3 | -14.7 | 171 | -66.5 | -178.2 | -3.6 | 0 | 0 | 112.8 | ||
| 337 | G | 92.2 | Very high | 95.4 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 38% | 0.381 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -163.8 | -170 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | N335 | N335-G337 PolarHBondContact N-O 2.83Š|
| 338 | L | 95.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 12% | 0.12 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 138.7 | 173.6 | -59.2 | -170.1 | 0 | 0 | 0 | 111 | R20 V22 D41 V334 | R20-L338 HydrophobicContact CB-CB 4.18Å; V22-L338 HydrophobicContact CB-CD2 3.91Å; V22-L338 HydrophobicContact CG1-CD1 3.88Å; V22-L338 HydrophobicContact CG1-CD2 3.32Å; V22-L338 HydrophobicContact CG1-CG 4.25Å; D41-L338 HydrophobicContact CB-CD1 4.47Å; D41-L338 VanDerWaalsContact OD1-CB 3.23Å; D41-L338 WeakPolarHBondContact OD1-CB 3.38Å; D41-L338 WeakPolarHBondContact OD1-CG 3.36Å; D41-L338 PolarHBondContact OD1-N 3.09Å; V334-L338 HydrophobicContact CG2-CD2 3.75Å |
| 339 | S | 95.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | trans | -101.6 | 141 | 177 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | G332 G333 A341 | G332-S339 VanDerWaalsContact CA-O 3.27Å; G332-S339 WeakPolarHBondContact CA-O 3.35Å; G333-S339 PolarHBondContact O-N 2.82Å; S339-A341 VanDerWaalsContact C-N 3.35Å; S339-A341 WeakPolarHBondContact OG-CB 3.48Å; S339-A341 PolarHBondContact OG-N 3.42Å; S339-A341 VanDerWaalsContact OG-N 3.09Å | ||
| 340 | D | 96.4 | Very high | 90.4 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | trans | -91.6 | 2.1 | 164.3 | 41.6 | 26.7 | 0 | 0 | 0 | 111.9 | P16 L17 R20 V342 | P16-D340 CarbonylContact C-O 3.49Å; P16-D340 WeakPolarHBondContact CA-O 3.38Å; P16-D340 HydrophobicContact CB-CB 4.19Å; L17-D340 HydrophobicContact CB-CB 4.37Å; L17-D340 PolarHBondContact N-O 2.95Å; L17-D340 VanDerWaalsContact O-CB 3.26Å; L17-D340 WeakPolarHBondContact O-CB 3.47Å; R20-D340 HydrophobicContact CG-CB 3.66Å; R20-D340 IonicContact CZ-OD2 3.32Å; R20-D340 IonicContact NE-OD2 3.21Å; R20-D340 PolarHBondContact NE-OD2 3.09Å; R20-D340 IonicContact NH2-OD2 2.75Å; D340-V342 PolarHBondContact O-N 2.9Å | ||
| 341 | A | 97.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | trans | -62 | 129.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T314 G332 S339 | T314-A341 HydrophobicContact CG2-CB 4.43Å; G332-A341 PolarHBondContact N-O 3.19Å; S339-A341 VanDerWaalsContact C-N 3.35Å; S339-A341 WeakPolarHBondContact OG-CB 3.48Å; S339-A341 PolarHBondContact OG-N 3.42Å; S339-A341 VanDerWaalsContact OG-N 3.09Å | ||
| 342 | V | 97.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117 | 169.1 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | L14 A15 L17 W59 V331 D340 | L14-V342 HydrophobicContact CB-CB 4.21Å; L14-V342 HydrophobicContact CB-CG1 3.95Å; L14-V342 HydrophobicContact CD1-CG1 4.08Å; L14-V342 PolarHBondContact N-O 3.15Å; A15-V342 WeakPolarHBondContact O-CB 3.39Å; A15-V342 WeakPolarHBondContact O-CG2 3.37Å; L17-V342 HydrophobicContact CB-CG2 3.99Å; W59-V342 HydrophobicContact CZ2-CG1 4.41Å; W59-V342 HydrophobicContact CZ2-CG2 3.94Å; V331-V342 HydrophobicContact CG1-CG2 4.17Å; V331-V342 HydrophobicContact CG2-CG1 4.23Å; D340-V342 PolarHBondContact O-N 2.9Å |
| 343 | E | 97.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.3 | -177.7 | -61.7 | 172.2 | 166.9 | 0 | 0 | 109.4 | W11 K12 R13 M312 P313 T314 R316 L329 A330 | W11-E343 HydrophobicContact CE3-CB 3.9Å; W11-E343 HydrophobicContact CZ3-CB 4.1Å; K12-E343 CarbonylContact O-C 3.49Å; K12-E343 VanDerWaalsContact O-CA 3.3Å; K12-E343 WeakPolarHBondContact O-CA 3.46Å; R13-E343 HydrophobicContact CG-CG 4.35Å; M312-E343 WeakPolarHBondContact CG-OE2 3.44Å; P313-E343 WeakPolarHBondContact CB-OE1 3.17Å; P313-E343 WeakPolarHBondContact CD-OE2 3.17Å; T314-E343 VanDerWaalsContact CB-OE1 3.23Å; T314-E343 WeakPolarHBondContact CB-OE1 3.35Å; T314-E343 PolarHBondContact N-OE1 3.43Å; T314-E343 PolarHBondContact N-OE2 3.41Å; T314-E343 PolarHBondContact OG1-OE1 3.06Å; R316-E343 IonicContact CZ-OE2 2.74Å; R316-E343 VanDerWaalsContact NH1-CD 3.26Å; R316-E343 IonicContact NH1-OE1 2.67Å; R316-E343 IonicContact NH1-OE2 2.79Å; R316-E343 PolarHBondContact NH1-OE2 3.23Å; R316-E343 IonicContact NH2-OE2 3.2Å; R316-E343 PolarHBondContact NH2-OE2 3.38Å; R316-E343 VanDerWaalsContact NH2-OE2 3.15Å; L329-E343 WeakPolarHBondContact CA-O 3.42Å; A330-E343 PolarHBondContact N-O 2.99Å; A330-E343 PolarHBondContact O-N 2.86Å; A330-E343 VanDerWaalsContact O-N 3.08Å |
| 344 | A | 97.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | W11 K12 L14 C327 L328 L329 | W11-A344 CarbonylContact C-O 3.56Å; W11-A344 WeakPolarHBondContact CA-O 3.48Å; K12-A344 PolarHBondContact N-O 3.1Å; K12-A344 PolarHBondContact O-N 3.26Å; L14-A344 HydrophobicContact CD1-CB 3.54Å; L14-A344 HydrophobicContact CG-CB 4.14Å; C327-A344 HydrophobicContact CB-CB 4.11Å; L328-A344 WeakPolarHBondContact O-CA 3.28Å; L329-A344 HydrophobicContact CD1-CB 3.94Å; L329-A344 HydrophobicContact CG-CB 4.15Å |
| 345 | L | 97.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.9 | 165.2 | -177.8 | 71.6 | 0 | 0 | 0 | 108.1 | F9 W11 L276 I281 L309 C327 L328 | F9-L345 HydrophobicContact CB-CD1 4.02Å; F9-L345 HydrophobicContact CD1-CD1 4.41Å; F9-L345 HydrophobicContact CD1-CD2 4.08Å; F9-L345 HydrophobicContact CD1-CG 4.09Å; W11-L345 HydrophobicContact CD2-CB 3.98Å; W11-L345 HydrophobicContact CD2-CD1 3.93Å; W11-L345 HydrophobicContact CE3-CB 3.83Å; W11-L345 HydrophobicContact CG-CD1 4.04Å; W11-L345 HydrophobicContact CH2-CB 3.81Å; W11-L345 HydrophobicContact CZ2-CB 3.96Å; W11-L345 HydrophobicContact CZ2-CD1 4.27Å; W11-L345 HydrophobicContact CZ2-CD2 4.33Å; W11-L345 HydrophobicContact CZ2-CG 4.42Å; W11-L345 HydrophobicContact CZ3-CB 3.75Å; L276-L345 VanDerWaalsContact CD2-O 3.28Å; L276-L345 WeakPolarHBondContact CD2-O 3.36Å; I281-L345 HydrophobicContact CD1-CD2 3.66Å; I281-L345 HydrophobicContact CG2-CD2 3.7Å; L309-L345 HydrophobicContact CD1-CD2 3.73Å; C327-L345 CarbonylContact C-O 3.52Å; C327-L345 VanDerWaalsContact CA-O 3.28Å; C327-L345 WeakPolarHBondContact CA-O 3.43Å; L328-L345 PolarHBondContact N-O 2.77Å; L328-L345 PolarHBondContact O-N 3.32Å |
| 346 | C | 95.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 159.5 | -179.3 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | F9 Q10 C327 | F9-C346 WeakPolarHBondContact CA-O 3.42Å; Q10-C346 PolarHBondContact N-O 3.18Å; Q10-C346 PolarHBondContact O-N 3.31Å; C327-C346 HydrophobicContact CB-CB 4.17Å; C327-C346 WeakPolarHBondContact CB-SG 3.14Å; C327-C346 WeakPolarHBondContact SG-CB 3.49Å; C327-C346 CovalentContact SG-SG 2.04Å; C327-C346 PolarHBondContact SG-SG 2.98Å |
| 347 | V | 90.4 | Very high | 88.4 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.7 | 165 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | P4 D8 F9 L276 S277 D349 | P4-V347 HydrophobicContact CB-CG1 3.73Å; P4-V347 HydrophobicContact CB-CG2 4.48Å; P4-V347 HydrophobicContact CG-CG1 3.66Å; P4-V347 HydrophobicContact CG-CG2 4.22Å; D8-V347 HydrophobicContact CB-CG1 4.06Å; D8-V347 CarbonylContact O-C 3.57Å; D8-V347 WeakPolarHBondContact O-CA 3.27Å; F9-V347 HydrophobicContact CD1-CG2 3.88Å; F9-V347 HydrophobicContact CE1-CG2 3.4Å; F9-V347 VanDerWaalsContact CE1-CG2 3.4Å; F9-V347 HydrophobicContact CE2-CG2 4.37Å; F9-V347 HydrophobicContact CZ-CG2 3.68Å; L276-V347 HydrophobicContact CD2-CG2 4.42Å; L276-V347 HydrophobicContact CG-CG2 4.36Å; S277-V347 WeakPolarHBondContact OG-CG2 3.44Å; V347-D349 PolarHBondContact O-N 3.28Å |
| 348 | S | 79.7 | Confident | 88.2 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 127.9 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | D8 S350 | D8-S348 PolarHBondContact O-N 3.38Å; D8-S348 PolarHBondContact O-OG 3.16Å; S348-S350 PolarHBondContact O-N 3.31Å; S348-S350 VanDerWaalsContact O-N 3.15Å |
| 349 | D | 62.8 | Low | 87.6 | Confident | 157 Ų | 157 | 41.2 Ų | 41.2 | 84% | 0.84 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 119 | 166.3 | -63.8 | -41.2 | 0 | 0 | 0 | 107.2 | V347 | V347-D349 PolarHBondContact O-N 3.28Š|
| 350 | S | 42.3 | Very low | 86.8 | Confident | 175 Ų | 175 | 43.5 Ų | 43.5 | 100% | 1.224 | 27% | 0.271 | S | S | * | . | trans | -78.6 | 0 | 179.8 | -44.3 | 0 | 0 | 0 | 0 | 111.2 | S348 | S348-S350 PolarHBondContact O-N 3.31Å; S348-S350 VanDerWaalsContact O-N 3.15Å |
Retrieved 350 of 350 residues in 1160.1 ms
(Link to these results)