| 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 | 61.3 | Low | 91 | Very high | 192 Ų | 192 | 69.7 Ų | 69.7 | 95% | 0.946 | 34% | 0.342 | S | S | * | . | 0 | 124.3 | 0 | -150.8 | 172.9 | -163.8 | 0 | 0 | 106.7 | M295 | M1-M295 HydrophobicContact CB-CE 3.88Å; M1-M295 HydrophobicContact CE-CE 4.13Å; M1-M295 HydrophobicContact CE-SD 4.07Å; M1-M295 HydrophobicContact CG-CE 3.34Å; M1-M295 HydrophobicContact CG-SD 4.43Å; M1-M295 HydrophobicContact SD-CB 3.72Å; M1-M295 HydrophobicContact SD-CE 3.28Å; M1-M295 WeakPolarHBondContact SD-CE 3.28Å; M1-M295 HydrophobicContact SD-CG 4.25Å; M1-M295 HydrophobicContact SD-SD 3.62Å; M1-M295 VanDerWaalsContact SD-SD 3.62Å | |||
| 2 | K | 82.6 | Confident | 91.6 | Very high | 149 Ų | 149 | 75.1 Ų | 75.1 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | trans | -81.8 | 127.2 | -178.2 | -175.3 | 177.4 | 178.3 | 179.3 | 0 | 108.9 | ||||
| 3 | L | 91.8 | Very high | 92 | Very high | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | trans | -77.9 | 140.7 | 172.8 | -70.7 | 157.3 | 0 | 0 | 0 | 109 | V7 L8 F11 T248 D250 F253 F290 M295 | L3-V7 HydrophobicContact CD2-CG1 3.87Å; L3-L8 HydrophobicContact CD2-CD2 4.37Å; L3-F11 HydrophobicContact CD2-CE2 4.37Å; L3-T248 VanDerWaalsContact CD1-CB 3.47Å; L3-T248 HydrophobicContact CD1-CG2 3.65Å; L3-D250 WeakPolarHBondContact CB-OD2 3.12Å; L3-D250 PolarHBondContact N-OD2 3.28Å; L3-F253 HydrophobicContact CB-CD2 4.16Å; L3-F253 HydrophobicContact CB-CE2 3.86Å; L3-F290 HydrophobicContact CD1-CE1 4.2Å; L3-F290 HydrophobicContact CD1-CZ 4.15Å; L3-F290 HydrophobicContact CD2-CE1 4.32Å; L3-F290 HydrophobicContact CD2-CZ 4.13Å; L3-M295 HydrophobicContact CD2-CE 3.8Å; L3-M295 HydrophobicContact CD2-CG 4.17Å; L3-M295 HydrophobicContact CD2-SD 4.45Å; L3-M295 HydrophobicContact CG-CE 4.37Å | ||
| 4 | T | 94.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 72.1 Ų | 72.1 | 36% | 0.362 | 36% | 0.361 | S | S | . | . | trans | -124.5 | 162.1 | 173.9 | 67.3 | 0 | 0 | 0 | 0 | 108.9 | N6 V7 L8 | T4-N6 PolarHBondContact O-N 3.29Å; T4-V7 PolarHBondContact O-N 2.94Å; T4-V7 VanDerWaalsContact O-N 3.14Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-V7 PolarHBondContact OG1-N 3.36Å; T4-L8 PolarHBondContact O-N 3.39Å | ||
| 5 | D | 95.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -52.7 | -41.8 | 175.2 | -70.9 | 30.2 | 0 | 0 | 0 | 112.3 | L8 R9 F253 V274 | D5-L8 PolarHBondContact O-N 3.14Å; D5-R9 WeakPolarHBondContact O-CD 3.47Å; D5-R9 WeakPolarHBondContact O-CG 3.4Å; D5-R9 PolarHBondContact O-N 2.6Å; D5-F253 VanDerWaalsContact OD1-CE1 3.31Å; D5-F253 WeakPolarHBondContact OD1-CE1 3.2Å; D5-F253 WeakPolarHBondContact OD1-CZ 3.35Å; D5-V274 HydrophobicContact CB-CG1 3.88Å |
| 6 | N | 94.6 | Very high | 92.9 | Very high | 125 Ų | 125 | 71.9 Ų | 71.9 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -46.1 | 178.9 | -70 | -7.7 | 0 | 0 | 0 | 111.4 | T4 L8 R9 S10 | T4-N6 PolarHBondContact O-N 3.29Å; N6-L8 VanDerWaalsContact C-N 3.31Å; N6-L8 PolarHBondContact O-N 3.24Å; N6-R9 PolarHBondContact O-N 3Å; N6-S10 PolarHBondContact O-N 3.43Å |
| 7 | V | 95.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 22% | 0.218 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | L3 T4 R9 S10 F11 M295 P309 | L3-V7 HydrophobicContact CD2-CG1 3.87Å; T4-V7 PolarHBondContact O-N 2.94Å; T4-V7 VanDerWaalsContact O-N 3.14Å; T4-V7 WeakPolarHBondContact OG1-CG2 3.46Å; T4-V7 PolarHBondContact OG1-N 3.36Å; V7-R9 VanDerWaalsContact C-N 3.34Å; V7-R9 PolarHBondContact O-N 3.37Å; V7-S10 WeakPolarHBondContact O-CB 3.2Å; V7-S10 PolarHBondContact O-N 3.41Å; V7-S10 VanDerWaalsContact O-N 3.11Å; V7-S10 PolarHBondContact O-OG 3.46Å; V7-F11 HydrophobicContact CG1-CE2 4.04Å; V7-F11 WeakPolarHBondContact O-CD2 3.36Å; V7-M295 HydrophobicContact CG1-CE 3.89Å; V7-M295 HydrophobicContact CG1-CG 4.41Å; V7-M295 HydrophobicContact CG1-SD 3.49Å; V7-M295 WeakPolarHBondContact CG1-SD 3.49Å; V7-P309 HydrophobicContact CG1-CB 4.35Å |
| 8 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.9 | -74.4 | 167.9 | 0 | 0 | 0 | 113.1 | L3 T4 D5 N6 S10 F11 T248 F253 V265 V274 F290 | L3-L8 HydrophobicContact CD2-CD2 4.37Å; T4-L8 PolarHBondContact O-N 3.39Å; D5-L8 PolarHBondContact O-N 3.14Å; N6-L8 VanDerWaalsContact C-N 3.31Å; N6-L8 PolarHBondContact O-N 3.24Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.19Å; L8-F11 HydrophobicContact CD2-CE2 4.36Å; L8-F11 PolarHBondContact O-N 3.1Å; L8-T248 HydrophobicContact CD2-CG2 4.42Å; L8-F253 HydrophobicContact CD1-CB 3.99Å; L8-F253 HydrophobicContact CD1-CD1 3.26Å; L8-F253 HydrophobicContact CD1-CD2 3.46Å; L8-F253 VanDerWaalsContact CD1-CD2 3.46Å; L8-F253 HydrophobicContact CD1-CE1 3.44Å; L8-F253 VanDerWaalsContact CD1-CE1 3.44Å; L8-F253 HydrophobicContact CD1-CE2 3.63Å; L8-F253 HydrophobicContact CD1-CG 3.27Å; L8-F253 HydrophobicContact CD1-CZ 3.61Å; L8-V265 HydrophobicContact CD1-CG1 3.94Å; L8-V265 HydrophobicContact CD2-CG1 4.39Å; L8-V274 HydrophobicContact CB-CG1 4.13Å; L8-V274 HydrophobicContact CD1-CG1 4.08Å; L8-F290 HydrophobicContact CD2-CE2 4.24Å; L8-F290 HydrophobicContact CD2-CZ 4.27Å |
| 9 | R | 96.4 | Very high | 93.5 | Very high | 125 Ų | 125 | 75.1 Ų | 75.1 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.8 | -22.7 | 175.5 | -67.7 | 166.4 | -168 | -88 | 1.1 | 112.8 | D5 N6 V7 F11 R12 V274 A275 | D5-R9 WeakPolarHBondContact O-CD 3.47Å; D5-R9 WeakPolarHBondContact O-CG 3.4Å; D5-R9 PolarHBondContact O-N 2.6Å; N6-R9 PolarHBondContact O-N 3Å; V7-R9 VanDerWaalsContact C-N 3.34Å; V7-R9 PolarHBondContact O-N 3.37Å; R9-F11 VanDerWaalsContact C-N 3.35Å; R9-R12 PolarHBondContact O-NH1 3.11Å; R9-V274 PolarHBondContact NE-O 3Å; R9-V274 PolarHBondContact NH1-O 3.34Å; R9-V274 PolarHBondContact NH2-O 2.73Å; R9-A275 HydrophobicContact CG-CB 4.2Å |
| 10 | S | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.9 | -17.3 | 179.5 | 81.2 | 0 | 0 | 0 | 0 | 113.6 | N6 V7 L8 R12 P309 T310 | N6-S10 PolarHBondContact O-N 3.43Å; V7-S10 WeakPolarHBondContact O-CB 3.2Å; V7-S10 PolarHBondContact O-N 3.41Å; V7-S10 VanDerWaalsContact O-N 3.11Å; V7-S10 PolarHBondContact O-OG 3.46Å; L8-S10 VanDerWaalsContact C-N 3.25Å; L8-S10 PolarHBondContact O-N 3.19Å; S10-R12 PolarHBondContact O-N 2.91Å; S10-R12 PolarHBondContact O-NH1 3.12Å; S10-P309 WeakPolarHBondContact OG-CA 3.04Å; S10-P309 VanDerWaalsContact OG-CB 3.22Å; S10-P309 WeakPolarHBondContact OG-CB 3.08Å; S10-T310 WeakPolarHBondContact CB-OG1 3.36Å; S10-T310 PolarHBondContact O-N 3.04Å; S10-T310 VanDerWaalsContact O-N 3.08Å; S10-T310 PolarHBondContact O-OG1 2.69Å; S10-T310 VanDerWaalsContact O-OG1 3.12Å |
| 11 | F | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 132.7 | -175.9 | -85.2 | -94.2 | 0 | 0 | 0 | 112.8 | L3 V7 L8 R9 L277 F290 M295 F297 W307 L308 P309 | L3-F11 HydrophobicContact CD2-CE2 4.37Å; V7-F11 HydrophobicContact CG1-CE2 4.04Å; V7-F11 WeakPolarHBondContact O-CD2 3.36Å; L8-F11 HydrophobicContact CD2-CE2 4.36Å; L8-F11 PolarHBondContact O-N 3.1Å; R9-F11 VanDerWaalsContact C-N 3.35Å; F11-L277 HydrophobicContact CB-CD1 4.01Å; F11-F290 HydrophobicContact CE1-CE1 4.47Å; F11-F290 HydrophobicContact CE1-CZ 4.21Å; F11-F290 AromaticContact CE2-CZ 3.94Å; F11-F290 HydrophobicContact CE2-CZ 3.94Å; F11-F290 AromaticContact CZ-CE1 3.88Å; F11-F290 HydrophobicContact CZ-CE1 3.88Å; F11-F290 AromaticContact CZ-CZ 3.55Å; F11-F290 HydrophobicContact CZ-CZ 3.55Å; F11-M295 HydrophobicContact CZ-CG 3.95Å; F11-F297 HydrophobicContact CB-CE1 3.78Å; F11-F297 HydrophobicContact CB-CZ 4.42Å; F11-F297 AromaticContact CD1-CD1 3.49Å; F11-F297 HydrophobicContact CD1-CD1 3.49Å; F11-F297 VanDerWaalsContact CD1-CD1 3.49Å; F11-F297 AromaticContact CD1-CE1 3.3Å; F11-F297 HydrophobicContact CD1-CE1 3.3Å; F11-F297 HydrophobicContact CD1-CZ 4.4Å; F11-F297 HydrophobicContact CD2-CE1 4.27Å; F11-F297 AromaticContact CE1-CD1 3.53Å; F11-F297 HydrophobicContact CE1-CD1 3.53Å; F11-F297 AromaticContact CE1-CE1 3.85Å; F11-F297 HydrophobicContact CE1-CE1 3.85Å; F11-F297 HydrophobicContact CG-CD1 4.08Å; F11-F297 AromaticContact CG-CE1 3.53Å; F11-F297 HydrophobicContact CG-CE1 3.53Å; F11-F297 HydrophobicContact CZ-CD1 4.18Å; F11-W307 HydrophobicContact CB-CE3 4.35Å; F11-W307 HydrophobicContact CD1-CB 3.92Å; F11-L308 WeakPolarHBondContact CA-O 2.93Å; F11-L308 VanDerWaalsContact CD1-C 3.45Å; F11-P309 HydrophobicContact CD2-CB 4.32Å; F11-P309 HydrophobicContact CE1-CG 4.49Å; F11-P309 HydrophobicContact CE2-CB 4.17Å; F11-P309 HydrophobicContact CZ-CB 4.28Å; F11-P309 HydrophobicContact CZ-CG 4.32Å |
| 12 | R | 97.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 68.4 Ų | 68.4 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.5 | 174.2 | -61.1 | -64.5 | 178.8 | -86.8 | -6.6 | 109.8 | R9 S10 A14 W307 L308 T310 | R9-R12 PolarHBondContact O-NH1 3.11Å; S10-R12 PolarHBondContact O-N 2.91Å; S10-R12 PolarHBondContact O-NH1 3.12Å; R12-A14 PolarHBondContact O-N 2.85Å; R12-W307 VanDerWaalsContact C-CE3 3.44Å; R12-W307 VanDerWaalsContact O-CA 3.3Å; R12-W307 WeakPolarHBondContact O-CA 3.42Å; R12-L308 PolarHBondContact N-O 3.44Å; R12-L308 PolarHBondContact O-N 2.78Å; R12-T310 HydrophobicContact CB-CG2 4.25Å; R12-T310 HydrophobicContact CG-CG2 3.6Å |
| 13 | V | 97.5 | Very high | 96.1 | Very high | 47 Ų | 47 | 64.8 Ų | 64.8 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 116.9 | 172 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | V16 G279 A305 W307 | V13-V16 HydrophobicContact CG1-CG2 3.52Å; V13-G279 VanDerWaalsContact CG2-CA 3.43Å; V13-A305 HydrophobicContact CG1-CB 4.35Å; V13-W307 HydrophobicContact CG2-CD2 3.8Å; V13-W307 HydrophobicContact CG2-CE3 3.94Å; V13-W307 HydrophobicContact CG2-CH2 3.69Å; V13-W307 HydrophobicContact CG2-CZ2 3.49Å; V13-W307 VanDerWaalsContact CG2-CZ2 3.49Å; V13-W307 HydrophobicContact CG2-CZ3 3.88Å |
| 14 | A | 96.2 | Very high | 96.4 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -36.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R12 F306 L308 | R12-A14 PolarHBondContact O-N 2.85Å; A14-F306 PolarHBondContact N-O 3.23Å; A14-L308 HydrophobicContact CB-CB 4.18Å; A14-L308 HydrophobicContact CB-CD1 3.56Å; A14-L308 HydrophobicContact CB-CG 3.66Å |
| 15 | K | 96.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.2 | -179 | -161.7 | 156.5 | -179.1 | 173.1 | 0 | 112.6 | F17 G53 A305 F306 | K15-F17 HydrophobicContact CB-CE2 4.35Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CE1 3.7Å; K15-F17 HydrophobicContact CD-CZ 3.63Å; K15-F17 HydrophobicContact CG-CE1 3.92Å; K15-F17 HydrophobicContact CG-CE2 4.22Å; K15-F17 HydrophobicContact CG-CZ 3.75Å; K15-G53 WeakPolarHBondContact CD-O 3.27Å; K15-G53 WeakPolarHBondContact CE-O 3.34Å; K15-G53 PolarHBondContact NZ-O 2.8Å; K15-A305 CarbonylContact O-C 3.5Å; K15-A305 WeakPolarHBondContact O-CA 3.36Å; K15-F306 PolarHBondContact N-O 3.02Å; K15-F306 PolarHBondContact O-N 2.75Å |
| 16 | V | 97.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 59.7 Ų | 59.7 | 30% | 0.303 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.9 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | V13 N303 M304 A305 | V13-V16 HydrophobicContact CG1-CG2 3.52Å; V16-N303 HydrophobicContact CG1-CB 3.9Å; V16-M304 CarbonylContact C-O 3.58Å; V16-M304 WeakPolarHBondContact CA-O 3.24Å; V16-A305 HydrophobicContact CG2-CB 4.39Å |
| 17 | F | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.7 | 176.6 | -50.7 | -82 | 0 | 0 | 0 | 110.4 | K15 Y48 G53 N303 M304 F306 | K15-F17 HydrophobicContact CB-CE2 4.35Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CE1 3.7Å; K15-F17 HydrophobicContact CD-CZ 3.63Å; K15-F17 HydrophobicContact CG-CE1 3.92Å; K15-F17 HydrophobicContact CG-CE2 4.22Å; K15-F17 HydrophobicContact CG-CZ 3.75Å; F17-Y48 HydrophobicContact CB-CD1 4.42Å; F17-Y48 HydrophobicContact CB-CE1 3.68Å; F17-Y48 HydrophobicContact CD1-CD1 4.27Å; F17-Y48 HydrophobicContact CD1-CE1 4.28Å; F17-Y48 AromaticContact CD2-CD1 3.93Å; F17-Y48 HydrophobicContact CD2-CD1 3.93Å; F17-Y48 AromaticContact CD2-CE1 3.94Å; F17-Y48 HydrophobicContact CD2-CE1 3.94Å; F17-Y48 HydrophobicContact CE2-CD1 4.22Å; F17-Y48 AromaticContact CG-CD1 3.95Å; F17-Y48 HydrophobicContact CG-CD1 3.95Å; F17-Y48 AromaticContact CG-CE1 3.71Å; F17-Y48 HydrophobicContact CG-CE1 3.71Å; F17-Y48 HydrophobicContact CZ-CD1 4.5Å; F17-G53 VanDerWaalsContact CE1-O 3.29Å; F17-G53 WeakPolarHBondContact CE1-O 3.3Å; F17-G53 VanDerWaalsContact CZ-O 3.27Å; F17-G53 WeakPolarHBondContact CZ-O 3.34Å; F17-N303 WeakPolarHBondContact O-CA 3.31Å; F17-N303 WeakPolarHBondContact O-CB 3.48Å; F17-M304 HydrophobicContact CB-CB 4.27Å; F17-M304 HydrophobicContact CD2-CB 4.2Å; F17-M304 HydrophobicContact CD2-CG 4.05Å; F17-M304 PolarHBondContact N-O 2.84Å; F17-M304 PolarHBondContact O-N 2.98Å; F17-M304 VanDerWaalsContact O-N 3.1Å; F17-F306 HydrophobicContact CD2-CD1 4.42Å; F17-F306 HydrophobicContact CD2-CE1 4.3Å; F17-F306 AromaticContact CE2-CD1 3.86Å; F17-F306 HydrophobicContact CE2-CD1 3.86Å; F17-F306 AromaticContact CE2-CD2 3.75Å; F17-F306 HydrophobicContact CE2-CD2 3.75Å; F17-F306 AromaticContact CE2-CE1 3.82Å; F17-F306 HydrophobicContact CE2-CE1 3.82Å; F17-F306 AromaticContact CE2-CE2 3.73Å; F17-F306 HydrophobicContact CE2-CE2 3.73Å; F17-F306 AromaticContact CE2-CG 3.81Å; F17-F306 HydrophobicContact CE2-CG 3.81Å; F17-F306 AromaticContact CE2-CZ 3.77Å; F17-F306 HydrophobicContact CE2-CZ 3.77Å; F17-F306 HydrophobicContact CZ-CD2 4.18Å; F17-F306 HydrophobicContact CZ-CE2 4.09Å; F17-F306 HydrophobicContact CZ-CZ 4.45Å |
| 18 | R | 96.7 | Very high | 97 | Very high | 179 Ų | 179 | 53.4 Ų | 53.4 | 68% | 0.675 | 26% | 0.263 | S | S | * | . | trans | -126 | 36.5 | -175 | -55.9 | -171.5 | 175.9 | 81.2 | 0.3 | 111.7 | N20 N303 | R18-N20 VanDerWaalsContact C-N 3.28Å; R18-N303 WeakPolarHBondContact CG-OD1 3.21Å | ||
| 19 | E | 96.6 | Very high | 97 | Very high | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | trans | -71.3 | -27.5 | -178.2 | -57.9 | -55 | 134.9 | 0 | 0 | 112.1 | V46 Y48 P55 | E19-V46 HydrophobicContact CB-CG1 4.03Å; E19-V46 HydrophobicContact CB-CG2 4.09Å; E19-V46 HydrophobicContact CG-CG1 4.05Å; E19-Y48 HydrophobicContact CG-CE1 4.28Å; E19-P55 HydrophobicContact CG-CB 3.98Å; E19-P55 HydrophobicContact CG-CG 4.24Å | ||
| 20 | N | 96.4 | Very high | 97 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -90.9 | 136.8 | -179 | -57.5 | 99 | 0 | 0 | 0 | 110.4 | R18 I24 S40 D42 S44 Y48 | R18-N20 VanDerWaalsContact C-N 3.28Å; N20-I24 HydrophobicContact CB-CG1 4.2Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.27Å; N20-S40 WeakPolarHBondContact ND2-CB 3.37Å; N20-D42 WeakPolarHBondContact CA-OD2 3.44Å; N20-D42 WeakPolarHBondContact CB-OD2 3.02Å; N20-S44 PolarHBondContact ND2-OG 2.89Å; N20-Y48 PolarHBondContact OD1-OH 2.88Å | ||
| 21 | S | 96.3 | Very high | 96.9 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 78% | 0.776 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -91.5 | -12.4 | 173.7 | 57.8 | 0 | 0 | 0 | 0 | 113 | D42 | S21-D42 PolarHBondContact N-OD2 2.93Å; S21-D42 WeakPolarHBondContact OG-CB 3.46Å |
| 22 | D | 96.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -133.6 | -175.8 | 179.1 | -146.8 | -30.8 | 0 | 0 | 0 | 111.2 | I24 S40 D41 D42 | D22-I24 PolarHBondContact O-N 2.78Å; D22-S40 PolarHBondContact O-OG 2.82Å; D22-D41 HydrophobicContact CB-CB 3.98Å; D22-D42 HydrophobicContact CB-CB 3.93Å; D22-D42 PolarHBondContact N-OD2 2.83Å |
| 23 | K | 96.5 | Very high | 96.7 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | trans | -61.1 | 129.7 | -176.2 | -164.6 | -173.2 | 92.3 | -98.6 | 0 | 111.9 | N25 S40 D41 T286 | K23-N25 WeakPolarHBondContact CE-OD1 3.34Å; K23-N25 PolarHBondContact NZ-OD1 3.02Å; K23-N25 PolarHBondContact O-N 3.42Å; K23-S40 VanDerWaalsContact O-CA 3.29Å; K23-S40 WeakPolarHBondContact O-CA 3.42Å; K23-S40 PolarHBondContact O-OG 2.91Å; K23-D41 IonicContact NZ-OD2 2.98Å; K23-D41 PolarHBondContact NZ-OD2 3Å; K23-D41 PolarHBondContact O-N 2.9Å; K23-T286 HydrophobicContact CD-CG2 3.86Å; K23-T286 HydrophobicContact CG-CG2 4.39Å | ||
| 24 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.8 | 165.5 | -61.4 | 167.9 | 0 | 0 | 0 | 108.2 | N20 D22 S39 T286 A300 C301 M304 | N20-I24 HydrophobicContact CB-CG1 4.2Å; N20-I24 WeakPolarHBondContact OD1-CD1 3.27Å; D22-I24 PolarHBondContact O-N 2.78Å; I24-S39 CarbonylContact C-O 3.53Å; I24-S39 WeakPolarHBondContact CA-O 3.48Å; I24-S39 WeakPolarHBondContact CG2-O 3.41Å; I24-T286 PolarHBondContact O-OG1 3.09Å; I24-A300 HydrophobicContact CB-CB 3.93Å; I24-A300 HydrophobicContact CD1-CB 3.89Å; I24-A300 HydrophobicContact CG2-CB 3.81Å; I24-C301 WeakPolarHBondContact CB-O 3.48Å; I24-C301 WeakPolarHBondContact CG1-O 3.43Å; I24-C301 PolarHBondContact N-O 2.82Å; I24-M304 HydrophobicContact CD1-CB 4.03Å; I24-M304 HydrophobicContact CD1-CE 4.35Å |
| 25 | N | 96.9 | Very high | 96.7 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -38.2 | -177.4 | -73.8 | -36 | 0 | 0 | 0 | 112.4 | K23 S39 D41 V66 D67 C287 | K23-N25 WeakPolarHBondContact CE-OD1 3.34Å; K23-N25 PolarHBondContact NZ-OD1 3.02Å; K23-N25 PolarHBondContact O-N 3.42Å; N25-S39 PolarHBondContact N-O 2.83Å; N25-D41 PolarHBondContact ND2-N 3.41Å; N25-D41 PolarHBondContact ND2-OD1 3.47Å; N25-D41 PolarHBondContact OD1-OD1 3.22Å; N25-D41 PolarHBondContact OD1-OD2 3.25Å; N25-V66 PolarHBondContact ND2-O 2.89Å; N25-D67 WeakPolarHBondContact CB-O 3.33Å; N25-C287 PolarHBondContact O-SG 3.31Å |
| 26 | C | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 158 | -178.4 | -155.7 | 0 | 0 | 0 | 0 | 110 | S38 S39 D67 L68 I69 R70 C287 | C26-S38 CarbonylContact O-C 3.57Å; C26-S38 WeakPolarHBondContact O-CA 3.47Å; C26-S39 WeakPolarHBondContact CB-OG 3.13Å; C26-S39 PolarHBondContact N-O 3.44Å; C26-S39 PolarHBondContact N-OG 3.42Å; C26-S39 PolarHBondContact O-N 3.45Å; C26-S39 PolarHBondContact O-OG 2.78Å; C26-D67 WeakPolarHBondContact CB-O 3.22Å; C26-L68 HydrophobicContact CB-CD2 4.45Å; C26-I69 HydrophobicContact CB-CG2 4.24Å; C26-R70 PolarHBondContact SG-NH1 2.85Å; C26-C287 VanDerWaalsContact CA-SG 3.55Å |
| 27 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 164.4 | 161.5 | 71.7 | -96.1 | 0 | 0 | 0 | 109.8 | F29 I36 I37 C287 Q289 A298 A300 M304 | F27-F29 HydrophobicContact CE2-CD2 4.23Å; F27-F29 AromaticContact CE2-CE2 3.85Å; F27-F29 HydrophobicContact CE2-CE2 3.85Å; F27-I36 HydrophobicContact CB-CG2 3.88Å; F27-I36 HydrophobicContact CD2-CG2 3.75Å; F27-I36 HydrophobicContact CG-CG2 4.13Å; F27-I37 CarbonylContact C-O 3.59Å; F27-I37 WeakPolarHBondContact CA-O 3.31Å; F27-I37 VanDerWaalsContact CB-O 3.28Å; F27-I37 WeakPolarHBondContact CB-O 3.42Å; F27-C287 HydrophobicContact CD1-CB 3.59Å; F27-C287 HydrophobicContact CE1-CB 3.59Å; F27-Q289 HydrophobicContact CE2-CB 3.72Å; F27-Q289 HydrophobicContact CE2-CG 4.04Å; F27-Q289 HydrophobicContact CZ-CB 3.91Å; F27-Q289 HydrophobicContact CZ-CG 4.12Å; F27-Q289 PolarHBondContact O-NE2 2.97Å; F27-Q289 PolarHBondContact O-OE1 3.19Å; F27-A298 HydrophobicContact CE1-CB 4.49Å; F27-A298 HydrophobicContact CE2-CB 3.8Å; F27-A298 HydrophobicContact CZ-CB 3.7Å; F27-A298 WeakPolarHBondContact CZ-O 3.43Å; F27-A300 HydrophobicContact CD1-CB 4.04Å; F27-A300 HydrophobicContact CE1-CB 4.12Å; F27-M304 HydrophobicContact CB-CE 3.85Å; F27-M304 HydrophobicContact CD1-CE 3.78Å; F27-M304 HydrophobicContact CD1-SD 4.41Å; F27-M304 HydrophobicContact CD2-CE 4.46Å; F27-M304 HydrophobicContact CE1-CE 4.44Å; F27-M304 HydrophobicContact CG-CE 3.79Å |
| 28 | D | 98.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.3 | 176.8 | -163.9 | 23.7 | 0 | 0 | 0 | 110.8 | I36 I37 R70 Y71 | D28-I36 WeakPolarHBondContact O-CA 3.35Å; D28-I37 HydrophobicContact CB-CG2 4.41Å; D28-I37 PolarHBondContact N-O 3.01Å; D28-I37 PolarHBondContact O-N 3.48Å; D28-R70 VanDerWaalsContact OD2-CA 3.22Å; D28-R70 WeakPolarHBondContact OD2-CA 3.42Å; D28-R70 WeakPolarHBondContact OD2-CD 3.49Å; D28-Y71 HydrophobicContact CB-CD2 4.26Å; D28-Y71 WeakPolarHBondContact O-CE2 3.44Å; D28-Y71 PolarHBondContact OD2-N 3.22Å |
| 29 | F | 97.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.1 | 170.4 | -79 | -85.7 | 0 | 0 | 0 | 109.8 | F27 A35 I36 Y71 Q289 N291 P292 A298 | F27-F29 HydrophobicContact CE2-CD2 4.23Å; F27-F29 AromaticContact CE2-CE2 3.85Å; F27-F29 HydrophobicContact CE2-CE2 3.85Å; F29-A35 WeakPolarHBondContact CA-O 3.36Å; F29-I36 HydrophobicContact CD1-CD1 3.97Å; F29-I36 HydrophobicContact CD1-CG1 3.41Å; F29-I36 VanDerWaalsContact CD1-CG1 3.41Å; F29-I36 HydrophobicContact CD2-CG1 4.38Å; F29-I36 HydrophobicContact CE1-CD1 3.3Å; F29-I36 HydrophobicContact CE1-CG1 3.3Å; F29-I36 HydrophobicContact CE2-CD1 4.05Å; F29-I36 HydrophobicContact CE2-CG1 4.29Å; F29-I36 HydrophobicContact CG-CG1 3.98Å; F29-I36 HydrophobicContact CZ-CD1 3.35Å; F29-I36 HydrophobicContact CZ-CG1 3.79Å; F29-Y71 WeakPolarHBondContact O-CD2 3.38Å; F29-Q289 HydrophobicContact CD2-CB 4.19Å; F29-Q289 HydrophobicContact CE2-CB 4.14Å; F29-Q289 WeakPolarHBondContact CE2-O 3.39Å; F29-N291 HydrophobicContact CD1-CB 4.18Å; F29-N291 HydrophobicContact CE1-CB 3.76Å; F29-N291 WeakPolarHBondContact CE1-ND2 3.33Å; F29-N291 HydrophobicContact CE2-CB 4.42Å; F29-N291 HydrophobicContact CZ-CB 3.9Å; F29-P292 HydrophobicContact CB-CG 4.19Å; F29-A298 HydrophobicContact CE2-CB 4.33Å; F29-A298 HydrophobicContact CZ-CB 4.02Å |
| 30 | C | 96.2 | Very high | 97 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | trans | -67.2 | 155.9 | 164.7 | 58.7 | 0 | 0 | 0 | 0 | 110 | N32 G33 E34 A35 Y71 | C30-N32 PolarHBondContact O-N 3.13Å; C30-N32 VanDerWaalsContact O-N 3.12Å; C30-N32 PolarHBondContact SG-OD1 3.1Å; C30-G33 WeakPolarHBondContact O-CA 3.41Å; C30-G33 PolarHBondContact O-N 2.59Å; C30-E34 PolarHBondContact SG-N 3.18Å; C30-A35 PolarHBondContact N-O 2.78Å; C30-A35 PolarHBondContact SG-N 3.28Å; C30-A35 PolarHBondContact SG-O 3.01Å; C30-Y71 HydrophobicContact CB-CD1 4.09Å; C30-Y71 HydrophobicContact CB-CD2 3.95Å; C30-Y71 HydrophobicContact CB-CE1 4.08Å; C30-Y71 HydrophobicContact CB-CE2 3.9Å; C30-Y71 HydrophobicContact CB-CG 4.02Å | ||
| 31 | S | 93.5 | Very high | 97.1 | Very high | 70 Ų | 70 | 28.9 Ų | 28.9 | 49% | 0.49 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.8 | -174.6 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | K293 | S31-K293 WeakPolarHBondContact O-CE 3.24Š|
| 32 | N | 94.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 24.8 Ų | 24.8 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.1 | 174.5 | 75 | -3.3 | 0 | 0 | 0 | 113.5 | C30 E34 K293 F294 | C30-N32 PolarHBondContact O-N 3.13Å; C30-N32 VanDerWaalsContact O-N 3.12Å; C30-N32 PolarHBondContact SG-OD1 3.1Å; N32-E34 VanDerWaalsContact C-N 3.25Å; N32-E34 HydrophobicContact CB-CG 4.46Å; N32-E34 PolarHBondContact ND2-OE2 2.64Å; N32-E34 PolarHBondContact O-N 3.06Å; N32-E34 WeakPolarHBondContact OD1-CB 3.12Å; N32-E34 PolarHBondContact OD1-N 3.22Å; N32-E34 VanDerWaalsContact OD1-N 3.11Å; N32-K293 VanDerWaalsContact C-CG 3.49Å; N32-K293 VanDerWaalsContact O-CG 3.31Å; N32-K293 WeakPolarHBondContact O-CG 3.16Å; N32-F294 WeakPolarHBondContact O-CE2 3.5Å |
| 33 | G | 95.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 73.9 | 5.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C30 N291 F294 | C30-G33 WeakPolarHBondContact O-CA 3.41Å; C30-G33 PolarHBondContact O-N 2.59Å; G33-N291 WeakPolarHBondContact CA-OD1 3.38Å; G33-N291 PolarHBondContact O-ND2 3.25Å; G33-F294 WeakPolarHBondContact O-CD2 3.43Å; G33-F294 WeakPolarHBondContact O-CE2 3.29Å |
| 34 | E | 96.3 | Very high | 97.3 | Very high | 75 Ų | 75 | 18.2 Ų | 18.2 | 35% | 0.35 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -86.7 | -12.2 | -173 | -60.2 | -177.3 | 151.9 | 0 | 0 | 113.7 | C30 N32 C50 Q51 F294 | C30-E34 PolarHBondContact SG-N 3.18Å; N32-E34 VanDerWaalsContact C-N 3.25Å; N32-E34 HydrophobicContact CB-CG 4.46Å; N32-E34 PolarHBondContact ND2-OE2 2.64Å; N32-E34 PolarHBondContact O-N 3.06Å; N32-E34 WeakPolarHBondContact OD1-CB 3.12Å; N32-E34 PolarHBondContact OD1-N 3.22Å; N32-E34 VanDerWaalsContact OD1-N 3.11Å; E34-C50 WeakPolarHBondContact O-CB 3.39Å; E34-C50 PolarHBondContact O-N 3.44Å; E34-Q51 VanDerWaalsContact CD-NE2 3.34Å; E34-Q51 PolarHBondContact OE1-NE2 2.88Å; E34-F294 HydrophobicContact CG-CE2 4.14Å; E34-F294 HydrophobicContact CG-CZ 4.4Å |
| 35 | A | 96.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 12% | 0.116 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F29 C30 L47 Y48 | F29-A35 WeakPolarHBondContact CA-O 3.36Å; C30-A35 PolarHBondContact N-O 2.78Å; C30-A35 PolarHBondContact SG-N 3.28Å; C30-A35 PolarHBondContact SG-O 3.01Å; A35-L47 HydrophobicContact CB-CD1 4.04Å; A35-Y48 WeakPolarHBondContact CA-O 3.19Å; A35-Y48 WeakPolarHBondContact CB-O 3.38Å |
| 36 | I | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.4 | 170.8 | -68.2 | 171.8 | 0 | 0 | 0 | 108.8 | F27 D28 F29 L47 Y48 A298 M304 F306 | F27-I36 HydrophobicContact CB-CG2 3.88Å; F27-I36 HydrophobicContact CD2-CG2 3.75Å; F27-I36 HydrophobicContact CG-CG2 4.13Å; D28-I36 WeakPolarHBondContact O-CA 3.35Å; F29-I36 HydrophobicContact CD1-CD1 3.97Å; F29-I36 HydrophobicContact CD1-CG1 3.41Å; F29-I36 VanDerWaalsContact CD1-CG1 3.41Å; F29-I36 HydrophobicContact CD2-CG1 4.38Å; F29-I36 HydrophobicContact CE1-CD1 3.3Å; F29-I36 HydrophobicContact CE1-CG1 3.3Å; F29-I36 HydrophobicContact CE2-CD1 4.05Å; F29-I36 HydrophobicContact CE2-CG1 4.29Å; F29-I36 HydrophobicContact CG-CG1 3.98Å; F29-I36 HydrophobicContact CZ-CD1 3.35Å; F29-I36 HydrophobicContact CZ-CG1 3.79Å; I36-L47 CarbonylContact O-C 3.6Å; I36-L47 WeakPolarHBondContact O-CA 3.4Å; I36-L47 WeakPolarHBondContact O-CD1 3.38Å; I36-Y48 HydrophobicContact CB-CD2 4.24Å; I36-Y48 HydrophobicContact CG2-CD2 4.14Å; I36-Y48 PolarHBondContact N-O 3.42Å; I36-Y48 PolarHBondContact O-N 2.91Å; I36-A298 HydrophobicContact CD1-CB 3.65Å; I36-M304 HydrophobicContact CG2-CE 4.12Å; I36-F306 HydrophobicContact CD1-CD1 4.29Å; I36-F306 HydrophobicContact CD1-CE1 3.43Å; I36-F306 VanDerWaalsContact CD1-CE1 3.43Å; I36-F306 HydrophobicContact CD1-CZ 3.61Å; I36-F306 HydrophobicContact CG1-CZ 4.48Å |
| 37 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.6 | 164.9 | -171 | 63 | 0 | 0 | 0 | 108.5 | F27 D28 L45 V46 L47 I69 Y71 V78 L94 | F27-I37 CarbonylContact C-O 3.59Å; F27-I37 WeakPolarHBondContact CA-O 3.31Å; F27-I37 VanDerWaalsContact CB-O 3.28Å; F27-I37 WeakPolarHBondContact CB-O 3.42Å; D28-I37 HydrophobicContact CB-CG2 4.41Å; D28-I37 PolarHBondContact N-O 3.01Å; D28-I37 PolarHBondContact O-N 3.48Å; I37-L45 HydrophobicContact CD1-CB 4.15Å; I37-V46 WeakPolarHBondContact CA-O 3.12Å; I37-L47 HydrophobicContact CD1-CB 4.18Å; I37-I69 HydrophobicContact CB-CD1 4.43Å; I37-I69 HydrophobicContact CG1-CD1 3.5Å; I37-I69 VanDerWaalsContact CG1-CD1 3.5Å; I37-I69 HydrophobicContact CG1-CG1 4.34Å; I37-I69 HydrophobicContact CG2-CD1 4.04Å; I37-I69 HydrophobicContact CG2-CG1 3.96Å; I37-I69 HydrophobicContact CG2-CG2 4.41Å; I37-Y71 HydrophobicContact CB-CE2 3.79Å; I37-Y71 HydrophobicContact CG2-CD2 3.66Å; I37-Y71 HydrophobicContact CG2-CE1 4.49Å; I37-Y71 HydrophobicContact CG2-CE2 3.39Å; I37-Y71 HydrophobicContact CG2-CG 4.36Å; I37-V78 HydrophobicContact CB-CG1 4.45Å; I37-V78 HydrophobicContact CG1-CG1 4.31Å; I37-V78 HydrophobicContact CG2-CG1 3.93Å; I37-L94 HydrophobicContact CD1-CD2 4.21Å |
| 38 | S | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 158.5 | 172.6 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | C26 L45 V46 | C26-S38 CarbonylContact O-C 3.57Å; C26-S38 WeakPolarHBondContact O-CA 3.47Å; S38-L45 WeakPolarHBondContact O-CA 3.48Å; S38-V46 PolarHBondContact N-O 3.08Å; S38-V46 PolarHBondContact O-N 3.34Å; S38-V46 VanDerWaalsContact O-N 3.15Å; S38-V46 WeakPolarHBondContact OG-CB 3.48Å; S38-V46 PolarHBondContact OG-O 3.04Å |
| 39 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.5 | 169.2 | 49 | 0 | 0 | 0 | 0 | 109.7 | I24 N25 C26 D67 I69 | I24-S39 CarbonylContact C-O 3.53Å; I24-S39 WeakPolarHBondContact CA-O 3.48Å; I24-S39 WeakPolarHBondContact CG2-O 3.41Å; N25-S39 PolarHBondContact N-O 2.83Å; C26-S39 WeakPolarHBondContact CB-OG 3.13Å; C26-S39 PolarHBondContact N-O 3.44Å; C26-S39 PolarHBondContact N-OG 3.42Å; C26-S39 PolarHBondContact O-N 3.45Å; C26-S39 PolarHBondContact O-OG 2.78Å; S39-D67 WeakPolarHBondContact CB-O 3.24Å; S39-D67 PolarHBondContact OG-O 2.7Å; S39-I69 WeakPolarHBondContact OG-CG2 3.45Å |
| 40 | S | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.3 | -174.5 | 174.4 | 0 | 0 | 0 | 0 | 112.9 | N20 D22 K23 D42 D43 S44 V66 | N20-S40 WeakPolarHBondContact ND2-CB 3.37Å; D22-S40 PolarHBondContact O-OG 2.82Å; K23-S40 VanDerWaalsContact O-CA 3.29Å; K23-S40 WeakPolarHBondContact O-CA 3.42Å; K23-S40 PolarHBondContact O-OG 2.91Å; S40-D42 WeakPolarHBondContact CB-OD1 3.45Å; S40-D42 PolarHBondContact O-N 2.83Å; S40-D42 PolarHBondContact OG-N 2.91Å; S40-D42 PolarHBondContact OG-OD1 3.02Å; S40-D42 VanDerWaalsContact OG-OD1 3.06Å; S40-D42 PolarHBondContact OG-OD2 3.24Å; S40-D42 VanDerWaalsContact OG-OD2 3.06Å; S40-D43 PolarHBondContact O-N 3.23Å; S40-D43 VanDerWaalsContact O-N 3.1Å; S40-S44 PolarHBondContact N-O 3.18Å; S40-V66 WeakPolarHBondContact O-CG1 3.48Å |
| 41 | D | 97.5 | Very high | 97.1 | Very high | 59 Ų | 59 | 24.3 Ų | 24.3 | 32% | 0.316 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.4 | 175.5 | -78.9 | -29.9 | 0 | 0 | 0 | 112.7 | D22 K23 N25 D43 | D22-D41 HydrophobicContact CB-CB 3.98Å; K23-D41 IonicContact NZ-OD2 2.98Å; K23-D41 PolarHBondContact NZ-OD2 3Å; K23-D41 PolarHBondContact O-N 2.9Å; N25-D41 PolarHBondContact ND2-N 3.41Å; N25-D41 PolarHBondContact ND2-OD1 3.47Å; N25-D41 PolarHBondContact OD1-OD1 3.22Å; N25-D41 PolarHBondContact OD1-OD2 3.25Å; D41-D43 PolarHBondContact O-N 2.96Å |
| 42 | D | 97.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 12.7 | 171.8 | 63 | 25.4 | 0 | 0 | 0 | 114.5 | N20 S21 D22 S40 S44 | N20-D42 WeakPolarHBondContact CA-OD2 3.44Å; N20-D42 WeakPolarHBondContact CB-OD2 3.02Å; S21-D42 PolarHBondContact N-OD2 2.93Å; S21-D42 WeakPolarHBondContact OG-CB 3.46Å; D22-D42 HydrophobicContact CB-CB 3.93Å; D22-D42 PolarHBondContact N-OD2 2.83Å; S40-D42 WeakPolarHBondContact CB-OD1 3.45Å; S40-D42 PolarHBondContact O-N 2.83Å; S40-D42 PolarHBondContact OG-N 2.91Å; S40-D42 PolarHBondContact OG-OD1 3.02Å; S40-D42 VanDerWaalsContact OG-OD1 3.06Å; S40-D42 PolarHBondContact OG-OD2 3.24Å; S40-D42 VanDerWaalsContact OG-OD2 3.06Å; D42-S44 PolarHBondContact O-N 3.16Å; D42-S44 WeakPolarHBondContact OD1-CB 3.34Å; D42-S44 PolarHBondContact OD1-N 3.34Å; D42-S44 PolarHBondContact OD1-OG 3.2Å |
| 43 | D | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 68 | 2.9 | -176.2 | -51.8 | -49.4 | 0 | 0 | 0 | 116.2 | S40 D41 Y60 S61 G65 K84 | S40-D43 PolarHBondContact O-N 3.23Å; S40-D43 VanDerWaalsContact O-N 3.1Å; D41-D43 PolarHBondContact O-N 2.96Å; D43-Y60 WeakPolarHBondContact O-CA 3.37Å; D43-S61 PolarHBondContact O-N 3.03Å; D43-G65 WeakPolarHBondContact OD1-CA 3.29Å; D43-K84 WeakPolarHBondContact OD1-CE 3.33Å; D43-K84 IonicContact OD1-NZ 2.65Å; D43-K84 PolarHBondContact OD1-NZ 2.89Å; D43-K84 IonicContact OD2-NZ 2.83Å; D43-K84 PolarHBondContact OD2-NZ 2.66Å |
| 44 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149 | -176.9 | 70.8 | 0 | 0 | 0 | 0 | 112.5 | N20 S40 D42 L59 | N20-S44 PolarHBondContact ND2-OG 2.89Å; S40-S44 PolarHBondContact N-O 3.18Å; D42-S44 PolarHBondContact O-N 3.16Å; D42-S44 WeakPolarHBondContact OD1-CB 3.34Å; D42-S44 PolarHBondContact OD1-N 3.34Å; D42-S44 PolarHBondContact OD1-OG 3.2Å; S44-L59 CarbonylContact C-O 3.53Å; S44-L59 WeakPolarHBondContact CA-O 3.32Å |
| 45 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.7 | 164.4 | -53.3 | 120.2 | 0 | 0 | 0 | 107.9 | I37 S38 T58 L59 V66 I69 Y80 L92 | I37-L45 HydrophobicContact CD1-CB 4.15Å; S38-L45 WeakPolarHBondContact O-CA 3.48Å; L45-T58 CarbonylContact O-C 3.53Å; L45-T58 WeakPolarHBondContact O-CA 3.3Å; L45-L59 HydrophobicContact CB-CB 4.24Å; L45-L59 HydrophobicContact CD1-CB 4.08Å; L45-L59 PolarHBondContact N-O 2.87Å; L45-L59 PolarHBondContact O-N 2.83Å; L45-V66 HydrophobicContact CD2-CB 4.46Å; L45-V66 HydrophobicContact CD2-CG2 3.58Å; L45-V66 HydrophobicContact CG-CG1 4.45Å; L45-V66 HydrophobicContact CG-CG2 4.12Å; L45-I69 HydrophobicContact CD2-CD1 3.21Å; L45-Y80 HydrophobicContact CD2-CD1 4.37Å; L45-Y80 HydrophobicContact CD2-CG 4.48Å; L45-L92 HydrophobicContact CD1-CD2 4.31Å |
| 46 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.2 | -175 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | E19 I37 S38 Y48 P55 T58 | E19-V46 HydrophobicContact CB-CG1 4.03Å; E19-V46 HydrophobicContact CB-CG2 4.09Å; E19-V46 HydrophobicContact CG-CG1 4.05Å; I37-V46 WeakPolarHBondContact CA-O 3.12Å; S38-V46 PolarHBondContact N-O 3.08Å; S38-V46 PolarHBondContact O-N 3.34Å; S38-V46 VanDerWaalsContact O-N 3.15Å; S38-V46 WeakPolarHBondContact OG-CB 3.48Å; S38-V46 PolarHBondContact OG-O 3.04Å; V46-Y48 HydrophobicContact CB-CE2 3.72Å; V46-Y48 HydrophobicContact CG1-CD1 4.35Å; V46-Y48 HydrophobicContact CG1-CD2 4.31Å; V46-Y48 HydrophobicContact CG1-CE1 3.7Å; V46-Y48 HydrophobicContact CG1-CE2 3.67Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.13Å; V46-Y48 WeakPolarHBondContact O-CD2 3.23Å; V46-Y48 VanDerWaalsContact O-CE2 3.31Å; V46-Y48 WeakPolarHBondContact O-CE2 3.18Å; V46-P55 HydrophobicContact CG1-CB 4.43Å; V46-T58 HydrophobicContact CG2-CG2 4.07Å |
| 47 | L | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.7 | 175 | 178.3 | 63.8 | 0 | 0 | 0 | 109.5 | A35 I36 I37 P55 K56 R57 Y71 L94 | A35-L47 HydrophobicContact CB-CD1 4.04Å; I36-L47 CarbonylContact O-C 3.6Å; I36-L47 WeakPolarHBondContact O-CA 3.4Å; I36-L47 WeakPolarHBondContact O-CD1 3.38Å; I37-L47 HydrophobicContact CD1-CB 4.18Å; L47-P55 CarbonylContact O-C 3.53Å; L47-K56 HydrophobicContact CB-CB 4.47Å; L47-K56 HydrophobicContact CD2-CB 4.03Å; L47-K56 HydrophobicContact CD2-CD 4.2Å; L47-K56 HydrophobicContact CG-CB 4.05Å; L47-K56 HydrophobicContact CG-CD 4.44Å; L47-K56 PolarHBondContact O-N 2.88Å; L47-R57 HydrophobicContact CB-CB 4.38Å; L47-R57 PolarHBondContact N-O 3.5Å; L47-R57 PolarHBondContact O-N 2.92Å; L47-Y71 WeakPolarHBondContact CD1-OH 3.28Å; L47-L94 HydrophobicContact CD1-CD1 4.49Å |
| 48 | Y | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.9 | 176.5 | -53.7 | -91.8 | 0 | 0 | 0 | 110.8 | F17 E19 N20 A35 I36 V46 P55 M304 F306 | F17-Y48 HydrophobicContact CB-CD1 4.42Å; F17-Y48 HydrophobicContact CB-CE1 3.68Å; F17-Y48 HydrophobicContact CD1-CD1 4.27Å; F17-Y48 HydrophobicContact CD1-CE1 4.28Å; F17-Y48 AromaticContact CD2-CD1 3.93Å; F17-Y48 HydrophobicContact CD2-CD1 3.93Å; F17-Y48 AromaticContact CD2-CE1 3.94Å; F17-Y48 HydrophobicContact CD2-CE1 3.94Å; F17-Y48 HydrophobicContact CE2-CD1 4.22Å; F17-Y48 AromaticContact CG-CD1 3.95Å; F17-Y48 HydrophobicContact CG-CD1 3.95Å; F17-Y48 AromaticContact CG-CE1 3.71Å; F17-Y48 HydrophobicContact CG-CE1 3.71Å; F17-Y48 HydrophobicContact CZ-CD1 4.5Å; E19-Y48 HydrophobicContact CG-CE1 4.28Å; N20-Y48 PolarHBondContact OD1-OH 2.88Å; A35-Y48 WeakPolarHBondContact CA-O 3.19Å; A35-Y48 WeakPolarHBondContact CB-O 3.38Å; I36-Y48 HydrophobicContact CB-CD2 4.24Å; I36-Y48 HydrophobicContact CG2-CD2 4.14Å; I36-Y48 PolarHBondContact N-O 3.42Å; I36-Y48 PolarHBondContact O-N 2.91Å; V46-Y48 HydrophobicContact CB-CE2 3.72Å; V46-Y48 HydrophobicContact CG1-CD1 4.35Å; V46-Y48 HydrophobicContact CG1-CD2 4.31Å; V46-Y48 HydrophobicContact CG1-CE1 3.7Å; V46-Y48 HydrophobicContact CG1-CE2 3.67Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.13Å; V46-Y48 WeakPolarHBondContact O-CD2 3.23Å; V46-Y48 VanDerWaalsContact O-CE2 3.31Å; V46-Y48 WeakPolarHBondContact O-CE2 3.18Å; Y48-P55 HydrophobicContact CD1-CB 4.15Å; Y48-P55 HydrophobicContact CE1-CB 4.28Å; Y48-M304 HydrophobicContact CE1-CB 4.45Å; Y48-M304 HydrophobicContact CE1-CG 4.49Å; Y48-M304 HydrophobicContact CE2-CE 4.18Å; Y48-M304 HydrophobicContact CE2-CG 4.3Å; Y48-F306 HydrophobicContact CG-CZ 4.15Å |
| 49 | D | 96.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.9 | 164.5 | -162.7 | -63.4 | 0 | 0 | 0 | 109.6 | Q51 E52 G53 K54 K56 | D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.5Å; D49-Q51 PolarHBondContact OD1-N 3.21Å; D49-E52 HydrophobicContact CB-CB 4.16Å; D49-E52 PolarHBondContact OD1-N 2.9Å; D49-G53 CarbonylContact O-C 3.57Å; D49-G53 WeakPolarHBondContact O-CA 3.31Å; D49-G53 PolarHBondContact O-N 3.32Å; D49-K54 HydrophobicContact CB-CG 4.36Å; D49-K54 PolarHBondContact N-O 3.23Å; D49-K54 PolarHBondContact O-N 3.41Å; D49-K56 HydrophobicContact CB-CD 4.28Å; D49-K56 HydrophobicContact CB-CG 3.98Å; D49-K56 WeakPolarHBondContact OD2-CE 3.24Å; D49-K56 IonicContact OD2-NZ 3.8Å; D49-K56 PolarHBondContact OD2-NZ 2.89Å |
| 50 | C | 95.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -24.8 | 177.3 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | E34 | E34-C50 WeakPolarHBondContact O-CB 3.39Å; E34-C50 PolarHBondContact O-N 3.44Å |
| 51 | Q | 93.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 45.2 Ų | 45.2 | 58% | 0.584 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -47.7 | 179.9 | -63.8 | -179.7 | -19.4 | 0 | 0 | 111.1 | E34 D49 G53 | E34-Q51 VanDerWaalsContact CD-NE2 3.34Å; E34-Q51 PolarHBondContact OE1-NE2 2.88Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.5Å; D49-Q51 PolarHBondContact OD1-N 3.21Å; Q51-G53 VanDerWaalsContact C-N 3.34Å |
| 52 | E | 93.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16 | 176.6 | -60.4 | -175.4 | 140.2 | 0 | 0 | 112.3 | D49 K54 | D49-E52 HydrophobicContact CB-CB 4.16Å; D49-E52 PolarHBondContact OD1-N 2.9Å; E52-K54 HydrophobicContact CB-CD 4.16Å; E52-K54 HydrophobicContact CB-CG 4.15Å; E52-K54 IonicContact OE1-NZ 3.5Å; E52-K54 PolarHBondContact OE1-NZ 2.81Å; E52-K54 VanDerWaalsContact OE2-CD 3.26Å; E52-K54 WeakPolarHBondContact OE2-CD 3.42Å; E52-K54 WeakPolarHBondContact OE2-CE 3.35Å; E52-K54 IonicContact OE2-NZ 2.84Å; E52-K54 PolarHBondContact OE2-NZ 2.82Å |
| 53 | G | 94 | Very high | 96.6 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 48.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K15 F17 D49 Q51 | K15-G53 WeakPolarHBondContact CD-O 3.27Å; K15-G53 WeakPolarHBondContact CE-O 3.34Å; K15-G53 PolarHBondContact NZ-O 2.8Å; F17-G53 VanDerWaalsContact CE1-O 3.29Å; F17-G53 WeakPolarHBondContact CE1-O 3.3Å; F17-G53 VanDerWaalsContact CZ-O 3.27Å; F17-G53 WeakPolarHBondContact CZ-O 3.34Å; D49-G53 CarbonylContact O-C 3.57Å; D49-G53 WeakPolarHBondContact O-CA 3.31Å; D49-G53 PolarHBondContact O-N 3.32Å; Q51-G53 VanDerWaalsContact C-N 3.34Å |
| 54 | K | 95.4 | Very high | 96.5 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 150.1 | -179.2 | 77.5 | -172.5 | -161.9 | -151 | 0 | 112.2 | D49 E52 K56 | D49-K54 HydrophobicContact CB-CG 4.36Å; D49-K54 PolarHBondContact N-O 3.23Å; D49-K54 PolarHBondContact O-N 3.41Å; E52-K54 HydrophobicContact CB-CD 4.16Å; E52-K54 HydrophobicContact CB-CG 4.15Å; E52-K54 IonicContact OE1-NZ 3.5Å; E52-K54 PolarHBondContact OE1-NZ 2.81Å; E52-K54 VanDerWaalsContact OE2-CD 3.26Å; E52-K54 WeakPolarHBondContact OE2-CD 3.42Å; E52-K54 WeakPolarHBondContact OE2-CE 3.35Å; E52-K54 IonicContact OE2-NZ 2.84Å; E52-K54 PolarHBondContact OE2-NZ 2.82Å; K54-K56 PolarHBondContact O-N 2.9Å |
| 55 | P | 96.4 | Very high | 96.5 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 130.6 | 167.9 | 29.6 | -33.4 | 0 | 0 | 0 | 108.9 | E19 V46 L47 Y48 | E19-P55 HydrophobicContact CG-CB 3.98Å; E19-P55 HydrophobicContact CG-CG 4.24Å; V46-P55 HydrophobicContact CG1-CB 4.43Å; L47-P55 CarbonylContact O-C 3.53Å; Y48-P55 HydrophobicContact CD1-CB 4.15Å; Y48-P55 HydrophobicContact CE1-CB 4.28Å |
| 56 | K | 95 | Very high | 96.5 | Very high | 113 Ų | 113 | 55.8 Ų | 55.8 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -46.6 | 175.4 | -70.3 | -164.3 | -178.8 | -174.6 | 0 | 111.9 | L47 D49 K54 | L47-K56 HydrophobicContact CB-CB 4.47Å; L47-K56 HydrophobicContact CD2-CB 4.03Å; L47-K56 HydrophobicContact CD2-CD 4.2Å; L47-K56 HydrophobicContact CG-CB 4.05Å; L47-K56 HydrophobicContact CG-CD 4.44Å; L47-K56 PolarHBondContact O-N 2.88Å; D49-K56 HydrophobicContact CB-CD 4.28Å; D49-K56 HydrophobicContact CB-CG 3.98Å; D49-K56 WeakPolarHBondContact OD2-CE 3.24Å; D49-K56 IonicContact OD2-NZ 3.8Å; D49-K56 PolarHBondContact OD2-NZ 2.89Å; K54-K56 PolarHBondContact O-N 2.9Å |
| 57 | R | 94.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 143.1 | -169 | -169.8 | 174.5 | -173.9 | 173.6 | 3.6 | 111 | L47 L59 L94 H95 | L47-R57 HydrophobicContact CB-CB 4.38Å; L47-R57 PolarHBondContact N-O 3.5Å; L47-R57 PolarHBondContact O-N 2.92Å; R57-L59 HydrophobicContact CG-CD2 4.18Å; R57-L59 HydrophobicContact CG-CG 4.49Å; R57-L59 VanDerWaalsContact NE-CD2 3.31Å; R57-L94 PolarHBondContact NH1-O 2.97Å; R57-H95 PolarHBondContact NH1-O 2.95Å |
| 58 | T | 97.2 | Very high | 96.5 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.1 | 169.1 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | L45 V46 Y60 | L45-T58 CarbonylContact O-C 3.53Å; L45-T58 WeakPolarHBondContact O-CA 3.3Å; V46-T58 HydrophobicContact CG2-CG2 4.07Å; T58-Y60 HydrophobicContact CG2-CD2 4.43Å; T58-Y60 HydrophobicContact CG2-CE1 4.34Å; T58-Y60 HydrophobicContact CG2-CE2 3.74Å |
| 59 | L | 97.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 164.3 | 171.8 | -56.3 | 175.5 | 0 | 0 | 0 | 108.8 | S44 L45 R57 L92 L94 N97 | S44-L59 CarbonylContact C-O 3.53Å; S44-L59 WeakPolarHBondContact CA-O 3.32Å; L45-L59 HydrophobicContact CB-CB 4.24Å; L45-L59 HydrophobicContact CD1-CB 4.08Å; L45-L59 PolarHBondContact N-O 2.87Å; L45-L59 PolarHBondContact O-N 2.83Å; R57-L59 HydrophobicContact CG-CD2 4.18Å; R57-L59 HydrophobicContact CG-CG 4.49Å; R57-L59 VanDerWaalsContact NE-CD2 3.31Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; L59-L94 HydrophobicContact CD1-CD2 3.89Å; L59-N97 HydrophobicContact CD2-CB 3.99Å |
| 60 | Y | 97.4 | Very high | 96.6 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 48% | 0.475 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.3 | 179.5 | -66.6 | -88.2 | 0 | 0 | 0 | 112 | D43 T58 | D43-Y60 WeakPolarHBondContact O-CA 3.37Å; T58-Y60 HydrophobicContact CG2-CD2 4.43Å; T58-Y60 HydrophobicContact CG2-CE1 4.34Å; T58-Y60 HydrophobicContact CG2-CE2 3.74Å |
| 61 | S | 97.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -106.8 | 46.5 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | D43 K63 Y64 G65 Y80 | D43-S61 PolarHBondContact O-N 3.03Å; S61-K63 PolarHBondContact O-N 3.02Å; S61-Y64 PolarHBondContact O-N 2.86Å; S61-G65 VanDerWaalsContact CB-O 3.27Å; S61-G65 WeakPolarHBondContact CB-O 3.24Å; S61-G65 WeakPolarHBondContact O-CA 3.23Å; S61-G65 PolarHBondContact O-N 2.96Å; S61-G65 PolarHBondContact OG-O 3.33Å; S61-Y80 WeakPolarHBondContact CB-OH 3.42Å; S61-Y80 PolarHBondContact OG-OH 3.12Å | ||
| 62 | K | 96.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 50.9 Ų | 50.9 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -37.5 | -169.1 | -60.8 | -166.8 | 176 | -174.2 | 0 | 115.4 | ||
| 63 | K | 97.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 48.7 Ų | 48.7 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -37.1 | -177.7 | -178.9 | 173.3 | 176.7 | -168.2 | 0 | 112.4 | S61 I85 | S61-K63 PolarHBondContact O-N 3.02Å; K63-I85 HydrophobicContact CD-CD1 4.35Å; K63-I85 HydrophobicContact CG-CD1 3.51Å; K63-I85 WeakPolarHBondContact O-CD1 3.12Å; K63-I85 VanDerWaalsContact O-CG1 3.23Å; K63-I85 WeakPolarHBondContact O-CG1 3.41Å |
| 64 | Y | 97.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -11.2 | -168.3 | -59 | -71.6 | 0 | 0 | 0 | 113.5 | S61 S82 N83 K84 I85 R90 | S61-Y64 PolarHBondContact O-N 2.86Å; Y64-S82 WeakPolarHBondContact O-CB 3.36Å; Y64-N83 PolarHBondContact O-N 2.76Å; Y64-N83 VanDerWaalsContact O-N 3.09Å; Y64-K84 PolarHBondContact O-N 3.03Å; Y64-I85 HydrophobicContact CD1-CB 4.05Å; Y64-I85 HydrophobicContact CD1-CD1 4.46Å; Y64-I85 HydrophobicContact CD1-CG2 4.45Å; Y64-I85 HydrophobicContact CE1-CB 4.42Å; Y64-I85 HydrophobicContact CE1-CD1 4.45Å; Y64-I85 HydrophobicContact CE1-CG2 4.37Å; Y64-R90 VanDerWaalsContact CD2-CZ 3.47Å; Y64-R90 VanDerWaalsContact CE1-NH2 3.29Å |
| 65 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 65.2 | -174 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D43 S61 Y80 N83 | D43-G65 WeakPolarHBondContact OD1-CA 3.29Å; S61-G65 VanDerWaalsContact CB-O 3.27Å; S61-G65 WeakPolarHBondContact CB-O 3.24Å; S61-G65 WeakPolarHBondContact O-CA 3.23Å; S61-G65 PolarHBondContact O-N 2.96Å; S61-G65 PolarHBondContact OG-O 3.33Å; G65-Y80 WeakPolarHBondContact O-CE2 3.31Å; G65-N83 VanDerWaalsContact CA-OD1 3.24Å; G65-N83 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 66 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -154.5 | 131.1 | -179.7 | 61.1 | 0 | 0 | 0 | 0 | 108.9 | N25 S40 L45 Y80 N83 | N25-V66 PolarHBondContact ND2-O 2.89Å; S40-V66 WeakPolarHBondContact O-CG1 3.48Å; L45-V66 HydrophobicContact CD2-CB 4.46Å; L45-V66 HydrophobicContact CD2-CG2 3.58Å; L45-V66 HydrophobicContact CG-CG1 4.45Å; L45-V66 HydrophobicContact CG-CG2 4.12Å; V66-Y80 HydrophobicContact CB-CD2 4.02Å; V66-Y80 HydrophobicContact CB-CE2 4.16Å; V66-Y80 HydrophobicContact CG2-CD2 3.55Å; V66-Y80 HydrophobicContact CG2-CE2 4.13Å; V66-Y80 HydrophobicContact CG2-CG 3.94Å; V66-N83 PolarHBondContact N-OD1 3.46Å; V66-N83 VanDerWaalsContact N-OD1 3.12Å; V66-N83 PolarHBondContact O-ND2 2.84Å | ||
| 67 | D | 97.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | trans | -121.8 | -85 | 179 | -172.4 | 15.3 | 0 | 0 | 0 | 111.5 | N25 C26 S39 S81 N83 R109 | N25-D67 WeakPolarHBondContact CB-O 3.33Å; C26-D67 WeakPolarHBondContact CB-O 3.22Å; S39-D67 WeakPolarHBondContact CB-O 3.24Å; S39-D67 PolarHBondContact OG-O 2.7Å; D67-S81 PolarHBondContact N-O 2.86Å; D67-N83 HydrophobicContact CB-CB 3.95Å; D67-R109 IonicContact OD2-NE 3.26Å | ||
| 68 | L | 98.3 | Very high | 96.6 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | trans | -83.5 | 143.3 | 175.3 | -55.4 | 176.3 | 0 | 0 | 0 | 110 | C26 Y80 S81 V110 L113 | C26-L68 HydrophobicContact CB-CD2 4.45Å; L68-Y80 CarbonylContact O-C 3.56Å; L68-Y80 WeakPolarHBondContact O-CA 3.45Å; L68-Y80 WeakPolarHBondContact O-CB 3.39Å; L68-S81 WeakPolarHBondContact CB-OG 3.48Å; L68-S81 PolarHBondContact N-OG 3.2Å; L68-S81 PolarHBondContact O-N 3.21Å; L68-V110 HydrophobicContact CD1-CG1 4.12Å; L68-L113 HydrophobicContact CB-CB 3.97Å; L68-L113 HydrophobicContact CB-CD2 4.05Å; L68-L113 HydrophobicContact CD1-CB 3.81Å | ||
| 69 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.5 | 176 | -171.9 | 154.2 | 0 | 0 | 0 | 111.9 | C26 I37 S39 L45 V78 V79 | C26-I69 HydrophobicContact CB-CG2 4.24Å; I37-I69 HydrophobicContact CB-CD1 4.43Å; I37-I69 HydrophobicContact CG1-CD1 3.5Å; I37-I69 VanDerWaalsContact CG1-CD1 3.5Å; I37-I69 HydrophobicContact CG1-CG1 4.34Å; I37-I69 HydrophobicContact CG2-CD1 4.04Å; I37-I69 HydrophobicContact CG2-CG1 3.96Å; I37-I69 HydrophobicContact CG2-CG2 4.41Å; S39-I69 WeakPolarHBondContact OG-CG2 3.45Å; L45-I69 HydrophobicContact CD2-CD1 3.21Å; I69-V78 HydrophobicContact CD1-CB 4.19Å; I69-V78 HydrophobicContact CD1-CG2 4.02Å; I69-V78 HydrophobicContact CG1-CB 4.17Å; I69-V78 HydrophobicContact CG1-CG2 4.48Å; I69-V79 CarbonylContact C-O 3.46Å; I69-V79 WeakPolarHBondContact CA-O 3.17Å |
| 70 | R | 98.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.8 | 174.3 | -61.7 | -68.4 | 173 | -112 | 6 | 111 | C26 D28 V78 V79 L113 M115 | C26-R70 PolarHBondContact SG-NH1 2.85Å; D28-R70 VanDerWaalsContact OD2-CA 3.22Å; D28-R70 WeakPolarHBondContact OD2-CA 3.42Å; D28-R70 WeakPolarHBondContact OD2-CD 3.49Å; R70-V78 CarbonylContact O-C 3.57Å; R70-V78 WeakPolarHBondContact O-CA 3.45Å; R70-V78 WeakPolarHBondContact O-CB 3.36Å; R70-V79 HydrophobicContact CB-CG2 4.05Å; R70-V79 PolarHBondContact N-O 2.95Å; R70-V79 PolarHBondContact O-N 2.91Å; R70-L113 HydrophobicContact CG-CD2 4.16Å; R70-L113 HydrophobicContact CG-CG 4.14Å; R70-L113 PolarHBondContact NE-O 3.03Å; R70-M115 HydrophobicContact CB-CG 3.86Å |
| 71 | Y | 98.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 146 | 161.8 | -85.7 | -76.8 | 0 | 0 | 0 | 109.9 | D28 F29 C30 I37 L47 A75 V78 L94 M115 | D28-Y71 HydrophobicContact CB-CD2 4.26Å; D28-Y71 WeakPolarHBondContact O-CE2 3.44Å; D28-Y71 PolarHBondContact OD2-N 3.22Å; F29-Y71 WeakPolarHBondContact O-CD2 3.38Å; C30-Y71 HydrophobicContact CB-CD1 4.09Å; C30-Y71 HydrophobicContact CB-CD2 3.95Å; C30-Y71 HydrophobicContact CB-CE1 4.08Å; C30-Y71 HydrophobicContact CB-CE2 3.9Å; C30-Y71 HydrophobicContact CB-CG 4.02Å; I37-Y71 HydrophobicContact CB-CE2 3.79Å; I37-Y71 HydrophobicContact CG2-CD2 3.66Å; I37-Y71 HydrophobicContact CG2-CE1 4.49Å; I37-Y71 HydrophobicContact CG2-CE2 3.39Å; I37-Y71 HydrophobicContact CG2-CG 4.36Å; L47-Y71 WeakPolarHBondContact CD1-OH 3.28Å; Y71-A75 VanDerWaalsContact CE1-O 3.27Å; Y71-A75 WeakPolarHBondContact CE1-O 3.49Å; Y71-V78 HydrophobicContact CD1-CG1 3.85Å; Y71-V78 HydrophobicContact CE1-CG1 4.06Å; Y71-V78 HydrophobicContact CG-CG1 4.29Å; Y71-L94 HydrophobicContact CE1-CD1 3.79Å; Y71-M115 VanDerWaalsContact O-CG 3.26Å; Y71-M115 WeakPolarHBondContact O-CG 3.32Å |
| 72 | T | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | trans | -86.6 | -175.7 | 163.6 | 79.9 | 0 | 0 | 0 | 0 | 110.1 | A74 T77 V79 Y91 M115 L136 | T72-A74 PolarHBondContact O-N 3.11Å; T72-A74 PolarHBondContact OG1-N 3.33Å; T72-A74 VanDerWaalsContact OG1-N 3.15Å; T72-A74 PolarHBondContact OG1-O 2.76Å; T72-T77 PolarHBondContact N-O 3.11Å; T72-T77 PolarHBondContact OG1-OG1 2.83Å; T72-V79 HydrophobicContact CG2-CG1 4.24Å; T72-Y91 HydrophobicContact CG2-CD2 4.09Å; T72-Y91 HydrophobicContact CG2-CE2 3.48Å; T72-Y91 VanDerWaalsContact CG2-CE2 3.48Å; T72-M115 HydrophobicContact CG2-CE 4.42Å; T72-M115 HydrophobicContact CG2-SD 4.46Å; T72-L136 HydrophobicContact CG2-CD1 3.63Å; T72-L136 HydrophobicContact CG2-CD2 4.38Å | ||
| 73 | H | 94 | Very high | 96.8 | Very high | 70 Ų | 70 | 27.9 Ų | 27.9 | 32% | 0.324 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -64.2 | -23.8 | 172.8 | -64.8 | -61.5 | 0 | 0 | 0 | 113.3 | S116 P117 D119 D120 | H73-S116 PolarHBondContact CE1-O 2.91Å; H73-S116 PolarHBondContact NE2-O 2.83Å; H73-P117 PolarHBondContact CE1-O 3.33Å; H73-D119 VanDerWaalsContact CD2-C 3.46Å; H73-D119 PolarHBondContact CD2-O 3.41Å; H73-D119 VanDerWaalsContact CD2-O 3.29Å; H73-D119 VanDerWaalsContact NE2-C 3.35Å; H73-D119 PolarHBondContact NE2-N 3.48Å; H73-D119 PolarHBondContact NE2-O 3.12Å; H73-D120 IonicContact CD2-OD1 3.18Å; H73-D120 PolarHBondContact CD2-OD1 3.27Å |
| 74 | A | 92.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -83.2 | 123.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T72 N76 T77 | T72-A74 PolarHBondContact O-N 3.11Å; T72-A74 PolarHBondContact OG1-N 3.33Å; T72-A74 VanDerWaalsContact OG1-N 3.15Å; T72-A74 PolarHBondContact OG1-O 2.76Å; A74-N76 PolarHBondContact O-N 2.87Å; A74-T77 HydrophobicContact CB-CG2 4.48Å; A74-T77 PolarHBondContact O-N 2.78Å; A74-T77 VanDerWaalsContact O-N 3.13Å; A74-T77 PolarHBondContact O-OG1 3.35Å |
| 75 | A | 87.1 | Confident | 96.8 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 38% | 0.38 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -18.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y71 | Y71-A75 VanDerWaalsContact CE1-O 3.27Å; Y71-A75 WeakPolarHBondContact CE1-O 3.49Å |
| 76 | N | 93.8 | Very high | 96.7 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 52% | 0.519 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 13.1 | -176.7 | -69.9 | -32.3 | 0 | 0 | 0 | 113.4 | A74 L94 | A74-N76 PolarHBondContact O-N 2.87Å; N76-L94 WeakPolarHBondContact O-CB 3.47Å; N76-L94 PolarHBondContact O-N 2.73Å |
| 77 | T | 97.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.3 | -179 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | T72 A74 Y91 L92 I100 | T72-T77 PolarHBondContact N-O 3.11Å; T72-T77 PolarHBondContact OG1-OG1 2.83Å; A74-T77 HydrophobicContact CB-CG2 4.48Å; A74-T77 PolarHBondContact O-N 2.78Å; A74-T77 VanDerWaalsContact O-N 3.13Å; A74-T77 PolarHBondContact O-OG1 3.35Å; T77-Y91 HydrophobicContact CG2-CE2 4.25Å; T77-Y91 VanDerWaalsContact OG1-CE2 3.32Å; T77-Y91 WeakPolarHBondContact OG1-CE2 3.49Å; T77-Y91 PolarHBondContact OG1-OH 2.98Å; T77-L92 CarbonylContact C-O 3.42Å; T77-L92 VanDerWaalsContact CA-O 3.24Å; T77-L92 WeakPolarHBondContact CA-O 3.36Å; T77-L92 WeakPolarHBondContact CB-O 3.27Å; T77-I100 HydrophobicContact CG2-CD1 3.72Å |
| 78 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.8 | -173.7 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | I37 I69 R70 Y71 Y91 L92 L94 | I37-V78 HydrophobicContact CB-CG1 4.45Å; I37-V78 HydrophobicContact CG1-CG1 4.31Å; I37-V78 HydrophobicContact CG2-CG1 3.93Å; I69-V78 HydrophobicContact CD1-CB 4.19Å; I69-V78 HydrophobicContact CD1-CG2 4.02Å; I69-V78 HydrophobicContact CG1-CB 4.17Å; I69-V78 HydrophobicContact CG1-CG2 4.48Å; R70-V78 CarbonylContact O-C 3.57Å; R70-V78 WeakPolarHBondContact O-CA 3.45Å; R70-V78 WeakPolarHBondContact O-CB 3.36Å; Y71-V78 HydrophobicContact CD1-CG1 3.85Å; Y71-V78 HydrophobicContact CE1-CG1 4.06Å; Y71-V78 HydrophobicContact CG-CG1 4.29Å; V78-Y91 WeakPolarHBondContact O-CA 3.43Å; V78-Y91 WeakPolarHBondContact O-CD2 3.26Å; V78-L92 HydrophobicContact CG2-CB 3.96Å; V78-L92 HydrophobicContact CG2-CD2 4.29Å; V78-L92 HydrophobicContact CG2-CG 4.49Å; V78-L92 PolarHBondContact N-O 2.85Å; V78-L92 PolarHBondContact O-N 3.01Å; V78-L94 HydrophobicContact CG1-CD1 3.77Å; V78-L94 HydrophobicContact CG1-CD2 4.17Å; V78-L94 HydrophobicContact CG1-CG 4.08Å; V78-L94 HydrophobicContact CG2-CD2 3.83Å; V78-L94 HydrophobicContact CG2-CG 4.34Å |
| 79 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.6 | 162.8 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | I69 R70 T72 I89 R90 Y91 F103 L113 M115 F122 L136 | I69-V79 CarbonylContact C-O 3.46Å; I69-V79 WeakPolarHBondContact CA-O 3.17Å; R70-V79 HydrophobicContact CB-CG2 4.05Å; R70-V79 PolarHBondContact N-O 2.95Å; R70-V79 PolarHBondContact O-N 2.91Å; T72-V79 HydrophobicContact CG2-CG1 4.24Å; V79-I89 HydrophobicContact CB-CG2 4.29Å; V79-R90 CarbonylContact C-O 3.56Å; V79-R90 VanDerWaalsContact CA-O 3.28Å; V79-R90 WeakPolarHBondContact CA-O 3.5Å; V79-Y91 HydrophobicContact CG1-CD2 3.9Å; V79-Y91 HydrophobicContact CG1-CG 4.33Å; V79-F103 HydrophobicContact CG1-CE2 4.23Å; V79-L113 HydrophobicContact CG2-CD2 4.21Å; V79-M115 HydrophobicContact CG2-CG 4.4Å; V79-M115 HydrophobicContact CG2-SD 3.61Å; V79-F122 HydrophobicContact CG1-CE1 4.38Å; V79-L136 HydrophobicContact CG1-CD2 3.49Å; V79-L136 VanDerWaalsContact CG1-CD2 3.49Å |
| 80 | Y | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.4 | 175.6 | 75.8 | -93.3 | 0 | 0 | 0 | 112.5 | L45 S61 G65 V66 L68 I89 R90 L92 Y99 | L45-Y80 HydrophobicContact CD2-CD1 4.37Å; L45-Y80 HydrophobicContact CD2-CG 4.48Å; S61-Y80 WeakPolarHBondContact CB-OH 3.42Å; S61-Y80 PolarHBondContact OG-OH 3.12Å; G65-Y80 WeakPolarHBondContact O-CE2 3.31Å; V66-Y80 HydrophobicContact CB-CD2 4.02Å; V66-Y80 HydrophobicContact CB-CE2 4.16Å; V66-Y80 HydrophobicContact CG2-CD2 3.55Å; V66-Y80 HydrophobicContact CG2-CE2 4.13Å; V66-Y80 HydrophobicContact CG2-CG 3.94Å; L68-Y80 CarbonylContact O-C 3.56Å; L68-Y80 WeakPolarHBondContact O-CA 3.45Å; L68-Y80 WeakPolarHBondContact O-CB 3.39Å; Y80-I89 CarbonylContact O-C 3.52Å; Y80-I89 VanDerWaalsContact O-CA 3.31Å; Y80-I89 WeakPolarHBondContact O-CA 3.49Å; Y80-I89 WeakPolarHBondContact O-CG2 3.41Å; Y80-R90 HydrophobicContact CD1-CB 4.08Å; Y80-R90 HydrophobicContact CE1-CB 3.65Å; Y80-R90 HydrophobicContact CE2-CB 4.27Å; Y80-R90 HydrophobicContact CE2-CG 4.4Å; Y80-R90 PolarHBondContact N-O 2.87Å; Y80-R90 PolarHBondContact O-N 2.77Å; Y80-R90 WeakPolarHBondContact OH-CD 3.15Å; Y80-L92 HydrophobicContact CE1-CB 4.25Å; Y80-L92 HydrophobicContact CE1-CD2 4.22Å; Y80-Y99 HydrophobicContact CE1-CE1 4.06Å; Y80-Y99 VanDerWaalsContact OH-CE1 3.31Å; Y80-Y99 WeakPolarHBondContact OH-CE1 3.46Å; Y80-Y99 PolarHBondContact OH-OH 2.85Å; Y80-Y99 VanDerWaalsContact OH-OH 3.09Å |
| 81 | S | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.3 | 174.9 | 62 | 0 | 0 | 0 | 0 | 111.6 | D67 L68 | D67-S81 PolarHBondContact N-O 2.86Å; L68-S81 WeakPolarHBondContact CB-OG 3.48Å; L68-S81 PolarHBondContact N-OG 3.2Å; L68-S81 PolarHBondContact O-N 3.21Å |
| 82 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -77.4 | 154.6 | 171.4 | -51.6 | 0 | 0 | 0 | 0 | 110.5 | Y64 D86 T88 R90 | Y64-S82 WeakPolarHBondContact O-CB 3.36Å; S82-D86 CarbonylContact C-O 3.45Å; S82-D86 WeakPolarHBondContact CB-O 3.5Å; S82-T88 VanDerWaalsContact CB-O 3.27Å; S82-T88 WeakPolarHBondContact CB-O 3.13Å; S82-T88 PolarHBondContact N-O 2.85Å; S82-T88 PolarHBondContact OG-O 3.07Å; S82-R90 WeakPolarHBondContact OG-CD 3.46Å; S82-R90 PolarHBondContact OG-NE 3.19Å | ||
| 83 | N | 96.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 33 Ų | 33 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | trans | -143.3 | 13.1 | -178.4 | 66 | -5 | 0 | 0 | 0 | 114.6 | Y64 G65 V66 D67 | Y64-N83 PolarHBondContact O-N 2.76Å; Y64-N83 VanDerWaalsContact O-N 3.09Å; G65-N83 VanDerWaalsContact CA-OD1 3.24Å; G65-N83 WeakPolarHBondContact CA-OD1 3.33Å; V66-N83 PolarHBondContact N-OD1 3.46Å; V66-N83 VanDerWaalsContact N-OD1 3.12Å; V66-N83 PolarHBondContact O-ND2 2.84Å; D67-N83 HydrophobicContact CB-CB 3.95Å | ||
| 84 | K | 96.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 30.1 Ų | 30.1 | 48% | 0.478 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -112.7 | -83.1 | 177 | -69.1 | -175 | 168.8 | -178.2 | 0 | 113.6 | D43 Y64 | D43-K84 WeakPolarHBondContact OD1-CE 3.33Å; D43-K84 IonicContact OD1-NZ 2.65Å; D43-K84 PolarHBondContact OD1-NZ 2.89Å; D43-K84 IonicContact OD2-NZ 2.83Å; D43-K84 PolarHBondContact OD2-NZ 2.66Å; Y64-K84 PolarHBondContact O-N 3.03Å |
| 85 | I | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 34.5 Ų | 34.5 | 56% | 0.559 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -77.5 | -37.4 | -173.6 | -70.6 | 179.7 | 0 | 0 | 0 | 111.4 | K63 Y64 | K63-I85 HydrophobicContact CD-CD1 4.35Å; K63-I85 HydrophobicContact CG-CD1 3.51Å; K63-I85 WeakPolarHBondContact O-CD1 3.12Å; K63-I85 VanDerWaalsContact O-CG1 3.23Å; K63-I85 WeakPolarHBondContact O-CG1 3.41Å; Y64-I85 HydrophobicContact CD1-CB 4.05Å; Y64-I85 HydrophobicContact CD1-CD1 4.46Å; Y64-I85 HydrophobicContact CD1-CG2 4.45Å; Y64-I85 HydrophobicContact CE1-CB 4.42Å; Y64-I85 HydrophobicContact CE1-CD1 4.45Å; Y64-I85 HydrophobicContact CE1-CG2 4.37Å |
| 86 | D | 96.8 | Very high | 97.1 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | trans | -145.6 | 168.8 | -178.7 | 63.1 | 3.4 | 0 | 0 | 0 | 110.9 | S82 T88 R90 | S82-D86 CarbonylContact C-O 3.45Å; S82-D86 WeakPolarHBondContact CB-O 3.5Å; D86-T88 VanDerWaalsContact C-N 3.33Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 WeakPolarHBondContact OD2-CB 3.24Å; D86-T88 PolarHBondContact OD2-OG1 2.84Å; D86-R90 IonicContact OD1-NH2 2.78Å; D86-R90 PolarHBondContact OD1-NH2 2.98Å; D86-R90 IonicContact OD2-NH2 3.66Å; D86-R90 PolarHBondContact OD2-NH2 2.84Å | ||
| 87 | D | 97.4 | Very high | 97.2 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | trans | -99.8 | 21.4 | 176.6 | -57.4 | -68.5 | 0 | 0 | 0 | 111.8 | H106 N107 K108 R109 | D87-H106 HydrophobicContact CB-CB 4.14Å; D87-N107 VanDerWaalsContact OD2-C 3.29Å; D87-K108 WeakPolarHBondContact CB-O 3.46Å; D87-K108 VanDerWaalsContact CG-O 3.29Å; D87-K108 WeakPolarHBondContact OD2-CA 3.45Å; D87-K108 PolarHBondContact OD2-N 2.66Å; D87-K108 VanDerWaalsContact OD2-N 3.08Å; D87-R109 WeakPolarHBondContact OD1-CA 3.49Å; D87-R109 PolarHBondContact OD1-N 3.28Å | ||
| 88 | T | 98.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | trans | -66.5 | 134.9 | -178.2 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | S82 D86 R90 | S82-T88 VanDerWaalsContact CB-O 3.27Å; S82-T88 WeakPolarHBondContact CB-O 3.13Å; S82-T88 PolarHBondContact N-O 2.85Å; S82-T88 PolarHBondContact OG-O 3.07Å; D86-T88 VanDerWaalsContact C-N 3.33Å; D86-T88 VanDerWaalsContact CG-OG1 3.22Å; D86-T88 WeakPolarHBondContact OD2-CB 3.24Å; D86-T88 PolarHBondContact OD2-OG1 2.84Å; T88-R90 HydrophobicContact CG2-CG 4.41Å | ||
| 89 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136.5 | 169.6 | -58.7 | 166.9 | 0 | 0 | 0 | 108.4 | V79 Y80 F103 V110 L113 F122 S124 | V79-I89 HydrophobicContact CB-CG2 4.29Å; Y80-I89 CarbonylContact O-C 3.52Å; Y80-I89 VanDerWaalsContact O-CA 3.31Å; Y80-I89 WeakPolarHBondContact O-CA 3.49Å; Y80-I89 WeakPolarHBondContact O-CG2 3.41Å; I89-F103 HydrophobicContact CB-CB 4.15Å; I89-F103 HydrophobicContact CB-CD2 4.21Å; I89-F103 HydrophobicContact CG2-CD2 4Å; I89-F103 PolarHBondContact N-O 3.37Å; I89-F103 WeakPolarHBondContact O-CD2 3.14Å; I89-F103 PolarHBondContact O-N 3.23Å; I89-V110 HydrophobicContact CD1-CG1 4.36Å; I89-V110 HydrophobicContact CD1-CG2 4.23Å; I89-V110 HydrophobicContact CG1-CG2 4.08Å; I89-L113 HydrophobicContact CD1-CD1 3.99Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; I89-F122 HydrophobicContact CD1-CE2 3.98Å; I89-F122 HydrophobicContact CG2-CE2 3.97Å; I89-F122 HydrophobicContact CG2-CZ 4.06Å; I89-S124 VanDerWaalsContact CD1-CB 3.43Å; I89-S124 WeakPolarHBondContact CD1-OG 3.48Å |
| 90 | R | 98.7 | Very high | 97 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.6 | -171.1 | -60.3 | 179.4 | -179.4 | -82.9 | -16.7 | 109.9 | Y64 V79 Y80 S82 D86 T88 Y99 Y102 | Y64-R90 VanDerWaalsContact CD2-CZ 3.47Å; Y64-R90 VanDerWaalsContact CE1-NH2 3.29Å; V79-R90 CarbonylContact C-O 3.56Å; V79-R90 VanDerWaalsContact CA-O 3.28Å; V79-R90 WeakPolarHBondContact CA-O 3.5Å; Y80-R90 HydrophobicContact CD1-CB 4.08Å; Y80-R90 HydrophobicContact CE1-CB 3.65Å; Y80-R90 HydrophobicContact CE2-CB 4.27Å; Y80-R90 HydrophobicContact CE2-CG 4.4Å; Y80-R90 PolarHBondContact N-O 2.87Å; Y80-R90 PolarHBondContact O-N 2.77Å; Y80-R90 WeakPolarHBondContact OH-CD 3.15Å; S82-R90 WeakPolarHBondContact OG-CD 3.46Å; S82-R90 PolarHBondContact OG-NE 3.19Å; D86-R90 IonicContact OD1-NH2 2.78Å; D86-R90 PolarHBondContact OD1-NH2 2.98Å; D86-R90 IonicContact OD2-NH2 3.66Å; D86-R90 PolarHBondContact OD2-NH2 2.84Å; T88-R90 HydrophobicContact CG2-CG 4.41Å; R90-Y99 HydrophobicContact CB-CD1 4.18Å; R90-Y99 HydrophobicContact CB-CE1 4.15Å; R90-Y102 HydrophobicContact CG-CD1 4.22Å |
| 91 | Y | 98.7 | Very high | 97 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 172.6 | -174.2 | -155.1 | 0 | 0 | 0 | 109.6 | T72 T77 V78 V79 Y99 I100 R101 L136 | T72-Y91 HydrophobicContact CG2-CD2 4.09Å; T72-Y91 HydrophobicContact CG2-CE2 3.48Å; T72-Y91 VanDerWaalsContact CG2-CE2 3.48Å; T77-Y91 HydrophobicContact CG2-CE2 4.25Å; T77-Y91 VanDerWaalsContact OG1-CE2 3.32Å; T77-Y91 WeakPolarHBondContact OG1-CE2 3.49Å; T77-Y91 PolarHBondContact OG1-OH 2.98Å; V78-Y91 WeakPolarHBondContact O-CA 3.43Å; V78-Y91 WeakPolarHBondContact O-CD2 3.26Å; V79-Y91 HydrophobicContact CG1-CD2 3.9Å; V79-Y91 HydrophobicContact CG1-CG 4.33Å; Y91-Y99 CarbonylContact O-C 3.56Å; Y91-Y99 WeakPolarHBondContact O-CA 3.18Å; Y91-I100 HydrophobicContact CD1-CB 3.53Å; Y91-I100 HydrophobicContact CD1-CD1 3.98Å; Y91-I100 HydrophobicContact CD1-CG1 4.35Å; Y91-I100 HydrophobicContact CD1-CG2 3.54Å; Y91-I100 HydrophobicContact CD2-CD1 4.26Å; Y91-I100 HydrophobicContact CE1-CB 3.89Å; Y91-I100 HydrophobicContact CE1-CD1 3.61Å; Y91-I100 HydrophobicContact CE1-CG1 4.37Å; Y91-I100 HydrophobicContact CE1-CG2 3.6Å; Y91-I100 HydrophobicContact CE2-CD1 3.91Å; Y91-I100 HydrophobicContact CG-CB 4.02Å; Y91-I100 HydrophobicContact CG-CD1 4.26Å; Y91-I100 PolarHBondContact O-N 2.49Å; Y91-R101 HydrophobicContact CD1-CB 4.15Å; Y91-R101 PolarHBondContact N-O 3.37Å; Y91-R101 PolarHBondContact O-N 3.47Å; Y91-L136 HydrophobicContact CD1-CD2 4.21Å; Y91-L136 HydrophobicContact CD2-CD2 4.19Å; Y91-L136 HydrophobicContact CE1-CB 4.27Å; Y91-L136 HydrophobicContact CE1-CD2 4.4Å; Y91-L136 HydrophobicContact CE2-CD1 4.45Å; Y91-L136 HydrophobicContact CE2-CD2 4.39Å; Y91-L136 HydrophobicContact CG-CD2 4.14Å |
| 92 | L | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.3 | -170 | 177.9 | 69 | 0 | 0 | 0 | 111.1 | L45 L59 T77 V78 Y80 L94 Y99 | L45-L92 HydrophobicContact CD1-CD2 4.31Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; T77-L92 CarbonylContact C-O 3.42Å; T77-L92 VanDerWaalsContact CA-O 3.24Å; T77-L92 WeakPolarHBondContact CA-O 3.36Å; T77-L92 WeakPolarHBondContact CB-O 3.27Å; V78-L92 HydrophobicContact CG2-CB 3.96Å; V78-L92 HydrophobicContact CG2-CD2 4.29Å; V78-L92 HydrophobicContact CG2-CG 4.49Å; V78-L92 PolarHBondContact N-O 2.85Å; V78-L92 PolarHBondContact O-N 3.01Å; Y80-L92 HydrophobicContact CE1-CB 4.25Å; Y80-L92 HydrophobicContact CE1-CD2 4.22Å; L92-L94 HydrophobicContact CD2-CD2 4.37Å; L92-Y99 HydrophobicContact CD1-CD1 4.06Å; L92-Y99 HydrophobicContact CD1-CE1 4.09Å |
| 93 | S | 97.3 | Very high | 97 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.4 | 164.3 | 166.2 | 0 | 0 | 0 | 0 | 110.2 | H95 D96 N97 K98 | S93-H95 VanDerWaalsContact C-N 3.35Å; S93-D96 WeakPolarHBondContact CB-OD1 3.37Å; S93-D96 PolarHBondContact OG-N 3.31Å; S93-D96 PolarHBondContact OG-OD1 2.86Å; S93-N97 WeakPolarHBondContact O-CA 3.4Å; S93-N97 PolarHBondContact O-N 2.83Å; S93-K98 PolarHBondContact N-O 2.94Å |
| 94 | L | 95.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -24.4 | 177.6 | -61 | 179.1 | 0 | 0 | 0 | 112.6 | I37 L47 R57 L59 Y71 N76 V78 L92 | I37-L94 HydrophobicContact CD1-CD2 4.21Å; L47-L94 HydrophobicContact CD1-CD1 4.49Å; R57-L94 PolarHBondContact NH1-O 2.97Å; L59-L94 HydrophobicContact CD1-CD2 3.89Å; Y71-L94 HydrophobicContact CE1-CD1 3.79Å; N76-L94 WeakPolarHBondContact O-CB 3.47Å; N76-L94 PolarHBondContact O-N 2.73Å; V78-L94 HydrophobicContact CG1-CD1 3.77Å; V78-L94 HydrophobicContact CG1-CD2 4.17Å; V78-L94 HydrophobicContact CG1-CG 4.08Å; V78-L94 HydrophobicContact CG2-CD2 3.83Å; V78-L94 HydrophobicContact CG2-CG 4.34Å; L92-L94 HydrophobicContact CD2-CD2 4.37Å |
| 95 | H | 91.7 | Very high | 97.1 | Very high | 140 Ų | 140 | 52.6 Ų | 52.6 | 65% | 0.648 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -52.6 | -178.6 | 172.2 | -90.4 | 0 | 0 | 0 | 111.4 | R57 S93 | R57-H95 PolarHBondContact NH1-O 2.95Å; S93-H95 VanDerWaalsContact C-N 3.35Å |
| 96 | D | 93.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 3.9 | -176.5 | 72.1 | -20.1 | 0 | 0 | 0 | 114.2 | S93 K98 | S93-D96 WeakPolarHBondContact CB-OD1 3.37Å; S93-D96 PolarHBondContact OG-N 3.31Å; S93-D96 PolarHBondContact OG-OD1 2.86Å; D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 HydrophobicContact CB-CG 4.49Å; D96-K98 PolarHBondContact O-N 3.02Å; D96-K98 PolarHBondContact OD1-N 3.29Å; D96-K98 WeakPolarHBondContact OD2-CD 3.29Å; D96-K98 VanDerWaalsContact OD2-CE 3.28Å; D96-K98 WeakPolarHBondContact OD2-CE 3.39Å; D96-K98 WeakPolarHBondContact OD2-CG 3.37Å; D96-K98 IonicContact OD2-NZ 2.69Å; D96-K98 PolarHBondContact OD2-NZ 2.89Å |
| 97 | N | 95.1 | Very high | 97.2 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41 | -179.8 | -169.9 | 40.5 | 0 | 0 | 0 | 112.9 | L59 S93 | L59-N97 HydrophobicContact CD2-CB 3.99Å; S93-N97 WeakPolarHBondContact O-CA 3.4Å; S93-N97 PolarHBondContact O-N 2.83Å |
| 98 | K | 96.8 | Very high | 97.2 | Very high | 130 Ų | 130 | 55.8 Ų | 55.8 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.8 | 176.7 | -66.3 | -170.4 | -161.9 | 132.2 | 0 | 111.5 | S93 D96 I100 | S93-K98 PolarHBondContact N-O 2.94Å; D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 HydrophobicContact CB-CG 4.49Å; D96-K98 PolarHBondContact O-N 3.02Å; D96-K98 PolarHBondContact OD1-N 3.29Å; D96-K98 WeakPolarHBondContact OD2-CD 3.29Å; D96-K98 VanDerWaalsContact OD2-CE 3.28Å; D96-K98 WeakPolarHBondContact OD2-CE 3.39Å; D96-K98 WeakPolarHBondContact OD2-CG 3.37Å; D96-K98 IonicContact OD2-NZ 2.69Å; D96-K98 PolarHBondContact OD2-NZ 2.89Å; K98-I100 PolarHBondContact O-N 3.04Å |
| 99 | Y | 97.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 119.2 | 167.9 | -62.8 | -70.5 | 0 | 0 | 0 | 109.2 | Y80 R90 Y91 L92 Y102 | Y80-Y99 HydrophobicContact CE1-CE1 4.06Å; Y80-Y99 VanDerWaalsContact OH-CE1 3.31Å; Y80-Y99 WeakPolarHBondContact OH-CE1 3.46Å; Y80-Y99 PolarHBondContact OH-OH 2.85Å; Y80-Y99 VanDerWaalsContact OH-OH 3.09Å; R90-Y99 HydrophobicContact CB-CD1 4.18Å; R90-Y99 HydrophobicContact CB-CE1 4.15Å; Y91-Y99 CarbonylContact O-C 3.56Å; Y91-Y99 WeakPolarHBondContact O-CA 3.18Å; L92-Y99 HydrophobicContact CD1-CD1 4.06Å; L92-Y99 HydrophobicContact CD1-CE1 4.09Å; Y99-Y102 VanDerWaalsContact CB-OH 3.3Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.33Å; Y99-Y102 HydrophobicContact CD1-CE1 4.03Å; Y99-Y102 HydrophobicContact CD2-CE1 4.19Å; Y99-Y102 AromaticContact CG-CE1 3.69Å; Y99-Y102 HydrophobicContact CG-CE1 3.69Å; Y99-Y102 AromaticContact CG-CZ 4Å |
| 100 | I | 98 | Very high | 97.1 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 41% | 0.41 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -42.7 | 176 | -57.8 | 166.9 | 0 | 0 | 0 | 109 | T77 Y91 K98 | T77-I100 HydrophobicContact CG2-CD1 3.72Å; Y91-I100 HydrophobicContact CD1-CB 3.53Å; Y91-I100 HydrophobicContact CD1-CD1 3.98Å; Y91-I100 HydrophobicContact CD1-CG1 4.35Å; Y91-I100 HydrophobicContact CD1-CG2 3.54Å; Y91-I100 HydrophobicContact CD2-CD1 4.26Å; Y91-I100 HydrophobicContact CE1-CB 3.89Å; Y91-I100 HydrophobicContact CE1-CD1 3.61Å; Y91-I100 HydrophobicContact CE1-CG1 4.37Å; Y91-I100 HydrophobicContact CE1-CG2 3.6Å; Y91-I100 HydrophobicContact CE2-CD1 3.91Å; Y91-I100 HydrophobicContact CG-CB 4.02Å; Y91-I100 HydrophobicContact CG-CD1 4.26Å; Y91-I100 PolarHBondContact O-N 2.49Å; K98-I100 PolarHBondContact O-N 3.04Å |
| 101 | R | 98.1 | Very high | 97 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 28% | 0.275 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 160 | -176 | -164.8 | 172.7 | -65.8 | -75 | 2.3 | 112.2 | Y91 F103 L136 R137 P139 | Y91-R101 HydrophobicContact CD1-CB 4.15Å; Y91-R101 PolarHBondContact N-O 3.37Å; Y91-R101 PolarHBondContact O-N 3.47Å; R101-F103 HydrophobicContact CB-CZ 4.29Å; R101-F103 HydrophobicContact CG-CE1 4.14Å; R101-F103 HydrophobicContact CG-CZ 4.18Å; R101-L136 WeakPolarHBondContact CD-O 3.22Å; R101-L136 PolarHBondContact NE-O 2.93Å; R101-R137 PolarHBondContact NH2-O 3.22Å; R101-R137 VanDerWaalsContact NH2-O 3.16Å; R101-P139 HydrophobicContact CG-CB 4.33Å; R101-P139 VanDerWaalsContact NH1-CD 3.34Å |
| 102 | Y | 98.3 | Very high | 96.9 | Very high | 109 Ų | 109 | 60.6 Ų | 60.6 | 43% | 0.427 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145 | 172.2 | -46.4 | -79.4 | 0 | 0 | 0 | 109.3 | R90 Y99 P104 | R90-Y102 HydrophobicContact CG-CD1 4.22Å; Y99-Y102 VanDerWaalsContact CB-OH 3.3Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.33Å; Y99-Y102 HydrophobicContact CD1-CE1 4.03Å; Y99-Y102 HydrophobicContact CD2-CE1 4.19Å; Y99-Y102 AromaticContact CG-CE1 3.69Å; Y99-Y102 HydrophobicContact CG-CE1 3.69Å; Y99-Y102 AromaticContact CG-CZ 4Å; Y102-P104 WeakPolarHBondContact O-CD 3.41Å |
| 103 | F | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 79.6 | 177.7 | -52.2 | -78.9 | 0 | 0 | 0 | 109 | V79 I89 R101 F122 W134 L136 S138 | V79-F103 HydrophobicContact CG1-CE2 4.23Å; I89-F103 HydrophobicContact CB-CB 4.15Å; I89-F103 HydrophobicContact CB-CD2 4.21Å; I89-F103 HydrophobicContact CG2-CD2 4Å; I89-F103 PolarHBondContact N-O 3.37Å; I89-F103 WeakPolarHBondContact O-CD2 3.14Å; I89-F103 PolarHBondContact O-N 3.23Å; R101-F103 HydrophobicContact CB-CZ 4.29Å; R101-F103 HydrophobicContact CG-CE1 4.14Å; R101-F103 HydrophobicContact CG-CZ 4.18Å; F103-F122 HydrophobicContact CB-CZ 4.45Å; F103-F122 HydrophobicContact CD1-CE1 4.33Å; F103-F122 HydrophobicContact CD1-CZ 4.16Å; F103-F122 HydrophobicContact CD2-CE1 4.05Å; F103-F122 AromaticContact CD2-CZ 3.57Å; F103-F122 HydrophobicContact CD2-CZ 3.57Å; F103-F122 HydrophobicContact CE1-CE1 4.01Å; F103-F122 HydrophobicContact CE1-CZ 4.28Å; F103-F122 AromaticContact CE2-CE1 3.67Å; F103-F122 HydrophobicContact CE2-CE1 3.67Å; F103-F122 AromaticContact CE2-CZ 3.68Å; F103-F122 HydrophobicContact CE2-CZ 3.68Å; F103-F122 HydrophobicContact CG-CE1 4.36Å; F103-F122 AromaticContact CG-CZ 3.82Å; F103-F122 HydrophobicContact CG-CZ 3.82Å; F103-F122 AromaticContact CZ-CE1 3.69Å; F103-F122 HydrophobicContact CZ-CE1 3.69Å; F103-F122 HydrophobicContact CZ-CZ 4.08Å; F103-W134 HydrophobicContact CB-CD2 4.06Å; F103-W134 HydrophobicContact CB-CE3 3.73Å; F103-W134 HydrophobicContact CB-CH2 3.99Å; F103-W134 HydrophobicContact CB-CZ2 4.3Å; F103-W134 HydrophobicContact CB-CZ3 3.7Å; F103-W134 HydrophobicContact CD1-CB 4.5Å; F103-W134 HydrophobicContact CD1-CD2 4.34Å; F103-W134 AromaticContact CD1-CE3 3.8Å; F103-W134 HydrophobicContact CD1-CE3 3.8Å; F103-W134 HydrophobicContact CD1-CZ3 4.39Å; F103-W134 HydrophobicContact CG-CD2 4.43Å; F103-W134 HydrophobicContact CG-CE3 4.13Å; F103-L136 HydrophobicContact CE2-CD2 4.21Å; F103-L136 HydrophobicContact CZ-CD2 3.85Å; F103-S138 WeakPolarHBondContact CE1-O 3.1Å |
| 104 | P | 98 | Very high | 96.9 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 49% | 0.494 | 29% | 0.294 | S | S | . | . | trans | -76.4 | 151.6 | 179.5 | 32.7 | -35.2 | 0 | 0 | 0 | 111 | Y102 W134 | Y102-P104 WeakPolarHBondContact O-CD 3.41Å; P104-W134 WeakPolarHBondContact O-CH2 3.17Å | ||
| 105 | G | 96.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | trans | 141.4 | -20.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115 | N107 R132 | G105-N107 PolarHBondContact O-OD1 3.19Å; G105-R132 VanDerWaalsContact C-CZ 3.43Å; G105-R132 VanDerWaalsContact O-CZ 3.25Å; G105-R132 PolarHBondContact O-NH2 2.91Å | ||
| 106 | H | 98.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | trans | -66.7 | 136.8 | 164.5 | -80.8 | -52.8 | 0 | 0 | 0 | 110 | D87 V110 S124 S126 D128 T130 | D87-H106 HydrophobicContact CB-CB 4.14Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; H106-S124 PolarHBondContact CD2-OG 3.41Å; H106-S124 PolarHBondContact NE2-OG 2.91Å; H106-S126 WeakPolarHBondContact CE1-CB 3.47Å; H106-S126 WeakPolarHBondContact ND1-CB 3.44Å; H106-D128 VanDerWaalsContact CA-OD2 3.24Å; H106-D128 WeakPolarHBondContact CA-OD2 3.41Å; H106-D128 IonicContact CE1-OD1 2.67Å; H106-D128 IonicContact CE1-OD2 3.62Å; H106-D128 IonicContact CG-OD2 2.82Å; H106-D128 IonicContact ND1-OD1 3.06Å; H106-D128 PolarHBondContact ND1-OD1 2.81Å; H106-D128 IonicContact ND1-OD2 3.62Å; H106-D128 PolarHBondContact ND1-OD2 3.35Å; H106-T130 PolarHBondContact CE1-OG1 2.66Å; H106-T130 PolarHBondContact ND1-OG1 2.89Å | ||
| 107 | N | 97.3 | Very high | 97.4 | Very high | 130 Ų | 130 | 55 Ų | 55 | 70% | 0.695 | 27% | 0.271 | S | S | * | . | trans | -110 | 2.1 | -176.5 | -65.1 | -25.9 | 0 | 0 | 0 | 112.9 | D87 G105 D128 | D87-N107 VanDerWaalsContact OD2-C 3.29Å; G105-N107 PolarHBondContact O-OD1 3.19Å; N107-D128 HydrophobicContact CB-CB 4.36Å; N107-D128 PolarHBondContact N-OD2 2.96Å | ||
| 108 | K | 98.1 | Very high | 97.4 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -150 | 169.5 | 172.8 | -59.2 | -172.4 | 177 | 179.4 | 0 | 109.3 | D87 V110 S126 L127 D128 | D87-K108 WeakPolarHBondContact CB-O 3.46Å; D87-K108 VanDerWaalsContact CG-O 3.29Å; D87-K108 WeakPolarHBondContact OD2-CA 3.45Å; D87-K108 PolarHBondContact OD2-N 2.66Å; D87-K108 VanDerWaalsContact OD2-N 3.08Å; K108-V110 PolarHBondContact O-N 3.18Å; K108-S126 PolarHBondContact O-OG 2.89Å; K108-L127 HydrophobicContact CB-CB 3.81Å; K108-L127 HydrophobicContact CD-CB 4.17Å; K108-L127 WeakPolarHBondContact CD-O 3.47Å; K108-D128 HydrophobicContact CB-CB 4.06Å; K108-D128 HydrophobicContact CG-CB 4.1Å |
| 109 | R | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 45% | 0.453 | 27% | 0.27 | S | S | . | . | trans | -45.5 | 128.1 | -177.5 | -160.7 | 178.3 | 96.8 | -169.7 | 7.3 | 112.8 | D67 D87 S126 L127 | D67-R109 IonicContact OD2-NE 3.26Å; D87-R109 WeakPolarHBondContact OD1-CA 3.49Å; D87-R109 PolarHBondContact OD1-N 3.28Å; R109-S126 WeakPolarHBondContact O-CA 3.12Å; R109-S126 PolarHBondContact O-OG 3.01Å; R109-L127 HydrophobicContact CB-CD1 4Å; R109-L127 HydrophobicContact CB-CG 4.4Å; R109-L127 PolarHBondContact O-N 2.95Å | ||
| 110 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.6 | 169.4 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | L68 I89 H106 K108 S112 G125 | L68-V110 HydrophobicContact CD1-CG1 4.12Å; I89-V110 HydrophobicContact CD1-CG1 4.36Å; I89-V110 HydrophobicContact CD1-CG2 4.23Å; I89-V110 HydrophobicContact CG1-CG2 4.08Å; H106-V110 HydrophobicContact CB-CG2 4.28Å; K108-V110 PolarHBondContact O-N 3.18Å; V110-S112 WeakPolarHBondContact CG1-O 3.37Å; V110-G125 CarbonylContact C-O 3.59Å; V110-G125 WeakPolarHBondContact CA-O 3.1Å; V110-G125 WeakPolarHBondContact CG1-O 3.49Å |
| 111 | T | 96 | Very high | 97.2 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -9.4 | -176.6 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | G125 L127 P151 | T111-G125 PolarHBondContact N-O 3.01Å; T111-G125 PolarHBondContact OG1-O 3.07Å; T111-L127 HydrophobicContact CG2-CD1 4.42Å; T111-L127 HydrophobicContact CG2-CD2 3.72Å; T111-L127 HydrophobicContact CG2-CG 3.68Å; T111-P151 PolarHBondContact OG1-O 3.44Å |
| 112 | S | 96.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.3 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V110 S124 G125 C153 | V110-S112 WeakPolarHBondContact CG1-O 3.37Å; S112-S124 CarbonylContact O-C 3.57Å; S112-S124 WeakPolarHBondContact O-CA 3.27Å; S112-G125 PolarHBondContact N-O 2.81Å; S112-G125 VanDerWaalsContact N-O 3.15Å; S112-G125 PolarHBondContact O-N 3.23Å; S112-C153 PolarHBondContact OG-N 3.49Å; S112-C153 VanDerWaalsContact OG-N 3.08Å; S112-C153 PolarHBondContact OG-O 3.28Å; S112-C153 PolarHBondContact OG-SG 3.42Å; S112-C153 VanDerWaalsContact OG-SG 3.32Å |
| 113 | L | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 121 | 179.7 | -171 | 67.2 | 0 | 0 | 0 | 108.4 | L68 R70 V79 I89 F122 I123 | L68-L113 HydrophobicContact CB-CB 3.97Å; L68-L113 HydrophobicContact CB-CD2 4.05Å; L68-L113 HydrophobicContact CD1-CB 3.81Å; R70-L113 HydrophobicContact CG-CD2 4.16Å; R70-L113 HydrophobicContact CG-CG 4.14Å; R70-L113 PolarHBondContact NE-O 3.03Å; V79-L113 HydrophobicContact CG2-CD2 4.21Å; I89-L113 HydrophobicContact CD1-CD1 3.99Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; L113-F122 HydrophobicContact CD1-CD2 3.74Å; L113-F122 HydrophobicContact CD1-CE2 3.95Å; L113-I123 WeakPolarHBondContact CA-O 3.19Å |
| 114 | S | 97.7 | Very high | 97.2 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 119.8 | -177.9 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | F122 I123 | S114-F122 CarbonylContact O-C 3.58Å; S114-F122 WeakPolarHBondContact O-CA 3.33Å; S114-F122 WeakPolarHBondContact O-CB 3.49Å; S114-I123 PolarHBondContact N-O 2.62Å; S114-I123 PolarHBondContact O-N 2.86Å |
| 115 | M | 98 | Very high | 97.3 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147.7 | 166.5 | -71.2 | -60.2 | -52.3 | 0 | 0 | 109.9 | R70 Y71 T72 V79 T121 F122 L136 F155 | R70-M115 HydrophobicContact CB-CG 3.86Å; Y71-M115 VanDerWaalsContact O-CG 3.26Å; Y71-M115 WeakPolarHBondContact O-CG 3.32Å; T72-M115 HydrophobicContact CG2-CE 4.42Å; T72-M115 HydrophobicContact CG2-SD 4.46Å; V79-M115 HydrophobicContact CG2-CG 4.4Å; V79-M115 HydrophobicContact CG2-SD 3.61Å; M115-T121 WeakPolarHBondContact CE-O 3.23Å; M115-F122 HydrophobicContact CE-CB 4.14Å; M115-F122 HydrophobicContact SD-CB 3.48Å; M115-F122 WeakPolarHBondContact SD-CB 3.5Å; M115-F122 HydrophobicContact SD-CD1 4.27Å; M115-F122 HydrophobicContact SD-CG 4.07Å; M115-L136 HydrophobicContact CE-CD1 3.97Å; M115-L136 HydrophobicContact CE-CG 4.48Å; M115-F155 WeakPolarHBondContact O-CD2 3.46Å |
| 116 | S | 97.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | trans | -62.2 | 143 | 163.9 | 168.5 | 0 | 0 | 0 | 0 | 109.1 | H73 V118 D119 T121 | H73-S116 PolarHBondContact CE1-O 2.91Å; H73-S116 PolarHBondContact NE2-O 2.83Å; S116-V118 VanDerWaalsContact C-N 3.27Å; S116-V118 PolarHBondContact OG-N 2.88Å; S116-D119 WeakPolarHBondContact CB-O 3.44Å; S116-D119 WeakPolarHBondContact CB-OD1 2.8Å; S116-D119 PolarHBondContact OG-N 3.24Å; S116-D119 PolarHBondContact OG-OD1 2.9Å; S116-T121 VanDerWaalsContact CB-O 3.23Å; S116-T121 WeakPolarHBondContact CB-O 3.22Å; S116-T121 VanDerWaalsContact CB-OG1 3.3Å; S116-T121 WeakPolarHBondContact CB-OG1 3.39Å; S116-T121 PolarHBondContact N-O 3.07Å | ||
| 117 | P | 95.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 39 Ų | 39 | 40% | 0.403 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -79.4 | -11.3 | 174.1 | 28.8 | -30 | 0 | 0 | 0 | 113 | H73 D156 P157 | H73-P117 PolarHBondContact CE1-O 3.33Å; P117-D156 WeakPolarHBondContact CG-O 3.41Å; P117-P157 WeakPolarHBondContact CB-O 3.47Å; P117-P157 WeakPolarHBondContact CG-O 3.34Å |
| 118 | V | 94.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 34.2 Ų | 34.2 | 60% | 0.6 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -112.4 | -33.4 | -170.3 | -177.5 | 0 | 0 | 0 | 0 | 113.3 | S116 E158 | S116-V118 VanDerWaalsContact C-N 3.27Å; S116-V118 PolarHBondContact OG-N 2.88Å; V118-E158 WeakPolarHBondContact CG2-O 2.68Å |
| 119 | D | 94.2 | Very high | 97.2 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -145.7 | 172.2 | -172.4 | 67.9 | 4 | 0 | 0 | 0 | 113.5 | H73 S116 T121 | H73-D119 VanDerWaalsContact CD2-C 3.46Å; H73-D119 PolarHBondContact CD2-O 3.41Å; H73-D119 VanDerWaalsContact CD2-O 3.29Å; H73-D119 VanDerWaalsContact NE2-C 3.35Å; H73-D119 PolarHBondContact NE2-N 3.48Å; H73-D119 PolarHBondContact NE2-O 3.12Å; S116-D119 WeakPolarHBondContact CB-O 3.44Å; S116-D119 WeakPolarHBondContact CB-OD1 2.8Å; S116-D119 PolarHBondContact OG-N 3.24Å; S116-D119 PolarHBondContact OG-OD1 2.9Å; D119-T121 PolarHBondContact O-N 3.43Å; D119-T121 WeakPolarHBondContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T121 PolarHBondContact OD1-N 3.06Å; D119-T121 PolarHBondContact OD1-OG1 3.16Å |
| 120 | D | 96.4 | Very high | 97.2 | Very high | 61 Ų | 61 | 27.9 Ų | 27.9 | 33% | 0.326 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -72.9 | 31 | -177.7 | -72.8 | -27.6 | 0 | 0 | 0 | 113.8 | H73 L136 | H73-D120 IonicContact CD2-OD1 3.18Å; H73-D120 PolarHBondContact CD2-OD1 3.27Å; D120-L136 HydrophobicContact CB-CB 4.18Å; D120-L136 HydrophobicContact CB-CD1 3.97Å; D120-L136 HydrophobicContact CB-CG 4.3Å; D120-L136 VanDerWaalsContact O-CG 3.3Å; D120-L136 WeakPolarHBondContact O-CG 3.48Å; D120-L136 PolarHBondContact O-N 3.38Å |
| 121 | T | 97.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 158.2 | 171.8 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | M115 S116 D119 W134 D135 | M115-T121 WeakPolarHBondContact CE-O 3.23Å; S116-T121 VanDerWaalsContact CB-O 3.23Å; S116-T121 WeakPolarHBondContact CB-O 3.22Å; S116-T121 VanDerWaalsContact CB-OG1 3.3Å; S116-T121 WeakPolarHBondContact CB-OG1 3.39Å; S116-T121 PolarHBondContact N-O 3.07Å; D119-T121 PolarHBondContact O-N 3.43Å; D119-T121 WeakPolarHBondContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CG2 3.43Å; D119-T121 PolarHBondContact OD1-N 3.06Å; D119-T121 PolarHBondContact OD1-OG1 3.16Å; T121-W134 CarbonylContact C-O 3.59Å; T121-W134 WeakPolarHBondContact CA-O 3.47Å; T121-W134 VanDerWaalsContact CB-O 3.26Å; T121-W134 WeakPolarHBondContact CB-O 3.3Å; T121-D135 HydrophobicContact CG2-CB 4.47Å |
| 122 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160.1 | 174.4 | 71.1 | -87.1 | 0 | 0 | 0 | 111.6 | V79 I89 F103 L113 S114 M115 W134 L136 | V79-F122 HydrophobicContact CG1-CE1 4.38Å; I89-F122 HydrophobicContact CD1-CE2 3.98Å; I89-F122 HydrophobicContact CG2-CE2 3.97Å; I89-F122 HydrophobicContact CG2-CZ 4.06Å; F103-F122 HydrophobicContact CB-CZ 4.45Å; F103-F122 HydrophobicContact CD1-CE1 4.33Å; F103-F122 HydrophobicContact CD1-CZ 4.16Å; F103-F122 HydrophobicContact CD2-CE1 4.05Å; F103-F122 AromaticContact CD2-CZ 3.57Å; F103-F122 HydrophobicContact CD2-CZ 3.57Å; F103-F122 HydrophobicContact CE1-CE1 4.01Å; F103-F122 HydrophobicContact CE1-CZ 4.28Å; F103-F122 AromaticContact CE2-CE1 3.67Å; F103-F122 HydrophobicContact CE2-CE1 3.67Å; F103-F122 AromaticContact CE2-CZ 3.68Å; F103-F122 HydrophobicContact CE2-CZ 3.68Å; F103-F122 HydrophobicContact CG-CE1 4.36Å; F103-F122 AromaticContact CG-CZ 3.82Å; F103-F122 HydrophobicContact CG-CZ 3.82Å; F103-F122 AromaticContact CZ-CE1 3.69Å; F103-F122 HydrophobicContact CZ-CE1 3.69Å; F103-F122 HydrophobicContact CZ-CZ 4.08Å; L113-F122 HydrophobicContact CD1-CD2 3.74Å; L113-F122 HydrophobicContact CD1-CE2 3.95Å; S114-F122 CarbonylContact O-C 3.58Å; S114-F122 WeakPolarHBondContact O-CA 3.33Å; S114-F122 WeakPolarHBondContact O-CB 3.49Å; M115-F122 HydrophobicContact CE-CB 4.14Å; M115-F122 HydrophobicContact SD-CB 3.48Å; M115-F122 WeakPolarHBondContact SD-CB 3.5Å; M115-F122 HydrophobicContact SD-CD1 4.27Å; M115-F122 HydrophobicContact SD-CG 4.07Å; F122-W134 HydrophobicContact CD1-CB 3.67Å; F122-W134 HydrophobicContact CD2-CB 4.08Å; F122-W134 AromaticContact CD2-CD1 3.65Å; F122-W134 HydrophobicContact CD2-CG 4.16Å; F122-W134 HydrophobicContact CE1-CB 3.25Å; F122-W134 AromaticContact CE1-CG 3.96Å; F122-W134 HydrophobicContact CE1-CG 3.96Å; F122-W134 HydrophobicContact CE2-CB 3.7Å; F122-W134 AromaticContact CE2-CD1 3.17Å; F122-W134 HydrophobicContact CE2-CD2 4.43Å; F122-W134 AromaticContact CE2-CG 3.52Å; F122-W134 HydrophobicContact CE2-CG 3.52Å; F122-W134 AromaticContact CE2-NE1 3.86Å; F122-W134 HydrophobicContact CG-CB 4.06Å; F122-W134 HydrophobicContact CZ-CB 3.27Å; F122-W134 AromaticContact CZ-CD1 3.6Å; F122-W134 HydrophobicContact CZ-CD2 4.19Å; F122-W134 AromaticContact CZ-CG 3.4Å; F122-W134 HydrophobicContact CZ-CG 3.4Å; F122-W134 VanDerWaalsContact CZ-CG 3.4Å; F122-W134 PolarHBondContact N-O 2.68Å; F122-W134 PolarHBondContact O-N 2.79Å; F122-L136 HydrophobicContact CD1-CD2 3.94Å; F122-L136 HydrophobicContact CD1-CG 4.44Å; F122-L136 HydrophobicContact CE1-CD2 3.84Å |
| 123 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.2 | 175.6 | 62.6 | 179.9 | 0 | 0 | 0 | 111.2 | L113 S114 R132 L133 C153 F155 F162 | L113-I123 WeakPolarHBondContact CA-O 3.19Å; S114-I123 PolarHBondContact N-O 2.62Å; S114-I123 PolarHBondContact O-N 2.86Å; I123-R132 WeakPolarHBondContact CA-O 3.33Å; I123-L133 HydrophobicContact CB-CD2 4.27Å; I123-L133 HydrophobicContact CG2-CD2 3.21Å; I123-C153 HydrophobicContact CD1-CB 3.88Å; I123-F155 HydrophobicContact CB-CE2 4.24Å; I123-F155 HydrophobicContact CD1-CD2 4.1Å; I123-F155 HydrophobicContact CD1-CE2 4.28Å; I123-F155 HydrophobicContact CD1-CG 4.44Å; I123-F155 HydrophobicContact CG1-CD2 4.05Å; I123-F155 HydrophobicContact CG1-CE2 3.93Å; I123-F155 HydrophobicContact CG2-CD2 4.42Å; I123-F155 HydrophobicContact CG2-CE1 4.25Å; I123-F155 HydrophobicContact CG2-CE2 3.6Å; I123-F155 HydrophobicContact CG2-CZ 3.51Å; I123-F162 HydrophobicContact CD1-CB 3.95Å; I123-F162 HydrophobicContact CD1-CG 4.43Å |
| 124 | S | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.4 | 171.5 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | I89 H106 S112 I131 R132 W134 | I89-S124 VanDerWaalsContact CD1-CB 3.43Å; I89-S124 WeakPolarHBondContact CD1-OG 3.48Å; H106-S124 PolarHBondContact CD2-OG 3.41Å; H106-S124 PolarHBondContact NE2-OG 2.91Å; S112-S124 CarbonylContact O-C 3.57Å; S112-S124 WeakPolarHBondContact O-CA 3.27Å; S124-I131 CarbonylContact O-C 3.53Å; S124-I131 VanDerWaalsContact O-CA 3.24Å; S124-I131 WeakPolarHBondContact O-CA 3.4Å; S124-R132 PolarHBondContact N-O 3.1Å; S124-R132 PolarHBondContact O-N 2.79Å; S124-W134 PolarHBondContact OG-NE1 2.78Å |
| 125 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V110 T111 S112 T130 | V110-G125 CarbonylContact C-O 3.59Å; V110-G125 WeakPolarHBondContact CA-O 3.1Å; V110-G125 WeakPolarHBondContact CG1-O 3.49Å; T111-G125 PolarHBondContact N-O 3.01Å; T111-G125 PolarHBondContact OG1-O 3.07Å; S112-G125 PolarHBondContact N-O 2.81Å; S112-G125 VanDerWaalsContact N-O 3.15Å; S112-G125 PolarHBondContact O-N 3.23Å; G125-T130 WeakPolarHBondContact CA-O 3.29Å |
| 126 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 156.8 | -176.7 | 165.3 | 0 | 0 | 0 | 0 | 113.5 | H106 K108 R109 D128 K129 T130 P151 | H106-S126 WeakPolarHBondContact CE1-CB 3.47Å; H106-S126 WeakPolarHBondContact ND1-CB 3.44Å; K108-S126 PolarHBondContact O-OG 2.89Å; R109-S126 WeakPolarHBondContact O-CA 3.12Å; R109-S126 PolarHBondContact O-OG 3.01Å; S126-D128 VanDerWaalsContact CB-OD1 3.26Å; S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.41Å; S126-D128 VanDerWaalsContact O-N 3.1Å; S126-D128 PolarHBondContact OG-N 3.03Å; S126-D128 PolarHBondContact OG-OD1 3.45Å; S126-D128 PolarHBondContact OG-OD2 3.19Å; S126-K129 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact N-O 3.14Å; S126-P151 WeakPolarHBondContact O-CD 3.34Å; S126-P151 WeakPolarHBondContact O-CG 3.38Å |
| 127 | L | 96.9 | Very high | 97.4 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.346 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12 | 168.4 | -64.8 | -175.9 | 0 | 0 | 0 | 113.8 | K108 R109 T111 K129 K150 | K108-L127 HydrophobicContact CB-CB 3.81Å; K108-L127 HydrophobicContact CD-CB 4.17Å; K108-L127 WeakPolarHBondContact CD-O 3.47Å; R109-L127 HydrophobicContact CB-CD1 4Å; R109-L127 HydrophobicContact CB-CG 4.4Å; R109-L127 PolarHBondContact O-N 2.95Å; T111-L127 HydrophobicContact CG2-CD1 4.42Å; T111-L127 HydrophobicContact CG2-CD2 3.72Å; T111-L127 HydrophobicContact CG2-CG 3.68Å; L127-K129 PolarHBondContact O-N 2.93Å; L127-K150 HydrophobicContact CD2-CB 4.41Å; L127-K150 HydrophobicContact CD2-CD 3.92Å; L127-K150 HydrophobicContact CD2-CG 3.85Å |
| 128 | D | 97.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 3.4 | 170.2 | 70.6 | 12.7 | 0 | 0 | 0 | 113.1 | H106 N107 K108 S126 T130 | H106-D128 VanDerWaalsContact CA-OD2 3.24Å; H106-D128 WeakPolarHBondContact CA-OD2 3.41Å; H106-D128 IonicContact CE1-OD1 2.67Å; H106-D128 IonicContact CE1-OD2 3.62Å; H106-D128 IonicContact CG-OD2 2.82Å; H106-D128 IonicContact ND1-OD1 3.06Å; H106-D128 PolarHBondContact ND1-OD1 2.81Å; H106-D128 IonicContact ND1-OD2 3.62Å; H106-D128 PolarHBondContact ND1-OD2 3.35Å; N107-D128 HydrophobicContact CB-CB 4.36Å; N107-D128 PolarHBondContact N-OD2 2.96Å; K108-D128 HydrophobicContact CB-CB 4.06Å; K108-D128 HydrophobicContact CG-CB 4.1Å; S126-D128 VanDerWaalsContact CB-OD1 3.26Å; S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.41Å; S126-D128 VanDerWaalsContact O-N 3.1Å; S126-D128 PolarHBondContact OG-N 3.03Å; S126-D128 PolarHBondContact OG-OD1 3.45Å; S126-D128 PolarHBondContact OG-OD2 3.19Å; D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 VanDerWaalsContact CG-OG1 3.29Å; D128-T130 WeakPolarHBondContact OD1-CA 3.2Å; D128-T130 VanDerWaalsContact OD1-CB 3.29Å; D128-T130 WeakPolarHBondContact OD1-CB 3.16Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.5Å; D128-T130 PolarHBondContact OD1-N 2.96Å; D128-T130 PolarHBondContact OD1-OG1 3.19Å; D128-T130 PolarHBondContact OD2-OG1 2.84Å |
| 129 | K | 96.8 | Very high | 97.5 | Very high | 99 Ų | 99 | 31.5 Ų | 31.5 | 43% | 0.43 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 30.3 | -179.3 | -46.3 | -176 | 173.2 | -164.6 | 0 | 112.9 | S126 L127 L147 Q148 | S126-K129 PolarHBondContact O-N 3.21Å; L127-K129 PolarHBondContact O-N 2.93Å; K129-L147 WeakPolarHBondContact CB-O 3.45Å; K129-L147 WeakPolarHBondContact O-CB 3.38Å; K129-L147 PolarHBondContact O-N 3.41Å; K129-Q148 PolarHBondContact NZ-O 3.43Å |
| 130 | T | 97.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.2 | 174.1 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | H106 G125 S126 D128 L144 M145 | H106-T130 PolarHBondContact CE1-OG1 2.66Å; H106-T130 PolarHBondContact ND1-OG1 2.89Å; G125-T130 WeakPolarHBondContact CA-O 3.29Å; S126-T130 PolarHBondContact N-O 3.14Å; D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 VanDerWaalsContact CG-OG1 3.29Å; D128-T130 WeakPolarHBondContact OD1-CA 3.2Å; D128-T130 VanDerWaalsContact OD1-CB 3.29Å; D128-T130 WeakPolarHBondContact OD1-CB 3.16Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.5Å; D128-T130 PolarHBondContact OD1-N 2.96Å; D128-T130 PolarHBondContact OD1-OG1 3.19Å; D128-T130 PolarHBondContact OD2-OG1 2.84Å; T130-L144 HydrophobicContact CG2-CD1 3.93Å; T130-M145 WeakPolarHBondContact CA-O 3.39Å; T130-M145 WeakPolarHBondContact CB-O 3.16Å |
| 131 | I | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.2 | 155.7 | -71 | 169.8 | 0 | 0 | 0 | 107.2 | S124 M145 L147 P151 C153 A164 | S124-I131 CarbonylContact O-C 3.53Å; S124-I131 VanDerWaalsContact O-CA 3.24Å; S124-I131 WeakPolarHBondContact O-CA 3.4Å; I131-M145 HydrophobicContact CB-CB 4.32Å; I131-M145 HydrophobicContact CB-SD 4.36Å; I131-M145 HydrophobicContact CG2-SD 4.26Å; I131-M145 PolarHBondContact N-O 3.43Å; I131-M145 VanDerWaalsContact N-O 3.07Å; I131-M145 PolarHBondContact O-N 3.1Å; I131-L147 HydrophobicContact CB-CD1 4.4Å; I131-L147 HydrophobicContact CD1-CD1 3.68Å; I131-L147 HydrophobicContact CG1-CD1 3.7Å; I131-P151 HydrophobicContact CD1-CB 3.93Å; I131-P151 HydrophobicContact CG1-CB 3.74Å; I131-P151 HydrophobicContact CG1-CG 4.14Å; I131-C153 HydrophobicContact CD1-CB 3.79Å; I131-C153 HydrophobicContact CG1-CB 4.36Å; I131-A164 HydrophobicContact CD1-CB 3.4Å |
| 132 | R | 98.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.7 | 178.3 | -69 | -178.1 | 175.4 | -118.4 | -1.3 | 110.4 | G105 I123 S124 W134 G143 L144 | G105-R132 VanDerWaalsContact C-CZ 3.43Å; G105-R132 VanDerWaalsContact O-CZ 3.25Å; G105-R132 PolarHBondContact O-NH2 2.91Å; I123-R132 WeakPolarHBondContact CA-O 3.33Å; S124-R132 PolarHBondContact N-O 3.1Å; S124-R132 PolarHBondContact O-N 2.79Å; R132-W134 HydrophobicContact CB-CZ2 3.74Å; R132-W134 HydrophobicContact CG-CZ2 4.17Å; R132-G143 CarbonylContact C-O 3.55Å; R132-G143 WeakPolarHBondContact CA-O 3.33Å; R132-L144 HydrophobicContact CG-CD1 3.69Å |
| 133 | L | 98.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.7 | 171.8 | -47.7 | -178.1 | 0 | 0 | 0 | 108.6 | I123 Q142 G143 F162 L176 F179 | I123-L133 HydrophobicContact CB-CD2 4.27Å; I123-L133 HydrophobicContact CG2-CD2 3.21Å; L133-Q142 PolarHBondContact O-N 3.24Å; L133-G143 PolarHBondContact N-O 2.81Å; L133-G143 PolarHBondContact O-N 2.83Å; L133-F162 HydrophobicContact CD2-CE1 4.3Å; L133-L176 HydrophobicContact CD1-CD1 4.03Å; L133-L176 HydrophobicContact CD2-CD1 4.36Å; L133-F179 HydrophobicContact CD1-CD1 3.56Å; L133-F179 HydrophobicContact CD1-CD2 4.35Å; L133-F179 HydrophobicContact CD1-CE1 3.56Å; L133-F179 HydrophobicContact CD1-CE2 4.36Å; L133-F179 HydrophobicContact CD1-CG 3.99Å; L133-F179 HydrophobicContact CD1-CZ 3.99Å |
| 134 | W | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 158.3 | -174.6 | -54.4 | 97.6 | 0 | 0 | 0 | 110.9 | F103 P104 T121 F122 S124 R132 C141 | F103-W134 HydrophobicContact CB-CD2 4.06Å; F103-W134 HydrophobicContact CB-CE3 3.73Å; F103-W134 HydrophobicContact CB-CH2 3.99Å; F103-W134 HydrophobicContact CB-CZ2 4.3Å; F103-W134 HydrophobicContact CB-CZ3 3.7Å; F103-W134 HydrophobicContact CD1-CB 4.5Å; F103-W134 HydrophobicContact CD1-CD2 4.34Å; F103-W134 AromaticContact CD1-CE3 3.8Å; F103-W134 HydrophobicContact CD1-CE3 3.8Å; F103-W134 HydrophobicContact CD1-CZ3 4.39Å; F103-W134 HydrophobicContact CG-CD2 4.43Å; F103-W134 HydrophobicContact CG-CE3 4.13Å; P104-W134 WeakPolarHBondContact O-CH2 3.17Å; T121-W134 CarbonylContact C-O 3.59Å; T121-W134 WeakPolarHBondContact CA-O 3.47Å; T121-W134 VanDerWaalsContact CB-O 3.26Å; T121-W134 WeakPolarHBondContact CB-O 3.3Å; F122-W134 HydrophobicContact CD1-CB 3.67Å; F122-W134 HydrophobicContact CD2-CB 4.08Å; F122-W134 AromaticContact CD2-CD1 3.65Å; F122-W134 HydrophobicContact CD2-CG 4.16Å; F122-W134 HydrophobicContact CE1-CB 3.25Å; F122-W134 AromaticContact CE1-CG 3.96Å; F122-W134 HydrophobicContact CE1-CG 3.96Å; F122-W134 HydrophobicContact CE2-CB 3.7Å; F122-W134 AromaticContact CE2-CD1 3.17Å; F122-W134 HydrophobicContact CE2-CD2 4.43Å; F122-W134 AromaticContact CE2-CG 3.52Å; F122-W134 HydrophobicContact CE2-CG 3.52Å; F122-W134 AromaticContact CE2-NE1 3.86Å; F122-W134 HydrophobicContact CG-CB 4.06Å; F122-W134 HydrophobicContact CZ-CB 3.27Å; F122-W134 AromaticContact CZ-CD1 3.6Å; F122-W134 HydrophobicContact CZ-CD2 4.19Å; F122-W134 AromaticContact CZ-CG 3.4Å; F122-W134 HydrophobicContact CZ-CG 3.4Å; F122-W134 VanDerWaalsContact CZ-CG 3.4Å; F122-W134 PolarHBondContact N-O 2.68Å; F122-W134 PolarHBondContact O-N 2.79Å; S124-W134 PolarHBondContact OG-NE1 2.78Å; R132-W134 HydrophobicContact CB-CZ2 3.74Å; R132-W134 HydrophobicContact CG-CZ2 4.17Å; W134-C141 HydrophobicContact CE3-CB 4.26Å; W134-C141 HydrophobicContact CH2-CB 4.16Å; W134-C141 HydrophobicContact CZ3-CB 3.82Å |
| 135 | D | 97.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.4 | 174.9 | -179.3 | -28.6 | 0 | 0 | 0 | 107.8 | T121 R137 S138 Q142 | T121-D135 HydrophobicContact CG2-CB 4.47Å; D135-R137 VanDerWaalsContact CG-NE 3.34Å; D135-R137 PolarHBondContact O-N 2.92Å; D135-R137 WeakPolarHBondContact OD1-CB 3.28Å; D135-R137 VanDerWaalsContact OD1-CG 3.32Å; D135-R137 WeakPolarHBondContact OD1-CG 3.38Å; D135-R137 IonicContact OD1-CZ 3.41Å; D135-R137 PolarHBondContact OD1-N 2.92Å; D135-R137 IonicContact OD1-NE 2.79Å; D135-R137 PolarHBondContact OD1-NE 3.03Å; D135-R137 IonicContact OD1-NH2 2.69Å; D135-R137 IonicContact OD2-CZ 2.62Å; D135-R137 VanDerWaalsContact OD2-CZ 3.26Å; D135-R137 IonicContact OD2-NE 3.46Å; D135-R137 PolarHBondContact OD2-NE 3.01Å; D135-R137 IonicContact OD2-NH2 2.66Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å; D135-S138 PolarHBondContact O-N 3.44Å; D135-Q142 HydrophobicContact CB-CG 3.84Å |
| 136 | L | 98.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22 | -178.6 | -63.5 | 176.4 | 0 | 0 | 0 | 113.3 | T72 V79 Y91 R101 F103 M115 D120 F122 S138 | T72-L136 HydrophobicContact CG2-CD1 3.63Å; T72-L136 HydrophobicContact CG2-CD2 4.38Å; V79-L136 HydrophobicContact CG1-CD2 3.49Å; V79-L136 VanDerWaalsContact CG1-CD2 3.49Å; Y91-L136 HydrophobicContact CD1-CD2 4.21Å; Y91-L136 HydrophobicContact CD2-CD2 4.19Å; Y91-L136 HydrophobicContact CE1-CB 4.27Å; Y91-L136 HydrophobicContact CE1-CD2 4.4Å; Y91-L136 HydrophobicContact CE2-CD1 4.45Å; Y91-L136 HydrophobicContact CE2-CD2 4.39Å; Y91-L136 HydrophobicContact CG-CD2 4.14Å; R101-L136 WeakPolarHBondContact CD-O 3.22Å; R101-L136 PolarHBondContact NE-O 2.93Å; F103-L136 HydrophobicContact CE2-CD2 4.21Å; F103-L136 HydrophobicContact CZ-CD2 3.85Å; M115-L136 HydrophobicContact CE-CD1 3.97Å; M115-L136 HydrophobicContact CE-CG 4.48Å; D120-L136 HydrophobicContact CB-CB 4.18Å; D120-L136 HydrophobicContact CB-CD1 3.97Å; D120-L136 HydrophobicContact CB-CG 4.3Å; D120-L136 VanDerWaalsContact O-CG 3.3Å; D120-L136 WeakPolarHBondContact O-CG 3.48Å; D120-L136 PolarHBondContact O-N 3.38Å; F122-L136 HydrophobicContact CD1-CD2 3.94Å; F122-L136 HydrophobicContact CD1-CG 4.44Å; F122-L136 HydrophobicContact CE1-CD2 3.84Å; L136-S138 VanDerWaalsContact C-N 3.34Å |
| 137 | R | 97.1 | Very high | 97 | Very high | 158 Ų | 158 | 49 Ų | 49 | 60% | 0.596 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15 | 179.4 | -55.4 | 166.9 | -67.5 | -161.5 | -0.2 | 112.7 | R101 D135 | R101-R137 PolarHBondContact NH2-O 3.22Å; R101-R137 VanDerWaalsContact NH2-O 3.16Å; D135-R137 VanDerWaalsContact CG-NE 3.34Å; D135-R137 PolarHBondContact O-N 2.92Å; D135-R137 WeakPolarHBondContact OD1-CB 3.28Å; D135-R137 VanDerWaalsContact OD1-CG 3.32Å; D135-R137 WeakPolarHBondContact OD1-CG 3.38Å; D135-R137 IonicContact OD1-CZ 3.41Å; D135-R137 PolarHBondContact OD1-N 2.92Å; D135-R137 IonicContact OD1-NE 2.79Å; D135-R137 PolarHBondContact OD1-NE 3.03Å; D135-R137 IonicContact OD1-NH2 2.69Å; D135-R137 IonicContact OD2-CZ 2.62Å; D135-R137 VanDerWaalsContact OD2-CZ 3.26Å; D135-R137 IonicContact OD2-NE 3.46Å; D135-R137 PolarHBondContact OD2-NE 3.01Å; D135-R137 IonicContact OD2-NH2 2.66Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å |
| 138 | S | 97.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | trans | -130.5 | 136.3 | -174.3 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | F103 D135 L136 N140 Q142 | F103-S138 WeakPolarHBondContact CE1-O 3.1Å; D135-S138 PolarHBondContact O-N 3.44Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 PolarHBondContact OG-N 3.35Å; S138-Q142 PolarHBondContact OG-NE2 3.45Å; S138-Q142 VanDerWaalsContact OG-NE2 3.09Å | ||
| 139 | P | 94.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -77.6 | -14 | 176.2 | 33.7 | -31.9 | 0 | 0 | 0 | 112.6 | R101 | R101-P139 HydrophobicContact CG-CB 4.33Å; R101-P139 VanDerWaalsContact NH1-CD 3.34Å |
| 140 | N | 97.3 | Very high | 95.8 | Very high | 110 Ų | 110 | 50 Ų | 50 | 59% | 0.588 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -86.6 | 146 | -174.2 | -64.7 | -31.4 | 0 | 0 | 0 | 110.9 | S138 Q142 | S138-N140 PolarHBondContact O-N 2.9Å; S138-N140 PolarHBondContact OG-N 3.35Å; N140-Q142 PolarHBondContact O-N 2.84Å; N140-Q142 PolarHBondContact O-NE2 3.21Å |
| 141 | C | 97.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 28% | 0.277 | 25% | 0.245 | S | C | . | . | trans | -61.1 | 123.9 | 169.5 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | W134 G143 | W134-C141 HydrophobicContact CE3-CB 4.26Å; W134-C141 HydrophobicContact CH2-CB 4.16Å; W134-C141 HydrophobicContact CZ3-CB 3.82Å; C141-G143 PolarHBondContact SG-O 3.35Å | ||
| 142 | Q | 97.2 | Very high | 95.6 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -87.7 | -26.2 | -178.6 | -59.5 | -53.5 | -60 | 0 | 0 | 112.1 | L133 D135 S138 N140 | L133-Q142 PolarHBondContact O-N 3.24Å; D135-Q142 HydrophobicContact CB-CG 3.84Å; S138-Q142 PolarHBondContact OG-NE2 3.45Å; S138-Q142 VanDerWaalsContact OG-NE2 3.09Å; N140-Q142 PolarHBondContact O-N 2.84Å; N140-Q142 PolarHBondContact O-NE2 3.21Å |
| 143 | G | 96.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 140.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R132 L133 C141 F179 | R132-G143 CarbonylContact C-O 3.55Å; R132-G143 WeakPolarHBondContact CA-O 3.33Å; L133-G143 PolarHBondContact N-O 2.81Å; L133-G143 PolarHBondContact O-N 2.83Å; C141-G143 PolarHBondContact SG-O 3.35Å; G143-F179 VanDerWaalsContact CA-CZ 3.43Å |
| 144 | L | 97 | Very high | 95.6 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 38% | 0.377 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.2 | -179 | 175.9 | 65.1 | 0 | 0 | 0 | 109.5 | T130 R132 | T130-L144 HydrophobicContact CG2-CD1 3.93Å; R132-L144 HydrophobicContact CG-CD1 3.69Å |
| 145 | M | 96.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.2 | 177.8 | -60 | 172.3 | 73.6 | 0 | 0 | 109.9 | T130 I131 F162 Y174 F179 | T130-M145 WeakPolarHBondContact CA-O 3.39Å; T130-M145 WeakPolarHBondContact CB-O 3.16Å; I131-M145 HydrophobicContact CB-CB 4.32Å; I131-M145 HydrophobicContact CB-SD 4.36Å; I131-M145 HydrophobicContact CG2-SD 4.26Å; I131-M145 PolarHBondContact N-O 3.43Å; I131-M145 VanDerWaalsContact N-O 3.07Å; I131-M145 PolarHBondContact O-N 3.1Å; M145-F162 HydrophobicContact CE-CE2 4.13Å; M145-F162 HydrophobicContact CE-CZ 4.02Å; M145-F162 HydrophobicContact SD-CE2 3.7Å; M145-F162 HydrophobicContact SD-CZ 3.43Å; M145-F162 WeakPolarHBondContact SD-CZ 3.19Å; M145-Y174 HydrophobicContact CE-CD1 3.63Å; M145-Y174 HydrophobicContact CE-CD2 4Å; M145-Y174 HydrophobicContact CE-CE1 3.22Å; M145-Y174 HydrophobicContact CE-CE2 3.63Å; M145-Y174 HydrophobicContact CE-CG 4Å; M145-F179 HydrophobicContact CG-CD2 3.83Å; M145-F179 HydrophobicContact CG-CE2 4.04Å; M145-F179 HydrophobicContact SD-CD2 4.02Å |
| 146 | H | 95.3 | Very high | 95.6 | Very high | 148 Ų | 148 | 48.5 Ų | 48.5 | 69% | 0.685 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130 | 172.9 | -68.5 | -75.8 | 0 | 0 | 0 | 110.7 | ||
| 147 | L | 91.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | trans | -122.1 | 162.7 | -175.4 | -51.7 | 173.8 | 0 | 0 | 0 | 109.9 | K129 I131 P151 I166 | K129-L147 WeakPolarHBondContact CB-O 3.45Å; K129-L147 WeakPolarHBondContact O-CB 3.38Å; K129-L147 PolarHBondContact O-N 3.41Å; I131-L147 HydrophobicContact CB-CD1 4.4Å; I131-L147 HydrophobicContact CD1-CD1 3.68Å; I131-L147 HydrophobicContact CG1-CD1 3.7Å; L147-P151 HydrophobicContact CD1-CB 3.59Å; L147-P151 HydrophobicContact CD1-CG 4.13Å; L147-I166 HydrophobicContact CD1-CG1 4.4Å; L147-I166 HydrophobicContact CD2-CD1 3.8Å; L147-I166 HydrophobicContact CD2-CG1 4.42Å | ||
| 148 | Q | 87.6 | Confident | 95.5 | Very high | 156 Ų | 156 | 48.5 Ų | 48.5 | 73% | 0.729 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -87 | -5 | -177.7 | -65.4 | -60.8 | -32.7 | 0 | 0 | 113.7 | K129 | K129-Q148 PolarHBondContact NZ-O 3.43Š|
| 149 | G | 87.6 | Confident | 95.5 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -173.6 | -153.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P151 N167 | G149-P151 WeakPolarHBondContact O-CD 3.42Å; G149-N167 WeakPolarHBondContact CA-OD1 3.35Å; G149-N167 PolarHBondContact N-OD1 3.31Å |
| 150 | K | 91.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | trans | -62.7 | 122.2 | -167 | 177.4 | -177.8 | 177 | -157.6 | 0 | 111.1 | L127 N167 E196 W197 | L127-K150 HydrophobicContact CD2-CB 4.41Å; L127-K150 HydrophobicContact CD2-CD 3.92Å; L127-K150 HydrophobicContact CD2-CG 3.85Å; K150-N167 PolarHBondContact O-N 2.62Å; K150-E196 IonicContact NZ-OE2 2.68Å; K150-E196 PolarHBondContact NZ-OE2 2.97Å; K150-W197 PolarHBondContact NZ-O 3.32Å | ||
| 151 | P | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.4 | 176.1 | 32.5 | -28.6 | 0 | 0 | 0 | 113.1 | T111 S126 I131 L147 G149 G165 | T111-P151 PolarHBondContact OG1-O 3.44Å; S126-P151 WeakPolarHBondContact O-CD 3.34Å; S126-P151 WeakPolarHBondContact O-CG 3.38Å; I131-P151 HydrophobicContact CD1-CB 3.93Å; I131-P151 HydrophobicContact CG1-CB 3.74Å; I131-P151 HydrophobicContact CG1-CG 4.14Å; L147-P151 HydrophobicContact CD1-CB 3.59Å; L147-P151 HydrophobicContact CD1-CG 4.13Å; G149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-G165 WeakPolarHBondContact CA-O 3.19Å |
| 152 | V | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.9 | 152.7 | -68 | 0 | 0 | 0 | 0 | 107.7 | A164 G165 W197 L200 | V152-A164 CarbonylContact O-C 3.59Å; V152-A164 WeakPolarHBondContact O-CA 3.38Å; V152-G165 PolarHBondContact N-O 3.02Å; V152-G165 PolarHBondContact O-N 2.88Å; V152-W197 HydrophobicContact CG2-CB 4.2Å; V152-W197 HydrophobicContact CG2-CE3 4.13Å; V152-L200 HydrophobicContact CB-CB 4.11Å; V152-L200 HydrophobicContact CG2-CB 3.79Å; V152-L200 HydrophobicContact CG2-CD1 4.32Å |
| 153 | C | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 153.6 | -178.5 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | S112 I123 I131 A163 | S112-C153 PolarHBondContact OG-N 3.49Å; S112-C153 VanDerWaalsContact OG-N 3.08Å; S112-C153 PolarHBondContact OG-O 3.28Å; S112-C153 PolarHBondContact OG-SG 3.42Å; S112-C153 VanDerWaalsContact OG-SG 3.32Å; I123-C153 HydrophobicContact CD1-CB 3.88Å; I131-C153 HydrophobicContact CD1-CB 3.79Å; I131-C153 HydrophobicContact CG1-CB 4.36Å; C153-A163 WeakPolarHBondContact CA-O 3.49Å; C153-A163 WeakPolarHBondContact CB-O 3.46Å |
| 154 | S | 98 | Very high | 95.7 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 147.6 | 174.8 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | F162 A163 L200 | S154-F162 WeakPolarHBondContact O-CA 3.37Å; S154-F162 WeakPolarHBondContact O-CB 3.35Å; S154-A163 PolarHBondContact N-O 3.39Å; S154-A163 VanDerWaalsContact N-O 3.14Å; S154-A163 PolarHBondContact O-N 3.27Å; S154-L200 WeakPolarHBondContact CB-O 3.38Å |
| 155 | F | 98.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 151.9 | 168.8 | -79.3 | -72.7 | 0 | 0 | 0 | 111.4 | M115 I123 I161 F162 L176 F202 | M115-F155 WeakPolarHBondContact O-CD2 3.46Å; I123-F155 HydrophobicContact CB-CE2 4.24Å; I123-F155 HydrophobicContact CD1-CD2 4.1Å; I123-F155 HydrophobicContact CD1-CE2 4.28Å; I123-F155 HydrophobicContact CD1-CG 4.44Å; I123-F155 HydrophobicContact CG1-CD2 4.05Å; I123-F155 HydrophobicContact CG1-CE2 3.93Å; I123-F155 HydrophobicContact CG2-CD2 4.42Å; I123-F155 HydrophobicContact CG2-CE1 4.25Å; I123-F155 HydrophobicContact CG2-CE2 3.6Å; I123-F155 HydrophobicContact CG2-CZ 3.51Å; F155-I161 WeakPolarHBondContact CD1-O 3.34Å; F155-F162 HydrophobicContact CD1-CB 4.12Å; F155-F162 HydrophobicContact CE1-CB 4.5Å; F155-L176 HydrophobicContact CE1-CD1 3.8Å; F155-L176 HydrophobicContact CE1-CD2 3.85Å; F155-L176 HydrophobicContact CE1-CG 4.37Å; F155-L176 HydrophobicContact CZ-CD1 4.27Å; F155-L176 HydrophobicContact CZ-CD2 4.47Å; F155-F202 WeakPolarHBondContact O-CD2 3.43Å |
| 156 | D | 98.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | trans | -72.8 | 164.8 | 161.3 | 82.5 | -59.4 | 0 | 0 | 0 | 111.1 | P117 E158 G159 L160 I161 F202 | P117-D156 WeakPolarHBondContact CG-O 3.41Å; D156-E158 PolarHBondContact O-N 3.04Å; D156-E158 WeakPolarHBondContact OD2-CB 3.29Å; D156-E158 PolarHBondContact OD2-N 2.98Å; D156-G159 PolarHBondContact O-N 3.25Å; D156-G159 WeakPolarHBondContact OD1-CA 3.35Å; D156-G159 PolarHBondContact OD1-N 3.28Å; D156-G159 VanDerWaalsContact OD1-N 3.11Å; D156-L160 PolarHBondContact OD1-N 2.63Å; D156-I161 HydrophobicContact CB-CD1 4.19Å; D156-I161 HydrophobicContact CB-CG1 3.52Å; D156-I161 VanDerWaalsContact CG-CG1 3.47Å; D156-I161 PolarHBondContact N-O 3.09Å; D156-I161 VanDerWaalsContact N-O 3.07Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.37Å; D156-I161 PolarHBondContact OD1-N 2.87Å; D156-F202 HydrophobicContact CB-CD1 4.22Å; D156-F202 HydrophobicContact CB-CD2 4.2Å; D156-F202 HydrophobicContact CB-CE1 4.21Å; D156-F202 HydrophobicContact CB-CE2 4.17Å; D156-F202 HydrophobicContact CB-CG 4.19Å; D156-F202 HydrophobicContact CB-CZ 4.17Å | ||
| 157 | P | 96.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.7 | -177.2 | -23.4 | 35 | 0 | 0 | 0 | 114.7 | P117 F202 S203 N204 | P117-P157 WeakPolarHBondContact CB-O 3.47Å; P117-P157 WeakPolarHBondContact CG-O 3.34Å; P157-F202 HydrophobicContact CG-CB 4.38Å; P157-S203 WeakPolarHBondContact CG-O 3.45Å; P157-N204 WeakPolarHBondContact CB-O 3.27Å; P157-N204 WeakPolarHBondContact CG-O 3.34Å |
| 158 | E | 97.2 | Very high | 95.2 | Very high | 130 Ų | 130 | 30.8 Ų | 30.8 | 61% | 0.607 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.6 | 177.5 | -57.3 | -62.9 | 139.2 | 0 | 0 | 112.5 | V118 D156 L160 | V118-E158 WeakPolarHBondContact CG2-O 2.68Å; D156-E158 PolarHBondContact O-N 3.04Å; D156-E158 WeakPolarHBondContact OD2-CB 3.29Å; D156-E158 PolarHBondContact OD2-N 2.98Å; E158-L160 HydrophobicContact CB-CD1 4.25Å; E158-L160 HydrophobicContact CB-CG 4.09Å; E158-L160 PolarHBondContact O-N 2.87Å; E158-L160 VanDerWaalsContact O-N 3.12Å |
| 159 | G | 96.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 7% | 0.072 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 62.8 | 16.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D156 L176 | D156-G159 PolarHBondContact O-N 3.25Å; D156-G159 WeakPolarHBondContact OD1-CA 3.35Å; D156-G159 PolarHBondContact OD1-N 3.28Å; D156-G159 VanDerWaalsContact OD1-N 3.11Å; G159-L176 WeakPolarHBondContact O-CD2 3.16Å |
| 160 | L | 96.8 | Very high | 95.8 | Very high | 98 Ų | 98 | 28.1 Ų | 28.1 | 51% | 0.513 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -89 | -27.9 | -178.8 | -63.9 | -179.5 | 0 | 0 | 0 | 111.8 | D156 E158 L176 | D156-L160 PolarHBondContact OD1-N 2.63Å; E158-L160 HydrophobicContact CB-CD1 4.25Å; E158-L160 HydrophobicContact CB-CG 4.09Å; E158-L160 PolarHBondContact O-N 2.87Å; E158-L160 VanDerWaalsContact O-N 3.12Å; L160-L176 VanDerWaalsContact O-CB 3.31Å; L160-L176 WeakPolarHBondContact O-CB 3.42Å; L160-L176 PolarHBondContact O-N 3.03Å |
| 161 | I | 97.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 25.6 Ų | 25.6 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164.1 | 179.6 | 72.4 | 167.6 | 0 | 0 | 0 | 110.5 | F155 D156 L173 Y174 F184 F202 | F155-I161 WeakPolarHBondContact CD1-O 3.34Å; D156-I161 HydrophobicContact CB-CD1 4.19Å; D156-I161 HydrophobicContact CB-CG1 3.52Å; D156-I161 VanDerWaalsContact CG-CG1 3.47Å; D156-I161 PolarHBondContact N-O 3.09Å; D156-I161 VanDerWaalsContact N-O 3.07Å; D156-I161 WeakPolarHBondContact OD1-CG1 3.37Å; D156-I161 PolarHBondContact OD1-N 2.87Å; I161-L173 HydrophobicContact CD1-CD1 4.41Å; I161-Y174 CarbonylContact C-O 3.6Å; I161-Y174 WeakPolarHBondContact CA-O 3.11Å; I161-Y174 WeakPolarHBondContact CB-O 3.18Å; I161-F184 HydrophobicContact CB-CE1 4.22Å; I161-F184 HydrophobicContact CB-CZ 4.46Å; I161-F184 HydrophobicContact CD1-CZ 3.98Å; I161-F184 HydrophobicContact CG2-CE1 3.8Å; I161-F184 HydrophobicContact CG2-CZ 4.02Å; I161-F202 HydrophobicContact CD1-CE1 4.39Å; I161-F202 HydrophobicContact CD1-CZ 4.13Å |
| 162 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.4 | 163.6 | 66.4 | -85.9 | 0 | 0 | 0 | 110.5 | I123 L133 M145 S154 F155 Y174 L176 F179 | I123-F162 HydrophobicContact CD1-CB 3.95Å; I123-F162 HydrophobicContact CD1-CG 4.43Å; L133-F162 HydrophobicContact CD2-CE1 4.3Å; M145-F162 HydrophobicContact CE-CE2 4.13Å; M145-F162 HydrophobicContact CE-CZ 4.02Å; M145-F162 HydrophobicContact SD-CE2 3.7Å; M145-F162 HydrophobicContact SD-CZ 3.43Å; M145-F162 WeakPolarHBondContact SD-CZ 3.19Å; S154-F162 WeakPolarHBondContact O-CA 3.37Å; S154-F162 WeakPolarHBondContact O-CB 3.35Å; F155-F162 HydrophobicContact CD1-CB 4.12Å; F155-F162 HydrophobicContact CE1-CB 4.5Å; F162-Y174 HydrophobicContact CD2-CD2 4.24Å; F162-Y174 VanDerWaalsContact CE1-CB 3.49Å; F162-Y174 HydrophobicContact CE1-CG 4.27Å; F162-Y174 AromaticContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CE2 4.33Å; F162-Y174 AromaticContact CE2-CG 3.88Å; F162-Y174 HydrophobicContact CE2-CG 3.88Å; F162-Y174 HydrophobicContact CZ-CD1 4.37Å; F162-Y174 AromaticContact CZ-CD2 3.86Å; F162-Y174 HydrophobicContact CZ-CD2 3.86Å; F162-Y174 AromaticContact CZ-CG 3.63Å; F162-Y174 HydrophobicContact CZ-CG 3.63Å; F162-Y174 PolarHBondContact N-O 2.69Å; F162-Y174 PolarHBondContact O-N 3.29Å; F162-L176 HydrophobicContact CD1-CD1 4.07Å; F162-L176 HydrophobicContact CE1-CD1 4.31Å; F162-F179 HydrophobicContact CE1-CB 3.85Å; F162-F179 HydrophobicContact CZ-CB 4.01Å |
| 163 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | C153 S154 V171 K172 L173 L200 F202 | C153-A163 WeakPolarHBondContact CA-O 3.49Å; C153-A163 WeakPolarHBondContact CB-O 3.46Å; S154-A163 PolarHBondContact N-O 3.39Å; S154-A163 VanDerWaalsContact N-O 3.14Å; S154-A163 PolarHBondContact O-N 3.27Å; A163-V171 HydrophobicContact CB-CG1 4.01Å; A163-K172 CarbonylContact C-O 3.6Å; A163-K172 WeakPolarHBondContact CA-O 3.17Å; A163-L173 HydrophobicContact CB-CD2 3.53Å; A163-L200 HydrophobicContact CB-CD1 3.89Å; A163-L200 HydrophobicContact CB-CD2 3.52Å; A163-L200 HydrophobicContact CB-CG 4.38Å; A163-F202 HydrophobicContact CB-CE2 3.48Å; A163-F202 VanDerWaalsContact CB-CE2 3.48Å; A163-F202 HydrophobicContact CB-CZ 3.68Å |
| 164 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | I131 V152 K172 Y174 | I131-A164 HydrophobicContact CD1-CB 3.4Å; V152-A164 CarbonylContact O-C 3.59Å; V152-A164 WeakPolarHBondContact O-CA 3.38Å; A164-K172 PolarHBondContact N-O 3.15Å; A164-K172 PolarHBondContact O-N 2.8Å; A164-Y174 HydrophobicContact CB-CD2 4.44Å; A164-Y174 HydrophobicContact CB-CE2 3.95Å |
| 165 | G | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P151 V152 M170 | P151-G165 WeakPolarHBondContact CA-O 3.19Å; V152-G165 PolarHBondContact N-O 3.02Å; V152-G165 PolarHBondContact O-N 2.88Å; G165-M170 CarbonylContact C-O 3.52Å; G165-M170 WeakPolarHBondContact CA-O 3.46Å |
| 166 | I | 92.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.5 | -174 | -53.1 | 169.7 | 0 | 0 | 0 | 109.5 | L147 S168 E169 M170 K172 | L147-I166 HydrophobicContact CD1-CG1 4.4Å; L147-I166 HydrophobicContact CD2-CD1 3.8Å; L147-I166 HydrophobicContact CD2-CG1 4.42Å; I166-S168 PolarHBondContact O-N 3.02Å; I166-E169 PolarHBondContact O-N 2.69Å; I166-M170 HydrophobicContact CB-CG 4.19Å; I166-M170 PolarHBondContact N-O 3.46Å; I166-M170 PolarHBondContact O-N 2.74Å; I166-K172 HydrophobicContact CD1-CD 3.69Å; I166-K172 HydrophobicContact CD1-CG 4.28Å |
| 167 | N | 88.1 | Confident | 95.9 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 15.7 | 175.1 | -73.6 | -8 | 0 | 0 | 0 | 115.6 | G149 K150 E169 Y191 | G149-N167 WeakPolarHBondContact CA-OD1 3.35Å; G149-N167 PolarHBondContact N-OD1 3.31Å; K150-N167 PolarHBondContact O-N 2.62Å; N167-E169 HydrophobicContact CB-CG 4.25Å; N167-E169 PolarHBondContact O-N 3.38Å; N167-Y191 WeakPolarHBondContact O-CE2 3.18Å |
| 168 | S | 92.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 24 | -172.4 | -40.2 | 0 | 0 | 0 | 0 | 114.1 | I166 E196 W197 | I166-S168 PolarHBondContact O-N 3.02Å; S168-E196 WeakPolarHBondContact OG-CA 3.02Å; S168-W197 VanDerWaalsContact C-CE2 3.48Å; S168-W197 VanDerWaalsContact CA-CD2 3.49Å; S168-W197 VanDerWaalsContact CA-CE2 3.41Å; S168-W197 WeakPolarHBondContact O-CZ2 3.49Å; S168-W197 PolarHBondContact OG-N 2.94Å |
| 169 | E | 92.4 | Very high | 95.7 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -33.3 | -173.9 | -70.1 | -179.3 | -179.3 | 0 | 0 | 113 | I166 N167 L189 Y191 | I166-E169 PolarHBondContact O-N 2.69Å; N167-E169 HydrophobicContact CB-CG 4.25Å; N167-E169 PolarHBondContact O-N 3.38Å; E169-L189 PolarHBondContact O-N 2.83Å; E169-Y191 HydrophobicContact CG-CD2 3.26Å; E169-Y191 HydrophobicContact CG-CE2 3.94Å; E169-Y191 HydrophobicContact CG-CG 3.66Å |
| 170 | M | 95.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.9 | -174.6 | 62.5 | -171.7 | 71.9 | 0 | 0 | 112.5 | G165 I166 K172 T186 F187 W197 | G165-M170 CarbonylContact C-O 3.52Å; G165-M170 WeakPolarHBondContact CA-O 3.46Å; I166-M170 HydrophobicContact CB-CG 4.19Å; I166-M170 PolarHBondContact N-O 3.46Å; I166-M170 PolarHBondContact O-N 2.74Å; M170-K172 HydrophobicContact CG-CG 4.45Å; M170-K172 HydrophobicContact SD-CD 4.46Å; M170-K172 WeakPolarHBondContact SD-CE 3.41Å; M170-K172 HydrophobicContact SD-CG 4.47Å; M170-T186 HydrophobicContact CB-CG2 4.34Å; M170-T186 HydrophobicContact SD-CG2 4.39Å; M170-F187 CarbonylContact C-O 3.54Å; M170-F187 WeakPolarHBondContact CA-O 3.26Å; M170-F187 WeakPolarHBondContact CB-O 3.33Å; M170-W197 WeakPolarHBondContact O-CZ3 3.35Å |
| 171 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.2 | 165.2 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | A163 L173 T186 F187 L189 W197 L200 I209 L211 | A163-V171 HydrophobicContact CB-CG1 4.01Å; V171-L173 HydrophobicContact CG1-CD2 4.06Å; V171-T186 CarbonylContact O-C 3.58Å; V171-T186 WeakPolarHBondContact O-CA 3.42Å; V171-F187 HydrophobicContact CB-CB 4.37Å; V171-F187 HydrophobicContact CB-CD2 4.34Å; V171-F187 HydrophobicContact CG1-CD2 4.45Å; V171-F187 PolarHBondContact N-O 2.75Å; V171-F187 PolarHBondContact O-N 3.29Å; V171-L189 HydrophobicContact CG2-CD1 4.26Å; V171-W197 HydrophobicContact CG2-CH2 3.81Å; V171-W197 HydrophobicContact CG2-CZ3 3.62Å; V171-L200 HydrophobicContact CG1-CD1 4.13Å; V171-L200 HydrophobicContact CG2-CD1 4.26Å; V171-I209 HydrophobicContact CG1-CD1 4.14Å; V171-L211 HydrophobicContact CG2-CD1 4.04Å; V171-L211 HydrophobicContact CG2-CD2 3.96Å |
| 172 | K | 97.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 46 Ų | 46 | 23% | 0.23 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.9 | 175 | -70.9 | -170.6 | 174.6 | -168 | 0 | 109.4 | A163 A164 I166 M170 Y174 P183 A185 T186 | A163-K172 CarbonylContact C-O 3.6Å; A163-K172 WeakPolarHBondContact CA-O 3.17Å; A164-K172 PolarHBondContact N-O 3.15Å; A164-K172 PolarHBondContact O-N 2.8Å; I166-K172 HydrophobicContact CD1-CD 3.69Å; I166-K172 HydrophobicContact CD1-CG 4.28Å; M170-K172 HydrophobicContact CG-CG 4.45Å; M170-K172 HydrophobicContact SD-CD 4.46Å; M170-K172 WeakPolarHBondContact SD-CE 3.41Å; M170-K172 HydrophobicContact SD-CG 4.47Å; K172-Y174 HydrophobicContact CB-CD2 4.33Å; K172-Y174 HydrophobicContact CB-CE2 3.45Å; K172-Y174 VanDerWaalsContact CB-CE2 3.45Å; K172-Y174 HydrophobicContact CD-CE2 4.44Å; K172-Y174 VanDerWaalsContact CD-OH 3.3Å; K172-Y174 WeakPolarHBondContact CD-OH 3.49Å; K172-P183 HydrophobicContact CB-CB 3.95Å; K172-P183 HydrophobicContact CD-CB 4.3Å; K172-P183 HydrophobicContact CD-CG 4Å; K172-P183 HydrophobicContact CG-CB 4.34Å; K172-P183 HydrophobicContact CG-CG 4.44Å; K172-A185 WeakPolarHBondContact CA-O 3.36Å; K172-T186 HydrophobicContact CG-CG2 4.08Å |
| 173 | L | 98.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.2 | 177.2 | -54.6 | -174.4 | 0 | 0 | 0 | 110 | I161 A163 V171 P183 F184 A185 F187 F202 I209 | I161-L173 HydrophobicContact CD1-CD1 4.41Å; A163-L173 HydrophobicContact CB-CD2 3.53Å; V171-L173 HydrophobicContact CG1-CD2 4.06Å; L173-P183 CarbonylContact O-C 3.4Å; L173-P183 WeakPolarHBondContact O-CA 3.38Å; L173-P183 WeakPolarHBondContact O-CB 3.22Å; L173-F184 HydrophobicContact CB-CD1 4.4Å; L173-F184 HydrophobicContact CB-CE1 3.73Å; L173-F184 HydrophobicContact CB-CE2 3.92Å; L173-F184 HydrophobicContact CB-CZ 3.46Å; L173-F184 VanDerWaalsContact CB-CZ 3.46Å; L173-F184 HydrophobicContact CD1-CE2 4.17Å; L173-F184 HydrophobicContact CD1-CZ 4.08Å; L173-F184 HydrophobicContact CG-CZ 4.43Å; L173-F184 WeakPolarHBondContact O-CD1 3.48Å; L173-F184 PolarHBondContact O-N 2.84Å; L173-A185 HydrophobicContact CB-CB 4.19Å; L173-A185 HydrophobicContact CD1-CB 4.18Å; L173-A185 HydrophobicContact CG-CB 4.3Å; L173-A185 PolarHBondContact N-O 3.43Å; L173-F187 HydrophobicContact CD1-CE2 3.78Å; L173-F187 HydrophobicContact CD1-CZ 3.87Å; L173-F187 HydrophobicContact CG-CE2 4.22Å; L173-F202 HydrophobicContact CD2-CZ 4.01Å; L173-I209 HydrophobicContact CD2-CD1 4.02Å |
| 174 | Y | 98.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.1 | -178 | -64.3 | -97.2 | 0 | 0 | 0 | 109.8 | M145 I161 F162 A164 K172 F179 G182 P183 | M145-Y174 HydrophobicContact CE-CD1 3.63Å; M145-Y174 HydrophobicContact CE-CD2 4Å; M145-Y174 HydrophobicContact CE-CE1 3.22Å; M145-Y174 HydrophobicContact CE-CE2 3.63Å; M145-Y174 HydrophobicContact CE-CG 4Å; I161-Y174 CarbonylContact C-O 3.6Å; I161-Y174 WeakPolarHBondContact CA-O 3.11Å; I161-Y174 WeakPolarHBondContact CB-O 3.18Å; F162-Y174 HydrophobicContact CD2-CD2 4.24Å; F162-Y174 VanDerWaalsContact CE1-CB 3.49Å; F162-Y174 HydrophobicContact CE1-CG 4.27Å; F162-Y174 AromaticContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CD2 3.58Å; F162-Y174 HydrophobicContact CE2-CE2 4.33Å; F162-Y174 AromaticContact CE2-CG 3.88Å; F162-Y174 HydrophobicContact CE2-CG 3.88Å; F162-Y174 HydrophobicContact CZ-CD1 4.37Å; F162-Y174 AromaticContact CZ-CD2 3.86Å; F162-Y174 HydrophobicContact CZ-CD2 3.86Å; F162-Y174 AromaticContact CZ-CG 3.63Å; F162-Y174 HydrophobicContact CZ-CG 3.63Å; F162-Y174 PolarHBondContact N-O 2.69Å; F162-Y174 PolarHBondContact O-N 3.29Å; A164-Y174 HydrophobicContact CB-CD2 4.44Å; A164-Y174 HydrophobicContact CB-CE2 3.95Å; K172-Y174 HydrophobicContact CB-CD2 4.33Å; K172-Y174 HydrophobicContact CB-CE2 3.45Å; K172-Y174 VanDerWaalsContact CB-CE2 3.45Å; K172-Y174 HydrophobicContact CD-CE2 4.44Å; K172-Y174 VanDerWaalsContact CD-OH 3.3Å; K172-Y174 WeakPolarHBondContact CD-OH 3.49Å; Y174-F179 HydrophobicContact CD1-CB 4.46Å; Y174-G182 VanDerWaalsContact CD1-C 3.5Å; Y174-G182 VanDerWaalsContact CE1-C 3.5Å; Y174-P183 HydrophobicContact CD1-CB 4.19Å; Y174-P183 HydrophobicContact CD2-CB 4.48Å; Y174-P183 HydrophobicContact CE1-CB 3.82Å; Y174-P183 VanDerWaalsContact CE1-CD 3.49Å; Y174-P183 HydrophobicContact CE1-CG 4.22Å; Y174-P183 VanDerWaalsContact CE1-N 3.26Å; Y174-P183 HydrophobicContact CE2-CB 4.13Å |
| 175 | D | 97.1 | Very high | 95.1 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.9 | 165.8 | 175.2 | -67.9 | 0 | 0 | 0 | 108 | R177 S178 F179 F184 | D175-R177 VanDerWaalsContact C-N 3.27Å; D175-R177 PolarHBondContact O-N 3.13Å; D175-R177 WeakPolarHBondContact OD1-CA 3.17Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 PolarHBondContact OD1-N 2.98Å; D175-S178 WeakPolarHBondContact CB-OG 3.41Å; D175-S178 CarbonylContact O-C 3.6Å; D175-S178 PolarHBondContact O-N 3.48Å; D175-S178 PolarHBondContact OD1-N 3.4Å; D175-S178 PolarHBondContact OD1-OG 2.86Å; D175-F179 VanDerWaalsContact O-CA 3.27Å; D175-F179 WeakPolarHBondContact O-CA 3.4Å; D175-F179 WeakPolarHBondContact O-CB 3.26Å; D175-F179 PolarHBondContact O-N 2.99Å; D175-F184 HydrophobicContact CB-CD1 4.33Å |
| 176 | L | 94.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -62.9 | -34.8 | -174.3 | -177.1 | 64.2 | 0 | 0 | 0 | 112.5 | L133 F155 G159 L160 F162 S178 | L133-L176 HydrophobicContact CD1-CD1 4.03Å; L133-L176 HydrophobicContact CD2-CD1 4.36Å; F155-L176 HydrophobicContact CE1-CD1 3.8Å; F155-L176 HydrophobicContact CE1-CD2 3.85Å; F155-L176 HydrophobicContact CE1-CG 4.37Å; F155-L176 HydrophobicContact CZ-CD1 4.27Å; F155-L176 HydrophobicContact CZ-CD2 4.47Å; G159-L176 WeakPolarHBondContact O-CD2 3.16Å; L160-L176 VanDerWaalsContact O-CB 3.31Å; L160-L176 WeakPolarHBondContact O-CB 3.42Å; L160-L176 PolarHBondContact O-N 3.03Å; F162-L176 HydrophobicContact CD1-CD1 4.07Å; F162-L176 HydrophobicContact CE1-CD1 4.31Å; L176-S178 VanDerWaalsContact C-N 3.3Å |
| 177 | R | 93.8 | Very high | 95.4 | Very high | 221 Ų | 221 | 58.1 Ų | 58.1 | 83% | 0.834 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -80.8 | -14.2 | -176.6 | -63.1 | 179.4 | 177.8 | 170.9 | 0.9 | 112.8 | D175 | D175-R177 VanDerWaalsContact C-N 3.27Å; D175-R177 PolarHBondContact O-N 3.13Å; D175-R177 WeakPolarHBondContact OD1-CA 3.17Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 PolarHBondContact OD1-N 2.98Å |
| 178 | S | 95.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -142.2 | 33.5 | -175.4 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | D175 L176 D180 K181 | D175-S178 WeakPolarHBondContact CB-OG 3.41Å; D175-S178 CarbonylContact O-C 3.6Å; D175-S178 PolarHBondContact O-N 3.48Å; D175-S178 PolarHBondContact OD1-N 3.4Å; D175-S178 PolarHBondContact OD1-OG 2.86Å; L176-S178 VanDerWaalsContact C-N 3.3Å; S178-D180 WeakPolarHBondContact CA-OD1 3.19Å; S178-D180 PolarHBondContact O-N 2.88Å; S178-D180 VanDerWaalsContact O-N 3.14Å; S178-K181 WeakPolarHBondContact O-CB 3.27Å; S178-K181 PolarHBondContact O-N 3.32Å |
| 179 | F | 94.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 18% | 0.18 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60.4 | -25.4 | -178.3 | 75.4 | -87.3 | 0 | 0 | 0 | 112.6 | L133 G143 M145 F162 Y174 D175 K181 G182 | L133-F179 HydrophobicContact CD1-CD1 3.56Å; L133-F179 HydrophobicContact CD1-CD2 4.35Å; L133-F179 HydrophobicContact CD1-CE1 3.56Å; L133-F179 HydrophobicContact CD1-CE2 4.36Å; L133-F179 HydrophobicContact CD1-CG 3.99Å; L133-F179 HydrophobicContact CD1-CZ 3.99Å; G143-F179 VanDerWaalsContact CA-CZ 3.43Å; M145-F179 HydrophobicContact CG-CD2 3.83Å; M145-F179 HydrophobicContact CG-CE2 4.04Å; M145-F179 HydrophobicContact SD-CD2 4.02Å; F162-F179 HydrophobicContact CE1-CB 3.85Å; F162-F179 HydrophobicContact CZ-CB 4.01Å; Y174-F179 HydrophobicContact CD1-CB 4.46Å; D175-F179 VanDerWaalsContact O-CA 3.27Å; D175-F179 WeakPolarHBondContact O-CA 3.4Å; D175-F179 WeakPolarHBondContact O-CB 3.26Å; D175-F179 PolarHBondContact O-N 2.99Å; F179-K181 PolarHBondContact O-N 2.8Å; F179-G182 PolarHBondContact O-N 2.87Å; F179-G182 VanDerWaalsContact O-N 3.08Å |
| 180 | D | 91.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 69 Ų | 69 | 66% | 0.663 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -65 | -24.4 | 175.6 | 65 | -40.1 | 0 | 0 | 0 | 112.9 | S178 G182 | S178-D180 WeakPolarHBondContact CA-OD1 3.19Å; S178-D180 PolarHBondContact O-N 2.88Å; S178-D180 VanDerWaalsContact O-N 3.14Å; D180-G182 PolarHBondContact O-N 3.03Å |
| 181 | K | 95.3 | Very high | 94.8 | Very high | 174 Ų | 174 | 72.3 Ų | 72.3 | 76% | 0.757 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -73.1 | -6 | 172.2 | -59.6 | -174.3 | -176.5 | 171.6 | 0 | 113.3 | S178 F179 | S178-K181 WeakPolarHBondContact O-CB 3.27Å; S178-K181 PolarHBondContact O-N 3.32Å; F179-K181 PolarHBondContact O-N 2.8Å |
| 182 | G | 94.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 75 Ų | 75 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | trans | 88.3 | -176.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y174 F179 D180 | Y174-G182 VanDerWaalsContact CD1-C 3.5Å; Y174-G182 VanDerWaalsContact CE1-C 3.5Å; F179-G182 PolarHBondContact O-N 2.87Å; F179-G182 VanDerWaalsContact O-N 3.08Å; D180-G182 PolarHBondContact O-N 3.03Å | ||
| 183 | P | 96.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | trans | -73.3 | 135.9 | -175.1 | 32.5 | -37.7 | 0 | 0 | 0 | 111.3 | K172 L173 Y174 A185 | K172-P183 HydrophobicContact CB-CB 3.95Å; K172-P183 HydrophobicContact CD-CB 4.3Å; K172-P183 HydrophobicContact CD-CG 4Å; K172-P183 HydrophobicContact CG-CB 4.34Å; K172-P183 HydrophobicContact CG-CG 4.44Å; L173-P183 CarbonylContact O-C 3.4Å; L173-P183 WeakPolarHBondContact O-CA 3.38Å; L173-P183 WeakPolarHBondContact O-CB 3.22Å; Y174-P183 HydrophobicContact CD1-CB 4.19Å; Y174-P183 HydrophobicContact CD2-CB 4.48Å; Y174-P183 HydrophobicContact CE1-CB 3.82Å; Y174-P183 VanDerWaalsContact CE1-CD 3.49Å; Y174-P183 HydrophobicContact CE1-CG 4.22Å; Y174-P183 VanDerWaalsContact CE1-N 3.26Å; Y174-P183 HydrophobicContact CE2-CB 4.13Å; P183-A185 VanDerWaalsContact C-N 3.35Å | ||
| 184 | F | 97.4 | Very high | 92.7 | Very high | 120 Ų | 120 | 88.5 Ų | 88.5 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.6 | -20 | 172 | 68.3 | -97.4 | 0 | 0 | 0 | 112.2 | I161 L173 D175 | I161-F184 HydrophobicContact CB-CE1 4.22Å; I161-F184 HydrophobicContact CB-CZ 4.46Å; I161-F184 HydrophobicContact CD1-CZ 3.98Å; I161-F184 HydrophobicContact CG2-CE1 3.8Å; I161-F184 HydrophobicContact CG2-CZ 4.02Å; L173-F184 HydrophobicContact CB-CD1 4.4Å; L173-F184 HydrophobicContact CB-CE1 3.73Å; L173-F184 HydrophobicContact CB-CE2 3.92Å; L173-F184 HydrophobicContact CB-CZ 3.46Å; L173-F184 VanDerWaalsContact CB-CZ 3.46Å; L173-F184 HydrophobicContact CD1-CE2 4.17Å; L173-F184 HydrophobicContact CD1-CZ 4.08Å; L173-F184 HydrophobicContact CG-CZ 4.43Å; L173-F184 WeakPolarHBondContact O-CD1 3.48Å; L173-F184 PolarHBondContact O-N 2.84Å; D175-F184 HydrophobicContact CB-CD1 4.33Å |
| 185 | A | 97.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 88.9 Ų | 88.9 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K172 L173 P183 F187 | K172-A185 WeakPolarHBondContact CA-O 3.36Å; L173-A185 HydrophobicContact CB-CB 4.19Å; L173-A185 HydrophobicContact CD1-CB 4.18Å; L173-A185 HydrophobicContact CG-CB 4.3Å; L173-A185 PolarHBondContact N-O 3.43Å; P183-A185 VanDerWaalsContact C-N 3.35Å; A185-F187 HydrophobicContact CB-CE1 4.07Å; A185-F187 HydrophobicContact CB-CZ 4.27Å |
| 186 | T | 97.5 | Very high | 92 | Very high | 61 Ų | 61 | 90.4 Ų | 90.4 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 118.1 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | M170 V171 K172 | M170-T186 HydrophobicContact CB-CG2 4.34Å; M170-T186 HydrophobicContact SD-CG2 4.39Å; V171-T186 CarbonylContact O-C 3.58Å; V171-T186 WeakPolarHBondContact O-CA 3.42Å; K172-T186 HydrophobicContact CG-CG2 4.08Å |
| 187 | F | 97.8 | Very high | 92 | Very high | 19 Ų | 19 | 89.4 Ų | 89.4 | 8% | 0.083 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.9 | 176.2 | -50.9 | -34.3 | 0 | 0 | 0 | 108.7 | M170 V171 L173 A185 I209 A223 G226 | M170-F187 CarbonylContact C-O 3.54Å; M170-F187 WeakPolarHBondContact CA-O 3.26Å; M170-F187 WeakPolarHBondContact CB-O 3.33Å; V171-F187 HydrophobicContact CB-CB 4.37Å; V171-F187 HydrophobicContact CB-CD2 4.34Å; V171-F187 HydrophobicContact CG1-CD2 4.45Å; V171-F187 PolarHBondContact N-O 2.75Å; V171-F187 PolarHBondContact O-N 3.29Å; L173-F187 HydrophobicContact CD1-CE2 3.78Å; L173-F187 HydrophobicContact CD1-CZ 3.87Å; L173-F187 HydrophobicContact CG-CE2 4.22Å; A185-F187 HydrophobicContact CB-CE1 4.07Å; A185-F187 HydrophobicContact CB-CZ 4.27Å; F187-I209 HydrophobicContact CE2-CD1 4.22Å; F187-A223 WeakPolarHBondContact CE2-O 3.33Å; F187-A223 WeakPolarHBondContact CZ-O 3.44Å; F187-G226 VanDerWaalsContact CD1-CA 3.44Å; F187-G226 VanDerWaalsContact CD2-CA 3.41Å |
| 188 | K | 95.8 | Very high | 92.1 | Very high | 174 Ų | 174 | 79.9 Ų | 79.9 | 76% | 0.757 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.4 | 174.9 | -66.1 | -177.3 | -179.5 | 179.5 | 0 | 109 | ||
| 189 | L | 93.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 79.3 Ų | 79.3 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | trans | -106.6 | 160.8 | 172.6 | -69 | 82.1 | 0 | 0 | 0 | 109.8 | E169 V171 Y191 W197 L211 L221 V228 | E169-L189 PolarHBondContact O-N 2.83Å; V171-L189 HydrophobicContact CG2-CD1 4.26Å; L189-Y191 PolarHBondContact O-N 3.14Å; L189-W197 HydrophobicContact CB-CZ2 4.22Å; L189-W197 HydrophobicContact CD1-CH2 3.8Å; L189-W197 HydrophobicContact CD1-CZ2 4.09Å; L189-W197 HydrophobicContact CD2-CH2 4.39Å; L189-W197 HydrophobicContact CD2-CZ2 3.91Å; L189-W197 HydrophobicContact CG-CZ2 4.3Å; L189-L211 HydrophobicContact CD2-CD1 3.62Å; L189-L221 HydrophobicContact CD1-CD2 3.84Å; L189-L221 HydrophobicContact CD2-CD1 4.21Å; L189-L221 HydrophobicContact CD2-CD2 4Å; L189-L221 HydrophobicContact CG-CD2 4.14Å; L189-V228 HydrophobicContact CD2-CG2 4.08Å; L189-V228 HydrophobicContact CG-CG2 4.4Å | ||
| 190 | Q | 86.5 | Confident | 92.3 | Very high | 166 Ų | 166 | 77.7 Ų | 77.7 | 78% | 0.776 | 38% | 0.383 | S | S | * | . | trans | -64 | 118.8 | 170.1 | -174.5 | 176.4 | 13.8 | 0 | 0 | 109.2 | D192 | Q190-D192 PolarHBondContact O-N 2.87Š| ||
| 191 | Y | 80.4 | Confident | 92.6 | Very high | 110 Ų | 110 | 74 Ų | 74 | 43% | 0.431 | 36% | 0.362 | S | S | . | . | trans | -64.8 | 124 | 175.7 | -175.8 | -132.7 | 0 | 0 | 0 | 110.3 | N167 E169 L189 R193 | N167-Y191 WeakPolarHBondContact O-CE2 3.18Å; E169-Y191 HydrophobicContact CG-CD2 3.26Å; E169-Y191 HydrophobicContact CG-CE2 3.94Å; E169-Y191 HydrophobicContact CG-CG 3.66Å; L189-Y191 PolarHBondContact O-N 3.14Å; Y191-R193 HydrophobicContact CD1-CG 3.78Å; Y191-R193 HydrophobicContact CE1-CB 4.45Å; Y191-R193 HydrophobicContact CE1-CG 3.34Å | ||
| 192 | D | 82.2 | Confident | 92.7 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | trans | -107 | 112.5 | 172.4 | -174.7 | -9.2 | 0 | 0 | 0 | 108.6 | Q190 T194 | Q190-D192 PolarHBondContact O-N 2.87Å; D192-T194 VanDerWaalsContact CG-OG1 3.26Å; D192-T194 PolarHBondContact O-N 2.97Å; D192-T194 WeakPolarHBondContact OD1-CB 3.19Å; D192-T194 PolarHBondContact OD1-N 2.86Å; D192-T194 PolarHBondContact OD1-OG1 2.98Å; D192-T194 PolarHBondContact OD2-OG1 3.25Å | ||
| 193 | R | 81.8 | Confident | 92.9 | Very high | 218 Ų | 218 | 65.2 Ų | 65.2 | 82% | 0.823 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.6 | 180 | -71.5 | 179.9 | -178.6 | -173.2 | 1.1 | 113.3 | Y191 | Y191-R193 HydrophobicContact CD1-CG 3.78Å; Y191-R193 HydrophobicContact CE1-CB 4.45Å; Y191-R193 HydrophobicContact CE1-CG 3.34Å |
| 194 | T | 85.1 | Confident | 92.8 | Very high | 121 Ų | 121 | 67.6 Ų | 67.6 | 74% | 0.742 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -10.3 | -174.8 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | D192 | D192-T194 VanDerWaalsContact CG-OG1 3.26Å; D192-T194 PolarHBondContact O-N 2.97Å; D192-T194 WeakPolarHBondContact OD1-CB 3.19Å; D192-T194 PolarHBondContact OD1-N 2.86Å; D192-T194 PolarHBondContact OD1-OG1 2.98Å; D192-T194 PolarHBondContact OD2-OG1 3.25Å |
| 195 | C | 88.8 | Confident | 92.8 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | trans | -144.2 | 158.4 | 177.5 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | N214 | C195-N214 WeakPolarHBondContact CA-OD1 3.48Š| ||
| 196 | E | 92.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | trans | -112.9 | 150.1 | 171.6 | -62.3 | -168.5 | 154 | 0 | 0 | 110.6 | K150 S168 T213 N214 | K150-E196 IonicContact NZ-OE2 2.68Å; K150-E196 PolarHBondContact NZ-OE2 2.97Å; S168-E196 WeakPolarHBondContact OG-CA 3.02Å; E196-T213 CarbonylContact O-C 3.59Å; E196-T213 WeakPolarHBondContact O-CA 3.47Å; E196-T213 WeakPolarHBondContact O-CB 3.43Å; E196-N214 PolarHBondContact N-OD1 3.04Å; E196-N214 PolarHBondContact O-N 3.03Å; E196-N214 PolarHBondContact O-OD1 2.86Å | ||
| 197 | W | 95 | Very high | 92.8 | Very high | 17 Ų | 17 | 67.9 Ų | 67.9 | 6% | 0.064 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133.1 | 166.7 | -60.6 | -0.5 | 0 | 0 | 0 | 109.8 | K150 V152 S168 M170 V171 L189 L211 S212 | K150-W197 PolarHBondContact NZ-O 3.32Å; V152-W197 HydrophobicContact CG2-CB 4.2Å; V152-W197 HydrophobicContact CG2-CE3 4.13Å; S168-W197 VanDerWaalsContact C-CE2 3.48Å; S168-W197 VanDerWaalsContact CA-CD2 3.49Å; S168-W197 VanDerWaalsContact CA-CE2 3.41Å; S168-W197 WeakPolarHBondContact O-CZ2 3.49Å; S168-W197 PolarHBondContact OG-N 2.94Å; M170-W197 WeakPolarHBondContact O-CZ3 3.35Å; V171-W197 HydrophobicContact CG2-CH2 3.81Å; V171-W197 HydrophobicContact CG2-CZ3 3.62Å; L189-W197 HydrophobicContact CB-CZ2 4.22Å; L189-W197 HydrophobicContact CD1-CH2 3.8Å; L189-W197 HydrophobicContact CD1-CZ2 4.09Å; L189-W197 HydrophobicContact CD2-CH2 4.39Å; L189-W197 HydrophobicContact CD2-CZ2 3.91Å; L189-W197 HydrophobicContact CG-CZ2 4.3Å; W197-L211 HydrophobicContact CD2-CD1 4.09Å; W197-L211 HydrophobicContact CD2-CD2 4.2Å; W197-L211 HydrophobicContact CE3-CD1 4.18Å; W197-L211 HydrophobicContact CE3-CD2 3.82Å; W197-L211 HydrophobicContact CH2-CD1 3.75Å; W197-L211 HydrophobicContact CZ2-CD1 3.64Å; W197-L211 HydrophobicContact CZ3-CD1 4Å; W197-L211 HydrophobicContact CZ3-CD2 4.04Å; W197-S212 CarbonylContact C-O 3.45Å; W197-S212 WeakPolarHBondContact CA-O 3.34Å |
| 198 | T | 94.5 | Very high | 92.9 | Very high | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -20.3 | -178.7 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | S212 T213 N214 T242 | T198-S212 PolarHBondContact N-O 3.46Å; T198-S212 VanDerWaalsContact OG1-C 3.29Å; T198-S212 PolarHBondContact OG1-O 3.46Å; T198-T213 PolarHBondContact OG1-N 2.98Å; T198-N214 HydrophobicContact CG2-CB 3.78Å; T198-T242 HydrophobicContact CG2-CG2 3.78Å |
| 199 | G | 95.4 | Very high | 93 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 155.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S212 | G199-S212 PolarHBondContact N-O 3.48Å; G199-S212 PolarHBondContact O-N 3.28Å |
| 200 | L | 97.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 133 | 173 | -173 | 156.5 | 0 | 0 | 0 | 107.1 | V152 S154 A163 V171 F202 I209 L210 L211 | V152-L200 HydrophobicContact CB-CB 4.11Å; V152-L200 HydrophobicContact CG2-CB 3.79Å; V152-L200 HydrophobicContact CG2-CD1 4.32Å; S154-L200 WeakPolarHBondContact CB-O 3.38Å; A163-L200 HydrophobicContact CB-CD1 3.89Å; A163-L200 HydrophobicContact CB-CD2 3.52Å; A163-L200 HydrophobicContact CB-CG 4.38Å; V171-L200 HydrophobicContact CG1-CD1 4.13Å; V171-L200 HydrophobicContact CG2-CD1 4.26Å; L200-F202 HydrophobicContact CD2-CE2 4.45Å; L200-I209 HydrophobicContact CD1-CG2 4.35Å; L200-I209 HydrophobicContact CD2-CG2 4.13Å; L200-I209 HydrophobicContact CG-CG2 3.98Å; L200-L210 CarbonylContact C-O 3.54Å; L200-L210 VanDerWaalsContact CA-O 3.29Å; L200-L210 WeakPolarHBondContact CA-O 3.43Å; L200-L211 HydrophobicContact CB-CD2 4.18Å; L200-L211 HydrophobicContact CD1-CD2 3.77Å; L200-L211 HydrophobicContact CG-CD2 3.85Å |
| 201 | K | 97.9 | Very high | 93.8 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.4 | 173.3 | -65.3 | -172.5 | 178.9 | -176.9 | 0 | 110.6 | I209 L210 E244 | K201-I209 CarbonylContact O-C 3.55Å; K201-L210 PolarHBondContact N-O 2.9Å; K201-L210 PolarHBondContact O-N 3.08Å; K201-E244 WeakPolarHBondContact CE-OE1 3.34Å; K201-E244 IonicContact NZ-OE1 2.76Å; K201-E244 PolarHBondContact NZ-OE1 3.4Å |
| 202 | F | 98.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 153.9 | 163.8 | -75.2 | -96.1 | 0 | 0 | 0 | 110.5 | F155 D156 P157 I161 A163 L173 L200 L208 I209 A223 | F155-F202 WeakPolarHBondContact O-CD2 3.43Å; D156-F202 HydrophobicContact CB-CD1 4.22Å; D156-F202 HydrophobicContact CB-CD2 4.2Å; D156-F202 HydrophobicContact CB-CE1 4.21Å; D156-F202 HydrophobicContact CB-CE2 4.17Å; D156-F202 HydrophobicContact CB-CG 4.19Å; D156-F202 HydrophobicContact CB-CZ 4.17Å; P157-F202 HydrophobicContact CG-CB 4.38Å; I161-F202 HydrophobicContact CD1-CE1 4.39Å; I161-F202 HydrophobicContact CD1-CZ 4.13Å; A163-F202 HydrophobicContact CB-CE2 3.48Å; A163-F202 VanDerWaalsContact CB-CE2 3.48Å; A163-F202 HydrophobicContact CB-CZ 3.68Å; L173-F202 HydrophobicContact CD2-CZ 4.01Å; L200-F202 HydrophobicContact CD2-CE2 4.45Å; F202-L208 CarbonylContact C-O 3.55Å; F202-L208 WeakPolarHBondContact CA-O 3.13Å; F202-I209 HydrophobicContact CD1-CG1 3.81Å; F202-I209 HydrophobicContact CE1-CD1 3.84Å; F202-I209 HydrophobicContact CE1-CG1 3.62Å; F202-I209 HydrophobicContact CG-CG1 4.48Å; F202-I209 HydrophobicContact CZ-CD1 4.07Å; F202-I209 HydrophobicContact CZ-CG1 4.14Å; F202-A223 HydrophobicContact CD1-CB 4.43Å; F202-A223 HydrophobicContact CE1-CB 4.22Å |
| 203 | S | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -67.7 | 154.1 | 160.4 | 58.5 | 0 | 0 | 0 | 0 | 110 | P157 D205 G206 K207 L208 | P157-S203 WeakPolarHBondContact CG-O 3.45Å; S203-D205 WeakPolarHBondContact CB-OD1 3.35Å; S203-D205 PolarHBondContact O-N 3.32Å; S203-D205 PolarHBondContact OG-OD1 3.08Å; S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.18Å; S203-K207 PolarHBondContact OG-N 3.36Å; S203-L208 PolarHBondContact N-O 3.11Å; S203-L208 PolarHBondContact OG-N 3.25Å; S203-L208 PolarHBondContact OG-O 2.92Å | ||
| 204 | N | 95.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 34.5 Ų | 34.5 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.2 | -178 | -70.9 | -5.8 | 0 | 0 | 0 | 113.4 | P157 G206 P249 S251 | P157-N204 WeakPolarHBondContact CB-O 3.27Å; P157-N204 WeakPolarHBondContact CG-O 3.34Å; N204-G206 VanDerWaalsContact C-N 3.33Å; N204-P249 VanDerWaalsContact ND2-CA 3.33Å; N204-P249 WeakPolarHBondContact ND2-CA 3.42Å; N204-P249 PolarHBondContact ND2-O 2.81Å; N204-S251 PolarHBondContact N-OG 3.35Å |
| 205 | D | 96.9 | Very high | 96 | Very high | 73 Ų | 73 | 29.2 Ų | 29.2 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.4 | 172.8 | 76.4 | -17.5 | 0 | 0 | 0 | 113.7 | S203 K207 S251 | S203-D205 WeakPolarHBondContact CB-OD1 3.35Å; S203-D205 PolarHBondContact O-N 3.32Å; S203-D205 PolarHBondContact OG-OD1 3.08Å; D205-K207 PolarHBondContact O-N 2.83Å; D205-K207 VanDerWaalsContact O-N 3.16Å; D205-K207 PolarHBondContact OD1-N 3Å; D205-K207 WeakPolarHBondContact OD2-CD 3.38Å; D205-K207 WeakPolarHBondContact OD2-CG 3.39Å; D205-K207 IonicContact OD2-NZ 2.78Å; D205-K207 PolarHBondContact OD2-NZ 3.01Å; D205-S251 PolarHBondContact N-OG 3.06Å |
| 206 | G | 97.6 | Very high | 96 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 19% | 0.186 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 73.1 | -1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S203 N204 A223 | S203-G206 WeakPolarHBondContact O-CA 3.47Å; S203-G206 PolarHBondContact O-N 3.18Å; N204-G206 VanDerWaalsContact C-N 3.33Å; G206-A223 VanDerWaalsContact O-CB 3.27Å; G206-A223 WeakPolarHBondContact O-CB 3.47Å |
| 207 | K | 98.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 27.8 Ų | 27.8 | 50% | 0.504 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -83.5 | -21.6 | -172.5 | -58.9 | -169.1 | -163 | 110 | 0 | 114.3 | S203 D205 A223 F224 | S203-K207 PolarHBondContact OG-N 3.36Å; D205-K207 PolarHBondContact O-N 2.83Å; D205-K207 VanDerWaalsContact O-N 3.16Å; D205-K207 PolarHBondContact OD1-N 3Å; D205-K207 WeakPolarHBondContact OD2-CD 3.38Å; D205-K207 WeakPolarHBondContact OD2-CG 3.39Å; D205-K207 IonicContact OD2-NZ 2.78Å; D205-K207 PolarHBondContact OD2-NZ 3.01Å; K207-A223 VanDerWaalsContact O-CB 3.31Å; K207-A223 WeakPolarHBondContact O-CB 3.36Å; K207-A223 PolarHBondContact O-N 3.49Å; K207-F224 HydrophobicContact CB-CE2 4.38Å; K207-F224 HydrophobicContact CG-CE2 4.25Å |
| 208 | L | 98.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.7 | -175.4 | -55.8 | 176.9 | 0 | 0 | 0 | 111.6 | F202 S203 I220 L221 L229 F247 A268 | F202-L208 CarbonylContact C-O 3.55Å; F202-L208 WeakPolarHBondContact CA-O 3.13Å; S203-L208 PolarHBondContact N-O 3.11Å; S203-L208 PolarHBondContact OG-N 3.25Å; S203-L208 PolarHBondContact OG-O 2.92Å; L208-I220 HydrophobicContact CD1-CD1 4.48Å; L208-L221 CarbonylContact C-O 3.57Å; L208-L221 VanDerWaalsContact CA-O 3.23Å; L208-L221 WeakPolarHBondContact CA-O 3.3Å; L208-L229 HydrophobicContact CD2-CD1 3.49Å; L208-L229 VanDerWaalsContact CD2-CD1 3.49Å; L208-F247 HydrophobicContact CB-CE1 4.34Å; L208-F247 HydrophobicContact CB-CZ 3.78Å; L208-F247 HydrophobicContact CD1-CE1 3.96Å; L208-F247 HydrophobicContact CD1-CZ 4.24Å; L208-A268 HydrophobicContact CD1-CB 4.11Å |
| 209 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.8 | 166.9 | -62.2 | 171.8 | 0 | 0 | 0 | 108.2 | V171 L173 F187 L200 K201 F202 L211 I220 L221 A223 | V171-I209 HydrophobicContact CG1-CD1 4.14Å; L173-I209 HydrophobicContact CD2-CD1 4.02Å; F187-I209 HydrophobicContact CE2-CD1 4.22Å; L200-I209 HydrophobicContact CD1-CG2 4.35Å; L200-I209 HydrophobicContact CD2-CG2 4.13Å; L200-I209 HydrophobicContact CG-CG2 3.98Å; K201-I209 CarbonylContact O-C 3.55Å; F202-I209 HydrophobicContact CD1-CG1 3.81Å; F202-I209 HydrophobicContact CE1-CD1 3.84Å; F202-I209 HydrophobicContact CE1-CG1 3.62Å; F202-I209 HydrophobicContact CG-CG1 4.48Å; F202-I209 HydrophobicContact CZ-CD1 4.07Å; F202-I209 HydrophobicContact CZ-CG1 4.14Å; I209-L211 HydrophobicContact CG2-CD2 4.3Å; I209-I220 CarbonylContact O-C 3.55Å; I209-I220 VanDerWaalsContact O-CA 3.29Å; I209-I220 WeakPolarHBondContact O-CA 3.45Å; I209-L221 HydrophobicContact CB-CB 4.38Å; I209-L221 PolarHBondContact N-O 2.82Å; I209-L221 PolarHBondContact O-N 3.33Å; I209-A223 HydrophobicContact CD1-CB 4.16Å; I209-A223 HydrophobicContact CG1-CB 3.89Å |
| 210 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.6 | 173.7 | 168.5 | 61.2 | 0 | 0 | 0 | 110.1 | L200 K201 L218 I220 A245 F247 V254 | L200-L210 CarbonylContact C-O 3.54Å; L200-L210 VanDerWaalsContact CA-O 3.29Å; L200-L210 WeakPolarHBondContact CA-O 3.43Å; K201-L210 PolarHBondContact N-O 2.9Å; K201-L210 PolarHBondContact O-N 3.08Å; L210-L218 HydrophobicContact CD1-CD1 3.54Å; L210-I220 HydrophobicContact CB-CG2 4.27Å; L210-I220 HydrophobicContact CD1-CG2 3.87Å; L210-A245 HydrophobicContact CD1-CB 4.27Å; L210-A245 HydrophobicContact CD2-CB 3.86Å; L210-A245 HydrophobicContact CG-CB 4.41Å; L210-F247 HydrophobicContact CB-CD2 4.14Å; L210-F247 HydrophobicContact CB-CE2 3.31Å; L210-F247 HydrophobicContact CB-CZ 3.66Å; L210-F247 HydrophobicContact CD2-CD2 4.15Å; L210-F247 HydrophobicContact CD2-CE2 4.11Å; L210-F247 HydrophobicContact CG-CE2 4.34Å; L210-V254 HydrophobicContact CD1-CG1 4Å; L210-V254 HydrophobicContact CD2-CG1 4.13Å |
| 211 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.2 | 171.7 | -62.5 | 177.7 | 0 | 0 | 0 | 109.5 | V171 L189 W197 L200 I209 L218 R219 L221 | V171-L211 HydrophobicContact CG2-CD1 4.04Å; V171-L211 HydrophobicContact CG2-CD2 3.96Å; L189-L211 HydrophobicContact CD2-CD1 3.62Å; W197-L211 HydrophobicContact CD2-CD1 4.09Å; W197-L211 HydrophobicContact CD2-CD2 4.2Å; W197-L211 HydrophobicContact CE3-CD1 4.18Å; W197-L211 HydrophobicContact CE3-CD2 3.82Å; W197-L211 HydrophobicContact CH2-CD1 3.75Å; W197-L211 HydrophobicContact CZ2-CD1 3.64Å; W197-L211 HydrophobicContact CZ3-CD1 4Å; W197-L211 HydrophobicContact CZ3-CD2 4.04Å; L200-L211 HydrophobicContact CB-CD2 4.18Å; L200-L211 HydrophobicContact CD1-CD2 3.77Å; L200-L211 HydrophobicContact CG-CD2 3.85Å; I209-L211 HydrophobicContact CG2-CD2 4.3Å; L211-L218 WeakPolarHBondContact O-CA 3.31Å; L211-L218 WeakPolarHBondContact O-CB 3.39Å; L211-R219 PolarHBondContact N-O 3.06Å; L211-R219 PolarHBondContact O-N 2.67Å; L211-L221 HydrophobicContact CD1-CD1 3.58Å; L211-L221 HydrophobicContact CG-CD1 3.89Å |
| 212 | S | 95.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 142 | 170.5 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | W197 T198 G199 A245 | W197-S212 CarbonylContact C-O 3.45Å; W197-S212 WeakPolarHBondContact CA-O 3.34Å; T198-S212 PolarHBondContact N-O 3.46Å; T198-S212 VanDerWaalsContact OG1-C 3.29Å; T198-S212 PolarHBondContact OG1-O 3.46Å; G199-S212 PolarHBondContact N-O 3.48Å; G199-S212 PolarHBondContact O-N 3.28Å; S212-A245 WeakPolarHBondContact OG-CB 3.41Å; S212-A245 PolarHBondContact OG-N 2.8Å |
| 213 | T | 94.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159 | 177.1 | 80.6 | 0 | 0 | 0 | 0 | 110.3 | E196 T198 G215 A217 | E196-T213 CarbonylContact O-C 3.59Å; E196-T213 WeakPolarHBondContact O-CA 3.47Å; E196-T213 WeakPolarHBondContact O-CB 3.43Å; T198-T213 PolarHBondContact OG1-N 2.98Å; T213-G215 PolarHBondContact O-N 3.46Å; T213-G215 WeakPolarHBondContact OG1-CA 3.45Å; T213-G215 PolarHBondContact OG1-N 2.79Å; T213-A217 WeakPolarHBondContact CG2-O 3.48Å; T213-A217 PolarHBondContact OG1-O 2.77Å |
| 214 | N | 93.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -81.4 | 8.5 | 164.6 | 72.1 | -14.6 | 0 | 0 | 0 | 112.3 | C195 E196 T198 N237 G240 V241 | C195-N214 WeakPolarHBondContact CA-OD1 3.48Å; E196-N214 PolarHBondContact N-OD1 3.04Å; E196-N214 PolarHBondContact O-N 3.03Å; E196-N214 PolarHBondContact O-OD1 2.86Å; T198-N214 HydrophobicContact CG2-CB 3.78Å; N214-N237 VanDerWaalsContact C-ND2 3.26Å; N214-N237 PolarHBondContact O-ND2 2.91Å; N214-G240 WeakPolarHBondContact CB-O 3.41Å; N214-G240 WeakPolarHBondContact O-CA 3.48Å; N214-V241 WeakPolarHBondContact CA-O 3.49Å |
| 215 | G | 91.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -88.4 | -166.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T213 A217 Y235 N237 | T213-G215 PolarHBondContact O-N 3.46Å; T213-G215 WeakPolarHBondContact OG1-CA 3.45Å; T213-G215 PolarHBondContact OG1-N 2.79Å; G215-A217 VanDerWaalsContact C-N 3.31Å; G215-Y235 PolarHBondContact O-OH 2.83Å; G215-N237 PolarHBondContact O-ND2 2.73Å |
| 216 | G | 90 | Very high | 96.4 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 46% | 0.464 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -85.4 | 5.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | G233 | G216-G233 VanDerWaalsContact O-CA 3.31Å; G216-G233 WeakPolarHBondContact O-CA 3.36Å |
| 217 | A | 93.3 | Very high | 96.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T213 G215 F232 Y235 | T213-A217 WeakPolarHBondContact CG2-O 3.48Å; T213-A217 PolarHBondContact OG1-O 2.77Å; G215-A217 VanDerWaalsContact C-N 3.31Å; A217-F232 WeakPolarHBondContact CA-O 3.36Å; A217-F232 WeakPolarHBondContact CB-O 3.48Å; A217-Y235 VanDerWaalsContact CA-OH 3.32Å; A217-Y235 WeakPolarHBondContact CA-OH 3.22Å; A217-Y235 PolarHBondContact N-OH 2.89Å |
| 218 | L | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 157.9 | 166.3 | 65.4 | 96.2 | 0 | 0 | 0 | 109.4 | L210 L211 S231 F232 Y235 A245 V254 I256 W266 | L210-L218 HydrophobicContact CD1-CD1 3.54Å; L211-L218 WeakPolarHBondContact O-CA 3.31Å; L211-L218 WeakPolarHBondContact O-CB 3.39Å; L218-S231 CarbonylContact O-C 3.58Å; L218-S231 WeakPolarHBondContact O-CA 3.32Å; L218-F232 HydrophobicContact CD1-CB 3.98Å; L218-F232 HydrophobicContact CD1-CD2 3.43Å; L218-F232 VanDerWaalsContact CD1-CD2 3.43Å; L218-F232 HydrophobicContact CD1-CE2 4.31Å; L218-F232 HydrophobicContact CD1-CG 4.14Å; L218-F232 HydrophobicContact CG-CB 3.99Å; L218-F232 HydrophobicContact CG-CD2 4.35Å; L218-F232 PolarHBondContact N-O 2.88Å; L218-F232 PolarHBondContact O-N 2.91Å; L218-Y235 HydrophobicContact CD2-CE1 4.18Å; L218-Y235 PolarHBondContact N-OH 2.78Å; L218-A245 HydrophobicContact CD2-CB 4.07Å; L218-V254 HydrophobicContact CD1-CG1 3.76Å; L218-V254 HydrophobicContact CD2-CG1 4.48Å; L218-I256 HydrophobicContact CD2-CB 3.72Å; L218-I256 HydrophobicContact CD2-CD1 3.52Å; L218-I256 HydrophobicContact CD2-CG1 4.12Å; L218-I256 HydrophobicContact CD2-CG2 3.8Å; L218-W266 HydrophobicContact CD2-CZ3 4.36Å |
| 219 | R | 96.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 37 Ų | 37 | 27% | 0.272 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.6 | -177.8 | -56.6 | -164.3 | -170.7 | -118 | 12.3 | 111.6 | L211 L221 H230 S231 | L211-R219 PolarHBondContact N-O 3.06Å; L211-R219 PolarHBondContact O-N 2.67Å; R219-L221 HydrophobicContact CB-CD1 4.32Å; R219-H230 WeakPolarHBondContact CA-O 3.17Å; R219-S231 PolarHBondContact NH1-OG 2.97Å |
| 220 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.2 | 166 | 58.3 | 169.7 | 0 | 0 | 0 | 110.6 | L208 I209 L210 L229 H230 F232 F247 V254 A268 | L208-I220 HydrophobicContact CD1-CD1 4.48Å; I209-I220 CarbonylContact O-C 3.55Å; I209-I220 VanDerWaalsContact O-CA 3.29Å; I209-I220 WeakPolarHBondContact O-CA 3.45Å; L210-I220 HydrophobicContact CB-CG2 4.27Å; L210-I220 HydrophobicContact CD1-CG2 3.87Å; I220-L229 HydrophobicContact CG1-CB 4.4Å; I220-L229 PolarHBondContact O-N 2.84Å; I220-H230 HydrophobicContact CD1-CB 3.97Å; I220-H230 HydrophobicContact CG1-CB 3.73Å; I220-H230 PolarHBondContact N-O 3.35Å; I220-H230 PolarHBondContact O-N 2.87Å; I220-F232 HydrophobicContact CB-CE2 4.46Å; I220-F232 HydrophobicContact CD1-CE2 3.65Å; I220-F232 HydrophobicContact CD1-CZ 3.85Å; I220-F232 HydrophobicContact CG1-CE2 3.67Å; I220-F232 HydrophobicContact CG1-CZ 4.29Å; I220-F232 HydrophobicContact CG2-CE2 4.02Å; I220-F247 HydrophobicContact CG2-CE1 4.31Å; I220-F247 HydrophobicContact CG2-CZ 4.05Å; I220-V254 HydrophobicContact CG2-CG2 4.02Å; I220-A268 HydrophobicContact CD1-CB 4.24Å; I220-A268 WeakPolarHBondContact CD1-O 3.48Å |
| 221 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150 | -177.5 | -66.9 | 79.7 | 0 | 0 | 0 | 109.8 | L189 L208 I209 L211 R219 A223 A227 V228 | L189-L221 HydrophobicContact CD1-CD2 3.84Å; L189-L221 HydrophobicContact CD2-CD1 4.21Å; L189-L221 HydrophobicContact CD2-CD2 4Å; L189-L221 HydrophobicContact CG-CD2 4.14Å; L208-L221 CarbonylContact C-O 3.57Å; L208-L221 VanDerWaalsContact CA-O 3.23Å; L208-L221 WeakPolarHBondContact CA-O 3.3Å; I209-L221 HydrophobicContact CB-CB 4.38Å; I209-L221 PolarHBondContact N-O 2.82Å; I209-L221 PolarHBondContact O-N 3.33Å; L211-L221 HydrophobicContact CD1-CD1 3.58Å; L211-L221 HydrophobicContact CG-CD1 3.89Å; R219-L221 HydrophobicContact CB-CD1 4.32Å; L221-A223 PolarHBondContact O-N 2.99Å; L221-A227 CarbonylContact C-O 3.59Å; L221-A227 VanDerWaalsContact CA-O 3.24Å; L221-A227 WeakPolarHBondContact CA-O 3.32Å; L221-V228 HydrophobicContact CG-CG2 4.21Å |
| 222 | D | 98.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 121.5 | 161 | -177.9 | -53.9 | 0 | 0 | 0 | 108.9 | F224 K225 G226 A227 L229 | D222-F224 PolarHBondContact O-N 2.95Å; D222-F224 WeakPolarHBondContact OD1-CA 3.32Å; D222-F224 WeakPolarHBondContact OD1-CB 3.5Å; D222-F224 PolarHBondContact OD1-N 3.01Å; D222-K225 HydrophobicContact CB-CB 4.3Å; D222-K225 PolarHBondContact OD1-N 2.88Å; D222-G226 VanDerWaalsContact O-CA 3.24Å; D222-G226 WeakPolarHBondContact O-CA 3.45Å; D222-G226 PolarHBondContact O-N 2.87Å; D222-A227 PolarHBondContact N-O 2.82Å; D222-L229 HydrophobicContact CB-CD1 4.33Å; D222-L229 HydrophobicContact CB-CD2 4.29Å; D222-L229 HydrophobicContact CB-CG 4.33Å |
| 223 | A | 98 | Very high | 96 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F187 F202 G206 K207 I209 L221 | F187-A223 WeakPolarHBondContact CE2-O 3.33Å; F187-A223 WeakPolarHBondContact CZ-O 3.44Å; F202-A223 HydrophobicContact CD1-CB 4.43Å; F202-A223 HydrophobicContact CE1-CB 4.22Å; G206-A223 VanDerWaalsContact O-CB 3.27Å; G206-A223 WeakPolarHBondContact O-CB 3.47Å; K207-A223 VanDerWaalsContact O-CB 3.31Å; K207-A223 WeakPolarHBondContact O-CB 3.36Å; K207-A223 PolarHBondContact O-N 3.49Å; I209-A223 HydrophobicContact CD1-CB 4.16Å; I209-A223 HydrophobicContact CG1-CB 3.89Å; L221-A223 PolarHBondContact O-N 2.99Å |
| 224 | F | 97.6 | Very high | 95.9 | Very high | 157 Ų | 157 | 46.9 Ų | 46.9 | 69% | 0.689 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -38.9 | -178.5 | -59.3 | -83.6 | 0 | 0 | 0 | 111.9 | K207 D222 | K207-F224 HydrophobicContact CB-CE2 4.38Å; K207-F224 HydrophobicContact CG-CE2 4.25Å; D222-F224 PolarHBondContact O-N 2.95Å; D222-F224 WeakPolarHBondContact OD1-CA 3.32Å; D222-F224 WeakPolarHBondContact OD1-CB 3.5Å; D222-F224 PolarHBondContact OD1-N 3.01Å |
| 225 | K | 97.3 | Very high | 96 | Very high | 167 Ų | 167 | 45.8 Ų | 45.8 | 73% | 0.726 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -20.3 | -174.8 | -62.4 | 176.5 | -176.7 | 169 | 0 | 113.4 | D222 A227 | D222-K225 HydrophobicContact CB-CB 4.3Å; D222-K225 PolarHBondContact OD1-N 2.88Å; K225-A227 PolarHBondContact O-N 2.79Å |
| 226 | G | 96.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | trans | 72.1 | 10.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F187 D222 | F187-G226 VanDerWaalsContact CD1-CA 3.44Å; F187-G226 VanDerWaalsContact CD2-CA 3.41Å; D222-G226 VanDerWaalsContact O-CA 3.24Å; D222-G226 WeakPolarHBondContact O-CA 3.45Å; D222-G226 PolarHBondContact O-N 2.87Å | ||
| 227 | A | 97.3 | Very high | 96.3 | Very high | 48 Ų | 48 | 47 Ų | 47 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | trans | -72.8 | 131.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L221 D222 K225 L229 | L221-A227 CarbonylContact C-O 3.59Å; L221-A227 VanDerWaalsContact CA-O 3.24Å; L221-A227 WeakPolarHBondContact CA-O 3.32Å; D222-A227 PolarHBondContact N-O 2.82Å; K225-A227 PolarHBondContact O-N 2.79Å; A227-L229 PolarHBondContact O-N 2.84Å | ||
| 228 | V | 97.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 39% | 0.394 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 115.6 | 170.4 | 178.4 | 0 | 0 | 0 | 0 | 108 | L189 L221 | L189-V228 HydrophobicContact CD2-CG2 4.08Å; L189-V228 HydrophobicContact CG-CG2 4.4Å; L221-V228 HydrophobicContact CG-CG2 4.21Å |
| 229 | L | 97.7 | Very high | 96.1 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -49.7 | 179.3 | -60.2 | -178.2 | 0 | 0 | 0 | 110.7 | L208 I220 D222 A227 | L208-L229 HydrophobicContact CD2-CD1 3.49Å; L208-L229 VanDerWaalsContact CD2-CD1 3.49Å; I220-L229 HydrophobicContact CG1-CB 4.4Å; I220-L229 PolarHBondContact O-N 2.84Å; D222-L229 HydrophobicContact CB-CD1 4.33Å; D222-L229 HydrophobicContact CB-CD2 4.29Å; D222-L229 HydrophobicContact CB-CG 4.33Å; A227-L229 PolarHBondContact O-N 2.84Å |
| 230 | H | 97.9 | Very high | 96 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150 | -179.6 | -63 | -70.1 | 0 | 0 | 0 | 111.5 | R219 I220 F232 A268 E269 G271 | R219-H230 WeakPolarHBondContact CA-O 3.17Å; I220-H230 HydrophobicContact CD1-CB 3.97Å; I220-H230 HydrophobicContact CG1-CB 3.73Å; I220-H230 PolarHBondContact N-O 3.35Å; I220-H230 PolarHBondContact O-N 2.87Å; H230-F232 HydrophobicContact CB-CD2 4.32Å; H230-F232 HydrophobicContact CB-CE1 3.97Å; H230-F232 HydrophobicContact CB-CE2 3.77Å; H230-F232 HydrophobicContact CB-CZ 3.57Å; H230-A268 PolarHBondContact CD2-O 2.91Å; H230-A268 VanDerWaalsContact CD2-O 3.23Å; H230-E269 PolarHBondContact NE2-O 2.79Å; H230-G271 VanDerWaalsContact CE1-CA 3.48Å; H230-G271 WeakPolarHBondContact CE1-CA 3.3Å; H230-G271 PolarHBondContact CE1-N 2.84Å; H230-G271 WeakPolarHBondContact ND1-CA 3.09Å; H230-G271 PolarHBondContact NE2-N 2.83Å |
| 231 | S | 96.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 112.8 | 168.8 | -63.4 | 0 | 0 | 0 | 0 | 107.6 | L218 R219 | L218-S231 CarbonylContact O-C 3.58Å; L218-S231 WeakPolarHBondContact O-CA 3.32Å; R219-S231 PolarHBondContact NH1-OG 2.97Å |
| 232 | F | 96.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.022 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.9 | -173.1 | -57.8 | -76.2 | 0 | 0 | 0 | 109.6 | A217 L218 I220 H230 Y235 V254 W266 | A217-F232 WeakPolarHBondContact CA-O 3.36Å; A217-F232 WeakPolarHBondContact CB-O 3.48Å; L218-F232 HydrophobicContact CD1-CB 3.98Å; L218-F232 HydrophobicContact CD1-CD2 3.43Å; L218-F232 VanDerWaalsContact CD1-CD2 3.43Å; L218-F232 HydrophobicContact CD1-CE2 4.31Å; L218-F232 HydrophobicContact CD1-CG 4.14Å; L218-F232 HydrophobicContact CG-CB 3.99Å; L218-F232 HydrophobicContact CG-CD2 4.35Å; L218-F232 PolarHBondContact N-O 2.88Å; L218-F232 PolarHBondContact O-N 2.91Å; I220-F232 HydrophobicContact CB-CE2 4.46Å; I220-F232 HydrophobicContact CD1-CE2 3.65Å; I220-F232 HydrophobicContact CD1-CZ 3.85Å; I220-F232 HydrophobicContact CG1-CE2 3.67Å; I220-F232 HydrophobicContact CG1-CZ 4.29Å; I220-F232 HydrophobicContact CG2-CE2 4.02Å; H230-F232 HydrophobicContact CB-CD2 4.32Å; H230-F232 HydrophobicContact CB-CE1 3.97Å; H230-F232 HydrophobicContact CB-CE2 3.77Å; H230-F232 HydrophobicContact CB-CZ 3.57Å; F232-Y235 WeakPolarHBondContact O-CE1 3.24Å; F232-V254 HydrophobicContact CE2-CG2 4.35Å; F232-W266 HydrophobicContact CB-CD2 3.99Å; F232-W266 HydrophobicContact CB-CE3 4.23Å; F232-W266 HydrophobicContact CB-CG 4.39Å; F232-W266 HydrophobicContact CB-CH2 4.42Å; F232-W266 HydrophobicContact CB-CZ2 4.23Å; F232-W266 HydrophobicContact CB-CZ3 4.43Å; F232-W266 HydrophobicContact CD1-CB 3.54Å; F232-W266 AromaticContact CD1-CD1 3.38Å; F232-W266 AromaticContact CD1-CD2 3.82Å; F232-W266 HydrophobicContact CD1-CD2 3.82Å; F232-W266 AromaticContact CD1-CG 3.31Å; F232-W266 HydrophobicContact CD1-CG 3.31Å; F232-W266 AromaticContact CD1-NE1 3.92Å; F232-W266 HydrophobicContact CE1-CB 3.32Å; F232-W266 AromaticContact CE1-CD1 3.88Å; F232-W266 AromaticContact CE1-CG 3.67Å; F232-W266 HydrophobicContact CE1-CG 3.67Å; F232-W266 HydrophobicContact CG-CB 4.34Å; F232-W266 HydrophobicContact CG-CD2 4.1Å; F232-W266 HydrophobicContact CG-CE3 4.45Å; F232-W266 HydrophobicContact CG-CG 4.05Å; F232-W266 HydrophobicContact CZ-CB 4.01Å |
| 233 | G | 94.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | -165.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G216 Y235 W266 | G216-G233 VanDerWaalsContact O-CA 3.31Å; G216-G233 WeakPolarHBondContact O-CA 3.36Å; G233-Y235 VanDerWaalsContact C-N 3.34Å; G233-W266 WeakPolarHBondContact O-CZ2 3.02Å |
| 234 | G | 91.9 | Very high | 95 | Very high | 72 Ų | 72 | 61 Ų | 61 | 74% | 0.742 | 36% | 0.36 | S | S | * | . | trans | 78.8 | 17.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H264 | G234-H264 PolarHBondContact O-CE1 2.95Š| ||
| 235 | Y | 94.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -98.9 | 153.2 | 161.6 | 61.2 | -91.4 | 0 | 0 | 0 | 109.9 | G215 A217 L218 F232 G233 N237 L243 I256 H264 W266 | G215-Y235 PolarHBondContact O-OH 2.83Å; A217-Y235 VanDerWaalsContact CA-OH 3.32Å; A217-Y235 WeakPolarHBondContact CA-OH 3.22Å; A217-Y235 PolarHBondContact N-OH 2.89Å; L218-Y235 HydrophobicContact CD2-CE1 4.18Å; L218-Y235 PolarHBondContact N-OH 2.78Å; F232-Y235 WeakPolarHBondContact O-CE1 3.24Å; G233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-N237 HydrophobicContact CD2-CB 4.12Å; Y235-N237 HydrophobicContact CE2-CB 3.89Å; Y235-N237 PolarHBondContact O-N 3.15Å; Y235-L243 HydrophobicContact CD2-CD1 4.22Å; Y235-L243 HydrophobicContact CE2-CD1 3.97Å; Y235-I256 HydrophobicContact CD1-CG2 4.12Å; Y235-I256 HydrophobicContact CE1-CD1 4.38Å; Y235-I256 HydrophobicContact CE1-CG2 4.35Å; Y235-I256 HydrophobicContact CE2-CD1 4.09Å; Y235-I256 HydrophobicContact CG-CG2 4.24Å; Y235-H264 VanDerWaalsContact CA-CE1 3.42Å; Y235-H264 WeakPolarHBondContact CA-CE1 3.45Å; Y235-W266 AromaticContact CD1-CH2 3.76Å; Y235-W266 HydrophobicContact CD1-CH2 3.76Å; Y235-W266 HydrophobicContact CD1-CZ2 4.38Å; Y235-W266 HydrophobicContact CE1-CH2 4.48Å |
| 236 | N | 93.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | trans | -77.9 | 123.6 | 179.1 | -169.1 | -50.6 | 0 | 0 | 0 | 110.3 | S238 E259 D260 | N236-S238 PolarHBondContact OD1-N 2.88Å; N236-E259 WeakPolarHBondContact O-CB 3.28Å; N236-E259 PolarHBondContact O-N 3.18Å; N236-D260 HydrophobicContact CB-CB 4.24Å | ||
| 237 | N | 95.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | trans | -154.1 | 48.8 | 169 | -164.4 | 21.3 | 0 | 0 | 0 | 110.9 | N214 G215 Y235 K239 G240 V241 L243 | N214-N237 VanDerWaalsContact C-ND2 3.26Å; N214-N237 PolarHBondContact O-ND2 2.91Å; G215-N237 PolarHBondContact O-ND2 2.73Å; Y235-N237 HydrophobicContact CD2-CB 4.12Å; Y235-N237 HydrophobicContact CE2-CB 3.89Å; Y235-N237 PolarHBondContact O-N 3.15Å; N237-K239 VanDerWaalsContact C-N 3.27Å; N237-K239 PolarHBondContact O-N 2.85Å; N237-G240 PolarHBondContact O-N 3.07Å; N237-V241 PolarHBondContact ND2-O 3.02Å; N237-V241 VanDerWaalsContact ND2-O 3.09Å; N237-V241 WeakPolarHBondContact OD1-CB 3.48Å; N237-V241 PolarHBondContact OD1-N 3.47Å; N237-V241 PolarHBondContact OD1-O 2.57Å; N237-L243 HydrophobicContact CB-CD1 3.87Å; N237-L243 VanDerWaalsContact CG-CD1 3.48Å | ||
| 238 | S | 92.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -24.8 | -173 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | N236 G240 E259 | N236-S238 PolarHBondContact OD1-N 2.88Å; S238-G240 VanDerWaalsContact C-N 3.31Å; S238-E259 PolarHBondContact N-OE2 3.31Å |
| 239 | K | 92.3 | Very high | 94.8 | Very high | 166 Ų | 166 | 42.6 Ų | 42.6 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1 | 176.4 | -66.7 | -175.1 | -169.7 | 115 | 0 | 114.2 | N237 V241 E259 | N237-K239 VanDerWaalsContact C-N 3.27Å; N237-K239 PolarHBondContact O-N 2.85Å; K239-V241 HydrophobicContact CB-CG2 4.1Å; K239-E259 WeakPolarHBondContact CB-OE2 3.18Å; K239-E259 WeakPolarHBondContact CD-OE1 3.23Å; K239-E259 VanDerWaalsContact CE-OE1 3.22Å; K239-E259 WeakPolarHBondContact CE-OE1 3.39Å; K239-E259 WeakPolarHBondContact CG-OE1 3.18Å; K239-E259 PolarHBondContact N-OE2 2.97Å; K239-E259 IonicContact NZ-OE1 3.62Å; K239-E259 PolarHBondContact NZ-OE1 2.68Å |
| 240 | G | 93.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | trans | 67.3 | 39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N214 N237 S238 | N214-G240 WeakPolarHBondContact CB-O 3.41Å; N214-G240 WeakPolarHBondContact O-CA 3.48Å; N237-G240 PolarHBondContact O-N 3.07Å; S238-G240 VanDerWaalsContact C-N 3.31Å | ||
| 241 | V | 93.2 | Very high | 94.6 | Very high | 36 Ų | 36 | 39 Ų | 39 | 22% | 0.218 | 25% | 0.25 | C | S | . | . | trans | -69.9 | 145.3 | 179.3 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | N214 N237 K239 L243 E259 P284 T286 | N214-V241 WeakPolarHBondContact CA-O 3.49Å; N237-V241 PolarHBondContact ND2-O 3.02Å; N237-V241 VanDerWaalsContact ND2-O 3.09Å; N237-V241 WeakPolarHBondContact OD1-CB 3.48Å; N237-V241 PolarHBondContact OD1-N 3.47Å; N237-V241 PolarHBondContact OD1-O 2.57Å; K239-V241 HydrophobicContact CB-CG2 4.1Å; V241-L243 HydrophobicContact CB-CD2 4.35Å; V241-L243 HydrophobicContact CG1-CD2 4.2Å; V241-L243 PolarHBondContact O-N 2.92Å; V241-E259 HydrophobicContact CG2-CG 4.27Å; V241-P284 HydrophobicContact CG1-CB 4.16Å; V241-P284 HydrophobicContact CG2-CG 4.46Å; V241-T286 HydrophobicContact CG1-CG2 4.26Å | ||
| 242 | T | 93 | Very high | 94.6 | Very high | 73 Ų | 73 | 39.6 Ų | 39.6 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | trans | -73.7 | 108.2 | 169.5 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | T198 | T198-T242 HydrophobicContact CG2-CG2 3.78Š| ||
| 243 | L | 93.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -108.6 | 137.2 | 177.1 | -56.4 | 170.4 | 0 | 0 | 0 | 108.7 | Y235 N237 V241 I256 G257 I285 | Y235-L243 HydrophobicContact CD2-CD1 4.22Å; Y235-L243 HydrophobicContact CE2-CD1 3.97Å; N237-L243 HydrophobicContact CB-CD1 3.87Å; N237-L243 VanDerWaalsContact CG-CD1 3.48Å; V241-L243 HydrophobicContact CB-CD2 4.35Å; V241-L243 HydrophobicContact CG1-CD2 4.2Å; V241-L243 PolarHBondContact O-N 2.92Å; L243-I256 HydrophobicContact CB-CD1 4.01Å; L243-I256 HydrophobicContact CB-CG1 4.19Å; L243-G257 WeakPolarHBondContact CD1-O 3.35Å; L243-I285 WeakPolarHBondContact CD2-O 3.47Å | ||
| 244 | E | 91.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | trans | -93.8 | 126.5 | 173.4 | -167.7 | 177.9 | 168.2 | 0 | 0 | 110.2 | K201 T286 Q289 | K201-E244 WeakPolarHBondContact CE-OE1 3.34Å; K201-E244 IonicContact NZ-OE1 2.76Å; K201-E244 PolarHBondContact NZ-OE1 3.4Å; E244-T286 VanDerWaalsContact CB-O 3.29Å; E244-T286 WeakPolarHBondContact CB-O 3.22Å; E244-T286 PolarHBondContact N-O 3.12Å; E244-Q289 PolarHBondContact OE1-NE2 3.1Å | ||
| 245 | A | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 153.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | L210 S212 L218 M255 I256 | L210-A245 HydrophobicContact CD1-CB 4.27Å; L210-A245 HydrophobicContact CD2-CB 3.86Å; L210-A245 HydrophobicContact CG-CB 4.41Å; S212-A245 WeakPolarHBondContact OG-CB 3.41Å; S212-A245 PolarHBondContact OG-N 2.8Å; L218-A245 HydrophobicContact CD2-CB 4.07Å; A245-M255 CarbonylContact C-O 3.55Å; A245-M255 WeakPolarHBondContact CA-O 3.38Å; A245-M255 WeakPolarHBondContact CB-O 3.21Å; A245-I256 HydrophobicContact CB-CB 4.01Å; A245-I256 HydrophobicContact CB-CD1 4.11Å; A245-I256 HydrophobicContact CB-CG1 3.86Å |
| 246 | S | 96.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.7 | 175.4 | 53.9 | 0 | 0 | 0 | 0 | 112 | V254 M255 L288 | S246-V254 WeakPolarHBondContact O-CA 3.42Å; S246-M255 PolarHBondContact N-O 3.4Å; S246-M255 PolarHBondContact O-N 3.15Å; S246-L288 WeakPolarHBondContact CB-O 3.46Å; S246-L288 VanDerWaalsContact OG-CD2 3.26Å; S246-L288 WeakPolarHBondContact OG-CD2 3.07Å; S246-L288 PolarHBondContact OG-O 3.21Å |
| 247 | F | 97.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 152.9 | 165.4 | -72.6 | -76.1 | 0 | 0 | 0 | 110.3 | L208 L210 I220 F253 V254 A268 | L208-F247 HydrophobicContact CB-CE1 4.34Å; L208-F247 HydrophobicContact CB-CZ 3.78Å; L208-F247 HydrophobicContact CD1-CE1 3.96Å; L208-F247 HydrophobicContact CD1-CZ 4.24Å; L210-F247 HydrophobicContact CB-CD2 4.14Å; L210-F247 HydrophobicContact CB-CE2 3.31Å; L210-F247 HydrophobicContact CB-CZ 3.66Å; L210-F247 HydrophobicContact CD2-CD2 4.15Å; L210-F247 HydrophobicContact CD2-CE2 4.11Å; L210-F247 HydrophobicContact CG-CE2 4.34Å; I220-F247 HydrophobicContact CG2-CE1 4.31Å; I220-F247 HydrophobicContact CG2-CZ 4.05Å; F247-F253 CarbonylContact C-O 3.58Å; F247-F253 VanDerWaalsContact CA-O 3.3Å; F247-F253 WeakPolarHBondContact CA-O 3.47Å; F247-V254 HydrophobicContact CD1-CG2 3.65Å; F247-V254 HydrophobicContact CE1-CG2 3.47Å; F247-V254 VanDerWaalsContact CE1-CG2 3.47Å; F247-V254 HydrophobicContact CZ-CG2 4.33Å; F247-A268 HydrophobicContact CE1-CB 4.43Å |
| 248 | T | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -66.5 | 158.2 | 159.7 | 53 | 0 | 0 | 0 | 0 | 111 | L3 L8 D250 S251 Q252 F253 M255 F290 | L3-T248 VanDerWaalsContact CD1-CB 3.47Å; L3-T248 HydrophobicContact CD1-CG2 3.65Å; L8-T248 HydrophobicContact CD2-CG2 4.42Å; T248-D250 WeakPolarHBondContact CB-OD1 3.18Å; T248-D250 PolarHBondContact O-N 3.06Å; T248-D250 VanDerWaalsContact O-N 3.1Å; T248-D250 PolarHBondContact OG1-OD1 3.41Å; T248-S251 PolarHBondContact O-N 3.16Å; T248-Q252 PolarHBondContact OG1-N 2.8Å; T248-F253 HydrophobicContact CG2-CB 3.69Å; T248-F253 HydrophobicContact CG2-CD2 4.26Å; T248-F253 HydrophobicContact CG2-CG 4.43Å; T248-F253 PolarHBondContact N-O 3.03Å; T248-F253 PolarHBondContact OG1-N 2.84Å; T248-F253 PolarHBondContact OG1-O 2.51Å; T248-M255 HydrophobicContact CG2-SD 4.26Å; T248-F290 HydrophobicContact CG2-CD2 3.8Å; T248-F290 HydrophobicContact CG2-CE2 3.71Å; T248-F290 HydrophobicContact CG2-CZ 4.4Å | ||
| 249 | P | 95.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 25.9 Ų | 25.9 | 28% | 0.279 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.8 | -174.5 | -25.8 | 36.4 | 0 | 0 | 0 | 114.3 | N204 S251 F290 N291 | N204-P249 VanDerWaalsContact ND2-CA 3.33Å; N204-P249 WeakPolarHBondContact ND2-CA 3.42Å; N204-P249 PolarHBondContact ND2-O 2.81Å; P249-S251 VanDerWaalsContact C-N 3.34Å; P249-F290 HydrophobicContact CG-CB 3.88Å; P249-F290 HydrophobicContact CG-CD1 4.02Å; P249-F290 HydrophobicContact CG-CG 4.21Å; P249-N291 WeakPolarHBondContact CG-O 3.43Å |
| 250 | D | 95.3 | Very high | 95.8 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.2 | 176 | 62.5 | 2.4 | 0 | 0 | 0 | 113.9 | L3 T248 Q252 | L3-D250 WeakPolarHBondContact CB-OD2 3.12Å; L3-D250 PolarHBondContact N-OD2 3.28Å; T248-D250 WeakPolarHBondContact CB-OD1 3.18Å; T248-D250 PolarHBondContact O-N 3.06Å; T248-D250 VanDerWaalsContact O-N 3.1Å; T248-D250 PolarHBondContact OG1-OD1 3.41Å; D250-Q252 HydrophobicContact CB-CG 4.32Å; D250-Q252 PolarHBondContact O-N 2.91Å; D250-Q252 VanDerWaalsContact O-N 3.13Å; D250-Q252 PolarHBondContact OD1-N 3.38Å |
| 251 | S | 96.6 | Very high | 96 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 63.5 | 6.8 | -179.2 | -52.4 | 0 | 0 | 0 | 0 | 115.7 | N204 D205 T248 P249 | N204-S251 PolarHBondContact N-OG 3.35Å; D205-S251 PolarHBondContact N-OG 3.06Å; T248-S251 PolarHBondContact O-N 3.16Å; P249-S251 VanDerWaalsContact C-N 3.34Å |
| 252 | Q | 96.8 | Very high | 96.1 | Very high | 70 Ų | 70 | 20.9 Ų | 20.9 | 33% | 0.327 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -82.9 | -21.8 | -173.2 | -63.7 | -169.7 | 4.9 | 0 | 0 | 113.7 | T248 D250 A268 | T248-Q252 PolarHBondContact OG1-N 2.8Å; D250-Q252 HydrophobicContact CB-CG 4.32Å; D250-Q252 PolarHBondContact O-N 2.91Å; D250-Q252 VanDerWaalsContact O-N 3.13Å; D250-Q252 PolarHBondContact OD1-N 3.38Å; Q252-A268 WeakPolarHBondContact O-CB 3.19Å; Q252-A268 PolarHBondContact O-N 2.81Å |
| 253 | F | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.9 | -175.5 | -53.3 | -91.9 | 0 | 0 | 0 | 111.8 | L3 D5 L8 F247 T248 V265 W266 N267 V274 | L3-F253 HydrophobicContact CB-CD2 4.16Å; L3-F253 HydrophobicContact CB-CE2 3.86Å; D5-F253 VanDerWaalsContact OD1-CE1 3.31Å; D5-F253 WeakPolarHBondContact OD1-CE1 3.2Å; D5-F253 WeakPolarHBondContact OD1-CZ 3.35Å; L8-F253 HydrophobicContact CD1-CB 3.99Å; L8-F253 HydrophobicContact CD1-CD1 3.26Å; L8-F253 HydrophobicContact CD1-CD2 3.46Å; L8-F253 VanDerWaalsContact CD1-CD2 3.46Å; L8-F253 HydrophobicContact CD1-CE1 3.44Å; L8-F253 VanDerWaalsContact CD1-CE1 3.44Å; L8-F253 HydrophobicContact CD1-CE2 3.63Å; L8-F253 HydrophobicContact CD1-CG 3.27Å; L8-F253 HydrophobicContact CD1-CZ 3.61Å; F247-F253 CarbonylContact C-O 3.58Å; F247-F253 VanDerWaalsContact CA-O 3.3Å; F247-F253 WeakPolarHBondContact CA-O 3.47Å; T248-F253 HydrophobicContact CG2-CB 3.69Å; T248-F253 HydrophobicContact CG2-CD2 4.26Å; T248-F253 HydrophobicContact CG2-CG 4.43Å; T248-F253 PolarHBondContact N-O 3.03Å; T248-F253 PolarHBondContact OG1-N 2.84Å; T248-F253 PolarHBondContact OG1-O 2.51Å; F253-V265 HydrophobicContact CB-CG1 4.1Å; F253-V265 HydrophobicContact CD1-CG1 4.5Å; F253-W266 CarbonylContact C-O 3.54Å; F253-W266 WeakPolarHBondContact CA-O 3.24Å; F253-W266 WeakPolarHBondContact CB-O 3.33Å; F253-N267 HydrophobicContact CD1-CB 4.08Å; F253-N267 HydrophobicContact CE1-CB 4.05Å; F253-V274 HydrophobicContact CD1-CG2 3.94Å; F253-V274 HydrophobicContact CE1-CG1 4.28Å; F253-V274 HydrophobicContact CE1-CG2 3.82Å |
| 254 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.6 | 172.9 | 180 | 0 | 0 | 0 | 0 | 108.5 | L210 L218 I220 F232 S246 F247 V265 W266 A268 | L210-V254 HydrophobicContact CD1-CG1 4Å; L210-V254 HydrophobicContact CD2-CG1 4.13Å; L218-V254 HydrophobicContact CD1-CG1 3.76Å; L218-V254 HydrophobicContact CD2-CG1 4.48Å; I220-V254 HydrophobicContact CG2-CG2 4.02Å; F232-V254 HydrophobicContact CE2-CG2 4.35Å; S246-V254 WeakPolarHBondContact O-CA 3.42Å; F247-V254 HydrophobicContact CD1-CG2 3.65Å; F247-V254 HydrophobicContact CE1-CG2 3.47Å; F247-V254 VanDerWaalsContact CE1-CG2 3.47Å; F247-V254 HydrophobicContact CZ-CG2 4.33Å; V254-V265 WeakPolarHBondContact O-CA 3.47Å; V254-W266 PolarHBondContact N-O 3.1Å; V254-W266 PolarHBondContact O-N 3.01Å; V254-A268 HydrophobicContact CG2-CB 4.26Å |
| 255 | M | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.7 | 178.6 | -59.6 | 177.7 | 71.1 | 0 | 0 | 110.6 | A245 S246 T248 I263 H264 V265 L288 F290 F297 | A245-M255 CarbonylContact C-O 3.55Å; A245-M255 WeakPolarHBondContact CA-O 3.38Å; A245-M255 WeakPolarHBondContact CB-O 3.21Å; S246-M255 PolarHBondContact N-O 3.4Å; S246-M255 PolarHBondContact O-N 3.15Å; T248-M255 HydrophobicContact CG2-SD 4.26Å; M255-I263 HydrophobicContact CE-CG2 3.77Å; M255-H264 WeakPolarHBondContact CA-O 3.46Å; M255-V265 HydrophobicContact CE-CG2 4.11Å; M255-V265 HydrophobicContact CG-CB 4.4Å; M255-V265 HydrophobicContact CG-CG1 3.91Å; M255-V265 HydrophobicContact CG-CG2 3.96Å; M255-L288 HydrophobicContact CB-CD1 4.46Å; M255-L288 HydrophobicContact CB-CD2 3.49Å; M255-L288 VanDerWaalsContact CB-CD2 3.49Å; M255-L288 HydrophobicContact CE-CD1 4.29Å; M255-L288 HydrophobicContact CE-CD2 4.05Å; M255-L288 HydrophobicContact CG-CD2 4.42Å; M255-L288 HydrophobicContact SD-CD2 4.1Å; M255-F290 HydrophobicContact CE-CD2 4.41Å; M255-F290 HydrophobicContact CE-CE2 4.05Å; M255-F290 HydrophobicContact SD-CD2 3.34Å; M255-F290 WeakPolarHBondContact SD-CD2 3.43Å; M255-F290 HydrophobicContact SD-CE2 3.24Å; M255-F290 WeakPolarHBondContact SD-CE2 3.27Å; M255-F297 HydrophobicContact CE-CD1 3.96Å; M255-F297 HydrophobicContact CE-CD2 4.12Å; M255-F297 HydrophobicContact CE-CE1 3.74Å; M255-F297 HydrophobicContact CE-CE2 3.95Å; M255-F297 HydrophobicContact CE-CG 4.15Å; M255-F297 HydrophobicContact CE-CZ 3.75Å |
| 256 | I | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.3 | 171.3 | -159.7 | 177.4 | 0 | 0 | 0 | 110 | L218 Y235 L243 A245 I263 H264 W266 | L218-I256 HydrophobicContact CD2-CB 3.72Å; L218-I256 HydrophobicContact CD2-CD1 3.52Å; L218-I256 HydrophobicContact CD2-CG1 4.12Å; L218-I256 HydrophobicContact CD2-CG2 3.8Å; Y235-I256 HydrophobicContact CD1-CG2 4.12Å; Y235-I256 HydrophobicContact CE1-CD1 4.38Å; Y235-I256 HydrophobicContact CE1-CG2 4.35Å; Y235-I256 HydrophobicContact CE2-CD1 4.09Å; Y235-I256 HydrophobicContact CG-CG2 4.24Å; L243-I256 HydrophobicContact CB-CD1 4.01Å; L243-I256 HydrophobicContact CB-CG1 4.19Å; A245-I256 HydrophobicContact CB-CB 4.01Å; A245-I256 HydrophobicContact CB-CD1 4.11Å; A245-I256 HydrophobicContact CB-CG1 3.86Å; I256-I263 WeakPolarHBondContact O-CA 3.37Å; I256-H264 HydrophobicContact CG2-CB 4.24Å; I256-H264 PolarHBondContact N-O 2.76Å; I256-H264 PolarHBondContact O-N 3.09Å; I256-W266 HydrophobicContact CG2-CH2 3.93Å; I256-W266 HydrophobicContact CG2-CZ3 3.66Å |
| 257 | G | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 164.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L243 K262 | L243-G257 WeakPolarHBondContact CD1-O 3.35Å; G257-K262 CarbonylContact C-O 3.57Å; G257-K262 WeakPolarHBondContact CA-O 3.18Å |
| 258 | S | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -129.1 | 164.3 | 174.6 | 64 | 0 | 0 | 0 | 0 | 111.6 | D260 G261 K262 I285 | S258-D260 VanDerWaalsContact CB-OD1 3.22Å; S258-D260 WeakPolarHBondContact CB-OD1 3.29Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD1 3.23Å; S258-G261 PolarHBondContact O-N 3.37Å; S258-K262 PolarHBondContact N-O 2.58Å; S258-K262 WeakPolarHBondContact OG-CA 3.41Å; S258-K262 WeakPolarHBondContact OG-CB 3.47Å; S258-K262 PolarHBondContact OG-N 2.77Å; S258-K262 PolarHBondContact OG-O 3.49Å; S258-I285 PolarHBondContact O-N 2.78Å; S258-I285 VanDerWaalsContact O-N 3.1Å | ||
| 259 | E | 95.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.5 | 176.3 | -166.1 | -170.9 | 142.7 | 0 | 0 | 112.5 | N236 S238 K239 V241 G261 P284 | N236-E259 WeakPolarHBondContact O-CB 3.28Å; N236-E259 PolarHBondContact O-N 3.18Å; S238-E259 PolarHBondContact N-OE2 3.31Å; K239-E259 WeakPolarHBondContact CB-OE2 3.18Å; K239-E259 WeakPolarHBondContact CD-OE1 3.23Å; K239-E259 VanDerWaalsContact CE-OE1 3.22Å; K239-E259 WeakPolarHBondContact CE-OE1 3.39Å; K239-E259 WeakPolarHBondContact CG-OE1 3.18Å; K239-E259 PolarHBondContact N-OE2 2.97Å; K239-E259 IonicContact NZ-OE1 3.62Å; K239-E259 PolarHBondContact NZ-OE1 2.68Å; V241-E259 HydrophobicContact CG2-CG 4.27Å; E259-G261 VanDerWaalsContact C-N 3.25Å; E259-G261 PolarHBondContact O-N 3.06Å; E259-P284 HydrophobicContact CG-CB 4.5Å; E259-P284 HydrophobicContact CG-CG 3.98Å |
| 260 | D | 95.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 26.6 Ų | 26.6 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 16.1 | 178.3 | 73.8 | -38.4 | 0 | 0 | 0 | 113.9 | N236 S258 K262 | N236-D260 HydrophobicContact CB-CB 4.24Å; S258-D260 VanDerWaalsContact CB-OD1 3.22Å; S258-D260 WeakPolarHBondContact CB-OD1 3.29Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD1 3.23Å; D260-K262 PolarHBondContact O-N 2.83Å; D260-K262 IonicContact OD2-NZ 2.7Å; D260-K262 PolarHBondContact OD2-NZ 3.49Å |
| 261 | G | 96.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 76.8 | 19 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S258 E259 G283 | S258-G261 PolarHBondContact O-N 3.37Å; E259-G261 VanDerWaalsContact C-N 3.25Å; E259-G261 PolarHBondContact O-N 3.06Å; G261-G283 WeakPolarHBondContact CA-O 3.43Å |
| 262 | K | 97.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 25% | 0.252 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 164.2 | 179.3 | -60.1 | -171.5 | -172.8 | 120.6 | 0 | 111.7 | G257 S258 D260 L276 L277 D278 I285 | G257-K262 CarbonylContact C-O 3.57Å; G257-K262 WeakPolarHBondContact CA-O 3.18Å; S258-K262 PolarHBondContact N-O 2.58Å; S258-K262 WeakPolarHBondContact OG-CA 3.41Å; S258-K262 WeakPolarHBondContact OG-CB 3.47Å; S258-K262 PolarHBondContact OG-N 2.77Å; S258-K262 PolarHBondContact OG-O 3.49Å; D260-K262 PolarHBondContact O-N 2.83Å; D260-K262 IonicContact OD2-NZ 2.7Å; D260-K262 PolarHBondContact OD2-NZ 3.49Å; K262-L276 HydrophobicContact CB-CD1 3.81Å; K262-L276 HydrophobicContact CD-CD1 3.75Å; K262-L276 HydrophobicContact CD-CD2 4.08Å; K262-L276 HydrophobicContact CD-CG 4.04Å; K262-L276 HydrophobicContact CG-CD1 4.41Å; K262-L277 WeakPolarHBondContact CA-O 3.38Å; K262-D278 HydrophobicContact CG-CB 4.49Å; K262-I285 WeakPolarHBondContact O-CD1 3.31Å |
| 263 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.3 | 176 | -59.1 | 169.8 | 0 | 0 | 0 | 108 | M255 I256 V265 L276 L277 I285 L288 F297 W307 | M255-I263 HydrophobicContact CE-CG2 3.77Å; I256-I263 WeakPolarHBondContact O-CA 3.37Å; I263-V265 HydrophobicContact CG2-CG2 4.21Å; I263-L276 CarbonylContact O-C 3.58Å; I263-L276 WeakPolarHBondContact O-CA 3.47Å; I263-L277 HydrophobicContact CB-CB 4.15Å; I263-L277 HydrophobicContact CG2-CD1 4.46Å; I263-L277 PolarHBondContact N-O 2.86Å; I263-L277 PolarHBondContact O-N 3.29Å; I263-I285 HydrophobicContact CD1-CD1 4.21Å; I263-I285 HydrophobicContact CG1-CD1 3.54Å; I263-L288 HydrophobicContact CB-CD1 4.16Å; I263-L288 HydrophobicContact CD1-CD1 3.62Å; I263-L288 HydrophobicContact CG1-CD1 3.67Å; I263-L288 HydrophobicContact CG2-CD1 3.46Å; I263-L288 VanDerWaalsContact CG2-CD1 3.46Å; I263-F297 HydrophobicContact CD1-CE2 3.53Å; I263-F297 HydrophobicContact CD1-CZ 3.96Å; I263-W307 HydrophobicContact CD1-CH2 4.05Å; I263-W307 HydrophobicContact CD1-CZ2 3.46Å; I263-W307 VanDerWaalsContact CD1-CZ2 3.46Å; I263-W307 HydrophobicContact CG1-CZ2 4.49Å |
| 264 | H | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137.9 | 176.3 | -69.1 | -131.5 | 0 | 0 | 0 | 109.4 | G234 Y235 M255 I256 W266 K273 L276 | G234-H264 PolarHBondContact O-CE1 2.95Å; Y235-H264 VanDerWaalsContact CA-CE1 3.42Å; Y235-H264 WeakPolarHBondContact CA-CE1 3.45Å; M255-H264 WeakPolarHBondContact CA-O 3.46Å; I256-H264 HydrophobicContact CG2-CB 4.24Å; I256-H264 PolarHBondContact N-O 2.76Å; I256-H264 PolarHBondContact O-N 3.09Å; H264-W266 HydrophobicContact CB-CE3 4.24Å; H264-W266 HydrophobicContact CB-CH2 3.13Å; H264-W266 HydrophobicContact CB-CZ2 3.79Å; H264-W266 HydrophobicContact CB-CZ3 3.39Å; H264-W266 AromaticContact CG-CH2 3.91Å; H264-W266 AromaticContact ND1-CH2 3.99Å; H264-K273 PolarHBondContact CE1-NZ 3.09Å; H264-K273 WeakPolarHBondContact ND1-CE 3.32Å; H264-K273 PolarHBondContact ND1-NZ 2.95Å; H264-L276 VanDerWaalsContact CD2-CD1 3.45Å; H264-L276 WeakPolarHBondContact CD2-CD1 3.05Å; H264-L276 VanDerWaalsContact NE2-CD1 3.28Å; H264-L276 WeakPolarHBondContact NE2-CD1 3.34Å |
| 265 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.3 | -178.4 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | L8 F253 V254 M255 I263 V274 A275 L277 | L8-V265 HydrophobicContact CD1-CG1 3.94Å; L8-V265 HydrophobicContact CD2-CG1 4.39Å; F253-V265 HydrophobicContact CB-CG1 4.1Å; F253-V265 HydrophobicContact CD1-CG1 4.5Å; V254-V265 WeakPolarHBondContact O-CA 3.47Å; M255-V265 HydrophobicContact CE-CG2 4.11Å; M255-V265 HydrophobicContact CG-CB 4.4Å; M255-V265 HydrophobicContact CG-CG1 3.91Å; M255-V265 HydrophobicContact CG-CG2 3.96Å; I263-V265 HydrophobicContact CG2-CG2 4.21Å; V265-V274 HydrophobicContact CG1-CB 4.46Å; V265-V274 PolarHBondContact O-N 2.82Å; V265-A275 HydrophobicContact CB-CB 4.03Å; V265-A275 HydrophobicContact CG2-CB 4.02Å; V265-A275 PolarHBondContact N-O 3.05Å; V265-A275 PolarHBondContact O-N 3.16Å; V265-L277 HydrophobicContact CG2-CD1 4.36Å |
| 266 | W | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.045 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.2 | 174.1 | -61 | -103.1 | 0 | 0 | 0 | 111 | L218 F232 G233 Y235 F253 V254 I256 H264 M272 K273 | L218-W266 HydrophobicContact CD2-CZ3 4.36Å; F232-W266 HydrophobicContact CB-CD2 3.99Å; F232-W266 HydrophobicContact CB-CE3 4.23Å; F232-W266 HydrophobicContact CB-CG 4.39Å; F232-W266 HydrophobicContact CB-CH2 4.42Å; F232-W266 HydrophobicContact CB-CZ2 4.23Å; F232-W266 HydrophobicContact CB-CZ3 4.43Å; F232-W266 HydrophobicContact CD1-CB 3.54Å; F232-W266 AromaticContact CD1-CD1 3.38Å; F232-W266 AromaticContact CD1-CD2 3.82Å; F232-W266 HydrophobicContact CD1-CD2 3.82Å; F232-W266 AromaticContact CD1-CG 3.31Å; F232-W266 HydrophobicContact CD1-CG 3.31Å; F232-W266 AromaticContact CD1-NE1 3.92Å; F232-W266 HydrophobicContact CE1-CB 3.32Å; F232-W266 AromaticContact CE1-CD1 3.88Å; F232-W266 AromaticContact CE1-CG 3.67Å; F232-W266 HydrophobicContact CE1-CG 3.67Å; F232-W266 HydrophobicContact CG-CB 4.34Å; F232-W266 HydrophobicContact CG-CD2 4.1Å; F232-W266 HydrophobicContact CG-CE3 4.45Å; F232-W266 HydrophobicContact CG-CG 4.05Å; F232-W266 HydrophobicContact CZ-CB 4.01Å; G233-W266 WeakPolarHBondContact O-CZ2 3.02Å; Y235-W266 AromaticContact CD1-CH2 3.76Å; Y235-W266 HydrophobicContact CD1-CH2 3.76Å; Y235-W266 HydrophobicContact CD1-CZ2 4.38Å; Y235-W266 HydrophobicContact CE1-CH2 4.48Å; F253-W266 CarbonylContact C-O 3.54Å; F253-W266 WeakPolarHBondContact CA-O 3.24Å; F253-W266 WeakPolarHBondContact CB-O 3.33Å; V254-W266 PolarHBondContact N-O 3.1Å; V254-W266 PolarHBondContact O-N 3.01Å; I256-W266 HydrophobicContact CG2-CH2 3.93Å; I256-W266 HydrophobicContact CG2-CZ3 3.66Å; H264-W266 HydrophobicContact CB-CE3 4.24Å; H264-W266 HydrophobicContact CB-CH2 3.13Å; H264-W266 HydrophobicContact CB-CZ2 3.79Å; H264-W266 HydrophobicContact CB-CZ3 3.39Å; H264-W266 AromaticContact CG-CH2 3.91Å; H264-W266 AromaticContact ND1-CH2 3.99Å; W266-M272 CarbonylContact C-O 3.59Å; W266-M272 VanDerWaalsContact CA-O 3.27Å; W266-M272 WeakPolarHBondContact CA-O 3.16Å; W266-K273 HydrophobicContact CG-CB 4.48Å |
| 267 | N | 98.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.8 | 168.5 | 177.6 | -74.9 | 0 | 0 | 0 | 109.2 | F253 E269 S270 G271 M272 V274 | F253-N267 HydrophobicContact CD1-CB 4.08Å; F253-N267 HydrophobicContact CE1-CB 4.05Å; N267-E269 VanDerWaalsContact C-N 3.34Å; N267-E269 PolarHBondContact O-N 3.37Å; N267-E269 PolarHBondContact OD1-N 3Å; N267-E269 VanDerWaalsContact OD1-N 3.1Å; N267-S270 WeakPolarHBondContact CB-OG 3.28Å; N267-S270 VanDerWaalsContact CG-OG 3.29Å; N267-S270 PolarHBondContact OD1-N 3.4Å; N267-S270 PolarHBondContact OD1-OG 3.29Å; N267-G271 WeakPolarHBondContact O-CA 3.4Å; N267-G271 PolarHBondContact O-N 3.33Å; N267-M272 PolarHBondContact N-O 2.93Å; N267-V274 HydrophobicContact CB-CG2 3.82Å |
| 268 | A | 97.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -26.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L208 I220 H230 F247 Q252 V254 | L208-A268 HydrophobicContact CD1-CB 4.11Å; I220-A268 HydrophobicContact CD1-CB 4.24Å; I220-A268 WeakPolarHBondContact CD1-O 3.48Å; H230-A268 PolarHBondContact CD2-O 2.91Å; H230-A268 VanDerWaalsContact CD2-O 3.23Å; F247-A268 HydrophobicContact CE1-CB 4.43Å; Q252-A268 WeakPolarHBondContact O-CB 3.19Å; Q252-A268 PolarHBondContact O-N 2.81Å; V254-A268 HydrophobicContact CG2-CB 4.26Å |
| 269 | E | 96.3 | Very high | 97.1 | Very high | 174 Ų | 174 | 41 Ų | 41 | 81% | 0.813 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -50.4 | -179.5 | -178.4 | 176.8 | -172.3 | 0 | 0 | 111.7 | H230 N267 | H230-E269 PolarHBondContact NE2-O 2.79Å; N267-E269 VanDerWaalsContact C-N 3.34Å; N267-E269 PolarHBondContact O-N 3.37Å; N267-E269 PolarHBondContact OD1-N 3Å; N267-E269 VanDerWaalsContact OD1-N 3.1Å |
| 270 | S | 96.9 | Very high | 97 | Very high | 65 Ų | 65 | 47.7 Ų | 47.7 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -21.1 | -175.1 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | N267 M272 | N267-S270 WeakPolarHBondContact CB-OG 3.28Å; N267-S270 VanDerWaalsContact CG-OG 3.29Å; N267-S270 PolarHBondContact OD1-N 3.4Å; N267-S270 PolarHBondContact OD1-OG 3.29Å; S270-M272 PolarHBondContact O-N 3.45Å; S270-M272 PolarHBondContact OG-N 2.83Å |
| 271 | G | 96.6 | Very high | 97 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | 81.4 | -4.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H230 N267 | H230-G271 VanDerWaalsContact CE1-CA 3.48Å; H230-G271 WeakPolarHBondContact CE1-CA 3.3Å; H230-G271 PolarHBondContact CE1-N 2.84Å; H230-G271 WeakPolarHBondContact ND1-CA 3.09Å; H230-G271 PolarHBondContact NE2-N 2.83Å; N267-G271 WeakPolarHBondContact O-CA 3.4Å; N267-G271 PolarHBondContact O-N 3.33Å | ||
| 272 | M | 97.4 | Very high | 96.9 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 64% | 0.635 | 26% | 0.263 | S | S | * | . | trans | -78.6 | 140.7 | -170.7 | -65.7 | -62.5 | -70.8 | 0 | 0 | 112.4 | W266 N267 S270 V274 | W266-M272 CarbonylContact C-O 3.59Å; W266-M272 VanDerWaalsContact CA-O 3.27Å; W266-M272 WeakPolarHBondContact CA-O 3.16Å; N267-M272 PolarHBondContact N-O 2.93Å; S270-M272 PolarHBondContact O-N 3.45Å; S270-M272 PolarHBondContact OG-N 2.83Å; M272-V274 PolarHBondContact O-N 2.8Å | ||
| 273 | K | 97.8 | Very high | 96.8 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 123.4 | 174.8 | -166.9 | 176 | -175.5 | -178.3 | 0 | 110.1 | H264 W266 | H264-K273 PolarHBondContact CE1-NZ 3.09Å; H264-K273 WeakPolarHBondContact ND1-CE 3.32Å; H264-K273 PolarHBondContact ND1-NZ 2.95Å; W266-K273 HydrophobicContact CG-CB 4.48Å |
| 274 | V | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -47.9 | -174.4 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | D5 L8 R9 F253 V265 N267 M272 | D5-V274 HydrophobicContact CB-CG1 3.88Å; L8-V274 HydrophobicContact CB-CG1 4.13Å; L8-V274 HydrophobicContact CD1-CG1 4.08Å; R9-V274 PolarHBondContact NE-O 3Å; R9-V274 PolarHBondContact NH1-O 3.34Å; R9-V274 PolarHBondContact NH2-O 2.73Å; F253-V274 HydrophobicContact CD1-CG2 3.94Å; F253-V274 HydrophobicContact CE1-CG1 4.28Å; F253-V274 HydrophobicContact CE1-CG2 3.82Å; V265-V274 HydrophobicContact CG1-CB 4.46Å; V265-V274 PolarHBondContact O-N 2.82Å; N267-V274 HydrophobicContact CB-CG2 3.82Å; M272-V274 PolarHBondContact O-N 2.8Å |
| 275 | A | 97.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R9 V265 L277 | R9-A275 HydrophobicContact CG-CB 4.2Å; V265-A275 HydrophobicContact CB-CB 4.03Å; V265-A275 HydrophobicContact CG2-CB 4.02Å; V265-A275 PolarHBondContact N-O 3.05Å; V265-A275 PolarHBondContact O-N 3.16Å; A275-L277 HydrophobicContact CB-CD2 3.94Å; A275-L277 HydrophobicContact CB-CG 4.27Å |
| 276 | L | 97.9 | Very high | 96.4 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 104.8 | 164.7 | 178.2 | 62.9 | 0 | 0 | 0 | 106.6 | K262 I263 H264 | K262-L276 HydrophobicContact CB-CD1 3.81Å; K262-L276 HydrophobicContact CD-CD1 3.75Å; K262-L276 HydrophobicContact CD-CD2 4.08Å; K262-L276 HydrophobicContact CD-CG 4.04Å; K262-L276 HydrophobicContact CG-CD1 4.41Å; I263-L276 CarbonylContact O-C 3.58Å; I263-L276 WeakPolarHBondContact O-CA 3.47Å; H264-L276 VanDerWaalsContact CD2-CD1 3.45Å; H264-L276 WeakPolarHBondContact CD2-CD1 3.05Å; H264-L276 VanDerWaalsContact NE2-CD1 3.28Å; H264-L276 WeakPolarHBondContact NE2-CD1 3.34Å |
| 277 | L | 98 | Very high | 96.2 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.1 | -177.2 | -46.5 | 174.5 | 0 | 0 | 0 | 109.1 | F11 K262 I263 V265 A275 F297 W307 | F11-L277 HydrophobicContact CB-CD1 4.01Å; K262-L277 WeakPolarHBondContact CA-O 3.38Å; I263-L277 HydrophobicContact CB-CB 4.15Å; I263-L277 HydrophobicContact CG2-CD1 4.46Å; I263-L277 PolarHBondContact N-O 2.86Å; I263-L277 PolarHBondContact O-N 3.29Å; V265-L277 HydrophobicContact CG2-CD1 4.36Å; A275-L277 HydrophobicContact CB-CD2 3.94Å; A275-L277 HydrophobicContact CB-CG 4.27Å; L277-F297 HydrophobicContact CD1-CE1 3.98Å; L277-F297 HydrophobicContact CD1-CZ 3.69Å; L277-W307 HydrophobicContact CB-CH2 3.85Å; L277-W307 HydrophobicContact CB-CZ3 3.73Å; L277-W307 HydrophobicContact CD1-CZ3 4.41Å |
| 278 | D | 96.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 106.5 | 178 | -177.7 | -4.3 | 0 | 0 | 0 | 109.2 | K262 K280 | K262-D278 HydrophobicContact CG-CB 4.49Å; D278-K280 WeakPolarHBondContact OD1-CD 3.45Å; D278-K280 PolarHBondContact OD1-N 2.9Å; D278-K280 IonicContact OD1-NZ 3.99Å; D278-K280 IonicContact OD2-NZ 3.95Å; D278-K280 PolarHBondContact OD2-NZ 3.37Å |
| 279 | G | 91.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | trans | -96.8 | 6.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V13 H281 W307 | V13-G279 VanDerWaalsContact CG2-CA 3.43Å; G279-H281 PolarHBondContact O-N 2.58Å; G279-W307 VanDerWaalsContact N-CH2 3.34Å | ||
| 280 | K | 94.7 | Very high | 96.2 | Very high | 160 Ų | 160 | 42.6 Ų | 42.6 | 70% | 0.696 | 24% | 0.235 | S | C | * | . | trans | 54.3 | 37.6 | -173.6 | -51.6 | -60.3 | 176.4 | -166.3 | 0 | 112.8 | D278 | D278-K280 WeakPolarHBondContact OD1-CD 3.45Å; D278-K280 PolarHBondContact OD1-N 2.9Å; D278-K280 IonicContact OD1-NZ 3.99Å; D278-K280 IonicContact OD2-NZ 3.95Å; D278-K280 PolarHBondContact OD2-NZ 3.37Å | ||
| 281 | H | 95.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | trans | -59.9 | 139.9 | 169.1 | -82.2 | -77.8 | 0 | 0 | 0 | 109.7 | G279 G283 I285 S299 C301 | G279-H281 PolarHBondContact O-N 2.58Å; H281-G283 VanDerWaalsContact C-N 3.25Å; H281-G283 PolarHBondContact O-N 3.21Å; H281-I285 HydrophobicContact CB-CD1 4.35Å; H281-I285 HydrophobicContact CB-CG1 4.04Å; H281-I285 WeakPolarHBondContact CD2-CD1 3.27Å; H281-S299 PolarHBondContact CE1-O 3.33Å; H281-S299 PolarHBondContact NE2-OG 3Å; H281-C301 PolarHBondContact ND1-SG 3.09Å | ||
| 282 | T | 93.6 | Very high | 96 | Very high | 107 Ų | 107 | 41.6 Ų | 41.6 | 66% | 0.656 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -83 | -3.2 | -175.8 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 283 | G | 94.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -165.3 | -169 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G261 H281 I285 | G261-G283 WeakPolarHBondContact CA-O 3.43Å; H281-G283 VanDerWaalsContact C-N 3.25Å; H281-G283 PolarHBondContact O-N 3.21Å; G283-I285 PolarHBondContact O-N 3.28Å |
| 284 | P | 96.3 | Very high | 95.7 | Very high | 45 Ų | 45 | 42 Ų | 42 | 29% | 0.292 | 22% | 0.222 | S | C | . | . | trans | -57.6 | 131.9 | -179.1 | -25.3 | 35.3 | 0 | 0 | 0 | 112 | V241 E259 T286 C301 | V241-P284 HydrophobicContact CG1-CB 4.16Å; V241-P284 HydrophobicContact CG2-CG 4.46Å; E259-P284 HydrophobicContact CG-CB 4.5Å; E259-P284 HydrophobicContact CG-CG 3.98Å; P284-T286 PolarHBondContact O-N 2.84Å; P284-C301 WeakPolarHBondContact O-CB 3.42Å | ||
| 285 | I | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -82.1 | 98 | 172.9 | -61 | 178 | 0 | 0 | 0 | 108.2 | L243 S258 K262 I263 H281 G283 A300 | L243-I285 WeakPolarHBondContact CD2-O 3.47Å; S258-I285 PolarHBondContact O-N 2.78Å; S258-I285 VanDerWaalsContact O-N 3.1Å; K262-I285 WeakPolarHBondContact O-CD1 3.31Å; I263-I285 HydrophobicContact CD1-CD1 4.21Å; I263-I285 HydrophobicContact CG1-CD1 3.54Å; H281-I285 HydrophobicContact CB-CD1 4.35Å; H281-I285 HydrophobicContact CB-CG1 4.04Å; H281-I285 WeakPolarHBondContact CD2-CD1 3.27Å; G283-I285 PolarHBondContact O-N 3.28Å; I285-A300 CarbonylContact C-O 3.55Å; I285-A300 WeakPolarHBondContact CA-O 3.4Å | ||
| 286 | T | 94.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | trans | -80.3 | -31.1 | -176.8 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | K23 I24 V241 E244 P284 A300 | K23-T286 HydrophobicContact CD-CG2 3.86Å; K23-T286 HydrophobicContact CG-CG2 4.39Å; I24-T286 PolarHBondContact O-OG1 3.09Å; V241-T286 HydrophobicContact CG1-CG2 4.26Å; E244-T286 VanDerWaalsContact CB-O 3.29Å; E244-T286 WeakPolarHBondContact CB-O 3.22Å; E244-T286 PolarHBondContact N-O 3.12Å; P284-T286 PolarHBondContact O-N 2.84Å; T286-A300 PolarHBondContact N-O 3.5Å | ||
| 287 | C | 94.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 137.6 | -174.9 | -46.1 | 0 | 0 | 0 | 0 | 110.8 | N25 C26 F27 S299 A300 | N25-C287 PolarHBondContact O-SG 3.31Å; C26-C287 VanDerWaalsContact CA-SG 3.55Å; F27-C287 HydrophobicContact CD1-CB 3.59Å; F27-C287 HydrophobicContact CE1-CB 3.59Å; C287-S299 WeakPolarHBondContact O-CA 3.31Å; C287-A300 HydrophobicContact CB-CB 4.29Å; C287-A300 PolarHBondContact O-N 3.34Å |
| 288 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 127.3 | 177.8 | -176.7 | 153.1 | 0 | 0 | 0 | 110.7 | S246 M255 I263 A298 | S246-L288 WeakPolarHBondContact CB-O 3.46Å; S246-L288 VanDerWaalsContact OG-CD2 3.26Å; S246-L288 WeakPolarHBondContact OG-CD2 3.07Å; S246-L288 PolarHBondContact OG-O 3.21Å; M255-L288 HydrophobicContact CB-CD1 4.46Å; M255-L288 HydrophobicContact CB-CD2 3.49Å; M255-L288 VanDerWaalsContact CB-CD2 3.49Å; M255-L288 HydrophobicContact CE-CD1 4.29Å; M255-L288 HydrophobicContact CE-CD2 4.05Å; M255-L288 HydrophobicContact CG-CD2 4.42Å; M255-L288 HydrophobicContact SD-CD2 4.1Å; I263-L288 HydrophobicContact CB-CD1 4.16Å; I263-L288 HydrophobicContact CD1-CD1 3.62Å; I263-L288 HydrophobicContact CG1-CD1 3.67Å; I263-L288 HydrophobicContact CG2-CD1 3.46Å; I263-L288 VanDerWaalsContact CG2-CD1 3.46Å; L288-A298 WeakPolarHBondContact CA-O 3.37Å |
| 289 | Q | 97.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 143.5 | 178.2 | -58.7 | -175.9 | -7.8 | 0 | 0 | 111 | F27 F29 E244 F297 A298 | F27-Q289 HydrophobicContact CE2-CB 3.72Å; F27-Q289 HydrophobicContact CE2-CG 4.04Å; F27-Q289 HydrophobicContact CZ-CB 3.91Å; F27-Q289 HydrophobicContact CZ-CG 4.12Å; F27-Q289 PolarHBondContact O-NE2 2.97Å; F27-Q289 PolarHBondContact O-OE1 3.19Å; F29-Q289 HydrophobicContact CD2-CB 4.19Å; F29-Q289 HydrophobicContact CE2-CB 4.14Å; F29-Q289 WeakPolarHBondContact CE2-O 3.39Å; E244-Q289 PolarHBondContact OE1-NE2 3.1Å; Q289-F297 WeakPolarHBondContact O-CA 3.35Å; Q289-F297 WeakPolarHBondContact O-CB 3.45Å; Q289-A298 PolarHBondContact N-O 2.66Å; Q289-A298 PolarHBondContact O-N 3.16Å |
| 290 | F | 97 | Very high | 95.8 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 145.9 | 169.3 | -118.2 | -85.3 | 0 | 0 | 0 | 110.8 | L3 L8 F11 T248 P249 M255 T296 F297 | L3-F290 HydrophobicContact CD1-CE1 4.2Å; L3-F290 HydrophobicContact CD1-CZ 4.15Å; L3-F290 HydrophobicContact CD2-CE1 4.32Å; L3-F290 HydrophobicContact CD2-CZ 4.13Å; L8-F290 HydrophobicContact CD2-CE2 4.24Å; L8-F290 HydrophobicContact CD2-CZ 4.27Å; F11-F290 HydrophobicContact CE1-CE1 4.47Å; F11-F290 HydrophobicContact CE1-CZ 4.21Å; F11-F290 AromaticContact CE2-CZ 3.94Å; F11-F290 HydrophobicContact CE2-CZ 3.94Å; F11-F290 AromaticContact CZ-CE1 3.88Å; F11-F290 HydrophobicContact CZ-CE1 3.88Å; F11-F290 AromaticContact CZ-CZ 3.55Å; F11-F290 HydrophobicContact CZ-CZ 3.55Å; T248-F290 HydrophobicContact CG2-CD2 3.8Å; T248-F290 HydrophobicContact CG2-CE2 3.71Å; T248-F290 HydrophobicContact CG2-CZ 4.4Å; P249-F290 HydrophobicContact CG-CB 3.88Å; P249-F290 HydrophobicContact CG-CD1 4.02Å; P249-F290 HydrophobicContact CG-CG 4.21Å; M255-F290 HydrophobicContact CE-CD2 4.41Å; M255-F290 HydrophobicContact CE-CE2 4.05Å; M255-F290 HydrophobicContact SD-CD2 3.34Å; M255-F290 WeakPolarHBondContact SD-CD2 3.43Å; M255-F290 HydrophobicContact SD-CE2 3.24Å; M255-F290 WeakPolarHBondContact SD-CE2 3.27Å; F290-T296 WeakPolarHBondContact CD1-O 3.26Å; F290-F297 HydrophobicContact CB-CB 4.35Å; F290-F297 HydrophobicContact CD1-CB 4.09Å; F290-F297 HydrophobicContact CD2-CB 3.78Å; F290-F297 HydrophobicContact CD2-CD1 4.33Å; F290-F297 HydrophobicContact CD2-CG 4.31Å; F290-F297 HydrophobicContact CE1-CB 4.33Å; F290-F297 HydrophobicContact CE2-CB 4.04Å; F290-F297 AromaticContact CE2-CD1 3.74Å; F290-F297 HydrophobicContact CE2-CD1 3.74Å; F290-F297 HydrophobicContact CE2-CG 4.18Å; F290-F297 HydrophobicContact CG-CB 3.82Å; F290-F297 HydrophobicContact CZ-CB 4.32Å; F290-F297 AromaticContact CZ-CD1 3.85Å; F290-F297 HydrophobicContact CZ-CD1 3.85Å |
| 291 | N | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -67 | 133.2 | 172.1 | -172.8 | -56.6 | 0 | 0 | 0 | 109.8 | F29 G33 P249 K293 F294 T296 | F29-N291 HydrophobicContact CD1-CB 4.18Å; F29-N291 HydrophobicContact CE1-CB 3.76Å; F29-N291 WeakPolarHBondContact CE1-ND2 3.33Å; F29-N291 HydrophobicContact CE2-CB 4.42Å; F29-N291 HydrophobicContact CZ-CB 3.9Å; G33-N291 WeakPolarHBondContact CA-OD1 3.38Å; G33-N291 PolarHBondContact O-ND2 3.25Å; P249-N291 WeakPolarHBondContact CG-O 3.43Å; N291-K293 VanDerWaalsContact C-N 3.28Å; N291-K293 PolarHBondContact O-N 2.88Å; N291-K293 PolarHBondContact OD1-N 3.19Å; N291-F294 WeakPolarHBondContact OD1-CD2 3.34Å; N291-F294 PolarHBondContact OD1-N 3.04Å; N291-T296 WeakPolarHBondContact CB-O 3.37Å; N291-T296 VanDerWaalsContact CB-OG1 3.23Å; N291-T296 WeakPolarHBondContact CB-OG1 3.19Å; N291-T296 PolarHBondContact N-O 3.26Å; N291-T296 PolarHBondContact ND2-OG1 3.29Å | ||
| 292 | P | 93.6 | Very high | 95.9 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -72.5 | -16.9 | -175.5 | 28.1 | -35.7 | 0 | 0 | 0 | 114.1 | F29 | F29-P292 HydrophobicContact CB-CG 4.19Š|
| 293 | K | 93.8 | Very high | 96 | Very high | 142 Ų | 142 | 25.2 Ų | 25.2 | 62% | 0.617 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -119.1 | -34.2 | -175.5 | -63.6 | -58.7 | -175.9 | -177.9 | 0 | 113.7 | S31 N32 N291 | S31-K293 WeakPolarHBondContact O-CE 3.24Å; N32-K293 VanDerWaalsContact C-CG 3.49Å; N32-K293 VanDerWaalsContact O-CG 3.31Å; N32-K293 WeakPolarHBondContact O-CG 3.16Å; N291-K293 VanDerWaalsContact C-N 3.28Å; N291-K293 PolarHBondContact O-N 2.88Å; N291-K293 PolarHBondContact OD1-N 3.19Å |
| 294 | F | 94.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 24.3 Ų | 24.3 | 37% | 0.373 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -110.2 | 154.3 | -174.2 | -52.7 | -65.4 | 0 | 0 | 0 | 111.4 | N32 G33 E34 N291 T296 | N32-F294 WeakPolarHBondContact O-CE2 3.5Å; G33-F294 WeakPolarHBondContact O-CD2 3.43Å; G33-F294 WeakPolarHBondContact O-CE2 3.29Å; E34-F294 HydrophobicContact CG-CE2 4.14Å; E34-F294 HydrophobicContact CG-CZ 4.4Å; N291-F294 WeakPolarHBondContact OD1-CD2 3.34Å; N291-F294 PolarHBondContact OD1-N 3.04Å; F294-T296 HydrophobicContact CB-CG2 4.01Å; F294-T296 PolarHBondContact O-N 3.45Å |
| 295 | M | 94.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 22.2 Ų | 22.2 | 17% | 0.167 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -77.9 | 63.5 | 175.7 | -173.2 | 176.5 | -87.5 | 0 | 0 | 110.3 | M1 L3 V7 F11 P309 | M1-M295 HydrophobicContact CB-CE 3.88Å; M1-M295 HydrophobicContact CE-CE 4.13Å; M1-M295 HydrophobicContact CE-SD 4.07Å; M1-M295 HydrophobicContact CG-CE 3.34Å; M1-M295 HydrophobicContact CG-SD 4.43Å; M1-M295 HydrophobicContact SD-CB 3.72Å; M1-M295 HydrophobicContact SD-CE 3.28Å; M1-M295 WeakPolarHBondContact SD-CE 3.28Å; M1-M295 HydrophobicContact SD-CG 4.25Å; M1-M295 HydrophobicContact SD-SD 3.62Å; M1-M295 VanDerWaalsContact SD-SD 3.62Å; L3-M295 HydrophobicContact CD2-CE 3.8Å; L3-M295 HydrophobicContact CD2-CG 4.17Å; L3-M295 HydrophobicContact CD2-SD 4.45Å; L3-M295 HydrophobicContact CG-CE 4.37Å; V7-M295 HydrophobicContact CG1-CE 3.89Å; V7-M295 HydrophobicContact CG1-CG 4.41Å; V7-M295 HydrophobicContact CG1-SD 3.49Å; V7-M295 WeakPolarHBondContact CG1-SD 3.49Å; F11-M295 HydrophobicContact CZ-CG 3.95Å; M295-P309 HydrophobicContact CG-CG 4.01Å; M295-P309 WeakPolarHBondContact O-CD 3.23Å; M295-P309 HydrophobicContact SD-CG 3.98Å |
| 296 | T | 95.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 18% | 0.184 | 12% | 0.118 | C | C | . | . | trans | -141.6 | 157.4 | -178.1 | 75.6 | 0 | 0 | 0 | 0 | 108.3 | F290 N291 F294 W307 L308 | F290-T296 WeakPolarHBondContact CD1-O 3.26Å; N291-T296 WeakPolarHBondContact CB-O 3.37Å; N291-T296 VanDerWaalsContact CB-OG1 3.23Å; N291-T296 WeakPolarHBondContact CB-OG1 3.19Å; N291-T296 PolarHBondContact N-O 3.26Å; N291-T296 PolarHBondContact ND2-OG1 3.29Å; F294-T296 HydrophobicContact CB-CG2 4.01Å; F294-T296 PolarHBondContact O-N 3.45Å; T296-W307 WeakPolarHBondContact CA-O 3.49Å; T296-W307 WeakPolarHBondContact CB-O 3.34Å; T296-L308 HydrophobicContact CG2-CD2 3.19Å | ||
| 297 | F | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 164.5 | 170.1 | 74.4 | -100.7 | 0 | 0 | 0 | 110.3 | F11 M255 I263 L277 Q289 F290 W307 | F11-F297 HydrophobicContact CB-CE1 3.78Å; F11-F297 HydrophobicContact CB-CZ 4.42Å; F11-F297 AromaticContact CD1-CD1 3.49Å; F11-F297 HydrophobicContact CD1-CD1 3.49Å; F11-F297 VanDerWaalsContact CD1-CD1 3.49Å; F11-F297 AromaticContact CD1-CE1 3.3Å; F11-F297 HydrophobicContact CD1-CE1 3.3Å; F11-F297 HydrophobicContact CD1-CZ 4.4Å; F11-F297 HydrophobicContact CD2-CE1 4.27Å; F11-F297 AromaticContact CE1-CD1 3.53Å; F11-F297 HydrophobicContact CE1-CD1 3.53Å; F11-F297 AromaticContact CE1-CE1 3.85Å; F11-F297 HydrophobicContact CE1-CE1 3.85Å; F11-F297 HydrophobicContact CG-CD1 4.08Å; F11-F297 AromaticContact CG-CE1 3.53Å; F11-F297 HydrophobicContact CG-CE1 3.53Å; F11-F297 HydrophobicContact CZ-CD1 4.18Å; M255-F297 HydrophobicContact CE-CD1 3.96Å; M255-F297 HydrophobicContact CE-CD2 4.12Å; M255-F297 HydrophobicContact CE-CE1 3.74Å; M255-F297 HydrophobicContact CE-CE2 3.95Å; M255-F297 HydrophobicContact CE-CG 4.15Å; M255-F297 HydrophobicContact CE-CZ 3.75Å; I263-F297 HydrophobicContact CD1-CE2 3.53Å; I263-F297 HydrophobicContact CD1-CZ 3.96Å; L277-F297 HydrophobicContact CD1-CE1 3.98Å; L277-F297 HydrophobicContact CD1-CZ 3.69Å; Q289-F297 WeakPolarHBondContact O-CA 3.35Å; Q289-F297 WeakPolarHBondContact O-CB 3.45Å; F290-F297 HydrophobicContact CB-CB 4.35Å; F290-F297 HydrophobicContact CD1-CB 4.09Å; F290-F297 HydrophobicContact CD2-CB 3.78Å; F290-F297 HydrophobicContact CD2-CD1 4.33Å; F290-F297 HydrophobicContact CD2-CG 4.31Å; F290-F297 HydrophobicContact CE1-CB 4.33Å; F290-F297 HydrophobicContact CE2-CB 4.04Å; F290-F297 AromaticContact CE2-CD1 3.74Å; F290-F297 HydrophobicContact CE2-CD1 3.74Å; F290-F297 HydrophobicContact CE2-CG 4.18Å; F290-F297 HydrophobicContact CG-CB 3.82Å; F290-F297 HydrophobicContact CZ-CB 4.32Å; F290-F297 AromaticContact CZ-CD1 3.85Å; F290-F297 HydrophobicContact CZ-CD1 3.85Å; F297-W307 HydrophobicContact CD1-CB 3.79Å; F297-W307 HydrophobicContact CD1-CG 4.42Å; F297-W307 HydrophobicContact CD2-CB 3.89Å; F297-W307 AromaticContact CD2-CD1 3.66Å; F297-W307 AromaticContact CD2-CG 3.8Å; F297-W307 HydrophobicContact CD2-CG 3.8Å; F297-W307 HydrophobicContact CE1-CB 3.54Å; F297-W307 HydrophobicContact CE1-CD2 4.26Å; F297-W307 HydrophobicContact CE1-CE3 4.42Å; F297-W307 AromaticContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE2-CB 3.62Å; F297-W307 AromaticContact CE2-CD1 3.21Å; F297-W307 AromaticContact CE2-CD2 3.54Å; F297-W307 HydrophobicContact CE2-CD2 3.54Å; F297-W307 AromaticContact CE2-CE2 3.75Å; F297-W307 HydrophobicContact CE2-CE3 4.33Å; F297-W307 AromaticContact CE2-CG 3.18Å; F297-W307 HydrophobicContact CE2-CG 3.18Å; F297-W307 AromaticContact CE2-NE1 3.58Å; F297-W307 HydrophobicContact CG-CB 3.95Å; F297-W307 HydrophobicContact CG-CG 4.36Å; F297-W307 HydrophobicContact CZ-CB 3.44Å; F297-W307 VanDerWaalsContact CZ-CB 3.44Å; F297-W307 AromaticContact CZ-CD1 3.81Å; F297-W307 AromaticContact CZ-CD2 3.34Å; F297-W307 HydrophobicContact CZ-CD2 3.34Å; F297-W307 AromaticContact CZ-CE2 3.93Å; F297-W307 AromaticContact CZ-CE3 3.68Å; F297-W307 HydrophobicContact CZ-CE3 3.68Å; F297-W307 AromaticContact CZ-CG 3.26Å; F297-W307 HydrophobicContact CZ-CG 3.26Å; F297-W307 HydrophobicContact CZ-CZ3 4.46Å; F297-W307 PolarHBondContact N-O 3.02Å; F297-W307 WeakPolarHBondContact O-CB 3.3Å; F297-W307 PolarHBondContact O-N 2.95Å |
| 298 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F27 F29 I36 L288 Q289 M304 A305 F306 | F27-A298 HydrophobicContact CE1-CB 4.49Å; F27-A298 HydrophobicContact CE2-CB 3.8Å; F27-A298 HydrophobicContact CZ-CB 3.7Å; F27-A298 WeakPolarHBondContact CZ-O 3.43Å; F29-A298 HydrophobicContact CE2-CB 4.33Å; F29-A298 HydrophobicContact CZ-CB 4.02Å; I36-A298 HydrophobicContact CD1-CB 3.65Å; L288-A298 WeakPolarHBondContact CA-O 3.37Å; Q289-A298 PolarHBondContact N-O 2.66Å; Q289-A298 PolarHBondContact O-N 3.16Å; A298-M304 HydrophobicContact CB-SD 3.93Å; A298-A305 VanDerWaalsContact CA-O 3.27Å; A298-A305 WeakPolarHBondContact CA-O 3.12Å; A298-F306 HydrophobicContact CB-CD1 3.97Å; A298-F306 HydrophobicContact CB-CE1 4.18Å |
| 299 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.6 | 170.1 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | H281 C287 A305 W307 | H281-S299 PolarHBondContact CE1-O 3.33Å; H281-S299 PolarHBondContact NE2-OG 3Å; C287-S299 WeakPolarHBondContact O-CA 3.31Å; S299-A305 PolarHBondContact N-O 2.74Å; S299-A305 PolarHBondContact O-N 2.98Å; S299-W307 PolarHBondContact OG-NE1 2.99Å |
| 300 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 139.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I24 F27 I285 T286 C287 N303 M304 | I24-A300 HydrophobicContact CB-CB 3.93Å; I24-A300 HydrophobicContact CD1-CB 3.89Å; I24-A300 HydrophobicContact CG2-CB 3.81Å; F27-A300 HydrophobicContact CD1-CB 4.04Å; F27-A300 HydrophobicContact CE1-CB 4.12Å; I285-A300 CarbonylContact C-O 3.55Å; I285-A300 WeakPolarHBondContact CA-O 3.4Å; T286-A300 PolarHBondContact N-O 3.5Å; C287-A300 HydrophobicContact CB-CB 4.29Å; C287-A300 PolarHBondContact O-N 3.34Å; A300-N303 WeakPolarHBondContact CA-O 3.39Å; A300-M304 HydrophobicContact CB-CE 4.19Å; A300-M304 HydrophobicContact CB-SD 4.21Å |
| 301 | C | 95.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.4 | -121.1 | 161.8 | 61.6 | 0 | 0 | 0 | 0 | 107.7 | I24 H281 P284 N303 | I24-C301 WeakPolarHBondContact CB-O 3.48Å; I24-C301 WeakPolarHBondContact CG1-O 3.43Å; I24-C301 PolarHBondContact N-O 2.82Å; H281-C301 PolarHBondContact ND1-SG 3.09Å; P284-C301 WeakPolarHBondContact O-CB 3.42Å; C301-N303 PolarHBondContact N-O 3.18Å; C301-N303 PolarHBondContact SG-N 2.77Å; C301-N303 VanDerWaalsContact SG-N 3.44Å |
| 302 | S | 95.7 | Very high | 93.5 | Very high | 38 Ų | 38 | 43 Ų | 43 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -73 | -20.5 | 158.8 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 303 | N | 96.6 | Very high | 91 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -110.4 | 146.6 | 177.3 | -58.5 | -43.1 | 0 | 0 | 0 | 110.4 | V16 F17 R18 A300 C301 | V16-N303 HydrophobicContact CG1-CB 3.9Å; F17-N303 WeakPolarHBondContact O-CA 3.31Å; F17-N303 WeakPolarHBondContact O-CB 3.48Å; R18-N303 WeakPolarHBondContact CG-OD1 3.21Å; A300-N303 WeakPolarHBondContact CA-O 3.39Å; C301-N303 PolarHBondContact N-O 3.18Å; C301-N303 PolarHBondContact SG-N 2.77Å; C301-N303 VanDerWaalsContact SG-N 3.44Å |
| 304 | M | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.4 | 172.1 | 178.1 | 64.6 | 74.3 | 0 | 0 | 109.6 | V16 F17 I24 F27 I36 Y48 A298 A300 F306 | V16-M304 CarbonylContact C-O 3.58Å; V16-M304 WeakPolarHBondContact CA-O 3.24Å; F17-M304 HydrophobicContact CB-CB 4.27Å; F17-M304 HydrophobicContact CD2-CB 4.2Å; F17-M304 HydrophobicContact CD2-CG 4.05Å; F17-M304 PolarHBondContact N-O 2.84Å; F17-M304 PolarHBondContact O-N 2.98Å; F17-M304 VanDerWaalsContact O-N 3.1Å; I24-M304 HydrophobicContact CD1-CB 4.03Å; I24-M304 HydrophobicContact CD1-CE 4.35Å; F27-M304 HydrophobicContact CB-CE 3.85Å; F27-M304 HydrophobicContact CD1-CE 3.78Å; F27-M304 HydrophobicContact CD1-SD 4.41Å; F27-M304 HydrophobicContact CD2-CE 4.46Å; F27-M304 HydrophobicContact CE1-CE 4.44Å; F27-M304 HydrophobicContact CG-CE 3.79Å; I36-M304 HydrophobicContact CG2-CE 4.12Å; Y48-M304 HydrophobicContact CE1-CB 4.45Å; Y48-M304 HydrophobicContact CE1-CG 4.49Å; Y48-M304 HydrophobicContact CE2-CE 4.18Å; Y48-M304 HydrophobicContact CE2-CG 4.3Å; A298-M304 HydrophobicContact CB-SD 3.93Å; A300-M304 HydrophobicContact CB-CE 4.19Å; A300-M304 HydrophobicContact CB-SD 4.21Å; M304-F306 HydrophobicContact CG-CD1 4.04Å; M304-F306 HydrophobicContact CG-CE1 3.61Å; M304-F306 HydrophobicContact SD-CD1 4.45Å; M304-F306 HydrophobicContact SD-CE1 4.07Å |
| 305 | A | 98.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | V13 K15 V16 A298 S299 | V13-A305 HydrophobicContact CG1-CB 4.35Å; K15-A305 CarbonylContact O-C 3.5Å; K15-A305 WeakPolarHBondContact O-CA 3.36Å; V16-A305 HydrophobicContact CG2-CB 4.39Å; A298-A305 VanDerWaalsContact CA-O 3.27Å; A298-A305 WeakPolarHBondContact CA-O 3.12Å; S299-A305 PolarHBondContact N-O 2.74Å; S299-A305 PolarHBondContact O-N 2.98Å |
| 306 | F | 98.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.8 | 173.6 | -73.9 | 9.9 | 0 | 0 | 0 | 110 | A14 K15 F17 I36 Y48 A298 M304 | A14-F306 PolarHBondContact N-O 3.23Å; K15-F306 PolarHBondContact N-O 3.02Å; K15-F306 PolarHBondContact O-N 2.75Å; F17-F306 HydrophobicContact CD2-CD1 4.42Å; F17-F306 HydrophobicContact CD2-CE1 4.3Å; F17-F306 AromaticContact CE2-CD1 3.86Å; F17-F306 HydrophobicContact CE2-CD1 3.86Å; F17-F306 AromaticContact CE2-CD2 3.75Å; F17-F306 HydrophobicContact CE2-CD2 3.75Å; F17-F306 AromaticContact CE2-CE1 3.82Å; F17-F306 HydrophobicContact CE2-CE1 3.82Å; F17-F306 AromaticContact CE2-CE2 3.73Å; F17-F306 HydrophobicContact CE2-CE2 3.73Å; F17-F306 AromaticContact CE2-CG 3.81Å; F17-F306 HydrophobicContact CE2-CG 3.81Å; F17-F306 AromaticContact CE2-CZ 3.77Å; F17-F306 HydrophobicContact CE2-CZ 3.77Å; F17-F306 HydrophobicContact CZ-CD2 4.18Å; F17-F306 HydrophobicContact CZ-CE2 4.09Å; F17-F306 HydrophobicContact CZ-CZ 4.45Å; I36-F306 HydrophobicContact CD1-CD1 4.29Å; I36-F306 HydrophobicContact CD1-CE1 3.43Å; I36-F306 VanDerWaalsContact CD1-CE1 3.43Å; I36-F306 HydrophobicContact CD1-CZ 3.61Å; I36-F306 HydrophobicContact CG1-CZ 4.48Å; Y48-F306 HydrophobicContact CG-CZ 4.15Å; A298-F306 HydrophobicContact CB-CD1 3.97Å; A298-F306 HydrophobicContact CB-CE1 4.18Å; M304-F306 HydrophobicContact CG-CD1 4.04Å; M304-F306 HydrophobicContact CG-CE1 3.61Å; M304-F306 HydrophobicContact SD-CD1 4.45Å; M304-F306 HydrophobicContact SD-CE1 4.07Å |
| 307 | W | 97.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.7 | -174.3 | -62.3 | 75.7 | 0 | 0 | 0 | 111.1 | F11 R12 V13 I263 L277 G279 T296 F297 S299 | F11-W307 HydrophobicContact CB-CE3 4.35Å; F11-W307 HydrophobicContact CD1-CB 3.92Å; R12-W307 VanDerWaalsContact C-CE3 3.44Å; R12-W307 VanDerWaalsContact O-CA 3.3Å; R12-W307 WeakPolarHBondContact O-CA 3.42Å; V13-W307 HydrophobicContact CG2-CD2 3.8Å; V13-W307 HydrophobicContact CG2-CE3 3.94Å; V13-W307 HydrophobicContact CG2-CH2 3.69Å; V13-W307 HydrophobicContact CG2-CZ2 3.49Å; V13-W307 VanDerWaalsContact CG2-CZ2 3.49Å; V13-W307 HydrophobicContact CG2-CZ3 3.88Å; I263-W307 HydrophobicContact CD1-CH2 4.05Å; I263-W307 HydrophobicContact CD1-CZ2 3.46Å; I263-W307 VanDerWaalsContact CD1-CZ2 3.46Å; I263-W307 HydrophobicContact CG1-CZ2 4.49Å; L277-W307 HydrophobicContact CB-CH2 3.85Å; L277-W307 HydrophobicContact CB-CZ3 3.73Å; L277-W307 HydrophobicContact CD1-CZ3 4.41Å; G279-W307 VanDerWaalsContact N-CH2 3.34Å; T296-W307 WeakPolarHBondContact CA-O 3.49Å; T296-W307 WeakPolarHBondContact CB-O 3.34Å; F297-W307 HydrophobicContact CD1-CB 3.79Å; F297-W307 HydrophobicContact CD1-CG 4.42Å; F297-W307 HydrophobicContact CD2-CB 3.89Å; F297-W307 AromaticContact CD2-CD1 3.66Å; F297-W307 AromaticContact CD2-CG 3.8Å; F297-W307 HydrophobicContact CD2-CG 3.8Å; F297-W307 HydrophobicContact CE1-CB 3.54Å; F297-W307 HydrophobicContact CE1-CD2 4.26Å; F297-W307 HydrophobicContact CE1-CE3 4.42Å; F297-W307 AromaticContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE1-CG 3.93Å; F297-W307 HydrophobicContact CE2-CB 3.62Å; F297-W307 AromaticContact CE2-CD1 3.21Å; F297-W307 AromaticContact CE2-CD2 3.54Å; F297-W307 HydrophobicContact CE2-CD2 3.54Å; F297-W307 AromaticContact CE2-CE2 3.75Å; F297-W307 HydrophobicContact CE2-CE3 4.33Å; F297-W307 AromaticContact CE2-CG 3.18Å; F297-W307 HydrophobicContact CE2-CG 3.18Å; F297-W307 AromaticContact CE2-NE1 3.58Å; F297-W307 HydrophobicContact CG-CB 3.95Å; F297-W307 HydrophobicContact CG-CG 4.36Å; F297-W307 HydrophobicContact CZ-CB 3.44Å; F297-W307 VanDerWaalsContact CZ-CB 3.44Å; F297-W307 AromaticContact CZ-CD1 3.81Å; F297-W307 AromaticContact CZ-CD2 3.34Å; F297-W307 HydrophobicContact CZ-CD2 3.34Å; F297-W307 AromaticContact CZ-CE2 3.93Å; F297-W307 AromaticContact CZ-CE3 3.68Å; F297-W307 HydrophobicContact CZ-CE3 3.68Å; F297-W307 AromaticContact CZ-CG 3.26Å; F297-W307 HydrophobicContact CZ-CG 3.26Å; F297-W307 HydrophobicContact CZ-CZ3 4.46Å; F297-W307 PolarHBondContact N-O 3.02Å; F297-W307 WeakPolarHBondContact O-CB 3.3Å; F297-W307 PolarHBondContact O-N 2.95Å; S299-W307 PolarHBondContact OG-NE1 2.99Å |
| 308 | L | 96.2 | Very high | 89.8 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.7 | 175.9 | -61.5 | 177.7 | 0 | 0 | 0 | 109.1 | F11 R12 A14 T296 | F11-L308 WeakPolarHBondContact CA-O 2.93Å; F11-L308 VanDerWaalsContact CD1-C 3.45Å; R12-L308 PolarHBondContact N-O 3.44Å; R12-L308 PolarHBondContact O-N 2.78Å; A14-L308 HydrophobicContact CB-CB 4.18Å; A14-L308 HydrophobicContact CB-CD1 3.56Å; A14-L308 HydrophobicContact CB-CG 3.66Å; T296-L308 HydrophobicContact CG2-CD2 3.19Å |
| 309 | P | 94.8 | Very high | 89.2 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 139.1 | 168.2 | 30.7 | -34.7 | 0 | 0 | 0 | 108.8 | V7 S10 F11 M295 | V7-P309 HydrophobicContact CG1-CB 4.35Å; S10-P309 WeakPolarHBondContact OG-CA 3.04Å; S10-P309 VanDerWaalsContact OG-CB 3.22Å; S10-P309 WeakPolarHBondContact OG-CB 3.08Å; F11-P309 HydrophobicContact CD2-CB 4.32Å; F11-P309 HydrophobicContact CE1-CG 4.49Å; F11-P309 HydrophobicContact CE2-CB 4.17Å; F11-P309 HydrophobicContact CZ-CB 4.28Å; F11-P309 HydrophobicContact CZ-CG 4.32Å; M295-P309 HydrophobicContact CG-CG 4.01Å; M295-P309 WeakPolarHBondContact O-CD 3.23Å; M295-P309 HydrophobicContact SD-CG 3.98Å |
| 310 | T | 90.2 | Very high | 88.5 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | trans | -71.8 | 130.4 | 164.4 | 54.6 | 0 | 0 | 0 | 0 | 107.8 | S10 R12 D312 | S10-T310 WeakPolarHBondContact CB-OG1 3.36Å; S10-T310 PolarHBondContact O-N 3.04Å; S10-T310 VanDerWaalsContact O-N 3.08Å; S10-T310 PolarHBondContact O-OG1 2.69Å; S10-T310 VanDerWaalsContact O-OG1 3.12Å; R12-T310 HydrophobicContact CB-CG2 4.25Å; R12-T310 HydrophobicContact CG-CG2 3.6Å; T310-D312 PolarHBondContact O-N 2.65Å | ||
| 311 | I | 78.4 | Confident | 87.8 | Confident | 152 Ų | 152 | 60.2 Ų | 60.2 | 78% | 0.779 | 33% | 0.329 | S | S | * | . | trans | -76.2 | 114.4 | 163.9 | -55.3 | 172.1 | 0 | 0 | 0 | 103.7 | D313 | I311-D313 PolarHBondContact O-N 3.08Š| ||
| 312 | D | 59.6 | Low | 87.2 | Confident | 135 Ų | 135 | 65 Ų | 65 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | trans | -62.7 | 121.1 | 166.2 | -64.3 | -33.9 | 0 | 0 | 0 | 106.1 | T310 | T310-D312 PolarHBondContact O-N 2.65Š| ||
| 313 | D | 42.6 | Very low | 86.4 | Confident | 234 Ų | 234 | 67.5 Ų | 67.5 | 100% | 1.251 | 36% | 0.363 | S | S | * | . | trans | -63.5 | 0 | 169.2 | -77.1 | -34.4 | 0 | 0 | 0 | 110.9 | I311 | I311-D313 PolarHBondContact O-N 3.08Š|
Retrieved 313 of 313 residues in 418.1 ms
(Link to these results)