A0A024R3B9_HUMAN Loading...

Alpha-crystallin B chain

May contribute to the transparency and refractive index of the lens. Has chaperone-like activity, preventing aggregation of various proteins under a wide range of stress conditions. In lens epithelial cells, stabilizes the ATP6V1A protein, preventing its degradation by the proteasome.

AlphaFold DB , UniProt , Accession A0A024R3B9, Species HUMAN (Homo sapiens, Human), Gene CRYAB, Length 108 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.4Very low73.2Confident183 Ų183102.4 Ų102.490%0.90148%0.476SS*.  0109.50-155.7-179.9-160.800106.8L3 F8M1-L3 HydrophobicContact CG-CG 4.49Å; M1-F8 HydrophobicContact CE-CE2 4.41Å
2R41.1Very low75.3Confident217 Ų21794.1 Ų94.182%0.81944%0.438SS*.  trans-95.698.7178.3-137.3-179.5-171.2174.61.8106.4E4R2-E4 VanDerWaalsContact C-N 3.34Å; R2-E4 PolarHBondContact O-N 3.34Å
3L47.7Very low77Confident93 Ų9394.2 Ų94.249%0.48744%0.443SS..  trans-84.885.3174-68.8159.2000106.6M1 K5M1-L3 HydrophobicContact CG-CG 4.49Å; L3-K5 PolarHBondContact O-N 3.41Å
4E59.3Low78.5Confident95 Ų9587.8 Ų87.844%0.44441%0.413SS..BIsolated β-bridgetrans-58.3131.7157.9-72.5169.4178.400106.2R2 D6 R7R2-E4 VanDerWaalsContact C-N 3.34Å; R2-E4 PolarHBondContact O-N 3.34Å; E4-D6 PolarHBondContact O-N 3.18Å; E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE2-CZ 3.77Å; E4-R7 IonicContact OE2-NE 3.63Å; E4-R7 PolarHBondContact OE2-NE 3.42Å; E4-R7 IonicContact OE2-NH2 3.69Å; E4-R7 PolarHBondContact OE2-NH2 3.4Å
5K66.6Low79.6Confident190 Ų19089.9 Ų89.983%0.82642%0.421SS*.THydrogen-bonded Turntrans-48.8-29.5-168.6-96.7-179.6173.2-178.30113.5L3L3-K5 PolarHBondContact O-N 3.41Å
6D81.1Confident80.5Confident87 Ų8790.3 Ų90.347%0.46542%0.422SS..THydrogen-bonded Turntrans-111.43.2-170.9-46.8-55.6000114.1E4 R82 Q84E4-D6 PolarHBondContact O-N 3.18Å; D6-R82 PolarHBondContact O-N 3.17Å; D6-Q84 PolarHBondContact OD1-NE2 2.94Å
7R86.6Confident81.4Confident106 Ų10686.7 Ų86.740%0.441%0.405SS..EExtended strand (participates in β ladder)trans-145.5136.7-174.9-166.2170.159.9162-2.1114.1E4 G80E4-R7 PolarHBondContact O-N 3.19Å; E4-R7 IonicContact OE2-CZ 3.77Å; E4-R7 IonicContact OE2-NE 3.63Å; E4-R7 PolarHBondContact OE2-NE 3.42Å; E4-R7 IonicContact OE2-NH2 3.69Å; E4-R7 PolarHBondContact OE2-NH2 3.4Å; R7-G80 WeakPolarHBondContact CG-O 3.26Å
8F92.9Very high82.2Confident3 Ų383.9 Ų83.91%0.01340%0.397CS..EExtended strand (participates in β ladder)trans-93134.5166.1165.2-97.1000109M1 V10 I31 P58 V61 N79 G80 R82M1-F8 HydrophobicContact CE-CE2 4.41Å; F8-V10 HydrophobicContact CE1-CG2 4.23Å; F8-V10 HydrophobicContact CE2-CG2 4.02Å; F8-V10 HydrophobicContact CZ-CG2 3.55Å; F8-I31 HydrophobicContact CE1-CD1 3.54Å; F8-I31 HydrophobicContact CZ-CD1 3.95Å; F8-P58 HydrophobicContact CD2-CG 3.61Å; F8-P58 HydrophobicContact CE2-CG 4.08Å; F8-P58 HydrophobicContact CG-CG 4.28Å; F8-V61 HydrophobicContact CB-CG2 3.5Å; F8-V61 HydrophobicContact CG-CG2 4.14Å; F8-N79 CarbonylContact O-C 3.58Å; F8-N79 WeakPolarHBondContact O-CA 3.47Å; F8-N79 VanDerWaalsContact O-CB 3.31Å; F8-N79 WeakPolarHBondContact O-CB 3.47Å; F8-G80 PolarHBondContact N-O 2.89Å; F8-G80 PolarHBondContact O-N 3.02Å; F8-R82 HydrophobicContact CB-CG 4.16Å
9S95.3Very high82.9Confident33 Ų3383.7 Ų83.723%0.23140%0.403CS..EExtended strand (participates in β ladder)trans-151.8138.3179176.40000111.7N11 V78S9-N11 PolarHBondContact OG-OD1 3.23Å; S9-V78 WeakPolarHBondContact CA-O 3.39Å
10V96.2Very high83.6Confident17 Ų1787.4 Ų87.410%0.10342%0.42CS..EExtended strand (participates in β ladder)trans-126.1132.1172177.60000108.1F8 L12 Y55 T77 V78F8-V10 HydrophobicContact CE1-CG2 4.23Å; F8-V10 HydrophobicContact CE2-CG2 4.02Å; F8-V10 HydrophobicContact CZ-CG2 3.55Å; V10-L12 HydrophobicContact CG1-CG 4.36Å; V10-Y55 HydrophobicContact CG1-CD1 3.89Å; V10-Y55 HydrophobicContact CG1-CD2 4.04Å; V10-Y55 HydrophobicContact CG1-CE1 3.58Å; V10-Y55 HydrophobicContact CG1-CE2 3.74Å; V10-Y55 HydrophobicContact CG1-CG 4.11Å; V10-Y55 HydrophobicContact CG2-CD1 3.9Å; V10-Y55 HydrophobicContact CG2-CE1 4.36Å; V10-Y55 HydrophobicContact CG2-CG 4.06Å; V10-T77 WeakPolarHBondContact O-CA 3.26Å; V10-V78 PolarHBondContact N-O 2.98Å; V10-V78 PolarHBondContact O-N 3.1Å
11N97.3Very high84.3Confident102 Ų10284.5 Ų84.555%0.54541%0.405SS..EExtended strand (participates in β ladder)trans-117.2135.9178.3-60.5-15.1000109.7S9 V75 L76 T77S9-N11 PolarHBondContact OG-OD1 3.23Å; N11-V75 HydrophobicContact CB-CG1 4.03Å; N11-L76 CarbonylContact C-O 3.59Å; N11-L76 WeakPolarHBondContact CA-O 3.31Å; N11-T77 WeakPolarHBondContact OD1-CG2 3.37Å; N11-T77 PolarHBondContact OD1-OG1 3.43Å
12L97.8Very high87Confident3 Ų377.1 Ų77.12%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-131.3121.4-176-68.9173.1000109.5V10 V14 V33 Y55 V75 L76V10-L12 HydrophobicContact CG1-CG 4.36Å; L12-V14 HydrophobicContact CB-CG1 3.98Å; L12-V14 PolarHBondContact O-N 2.86Å; L12-V33 HydrophobicContact CD1-CB 4.08Å; L12-V33 HydrophobicContact CD1-CG1 3.89Å; L12-V33 HydrophobicContact CD1-CG2 3.91Å; L12-Y55 HydrophobicContact CD1-CE2 4.2Å; L12-Y55 HydrophobicContact CD2-CE2 4.27Å; L12-Y55 WeakPolarHBondContact CD2-OH 3.18Å; L12-V75 CarbonylContact O-C 3.51Å; L12-V75 WeakPolarHBondContact O-CA 3.36Å; L12-L76 HydrophobicContact CB-CB 4.22Å; L12-L76 HydrophobicContact CD1-CD2 4.11Å; L12-L76 PolarHBondContact N-O 3.06Å; L12-L76 PolarHBondContact O-N 2.87Å
13D97.7Very high89.7Confident96 Ų9672.2 Ų72.251%0.51335%0.354SS..EExtended strand (participates in β ladder)trans-70.8114.6165.1-178-7.1000108.5K15D13-K15 WeakPolarHBondContact OD1-CD 3.4Å; D13-K15 VanDerWaalsContact OD1-CG 3.3Å; D13-K15 WeakPolarHBondContact OD1-CG 3.35Å; D13-K15 PolarHBondContact OD1-N 3.22Å; D13-K15 IonicContact OD1-NZ 2.87Å; D13-K15 IonicContact OD2-NZ 2.76Å; D13-K15 PolarHBondContact OD2-NZ 3.31Å
14V97.8Very high92.1Very high4 Ų470 Ų702%0.02435%0.345CS..  trans-130.222.9-178.4-630000111.4L12 H16 F17 L22 F51 L70 G74 L76L12-V14 HydrophobicContact CB-CG1 3.98Å; L12-V14 PolarHBondContact O-N 2.86Å; V14-H16 PolarHBondContact O-N 2.65Å; V14-F17 HydrophobicContact CB-CD2 4.35Å; V14-F17 PolarHBondContact O-N 3.01Å; V14-L22 HydrophobicContact CB-CD1 4.17Å; V14-L22 HydrophobicContact CB-CD2 4.26Å; V14-L22 HydrophobicContact CG1-CD2 4.26Å; V14-L22 HydrophobicContact CG2-CD1 3.75Å; V14-F51 HydrophobicContact CG1-CE1 4.1Å; V14-F51 HydrophobicContact CG1-CZ 3.88Å; V14-L70 HydrophobicContact CG2-CD1 3.59Å; V14-G74 CarbonylContact C-O 3.58Å; V14-G74 VanDerWaalsContact CG2-O 3.29Å; V14-G74 WeakPolarHBondContact CG2-O 3.48Å; V14-G74 PolarHBondContact N-O 2.87Å; V14-L76 HydrophobicContact CG1-CB 4.28Å; V14-L76 HydrophobicContact CG2-CB 3.71Å
15K95.9Very high94Very high120 Ų12070 Ų7052%0.52234%0.343SS..THydrogen-bonded Turntrans-55.9-14.5-175.871.2-166.2170.1-141.50116.1D13 G74D13-K15 WeakPolarHBondContact OD1-CD 3.4Å; D13-K15 VanDerWaalsContact OD1-CG 3.3Å; D13-K15 WeakPolarHBondContact OD1-CG 3.35Å; D13-K15 PolarHBondContact OD1-N 3.22Å; D13-K15 IonicContact OD1-NZ 2.87Å; D13-K15 IonicContact OD2-NZ 2.76Å; D13-K15 PolarHBondContact OD2-NZ 3.31Å; K15-G74 PolarHBondContact N-O 3.04Å
16H93.9Very high95.5Very high96 Ų9663.8 Ų63.844%0.44432%0.321SS..THydrogen-bonded Turntrans-92.35.8177.2-57.6-59.7000113.9V14V14-H16 PolarHBondContact O-N 2.65Å
17F96Very high96.2Very high29 Ų2964 Ų6413%0.12732%0.322CS..SBendtrans-126.2139.7-179.2-61.7-93.7000109.8V14 E21 L22 H37 R49 F51V14-F17 HydrophobicContact CB-CD2 4.35Å; V14-F17 PolarHBondContact O-N 3.01Å; F17-E21 WeakPolarHBondContact CA-OE2 3.42Å; F17-E21 HydrophobicContact CB-CB 4.36Å; F17-E21 HydrophobicContact CD1-CB 4.34Å; F17-L22 HydrophobicContact CB-CD1 4.39Å; F17-L22 HydrophobicContact CB-CD2 3.79Å; F17-L22 HydrophobicContact CB-CG 3.98Å; F17-L22 HydrophobicContact CG-CD2 4.08Å; F17-H37 HydrophobicContact CD1-CB 4.01Å; F17-H37 HydrophobicContact CE1-CB 3.94Å; F17-R49 HydrophobicContact CE1-CB 4.06Å; F17-R49 WeakPolarHBondContact CE1-O 3.3Å; F17-R49 HydrophobicContact CZ-CB 3.67Å; F17-F51 HydrophobicContact CD2-CD1 4.43Å; F17-F51 HydrophobicContact CD2-CE1 4Å; F17-F51 HydrophobicContact CE1-CD1 4.21Å; F17-F51 HydrophobicContact CE1-CE1 4.35Å; F17-F51 AromaticContact CE2-CD1 3.69Å; F17-F51 HydrophobicContact CE2-CD1 3.69Å; F17-F51 AromaticContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CG-CE1 4.45Å; F17-F51 AromaticContact CZ-CD1 3.57Å; F17-F51 HydrophobicContact CZ-CD1 3.57Å; F17-F51 AromaticContact CZ-CE1 3.92Å; F17-F51 HydrophobicContact CZ-CE1 3.92Å
18S94.6Very high96.6Very high37 Ų3762 Ų6226%0.25933%0.333SS..  trans-76.8160.5168.5860000110.8E20 E21S18-E20 VanDerWaalsContact CB-OE2 3.23Å; S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 3Å; S18-E20 VanDerWaalsContact O-N 3.16Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 WeakPolarHBondContact O-CB 3.45Å; S18-E21 PolarHBondContact O-N 3.05Å
19P96.3Very high96.7Very high79 Ų7965 Ų6551%0.51335%0.35SS..G310 helixtrans-53.8-35.1176.8-22.129.6000113.4E21 L22 L70P19-E21 VanDerWaalsContact C-N 3.29Å; P19-E21 PolarHBondContact O-N 3.05Å; P19-L22 PolarHBondContact O-N 2.62Å; P19-L70 HydrophobicContact CB-CD2 4.29Å; P19-L70 HydrophobicContact CG-CD2 3.93Å
20E97.1Very high96.9Very high158 Ų15864.9 Ų64.974%0.73835%0.348SS*.G310 helixtrans-73-21.4-178.3-54.672.4-15400112.9S18 L22S18-E20 VanDerWaalsContact CB-OE2 3.23Å; S18-E20 WeakPolarHBondContact CB-OE2 3.39Å; S18-E20 PolarHBondContact O-N 3Å; S18-E20 VanDerWaalsContact O-N 3.16Å; S18-E20 PolarHBondContact OG-OE2 3.29Å; E20-L22 VanDerWaalsContact C-N 3.31Å
21E97.3Very high97Very high26 Ų2664.1 Ų64.112%0.12134%0.343CS..G310 helixtrans-86-6.4177.1-67.4178.6149.100112.7F17 S18 P19 G35 K36 H37 R40F17-E21 WeakPolarHBondContact CA-OE2 3.42Å; F17-E21 HydrophobicContact CB-CB 4.36Å; F17-E21 HydrophobicContact CD1-CB 4.34Å; S18-E21 PolarHBondContact N-OE2 3.49Å; S18-E21 WeakPolarHBondContact O-CB 3.45Å; S18-E21 PolarHBondContact O-N 3.05Å; P19-E21 VanDerWaalsContact C-N 3.29Å; P19-E21 PolarHBondContact O-N 3.05Å; E21-G35 WeakPolarHBondContact O-CA 3.49Å; E21-K36 WeakPolarHBondContact CB-O 3.46Å; E21-K36 PolarHBondContact O-N 2.87Å; E21-H37 VanDerWaalsContact CD-ND1 3.28Å; E21-H37 IonicContact OE1-CE1 2.83Å; E21-H37 IonicContact OE1-CG 2.81Å; E21-H37 IonicContact OE1-ND1 3.69Å; E21-H37 PolarHBondContact OE1-ND1 3.36Å; E21-H37 IonicContact OE2-CG 3.61Å; E21-H37 IonicContact OE2-ND1 3.84Å; E21-H37 PolarHBondContact OE2-ND1 3.4Å; E21-R40 IonicContact OE1-CZ 3.32Å; E21-R40 IonicContact OE1-NE 3.64Å; E21-R40 IonicContact OE1-NH2 2.66Å; E21-R40 PolarHBondContact OE1-NH2 2.87Å
22L98.4Very high97Very high28 Ų2861.6 Ų61.615%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-105.2138.5-178.5-63.4171.8000110.9V14 F17 P19 E20 H34 F51 L70V14-L22 HydrophobicContact CB-CD1 4.17Å; V14-L22 HydrophobicContact CB-CD2 4.26Å; V14-L22 HydrophobicContact CG1-CD2 4.26Å; V14-L22 HydrophobicContact CG2-CD1 3.75Å; F17-L22 HydrophobicContact CB-CD1 4.39Å; F17-L22 HydrophobicContact CB-CD2 3.79Å; F17-L22 HydrophobicContact CB-CG 3.98Å; F17-L22 HydrophobicContact CG-CD2 4.08Å; P19-L22 PolarHBondContact O-N 2.62Å; E20-L22 VanDerWaalsContact C-N 3.31Å; L22-H34 CarbonylContact C-O 3.52Å; L22-H34 WeakPolarHBondContact CA-O 3.33Å; L22-F51 HydrophobicContact CD2-CE1 3.98Å; L22-F51 HydrophobicContact CD2-CZ 3.95Å; L22-L70 HydrophobicContact CD1-CD2 4.12Å
23K98.4Very high97.1Very high115 Ų11561.5 Ų61.550%0.533%0.327SS..EExtended strand (participates in β ladder)trans-133.2123.8175.4-165.2169.9-164167.80110.2K25 V33 H34K23-K25 HydrophobicContact CG-CG 4.39Å; K23-V33 WeakPolarHBondContact O-CA 3.27Å; K23-H34 HydrophobicContact CB-CB 4.47Å; K23-H34 PolarHBondContact N-O 2.81Å; K23-H34 PolarHBondContact O-N 2.78Å
24V98.3Very high97.1Very high47 Ų4759.5 Ų59.529%0.28532%0.315SS..EExtended strand (participates in β ladder)trans-110.1131.7172.9-175.10000108.5I31 E32 V33 L76 V78V24-I31 HydrophobicContact CG1-CG2 4.03Å; V24-E32 CarbonylContact C-O 3.54Å; V24-E32 WeakPolarHBondContact CA-O 3.15Å; V24-V33 HydrophobicContact CG2-CG1 4.37Å; V24-V33 HydrophobicContact CG2-CG2 4.38Å; V24-L76 HydrophobicContact CG2-CD1 4.48Å; V24-L76 HydrophobicContact CG2-CD2 4.04Å; V24-V78 HydrophobicContact CG1-CG2 4.24Å; V24-V78 HydrophobicContact CG2-CG2 4.5Å
25K98.2Very high97.1Very high93 Ų9359.3 Ų59.340%0.40431%0.314SS..EExtended strand (participates in β ladder)trans-133148.5175.2-65.5178.5-177.91740110.3K23 I31 E32K23-K25 HydrophobicContact CG-CG 4.39Å; K25-I31 CarbonylContact O-C 3.58Å; K25-I31 WeakPolarHBondContact O-CA 3.44Å; K25-E32 PolarHBondContact N-O 2.98Å; K25-E32 PolarHBondContact O-N 2.79Å
26V97.9Very high97.2Very high60 Ų6057.8 Ų57.836%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-110.4121.7167.1176.70000107.6V30 I31 I57 P63 I66V26-V30 WeakPolarHBondContact CA-O 3.36Å; V26-I31 HydrophobicContact CG2-CG1 4.28Å; V26-I57 HydrophobicContact CG1-CD1 3.78Å; V26-P63 HydrophobicContact CG1-CB 3.8Å; V26-I66 HydrophobicContact CG2-CB 4.34Å; V26-I66 HydrophobicContact CG2-CD1 4.17Å; V26-I66 HydrophobicContact CG2-CG2 4.24Å
27L96.6Very high97.3Very high92 Ų9254.3 Ų54.348%0.48229%0.291SS..EExtended strand (participates in β ladder)trans-124.497.7179-61.1179.6000108.2D29 V30 E32L27-D29 PolarHBondContact O-N 2.88Å; L27-D29 VanDerWaalsContact O-N 3.1Å; L27-V30 PolarHBondContact N-O 2.99Å; L27-V30 PolarHBondContact O-N 2.91Å; L27-V30 VanDerWaalsContact O-N 3.12Å; L27-E32 VanDerWaalsContact CD1-CD 3.49Å; L27-E32 HydrophobicContact CD1-CG 4.21Å; L27-E32 WeakPolarHBondContact CD1-OE2 3.43Å
28G94.9Very high97.2Very high63 Ų6359 Ų5965%0.64931%0.314SS*.THydrogen-bonded Turntrans62.2-111.7-173.100000111.2
29D95.8Very high97.2Very high68 Ų6864.1 Ų64.136%0.36433%0.333SS..THydrogen-bonded Turntrans-107.121.5-179.462.64.2000113.1L27 R56 I57L27-D29 PolarHBondContact O-N 2.88Å; L27-D29 VanDerWaalsContact O-N 3.1Å; D29-R56 IonicContact OD1-CZ 3.72Å; D29-R56 IonicContact OD1-NH1 2.87Å; D29-R56 PolarHBondContact OD1-NH1 2.83Å; D29-R56 IonicContact OD1-NH2 3.94Å; D29-R56 IonicContact OD2-CZ 3.03Å; D29-R56 IonicContact OD2-NH1 3.6Å; D29-R56 PolarHBondContact OD2-NH1 3.18Å; D29-R56 IonicContact OD2-NH2 2.62Å; D29-R56 PolarHBondContact OD2-NH2 3.29Å; D29-I57 WeakPolarHBondContact O-CB 3.44Å; D29-I57 PolarHBondContact O-N 2.83Å
30V97.8Very high96.9Very high30 Ų3066.5 Ų66.518%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-125.7132.4177.31790000110.6V26 L27 E32 K54 Y55V26-V30 WeakPolarHBondContact CA-O 3.36Å; L27-V30 PolarHBondContact N-O 2.99Å; L27-V30 PolarHBondContact O-N 2.91Å; L27-V30 VanDerWaalsContact O-N 3.12Å; V30-E32 HydrophobicContact CG1-CG 4.2Å; V30-K54 HydrophobicContact CG1-CB 3.9Å; V30-K54 HydrophobicContact CG1-CD 4.27Å; V30-K54 HydrophobicContact CG1-CG 4.43Å; V30-Y55 CarbonylContact C-O 3.53Å; V30-Y55 WeakPolarHBondContact CA-O 3.39Å
31I98.4Very high96.5Very high1 Ų166.3 Ų66.31%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-89.2127.8163.3-61.9154000107.9F8 V24 K25 V26 V33 K54 Y55 I57 I66 V78F8-I31 HydrophobicContact CE1-CD1 3.54Å; F8-I31 HydrophobicContact CZ-CD1 3.95Å; V24-I31 HydrophobicContact CG1-CG2 4.03Å; K25-I31 CarbonylContact O-C 3.58Å; K25-I31 WeakPolarHBondContact O-CA 3.44Å; V26-I31 HydrophobicContact CG2-CG1 4.28Å; I31-V33 HydrophobicContact CG2-CG2 4.04Å; I31-K54 CarbonylContact O-C 3.56Å; I31-K54 VanDerWaalsContact O-CA 3.27Å; I31-K54 WeakPolarHBondContact O-CA 3.19Å; I31-Y55 PolarHBondContact N-O 3.29Å; I31-Y55 PolarHBondContact O-N 2.79Å; I31-I57 HydrophobicContact CD1-CG1 3.99Å; I31-I57 HydrophobicContact CG1-CD1 3.98Å; I31-I57 HydrophobicContact CG1-CG1 3.81Å; I31-I66 HydrophobicContact CD1-CD1 4.03Å; I31-I66 HydrophobicContact CD1-CG2 4.42Å; I31-I66 HydrophobicContact CG1-CD1 4.05Å; I31-V78 HydrophobicContact CD1-CG1 3.82Å; I31-V78 HydrophobicContact CG1-CG1 4.45Å; I31-V78 HydrophobicContact CG2-CG1 4.19Å
32E98.6Very high95.7Very high48 Ų4868 Ų6822%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-107.9128.1168.9-58.1-168.2153.600109.7V24 K25 L27 V30 K54V24-E32 CarbonylContact C-O 3.54Å; V24-E32 WeakPolarHBondContact CA-O 3.15Å; K25-E32 PolarHBondContact N-O 2.98Å; K25-E32 PolarHBondContact O-N 2.79Å; L27-E32 VanDerWaalsContact CD1-CD 3.49Å; L27-E32 HydrophobicContact CD1-CG 4.21Å; L27-E32 WeakPolarHBondContact CD1-OE2 3.43Å; V30-E32 HydrophobicContact CG1-CG 4.2Å; E32-K54 HydrophobicContact CG-CD 4.15Å; E32-K54 HydrophobicContact CG-CG 4.14Å; E32-K54 WeakPolarHBondContact OE1-CE 3.41Å; E32-K54 IonicContact OE1-NZ 3.49Å; E32-K54 PolarHBondContact OE1-NZ 3.05Å
33V98.6Very high94.9Very high1 Ų175.5 Ų75.51%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-116.5118.9171.8-171.60000108.1L12 K23 V24 I31 F51 R53 L76L12-V33 HydrophobicContact CD1-CB 4.08Å; L12-V33 HydrophobicContact CD1-CG1 3.89Å; L12-V33 HydrophobicContact CD1-CG2 3.91Å; K23-V33 WeakPolarHBondContact O-CA 3.27Å; V24-V33 HydrophobicContact CG2-CG1 4.37Å; V24-V33 HydrophobicContact CG2-CG2 4.38Å; I31-V33 HydrophobicContact CG2-CG2 4.04Å; V33-F51 HydrophobicContact CB-CE2 4.21Å; V33-F51 HydrophobicContact CG1-CE2 3.71Å; V33-F51 HydrophobicContact CG1-CZ 3.92Å; V33-R53 PolarHBondContact N-O 3.08Å; V33-R53 PolarHBondContact O-N 2.85Å; V33-L76 HydrophobicContact CG1-CD2 3.64Å
34H98.6Very high94.2Very high54 Ų5478.4 Ų78.425%0.2539%0.39CS..EExtended strand (participates in β ladder)trans-116.1127.7175.5175.6-148.4000108.5L22 K23 E50 F51 H52L22-H34 CarbonylContact C-O 3.52Å; L22-H34 WeakPolarHBondContact CA-O 3.33Å; K23-H34 HydrophobicContact CB-CB 4.47Å; K23-H34 PolarHBondContact N-O 2.81Å; K23-H34 PolarHBondContact O-N 2.78Å; H34-E50 IonicContact CD2-OE1 3.86Å; H34-E50 IonicContact CE1-OE1 3.01Å; H34-E50 IonicContact NE2-OE1 2.83Å; H34-E50 PolarHBondContact NE2-OE1 3.12Å; H34-F51 WeakPolarHBondContact CA-O 3.37Å; H34-F51 PolarHBondContact CD2-O 2.82Å; H34-H52 AromaticContact CD2-CD2 3.85Å; H34-H52 AromaticContact CD2-CE1 3.05Å; H34-H52 PolarHBondContact CD2-CE1 2.84Å; H34-H52 AromaticContact CD2-ND1 3.56Å; H34-H52 AromaticContact CD2-NE2 3.25Å; H34-H52 PolarHBondContact CD2-NE2 2.97Å; H34-H52 AromaticContact CE1-CE1 3.79Å; H34-H52 AromaticContact CG-CE1 3.59Å; H34-H52 AromaticContact CG-ND1 3.9Å; H34-H52 AromaticContact NE2-CE1 3.2Å; H34-H52 PolarHBondContact NE2-CE1 3.12Å; H34-H52 AromaticContact NE2-NE2 3.22Å; H34-H52 PolarHBondContact NE2-NE2 2.67Å
35G98.4Very high93.8Very high0 Ų077.5 Ų77.50%039%0.391CS..EExtended strand (participates in β ladder)trans-121.5129.8168.900000109.3E21 E50 F51E21-G35 WeakPolarHBondContact O-CA 3.49Å; G35-E50 CarbonylContact O-C 3.58Å; G35-E50 VanDerWaalsContact O-CA 3.29Å; G35-E50 WeakPolarHBondContact O-CA 3.29Å; G35-F51 PolarHBondContact N-O 2.76Å; G35-F51 PolarHBondContact O-N 2.83Å
36K98Very high93.5Very high89 Ų8979.5 Ų79.539%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-136.7111.8177.7-175.4178.3178.8-169.80110.6E21 E50E21-K36 WeakPolarHBondContact CB-O 3.46Å; E21-K36 PolarHBondContact O-N 2.87Å; K36-E50 HydrophobicContact CB-CG 4.28Å; K36-E50 HydrophobicContact CG-CG 4.31Å
37H95.6Very high93.2Very high22 Ų2278.8 Ų78.810%0.10239%0.393CS..EExtended strand (participates in β ladder)trans-100.7112.5169.2-173.483.6000107.5F17 E21 S48 R49F17-H37 HydrophobicContact CD1-CB 4.01Å; F17-H37 HydrophobicContact CE1-CB 3.94Å; E21-H37 VanDerWaalsContact CD-ND1 3.28Å; E21-H37 IonicContact OE1-CE1 2.83Å; E21-H37 IonicContact OE1-CG 2.81Å; E21-H37 IonicContact OE1-ND1 3.69Å; E21-H37 PolarHBondContact OE1-ND1 3.36Å; E21-H37 IonicContact OE2-CG 3.61Å; E21-H37 IonicContact OE2-ND1 3.84Å; E21-H37 PolarHBondContact OE2-ND1 3.4Å; H37-S48 PolarHBondContact O-OG 3.1Å; H37-R49 HydrophobicContact CB-CB 4.19Å; H37-R49 PolarHBondContact N-O 3Å; H37-R49 PolarHBondContact O-N 2.71Å; H37-R49 VanDerWaalsContact O-N 3.1Å
38E94Very high93.1Very high129 Ų12977.8 Ų77.860%0.60339%0.394SS*.EExtended strand (participates in β ladder)trans-64.7165.9175.2-62.1-165.4154.200111.1R40E38-R40 PolarHBondContact O-N 2.83Å
39E93.4Very high93.1Very high143 Ų14378.6 Ų78.667%0.66838%0.377SS*.EExtended strand (participates in β ladder)trans-60115.9178.6-171.8173-102.400110.4F46 I47E39-F46 HydrophobicContact CG-CB 3.71Å; E39-F46 HydrophobicContact CG-CD1 4.1Å; E39-F46 HydrophobicContact CG-CG 4.27Å; E39-I47 WeakPolarHBondContact CA-O 3.45Å
40R89.7Confident93.2Very high129 Ų12980.3 Ų80.349%0.48738%0.383SS..EExtended strand (participates in β ladder)trans-127.7149.3174.8-60.6-170.8-161.7-166.63.3110E21 E38 F46 I47E21-R40 IonicContact OE1-CZ 3.32Å; E21-R40 IonicContact OE1-NE 3.64Å; E21-R40 IonicContact OE1-NH2 2.66Å; E21-R40 PolarHBondContact OE1-NH2 2.87Å; E38-R40 PolarHBondContact O-N 2.83Å; R40-F46 CarbonylContact O-C 3.54Å; R40-F46 WeakPolarHBondContact O-CA 3.12Å; R40-I47 PolarHBondContact N-O 3.4Å; R40-I47 PolarHBondContact O-N 2.93Å
41Q88.8Confident93.3Very high154 Ų15480.7 Ų80.772%0.7238%0.382SS*.EExtended strand (participates in β ladder)trans-71.2132.8175.1-164.5176-7.100110.1G45 F46Q41-G45 CarbonylContact C-O 3.55Å; Q41-G45 VanDerWaalsContact CA-O 3.26Å; Q41-G45 WeakPolarHBondContact CA-O 3.11Å; Q41-G45 WeakPolarHBondContact CG-O 3.34Å; Q41-F46 HydrophobicContact CB-CD1 4.08Å; Q41-F46 HydrophobicContact CB-CE1 3.89Å; Q41-F46 HydrophobicContact CG-CE1 4.21Å; Q41-F46 HydrophobicContact CG-CZ 4.39Å
42D81.3Confident93.3Very high63 Ų6386.5 Ų86.534%0.33741%0.409SS..EExtended strand (participates in β ladder)trans-121.7-174.2170.373.214.4000110.8H44 G45 I47D42-H44 PolarHBondContact O-N 2.87Å; D42-H44 VanDerWaalsContact O-N 3.13Å; D42-H44 PolarHBondContact OD1-N 2.9Å; D42-G45 PolarHBondContact N-O 3.46Å; D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 2.87Å; D42-I47 HydrophobicContact CB-CG2 4.26Å; D42-I47 WeakPolarHBondContact OD2-CG2 3.39Å
43E82.8Confident93.2Very high185 Ų18590 Ų9086%0.86442%0.42SS*.THydrogen-bonded Turntrans-61.3-19-178-65.4-178.3168.300113.9
44H83.4Confident93.2Very high176 Ų17696.7 Ų96.782%0.81545%0.449SS*.THydrogen-bonded Turntrans-119.82.9-173.2-62.9-58.8000114D42D42-H44 PolarHBondContact O-N 2.87Å; D42-H44 VanDerWaalsContact O-N 3.13Å; D42-H44 PolarHBondContact OD1-N 2.9Å
45G89.5Confident93.2Very high28 Ų2897 Ų9729%0.28945%0.449SS..EExtended strand (participates in β ladder)trans144.3-129.4178.900000111.3Q41 D42Q41-G45 CarbonylContact C-O 3.55Å; Q41-G45 VanDerWaalsContact CA-O 3.26Å; Q41-G45 WeakPolarHBondContact CA-O 3.11Å; Q41-G45 WeakPolarHBondContact CG-O 3.34Å; D42-G45 PolarHBondContact N-O 3.46Å; D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 2.87Å
46F91.5Very high93.1Very high135 Ų135104.8 Ų104.859%0.59248%0.478SS*.EExtended strand (participates in β ladder)trans-119142177.3-65.8-90.5000109.5E39 R40 Q41E39-F46 HydrophobicContact CG-CB 3.71Å; E39-F46 HydrophobicContact CG-CD1 4.1Å; E39-F46 HydrophobicContact CG-CG 4.27Å; R40-F46 CarbonylContact O-C 3.54Å; R40-F46 WeakPolarHBondContact O-CA 3.12Å; Q41-F46 HydrophobicContact CB-CD1 4.08Å; Q41-F46 HydrophobicContact CB-CE1 3.89Å; Q41-F46 HydrophobicContact CG-CE1 4.21Å; Q41-F46 HydrophobicContact CG-CZ 4.39Å
47I91.9Very high93Very high44 Ų44101 Ų10123%0.22646%0.462CS..EExtended strand (participates in β ladder)trans-133136.2178.4-163.1143.3000111.7E39 R40 D42 R49E39-I47 WeakPolarHBondContact CA-O 3.45Å; R40-I47 PolarHBondContact N-O 3.4Å; R40-I47 PolarHBondContact O-N 2.93Å; D42-I47 HydrophobicContact CB-CG2 4.26Å; D42-I47 WeakPolarHBondContact OD2-CG2 3.39Å; I47-R49 HydrophobicContact CG1-CG 4.3Å
48S94.8Very high92.9Very high72 Ų72101.4 Ų101.450%0.50347%0.467SS..EExtended strand (participates in β ladder)trans-129.1141.6171.7174.70000108.3H37H37-S48 PolarHBondContact O-OG 3.1Å
49R95Very high92.8Very high80 Ų80100.7 Ų100.730%0.30248%0.483SS..EExtended strand (participates in β ladder)trans-140.7134.9179.7-60.8-179.2178.587.8-5.3109.5F17 H37 I47F17-R49 HydrophobicContact CE1-CB 4.06Å; F17-R49 WeakPolarHBondContact CE1-O 3.3Å; F17-R49 HydrophobicContact CZ-CB 3.67Å; H37-R49 HydrophobicContact CB-CB 4.19Å; H37-R49 PolarHBondContact N-O 3Å; H37-R49 PolarHBondContact O-N 2.71Å; H37-R49 VanDerWaalsContact O-N 3.1Å; I47-R49 HydrophobicContact CG1-CG 4.3Å
50E98.1Very high92.7Very high103 Ų10395.3 Ų95.348%0.48146%0.459SS..EExtended strand (participates in β ladder)trans-143.4139.3174.4-174167.6-177.900110.7H34 G35 K36 H52H34-E50 IonicContact CD2-OE1 3.86Å; H34-E50 IonicContact CE1-OE1 3.01Å; H34-E50 IonicContact NE2-OE1 2.83Å; H34-E50 PolarHBondContact NE2-OE1 3.12Å; G35-E50 CarbonylContact O-C 3.58Å; G35-E50 VanDerWaalsContact O-CA 3.29Å; G35-E50 WeakPolarHBondContact O-CA 3.29Å; K36-E50 HydrophobicContact CB-CG 4.28Å; K36-E50 HydrophobicContact CG-CG 4.31Å; E50-H52 IonicContact OE1-CD2 3.86Å; E50-H52 IonicContact OE1-CE1 2.79Å; E50-H52 IonicContact OE1-NE2 2.67Å; E50-H52 PolarHBondContact OE1-NE2 2.47Å
51F98.3Very high92.9Very high38 Ų3889.5 Ų89.517%0.16744%0.437CS..EExtended strand (participates in β ladder)trans-141.6149.6172.377.2-94.5000112.2V14 F17 L22 V33 H34 G35 R53V14-F51 HydrophobicContact CG1-CE1 4.1Å; V14-F51 HydrophobicContact CG1-CZ 3.88Å; F17-F51 HydrophobicContact CD2-CD1 4.43Å; F17-F51 HydrophobicContact CD2-CE1 4Å; F17-F51 HydrophobicContact CE1-CD1 4.21Å; F17-F51 HydrophobicContact CE1-CE1 4.35Å; F17-F51 AromaticContact CE2-CD1 3.69Å; F17-F51 HydrophobicContact CE2-CD1 3.69Å; F17-F51 AromaticContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CE2-CE1 3.73Å; F17-F51 HydrophobicContact CG-CE1 4.45Å; F17-F51 AromaticContact CZ-CD1 3.57Å; F17-F51 HydrophobicContact CZ-CD1 3.57Å; F17-F51 AromaticContact CZ-CE1 3.92Å; F17-F51 HydrophobicContact CZ-CE1 3.92Å; L22-F51 HydrophobicContact CD2-CE1 3.98Å; L22-F51 HydrophobicContact CD2-CZ 3.95Å; V33-F51 HydrophobicContact CB-CE2 4.21Å; V33-F51 HydrophobicContact CG1-CE2 3.71Å; V33-F51 HydrophobicContact CG1-CZ 3.92Å; H34-F51 WeakPolarHBondContact CA-O 3.37Å; H34-F51 PolarHBondContact CD2-O 2.82Å; G35-F51 PolarHBondContact N-O 2.76Å; G35-F51 PolarHBondContact O-N 2.83Å; F51-R53 HydrophobicContact CD2-CB 4.45Å; F51-R53 HydrophobicContact CD2-CG 4Å; F51-R53 HydrophobicContact CE2-CG 4.47Å
52H98.3Very high93.1Very high123 Ų12384.7 Ų84.757%0.56942%0.417SS*.EExtended strand (participates in β ladder)trans-129.2117.6172.5-66.8-99.7000108.6H34 E50H34-H52 AromaticContact CD2-CD2 3.85Å; H34-H52 AromaticContact CD2-CE1 3.05Å; H34-H52 PolarHBondContact CD2-CE1 2.84Å; H34-H52 AromaticContact CD2-ND1 3.56Å; H34-H52 AromaticContact CD2-NE2 3.25Å; H34-H52 PolarHBondContact CD2-NE2 2.97Å; H34-H52 AromaticContact CE1-CE1 3.79Å; H34-H52 AromaticContact CG-CE1 3.59Å; H34-H52 AromaticContact CG-ND1 3.9Å; H34-H52 AromaticContact NE2-CE1 3.2Å; H34-H52 PolarHBondContact NE2-CE1 3.12Å; H34-H52 AromaticContact NE2-NE2 3.22Å; H34-H52 PolarHBondContact NE2-NE2 2.67Å; E50-H52 IonicContact OE1-CD2 3.86Å; E50-H52 IonicContact OE1-CE1 2.79Å; E50-H52 IonicContact OE1-NE2 2.67Å; E50-H52 PolarHBondContact OE1-NE2 2.47Å
53R98.1Very high93.8Very high122 Ų12283.9 Ų83.946%0.4642%0.415SS..EExtended strand (participates in β ladder)trans-123.6138.7176.7-72.1-175.1-178.6-170.73.4110.4V33 F51 Y55V33-R53 PolarHBondContact N-O 3.08Å; V33-R53 PolarHBondContact O-N 2.85Å; F51-R53 HydrophobicContact CD2-CB 4.45Å; F51-R53 HydrophobicContact CD2-CG 4Å; F51-R53 HydrophobicContact CE2-CG 4.47Å; R53-Y55 HydrophobicContact CB-CE2 3.81Å; R53-Y55 WeakPolarHBondContact CD-OH 3.44Å
54K98.1Very high94.4Very high142 Ų14282.8 Ų82.862%0.61741%0.414SS*.EExtended strand (participates in β ladder)trans-121.2135.8176.8-55.9-163.4-172.4-161.30110.3V30 I31 E32V30-K54 HydrophobicContact CG1-CB 3.9Å; V30-K54 HydrophobicContact CG1-CD 4.27Å; V30-K54 HydrophobicContact CG1-CG 4.43Å; I31-K54 CarbonylContact O-C 3.56Å; I31-K54 VanDerWaalsContact O-CA 3.27Å; I31-K54 WeakPolarHBondContact O-CA 3.19Å; E32-K54 HydrophobicContact CG-CD 4.15Å; E32-K54 HydrophobicContact CG-CG 4.14Å; E32-K54 WeakPolarHBondContact OE1-CE 3.41Å; E32-K54 IonicContact OE1-NZ 3.49Å; E32-K54 PolarHBondContact OE1-NZ 3.05Å
55Y97.6Very high95Very high60 Ų6076.9 Ų76.924%0.23539%0.391CS..EExtended strand (participates in β ladder)trans-126.2129.3177.8-63.8-80.9000109.7V10 L12 V30 I31 R53V10-Y55 HydrophobicContact CG1-CD1 3.89Å; V10-Y55 HydrophobicContact CG1-CD2 4.04Å; V10-Y55 HydrophobicContact CG1-CE1 3.58Å; V10-Y55 HydrophobicContact CG1-CE2 3.74Å; V10-Y55 HydrophobicContact CG1-CG 4.11Å; V10-Y55 HydrophobicContact CG2-CD1 3.9Å; V10-Y55 HydrophobicContact CG2-CE1 4.36Å; V10-Y55 HydrophobicContact CG2-CG 4.06Å; L12-Y55 HydrophobicContact CD1-CE2 4.2Å; L12-Y55 HydrophobicContact CD2-CE2 4.27Å; L12-Y55 WeakPolarHBondContact CD2-OH 3.18Å; V30-Y55 CarbonylContact C-O 3.53Å; V30-Y55 WeakPolarHBondContact CA-O 3.39Å; I31-Y55 PolarHBondContact N-O 3.29Å; I31-Y55 PolarHBondContact O-N 2.79Å; R53-Y55 HydrophobicContact CB-CE2 3.81Å; R53-Y55 WeakPolarHBondContact CD-OH 3.44Å
56R96.6Very high95.3Very high163 Ų16376.8 Ų76.862%0.61538%0.383SS*.EExtended strand (participates in β ladder)trans-77.8129.2175.5-164.7150.5-179.271.94.5109.8D29D29-R56 IonicContact OD1-CZ 3.72Å; D29-R56 IonicContact OD1-NH1 2.87Å; D29-R56 PolarHBondContact OD1-NH1 2.83Å; D29-R56 IonicContact OD1-NH2 3.94Å; D29-R56 IonicContact OD2-CZ 3.03Å; D29-R56 IonicContact OD2-NH1 3.6Å; D29-R56 PolarHBondContact OD2-NH1 3.18Å; D29-R56 IonicContact OD2-NH2 2.62Å; D29-R56 PolarHBondContact OD2-NH2 3.29Å
57I95.7Very high95.6Very high10 Ų1074.2 Ų74.25%0.05138%0.378CS..PPolyproline II helixtrans-76.1124.7175.4-58.8168.5000107.1V26 D29 I31 V61 P63 I66V26-I57 HydrophobicContact CG1-CD1 3.78Å; D29-I57 WeakPolarHBondContact O-CB 3.44Å; D29-I57 PolarHBondContact O-N 2.83Å; I31-I57 HydrophobicContact CD1-CG1 3.99Å; I31-I57 HydrophobicContact CG1-CD1 3.98Å; I31-I57 HydrophobicContact CG1-CG1 3.81Å; I57-V61 HydrophobicContact CG2-CB 3.68Å; I57-V61 HydrophobicContact CG2-CG1 3.84Å; I57-P63 HydrophobicContact CD1-CB 4.09Å; I57-P63 HydrophobicContact CD1-CG 4.31Å; I57-I66 HydrophobicContact CD1-CD1 3.33Å; I57-I66 HydrophobicContact CG1-CD1 3.73Å; I57-I66 HydrophobicContact CG2-CD1 4.14Å
58P93.6Very high95.8Very high30 Ų3075.3 Ų75.320%0.19539%0.39CS..PPolyproline II helixtrans-58.6147.5172.8-24.835.2000111.8F8 D60 V61F8-P58 HydrophobicContact CD2-CG 3.61Å; F8-P58 HydrophobicContact CE2-CG 4.08Å; F8-P58 HydrophobicContact CG-CG 4.28Å; P58-D60 VanDerWaalsContact CB-OD1 3.26Å; P58-D60 WeakPolarHBondContact CB-OD1 3.43Å; P58-D60 PolarHBondContact O-N 2.82Å; P58-V61 HydrophobicContact CB-CG2 4.16Å; P58-V61 HydrophobicContact CG-CG2 4.22Å; P58-V61 PolarHBondContact O-N 3.08Å
59A92.1Very high96Very high114 Ų11475 Ų7594%0.94239%0.388SS*.THydrogen-bonded Turntrans-61.5-19.2-177.400000114.3
60D91.6Very high96.1Very high30 Ų3074.3 Ų74.316%0.1639%0.39CS..THydrogen-bonded Turntrans-93.36.1177.662.5-3.3000113.8P58 R82 K83 V85P58-D60 VanDerWaalsContact CB-OD1 3.26Å; P58-D60 WeakPolarHBondContact CB-OD1 3.43Å; P58-D60 PolarHBondContact O-N 2.82Å; D60-R82 VanDerWaalsContact CG-NE 3.34Å; D60-R82 IonicContact OD1-CZ 3.6Å; D60-R82 IonicContact OD1-NE 3.01Å; D60-R82 PolarHBondContact OD1-NE 2.82Å; D60-R82 IonicContact OD1-NH2 3.31Å; D60-R82 PolarHBondContact OD1-NH2 3.48Å; D60-R82 IonicContact OD2-CZ 3.11Å; D60-R82 IonicContact OD2-NE 3Å; D60-R82 PolarHBondContact OD2-NE 3Å; D60-R82 IonicContact OD2-NH2 2.65Å; D60-R82 PolarHBondContact OD2-NH2 2.85Å; D60-K83 WeakPolarHBondContact O-CB 3.37Å; D60-K83 PolarHBondContact O-N 2.83Å; D60-V85 HydrophobicContact CB-CG2 4.35Å
61V93.9Very high96.1Very high7 Ų771.6 Ų71.64%0.04238%0.382CS..BIsolated β-bridgetrans-105131.3172.1178.10000108.9F8 I57 P58 P63 I66 R82F8-V61 HydrophobicContact CB-CG2 3.5Å; F8-V61 HydrophobicContact CG-CG2 4.14Å; I57-V61 HydrophobicContact CG2-CB 3.68Å; I57-V61 HydrophobicContact CG2-CG1 3.84Å; P58-V61 HydrophobicContact CB-CG2 4.16Å; P58-V61 HydrophobicContact CG-CG2 4.22Å; P58-V61 PolarHBondContact O-N 3.08Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å; V61-I66 HydrophobicContact CG1-CD1 4.46Å; V61-I66 HydrophobicContact CG1-CG1 4.2Å; V61-R82 HydrophobicContact CG2-CG 3.66Å
62D93.9Very high96Very high53 Ų5376.3 Ų76.328%0.28342%0.42SS..  trans-78.7117.4171.7-175.7-16.9000109.8L64 T65D62-L64 PolarHBondContact O-N 2.94Å; D62-L64 VanDerWaalsContact O-N 3.12Å; D62-L64 WeakPolarHBondContact OD1-CB 3.42Å; D62-L64 PolarHBondContact OD1-N 3.04Å; D62-T65 HydrophobicContact CB-CG2 3.83Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 2.87Å
63P95.4Very high95.9Very high46 Ų4675.8 Ų75.830%0.29942%0.421SS..G310 helixtrans-56.1-28.7-179.6-2535000114.2V26 I57 V61 T65 I66V26-P63 HydrophobicContact CG1-CB 3.8Å; I57-P63 HydrophobicContact CD1-CB 4.09Å; I57-P63 HydrophobicContact CD1-CG 4.31Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-T65 PolarHBondContact O-N 2.91Å; P63-I66 PolarHBondContact O-N 3.22Å
64L95.1Very high95.8Very high162 Ų16270.4 Ų70.485%0.84840%0.404SS*.G310 helixtrans-73.8-17.1-179.9-62.4178.5000113.3D62D62-L64 PolarHBondContact O-N 2.94Å; D62-L64 VanDerWaalsContact O-N 3.12Å; D62-L64 WeakPolarHBondContact OD1-CB 3.42Å; D62-L64 PolarHBondContact OD1-N 3.04Å
65T95.1Very high95.8Very high53 Ų5365.5 Ų65.533%0.32539%0.386SS..G310 helixtrans-94.6-0.9-179.266.80000113D62 P63 P81D62-T65 HydrophobicContact CB-CG2 3.83Å; D62-T65 PolarHBondContact O-N 2.88Å; D62-T65 PolarHBondContact O-OG1 2.87Å; P63-T65 PolarHBondContact O-N 2.91Å; T65-P81 WeakPolarHBondContact OG1-CD 3.35Å
66I96.9Very high95.9Very high26 Ų2663 Ų6313%0.13338%0.377CS..  trans-70.1133-180-67.5170.9000109.7V26 I31 I57 V61 P63 V78 N79V26-I66 HydrophobicContact CG2-CB 4.34Å; V26-I66 HydrophobicContact CG2-CD1 4.17Å; V26-I66 HydrophobicContact CG2-CG2 4.24Å; I31-I66 HydrophobicContact CD1-CD1 4.03Å; I31-I66 HydrophobicContact CD1-CG2 4.42Å; I31-I66 HydrophobicContact CG1-CD1 4.05Å; I57-I66 HydrophobicContact CD1-CD1 3.33Å; I57-I66 HydrophobicContact CG1-CD1 3.73Å; I57-I66 HydrophobicContact CG2-CD1 4.14Å; V61-I66 HydrophobicContact CG1-CD1 4.46Å; V61-I66 HydrophobicContact CG1-CG1 4.2Å; P63-I66 PolarHBondContact O-N 3.22Å; I66-V78 HydrophobicContact CG2-CG1 3.56Å; I66-N79 WeakPolarHBondContact CA-O 3.23Å
67T97.2Very high96Very high80 Ų8056.6 Ų56.649%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-128.4163.5175.864.50000110.4V78 N79T67-V78 WeakPolarHBondContact O-CA 3.48Å; T67-N79 PolarHBondContact N-O 2.81Å; T67-N79 PolarHBondContact O-N 2.78Å; T67-N79 PolarHBondContact OG1-OD1 3.13Å
68S97.5Very high96.1Very high67 Ų6756.3 Ų56.347%0.46935%0.354SS..EExtended strand (participates in β ladder)trans-135.9147.2175.560.10000111.9T77S68-T77 CarbonylContact C-O 3.56Å; S68-T77 WeakPolarHBondContact CA-O 3.45Å
69S97.6Very high96.2Very high67 Ų6756.3 Ų56.347%0.46935%0.353SS..EExtended strand (participates in β ladder)trans-141.3150.4171.658.70000110.5T77S69-T77 PolarHBondContact N-O 2.8Å; S69-T77 PolarHBondContact O-N 2.91Å
70L98.1Very high96.3Very high64 Ų6450.9 Ų50.934%0.33531%0.308SS..EExtended strand (participates in β ladder)trans-115.9123.1174.4177.759.2000108.4V14 P19 L22 L76V14-L70 HydrophobicContact CG2-CD1 3.59Å; P19-L70 HydrophobicContact CB-CD2 4.29Å; P19-L70 HydrophobicContact CG-CD2 3.93Å; L22-L70 HydrophobicContact CD1-CD2 4.12Å; L70-L76 HydrophobicContact CD1-CB 4.23Å
71S97.8Very high96.3Very high46 Ų4652.9 Ų52.932%0.32232%0.323SS..  trans-79.8161.8176.255.80000111.8D73 G74 V75S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 PolarHBondContact OG-OD1 3.05Å; S71-G74 PolarHBondContact O-N 3.34Å; S71-V75 PolarHBondContact N-O 3.29Å; S71-V75 VanDerWaalsContact N-O 3.08Å; S71-V75 WeakPolarHBondContact OG-CA 3.29Å; S71-V75 WeakPolarHBondContact OG-CB 3.46Å; S71-V75 PolarHBondContact OG-N 3.25Å; S71-V75 PolarHBondContact OG-O 2.83Å; S71-V75 VanDerWaalsContact OG-O 3.08Å
72S95.9Very high96.1Very high138 Ų13855.2 Ų55.297%0.96533%0.331SS*.THydrogen-bonded Turntrans-65.5-21.6179.351.50000114.1G74S72-G74 VanDerWaalsContact C-N 3.28Å
73D95.7Very high95.7Very high111 Ų11159.1 Ų59.159%0.59435%0.345SS*.THydrogen-bonded Turntrans-86.87173.466.2-20000113.3S71S71-D73 WeakPolarHBondContact CB-OD1 3.35Å; S71-D73 PolarHBondContact O-N 3.2Å; S71-D73 PolarHBondContact OG-OD1 3.05Å
74G97Very high94.6Very high10 Ų1064.2 Ų64.210%0.10337%0.365CS..SBendtrans8524.9171.900000114.7V14 K15 S71 S72V14-G74 CarbonylContact C-O 3.58Å; V14-G74 VanDerWaalsContact CG2-O 3.29Å; V14-G74 WeakPolarHBondContact CG2-O 3.48Å; V14-G74 PolarHBondContact N-O 2.87Å; K15-G74 PolarHBondContact N-O 3.04Å; S71-G74 PolarHBondContact O-N 3.34Å; S72-G74 VanDerWaalsContact C-N 3.28Å
75V98.3Very high93.2Very high38 Ų3862 Ų6223%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-100.5111.9175.9-174.50000110.6N11 L12 S71N11-V75 HydrophobicContact CB-CG1 4.03Å; L12-V75 CarbonylContact O-C 3.51Å; L12-V75 WeakPolarHBondContact O-CA 3.36Å; S71-V75 PolarHBondContact N-O 3.29Å; S71-V75 VanDerWaalsContact N-O 3.08Å; S71-V75 WeakPolarHBondContact OG-CA 3.29Å; S71-V75 WeakPolarHBondContact OG-CB 3.46Å; S71-V75 PolarHBondContact OG-N 3.25Å; S71-V75 PolarHBondContact OG-O 2.83Å; S71-V75 VanDerWaalsContact OG-O 3.08Å
76L98.5Very high91.7Very high7 Ų765 Ų654%0.03738%0.381CS..EExtended strand (participates in β ladder)trans-78.4120.9169.6172.164.9000109.1N11 L12 V14 V24 V33 L70 V78N11-L76 CarbonylContact C-O 3.59Å; N11-L76 WeakPolarHBondContact CA-O 3.31Å; L12-L76 HydrophobicContact CB-CB 4.22Å; L12-L76 HydrophobicContact CD1-CD2 4.11Å; L12-L76 PolarHBondContact N-O 3.06Å; L12-L76 PolarHBondContact O-N 2.87Å; V14-L76 HydrophobicContact CG1-CB 4.28Å; V14-L76 HydrophobicContact CG2-CB 3.71Å; V24-L76 HydrophobicContact CG2-CD1 4.48Å; V24-L76 HydrophobicContact CG2-CD2 4.04Å; V33-L76 HydrophobicContact CG1-CD2 3.64Å; L70-L76 HydrophobicContact CD1-CB 4.23Å; L76-V78 HydrophobicContact CD1-CG2 4.48Å; L76-V78 HydrophobicContact CG-CG2 4.32Å
77T98.2Very high90.2Very high30 Ų3066.1 Ų66.118%0.18440%0.399CS..EExtended strand (participates in β ladder)trans-107.5124.1173.5-59.80000109V10 N11 S68 S69 N79V10-T77 WeakPolarHBondContact O-CA 3.26Å; N11-T77 WeakPolarHBondContact OD1-CG2 3.37Å; N11-T77 PolarHBondContact OD1-OG1 3.43Å; S68-T77 CarbonylContact C-O 3.56Å; S68-T77 WeakPolarHBondContact CA-O 3.45Å; S69-T77 PolarHBondContact N-O 2.8Å; S69-T77 PolarHBondContact O-N 2.91Å; T77-N79 HydrophobicContact CG2-CB 4.36Å
78V97.9Very high88.9Confident3 Ų368.5 Ų68.52%0.01842%0.416CS..EExtended strand (participates in β ladder)trans-112.3124.6168-174.50000107.9S9 V10 V24 I31 I66 T67 L76S9-V78 WeakPolarHBondContact CA-O 3.39Å; V10-V78 PolarHBondContact N-O 2.98Å; V10-V78 PolarHBondContact O-N 3.1Å; V24-V78 HydrophobicContact CG1-CG2 4.24Å; V24-V78 HydrophobicContact CG2-CG2 4.5Å; I31-V78 HydrophobicContact CD1-CG1 3.82Å; I31-V78 HydrophobicContact CG1-CG1 4.45Å; I31-V78 HydrophobicContact CG2-CG1 4.19Å; I66-V78 HydrophobicContact CG2-CG1 3.56Å; T67-V78 WeakPolarHBondContact O-CA 3.48Å; L76-V78 HydrophobicContact CD1-CG2 4.48Å; L76-V78 HydrophobicContact CG-CG2 4.32Å
79N95.9Very high87.8Confident30 Ų3074.3 Ų74.316%0.1644%0.435CS..EExtended strand (participates in β ladder)trans-145.3161.9-173.872.467.2000113.1F8 I66 T67 T77F8-N79 CarbonylContact O-C 3.58Å; F8-N79 WeakPolarHBondContact O-CA 3.47Å; F8-N79 VanDerWaalsContact O-CB 3.31Å; F8-N79 WeakPolarHBondContact O-CB 3.47Å; I66-N79 WeakPolarHBondContact CA-O 3.23Å; T67-N79 PolarHBondContact N-O 2.81Å; T67-N79 PolarHBondContact O-N 2.78Å; T67-N79 PolarHBondContact OG1-OD1 3.13Å; T77-N79 HydrophobicContact CG2-CB 4.36Å
80G94.2Very high87.1Confident0 Ų080.7 Ų80.70%045%0.449CS..EExtended strand (participates in β ladder)trans-160.6150.8173.500000111.8R7 F8R7-G80 WeakPolarHBondContact CG-O 3.26Å; F8-G80 PolarHBondContact N-O 2.89Å; F8-G80 PolarHBondContact O-N 3.02Å
81P93.1Very high86.4Confident72 Ų7283.9 Ų83.947%0.46847%0.471SS..EExtended strand (participates in β ladder)trans-63.7140.9175.628.2-34.7000110.7T65T65-P81 WeakPolarHBondContact OG1-CD 3.35Å
82R89.9Confident86Confident57 Ų5787 Ų8722%0.21548%0.483CS..BIsolated β-bridgetrans-92.7135.4168.6-65.6-17979.6-167.41.4108.7D6 F8 D60 V61 Q84D6-R82 PolarHBondContact O-N 3.17Å; F8-R82 HydrophobicContact CB-CG 4.16Å; D60-R82 VanDerWaalsContact CG-NE 3.34Å; D60-R82 IonicContact OD1-CZ 3.6Å; D60-R82 IonicContact OD1-NE 3.01Å; D60-R82 PolarHBondContact OD1-NE 2.82Å; D60-R82 IonicContact OD1-NH2 3.31Å; D60-R82 PolarHBondContact OD1-NH2 3.48Å; D60-R82 IonicContact OD2-CZ 3.11Å; D60-R82 IonicContact OD2-NE 3Å; D60-R82 PolarHBondContact OD2-NE 3Å; D60-R82 IonicContact OD2-NH2 2.65Å; D60-R82 PolarHBondContact OD2-NH2 2.85Å; V61-R82 HydrophobicContact CG2-CG 3.66Å; R82-Q84 PolarHBondContact O-N 2.97Å
83K84.1Confident85.5Confident135 Ų13585.5 Ų85.559%0.58747%0.47SS*.PPolyproline II helixtrans-61.6124168.4-68.4175.7-177.4174.80107.5D60 V85D60-K83 WeakPolarHBondContact O-CB 3.37Å; D60-K83 PolarHBondContact O-N 2.83Å; K83-V85 PolarHBondContact O-N 3.01Å
84Q73.4Confident85.2Confident153 Ų15388.4 Ų88.472%0.71548%0.484SS*.  trans-60.5115.4172.1-88-172.8-20.100108.9D6 R82 S86D6-Q84 PolarHBondContact OD1-NE2 2.94Å; R82-Q84 PolarHBondContact O-N 2.97Å; Q84-S86 VanDerWaalsContact C-N 3.26Å; Q84-S86 PolarHBondContact O-N 2.64Å
85V64.5Low84.7Confident116 Ų11694 Ų9470%0.70352%0.517SS*.  trans-80.781.5172.7-165.40000107.3D60 K83 G87D60-V85 HydrophobicContact CB-CG2 4.35Å; K83-V85 PolarHBondContact O-N 3.01Å; V85-G87 PolarHBondContact O-N 3.05Å
86S63.9Low84Confident116 Ų116103 Ų10381%0.81155%0.546SS*.  trans-75.671.9164.763.90000108.5Q84Q84-S86 VanDerWaalsContact C-N 3.26Å; Q84-S86 PolarHBondContact O-N 2.64Å
87G65.6Low83.1Confident48 Ų48111.7 Ų111.750%0.49559%0.587SS.*PPolyproline II helixtrans-74.3151.2169.500000110.2V85 E89V85-G87 PolarHBondContact O-N 3.05Å; G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.17Å
88P69.9Low82.1Confident131 Ų131118.4 Ų118.485%0.85162%0.616SS**PPolyproline II helixtrans-60.2121.6172.324.4-31.3000109.5R90P88-R90 PolarHBondContact O-N 3.3Å
89E74.9Confident80.5Confident189 Ų189127.7 Ų127.788%0.88366%0.656SS**PPolyproline II helixtrans-66.5124.6169.6-176.1174.1-172.100108.4G87G87-E89 PolarHBondContact O-N 3.16Å; G87-E89 VanDerWaalsContact O-N 3.17Å
90R81.4Confident78.9Confident201 Ų201132 Ų13276%0.75869%0.686SS**  trans-123.4130.6173.886.4-179.8-168.6-173.82.2110.2P88 I92P88-R90 PolarHBondContact O-N 3.3Å; R90-I92 HydrophobicContact CG-CG1 4.24Å
91T84.5Confident77.2Confident130 Ų130136.5 Ų136.580%0.79872%0.723SS**PPolyproline II helixtrans-84.1125.5168.9-61.70000108.6
92I88.2Confident75.7Confident112 Ų112140.1 Ų140.157%0.57474%0.743SS**PPolyproline II helixtrans-97.6117.2174.5-55.7179.6000107.6R90R90-I92 HydrophobicContact CG-CG1 4.24Å
93P86.8Confident73.9Confident106 Ų106144 Ų14469%0.68877%0.773SS**PPolyproline II helixtrans-69.4139.6177.328.1-32.9000110.7
94I88.9Confident72.7Confident172 Ų172142.3 Ų142.388%0.88279%0.785SS**  trans-89113.5173.9-62.3167.1000108.1
95T87.5Confident72Confident129 Ų129139.4 Ų139.479%0.79179%0.787SS**  trans-100.1132.5170.524.30000110.5
96R83.3Confident71.6Confident227 Ų227140.1 Ų140.186%0.85779%0.794SS**  trans-89.4119.1174.6-169.3178.2-173.9-175.50.8108.6E98R96-E98 PolarHBondContact O-N 3.44Å
97E78Confident71Confident189 Ų189144.5 Ų144.588%0.88380%0.798SS**  trans-77113.6170.6-72.8-175.2170.600109.5K99E97-K99 PolarHBondContact O-N 2.98Å
98E78.5Confident70.4Confident171 Ų171155.8 Ų155.880%0.79983%0.834SS**  trans-82.2107.4167.5-68.6-169.1171.200109.1R96R96-E98 PolarHBondContact O-N 3.44Å
99K64.7Low70.5Confident198 Ų198157.1 Ų157.186%0.86183%0.833SS**PPolyproline II helixtrans-76.2123.6166-162.9171.9-173.3174.70107.7E97 A101E97-K99 PolarHBondContact O-N 2.98Å; K99-A101 PolarHBondContact O-N 3.07Å
100P62.2Low70.2Confident120 Ų120155.4 Ų155.478%0.77983%0.83SS**PPolyproline II helixtrans-62.3124-178.1-1019.3000109.9
101A58.9Low69.6Low95 Ų95152.8 Ų152.879%0.78583%0.834SS**PPolyproline II helixtrans-71.7126.5171.100000109.1K99 T103K99-A101 PolarHBondContact O-N 3.07Å; A101-T103 PolarHBondContact O-N 3.28Å
102V60.3Low68.7Low147 Ų147154.2 Ų154.289%0.89184%0.837SS**PPolyproline II helixtrans-55.2117.3-179.7-166.40000109.6A104V102-A104 PolarHBondContact O-N 2.66Å
103T52.9Low67.5Low138 Ų138156.8 Ų156.885%0.84785%0.853SS**PPolyproline II helixtrans-65.9120.9177.38.70000110.3A101A101-T103 PolarHBondContact O-N 3.28Å
104A58.9Low66.2Low101 Ų101160.2 Ų160.284%0.83586%0.864SS**PPolyproline II helixtrans-68.1127.7172.800000110.7V102V102-A104 PolarHBondContact O-N 2.66Å
105A57.5Low64.6Low91 Ų91159.4 Ų159.475%0.75286%0.863SS**PPolyproline II helixtrans-79.6141.2173.500000111.1
106P56.4Low62.8Low131 Ų131161.7 Ų161.785%0.85187%0.868SS**PPolyproline II helixtrans-78.6135.4177.231.8-30.8000110.4
107K50.7Low61.1Low208 Ų208156.3 Ų156.390%0.90487%0.869SS**PPolyproline II helixtrans-84.6136.9167.8-75.3-173.6176.1-179.10109.6
108K54.8Low59.6Low286 Ų286153.3 Ų153.3100%1.24387%0.868SS**  trans-57.10172.8-79.1-179.4172.6-177.90112.7

Retrieved 108 of 108 residues in 263.6 ms (Link to these results)