X6R6T9_HUMAN Loading...

L-fucose mutarotase

AlphaFold DB , UniProt , Accession X6R6T9, Species HUMAN (Homo sapiens, Human), Gene FUOM, Length 109 aa.

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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
1M92.9Very high97.8Very high135 Ų13573.4 Ų73.467%0.66540%0.403SS*.  0137.80174.4174.862.200108.8I3 F82 A83 V84M1-I3 HydrophobicContact CE-CD1 4.04Å; M1-I3 HydrophobicContact CE-CG1 4.46Å; M1-I3 HydrophobicContact CG-CG1 4.45Å; M1-F82 HydrophobicContact CE-CD1 4.32Å; M1-F82 HydrophobicContact CE-CE1 3.71Å; M1-F82 HydrophobicContact CE-CZ 4.3Å; M1-F82 PolarHBondContact N-O 2.89Å; M1-A83 HydrophobicContact CB-CB 4.46Å; M1-A83 HydrophobicContact CE-CB 3.74Å; M1-A83 CarbonylContact O-C 3.54Å; M1-A83 VanDerWaalsContact O-CA 3.3Å; M1-A83 WeakPolarHBondContact O-CA 3.44Å; M1-V84 PolarHBondContact O-N 3.42Å
2E96.7Very high97.8Very high128 Ų12877.7 Ų77.760%0.59842%0.418SS*.EExtended strand (participates in β ladder)trans-104.2137.1174.3-176.2-178.3159.700109.7R4 V84E2-R4 VanDerWaalsContact OE1-CD 3.29Å; E2-R4 WeakPolarHBondContact OE1-CD 3.31Å; E2-R4 IonicContact OE1-NH1 3.86Å; E2-V84 WeakPolarHBondContact CA-O 3.3Å
3I98.5Very high97.9Very high77 Ų7774.7 Ų74.740%0.39540%0.402SS..EExtended strand (participates in β ladder)trans-126.2136.1173.8-58.2173.7000107.6M1 A83 V84 V85 A86M1-I3 HydrophobicContact CE-CD1 4.04Å; M1-I3 HydrophobicContact CE-CG1 4.46Å; M1-I3 HydrophobicContact CG-CG1 4.45Å; I3-A83 HydrophobicContact CD1-CB 4.37Å; I3-V84 PolarHBondContact N-O 2.82Å; I3-V85 HydrophobicContact CB-CG2 4.34Å; I3-V85 CarbonylContact O-C 3.52Å; I3-V85 VanDerWaalsContact O-CA 3.3Å; I3-V85 WeakPolarHBondContact O-CA 3.45Å; I3-A86 PolarHBondContact O-N 2.62Å
4R98.5Very high97.9Very high156 Ų15669.8 Ų69.859%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-99.1131-179.2-62.4-64.2-69.6-102.4-5111.4E2 D6E2-R4 VanDerWaalsContact OE1-CD 3.29Å; E2-R4 WeakPolarHBondContact OE1-CD 3.31Å; E2-R4 IonicContact OE1-NH1 3.86Å; R4-D6 WeakPolarHBondContact CB-OD2 3.29Å; R4-D6 IonicContact CZ-OD1 3.15Å; R4-D6 IonicContact CZ-OD2 3.76Å; R4-D6 IonicContact NE-OD1 2.83Å; R4-D6 PolarHBondContact NE-OD1 2.99Å; R4-D6 IonicContact NE-OD2 3.22Å; R4-D6 PolarHBondContact NE-OD2 3.06Å; R4-D6 IonicContact NH2-OD1 2.67Å; R4-D6 PolarHBondContact NH2-OD1 3.27Å; R4-D6 IonicContact NH2-OD2 3.54Å
5A98.4Very high98Very high17 Ų1770.5 Ų70.514%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-139.247.2175.200000109.3G7 L8 L13 V85 A86 T87A5-G7 PolarHBondContact O-N 3.37Å; A5-L8 HydrophobicContact CB-CB 4.45Å; A5-L8 HydrophobicContact CB-CD1 4.26Å; A5-L8 PolarHBondContact O-N 3.22Å; A5-L13 HydrophobicContact CB-CD2 4.43Å; A5-V85 HydrophobicContact CB-CG1 3.73Å; A5-A86 CarbonylContact C-O 3.51Å; A5-A86 PolarHBondContact N-O 3.29Å; A5-T87 HydrophobicContact CB-CG2 4.46Å; A5-T87 WeakPolarHBondContact O-CA 3.32Å
6D98.2Very high98Very high83 Ų8369.4 Ų69.444%0.44438%0.379SS..THydrogen-bonded Turntrans-59.1-25.6-165.1-58-74.9000114.9R4 G88R4-D6 WeakPolarHBondContact CB-OD2 3.29Å; R4-D6 IonicContact CZ-OD1 3.15Å; R4-D6 IonicContact CZ-OD2 3.76Å; R4-D6 IonicContact NE-OD1 2.83Å; R4-D6 PolarHBondContact NE-OD1 2.99Å; R4-D6 IonicContact NE-OD2 3.22Å; R4-D6 PolarHBondContact NE-OD2 3.06Å; R4-D6 IonicContact NH2-OD1 2.67Å; R4-D6 PolarHBondContact NH2-OD1 3.27Å; R4-D6 IonicContact NH2-OD2 3.54Å; D6-G88 WeakPolarHBondContact O-CA 3.44Å; D6-G88 PolarHBondContact O-N 2.87Å
7G97.9Very high98Very high77 Ų7768.4 Ų68.479%0.79438%0.375SS*.THydrogen-bonded Turntrans-92.61.3179.400000114.8A5A5-G7 PolarHBondContact O-N 3.37Å
8L98.4Very high98Very high79 Ų7965.8 Ų65.841%0.41436%0.361SS..  trans-110.6140.4-174-59.4-178.5000111.6A5 L13 T87 G88A5-L8 HydrophobicContact CB-CB 4.45Å; A5-L8 HydrophobicContact CB-CD1 4.26Å; A5-L8 PolarHBondContact O-N 3.22Å; L8-L13 HydrophobicContact CD1-CD1 4.32Å; L8-T87 WeakPolarHBondContact O-CB 3.45Å; L8-G88 PolarHBondContact O-N 2.78Å
9G98.4Very high97.9Very high18 Ų1871.4 Ų71.419%0.18638%0.381CS..  trans-78.8157.6165.300000111.5L13G9-L13 PolarHBondContact O-N 3.09Å
10I98.8Very high97.9Very high24 Ų2475.5 Ų75.512%0.12340%0.402CS..Hα-helixtrans-67.5-39.4-179.9-68.8171.6000112.3Q12 L13 L14 Y53 T87 E89 G94 L96I10-Q12 PolarHBondContact O-N 3.42Å; I10-L13 PolarHBondContact O-N 2.67Å; I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.39Å; I10-Y53 HydrophobicContact CB-CE1 4.09Å; I10-Y53 WeakPolarHBondContact CB-OH 3.31Å; I10-Y53 HydrophobicContact CG2-CE1 3.56Å; I10-Y53 HydrophobicContact CG2-CE2 4.39Å; I10-Y53 VanDerWaalsContact CG2-CZ 3.47Å; I10-Y53 WeakPolarHBondContact CG2-OH 3.3Å; I10-T87 HydrophobicContact CG1-CG2 3.97Å; I10-E89 HydrophobicContact CB-CB 4.45Å; I10-E89 HydrophobicContact CB-CG 4.3Å; I10-E89 HydrophobicContact CD1-CB 3.85Å; I10-E89 HydrophobicContact CD1-CG 3.88Å; I10-E89 HydrophobicContact CG1-CB 3.76Å; I10-E89 HydrophobicContact CG1-CG 4.01Å; I10-E89 PolarHBondContact N-OE2 3.02Å; I10-G94 WeakPolarHBondContact CD1-O 3.34Å; I10-L96 HydrophobicContact CG2-CD2 4.44Å
11P98.7Very high97.8Very high13 Ų1374.2 Ų74.28%0.08440%0.395CS..Hα-helixtrans-55.4-47.4178.6-27.634.2000113.7L13 L14 E15 V49 E52 Y53 I56 E89P11-L13 PolarHBondContact O-N 2.83Å; P11-L14 PolarHBondContact O-N 3.21Å; P11-E15 WeakPolarHBondContact O-CG 3.48Å; P11-E15 PolarHBondContact O-N 2.85Å; P11-V49 HydrophobicContact CG-CG2 4.41Å; P11-E52 HydrophobicContact CB-CG 4.11Å; P11-E52 VanDerWaalsContact CB-OE1 3.27Å; P11-E52 WeakPolarHBondContact CB-OE1 3.1Å; P11-E52 VanDerWaalsContact CG-CD 3.48Å; P11-E52 HydrophobicContact CG-CG 4.23Å; P11-E52 WeakPolarHBondContact CG-OE2 3.3Å; P11-Y53 HydrophobicContact CG-CE1 3.92Å; P11-I56 HydrophobicContact CB-CD1 3.81Å; P11-E89 VanDerWaalsContact CD-OE2 3.26Å; P11-E89 WeakPolarHBondContact CD-OE2 3.27Å
12Q98.4Very high97.9Very high125 Ų12569.4 Ų69.458%0.58437%0.374SS*.Hα-helixtrans-62.9-43.7178.8-65.1162.3-300111.5I10 A16I10-Q12 PolarHBondContact O-N 3.42Å; Q12-A16 PolarHBondContact O-N 3.18Å
13L98.6Very high98Very high39 Ų3964.6 Ų64.620%0.20435%0.352CS..Hα-helixtrans-68.7-39.5178.9-173.662.9000111.7A5 L8 G9 I10 P11 A16 V17 V85 T87A5-L13 HydrophobicContact CB-CD2 4.43Å; L8-L13 HydrophobicContact CD1-CD1 4.32Å; G9-L13 PolarHBondContact O-N 3.09Å; I10-L13 PolarHBondContact O-N 2.67Å; P11-L13 PolarHBondContact O-N 2.83Å; L13-A16 PolarHBondContact O-N 3.42Å; L13-V17 HydrophobicContact CD1-CG2 4.39Å; L13-V17 HydrophobicContact CG-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.2Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-V85 HydrophobicContact CD2-CB 4.42Å; L13-V85 HydrophobicContact CD2-CG1 3.81Å; L13-T87 HydrophobicContact CD2-CG2 3.86Å
14L98.8Very high97.9Very high6 Ų661.6 Ų61.63%0.03134%0.337CS..Hα-helixtrans-60.3-46.8177.317962.1000110.8I10 P11 A16 V17 L18 Y53 I56 L96 L98I10-L14 WeakPolarHBondContact O-CB 3.3Å; I10-L14 PolarHBondContact O-N 3.39Å; P11-L14 PolarHBondContact O-N 3.21Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.93Å; L14-V17 PolarHBondContact O-N 2.87Å; L14-L18 HydrophobicContact CD1-CD1 3.76Å; L14-L18 HydrophobicContact CD1-CD2 4.29Å; L14-L18 HydrophobicContact CD1-CG 3.84Å; L14-L18 HydrophobicContact CG-CD1 3.91Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.22Å; L14-Y53 HydrophobicContact CD2-CD1 3.86Å; L14-Y53 HydrophobicContact CD2-CG 4.2Å; L14-I56 HydrophobicContact CB-CG2 4.42Å; L14-I56 HydrophobicContact CD2-CB 4.04Å; L14-I56 HydrophobicContact CD2-CD1 4.21Å; L14-I56 HydrophobicContact CD2-CG2 3.75Å; L14-I56 HydrophobicContact CG-CG2 3.71Å; L14-L96 HydrophobicContact CD1-CD2 3.65Å; L14-L96 HydrophobicContact CD2-CD2 3.71Å; L14-L96 HydrophobicContact CG-CD2 4.22Å; L14-L98 HydrophobicContact CD1-CD1 3.68Å; L14-L98 HydrophobicContact CD1-CD2 4.06Å; L14-L98 HydrophobicContact CD1-CG 4.37Å
15E98.4Very high97.7Very high81 Ų8158.7 Ų58.738%0.37934%0.337SS..Hα-helixtrans-57.6-42.2175.2-73.3-169.6167.300112.4P11 K19 I56 R59P11-E15 WeakPolarHBondContact O-CG 3.48Å; P11-E15 PolarHBondContact O-N 2.85Å; E15-K19 WeakPolarHBondContact O-CG 3.5Å; E15-I56 HydrophobicContact CG-CB 4.45Å; E15-I56 HydrophobicContact CG-CD1 4.01Å; E15-I56 HydrophobicContact CG-CG1 3.86Å; E15-I56 HydrophobicContact CG-CG2 3.72Å; E15-R59 IonicContact OE1-CZ 3.62Å; E15-R59 IonicContact OE1-NH2 3.42Å; E15-R59 PolarHBondContact OE1-NH2 2.94Å
16A98.5Very high97.5Very high53 Ų5367 Ų6744%0.43837%0.366SS..Hα-helixtrans-67.9-43.9178.200000112.1Q12 L13 L14 K19Q12-A16 PolarHBondContact O-N 3.18Å; L13-A16 PolarHBondContact O-N 3.42Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.93Å; A16-K19 PolarHBondContact O-N 3.48Å
17V98.4Very high97.4Very high52 Ų5264.3 Ų64.332%0.31535%0.353SS..Hα-helixtrans-63.4-45.4179.81680000111.2L13 L14 K19 L20 L21 L98L13-V17 HydrophobicContact CD1-CG2 4.39Å; L13-V17 HydrophobicContact CG-CG2 4.31Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.2Å; L13-V17 PolarHBondContact O-N 3.32Å; L14-V17 PolarHBondContact O-N 2.87Å; V17-K19 PolarHBondContact O-N 3.37Å; V17-L20 PolarHBondContact O-N 3.01Å; V17-L21 HydrophobicContact CG1-CB 3.83Å; V17-L21 HydrophobicContact CG1-CD2 3.76Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.27Å; V17-L21 PolarHBondContact O-N 3.38Å; V17-L98 HydrophobicContact CG1-CD1 4.01Å
18L97.8Very high97.3Very high22 Ų2269.2 Ų69.212%0.11536%0.355CS..Hα-helixtrans-68.9-15.3-176.4-66.9179.8000114.1L14 L20 L23 I56 L57 A60 L98L14-L18 HydrophobicContact CD1-CD1 3.76Å; L14-L18 HydrophobicContact CD1-CD2 4.29Å; L14-L18 HydrophobicContact CD1-CG 3.84Å; L14-L18 HydrophobicContact CG-CD1 3.91Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.22Å; L18-L20 PolarHBondContact O-N 3.48Å; L18-L23 HydrophobicContact CD2-CD1 3.76Å; L18-L23 HydrophobicContact CD2-CD2 3.75Å; L18-L23 HydrophobicContact CD2-CG 3.79Å; L18-I56 HydrophobicContact CD1-CG2 3.87Å; L18-L57 HydrophobicContact CD1-CD2 3.93Å; L18-A60 HydrophobicContact CB-CB 3.86Å; L18-A60 HydrophobicContact CD1-CB 3.69Å; L18-A60 HydrophobicContact CG-CB 4.33Å; L18-L98 HydrophobicContact CD2-CD1 4.24Å
19K96.5Very high97.3Very high172 Ų17266.2 Ų66.275%0.74834%0.341SS*.THydrogen-bonded Turntrans-67-23169.8-71172.8-174.4178.20112.9E15 A16 V17E15-K19 WeakPolarHBondContact O-CG 3.5Å; A16-K19 PolarHBondContact O-N 3.48Å; V17-K19 PolarHBondContact O-N 3.37Å
20L96.4Very high97.3Very high153 Ų15365.5 Ų65.580%0.80133%0.332SS*.THydrogen-bonded Turntrans-121.1-25.8-173.3-59.2176.5000112.9V17 L18 P22V17-L20 PolarHBondContact O-N 3.01Å; L18-L20 PolarHBondContact O-N 3.48Å; L20-P22 VanDerWaalsContact O-CD 3.31Å; L20-P22 WeakPolarHBondContact O-CD 3.47Å
21L96.7Very high97.3Very high48 Ų4864.4 Ų64.425%0.25133%0.327SS..  trans-101102.5-175.2-168.379.1000110.5V17 L23 L98 K100V17-L21 HydrophobicContact CG1-CB 3.83Å; V17-L21 HydrophobicContact CG1-CD2 3.76Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.27Å; V17-L21 PolarHBondContact O-N 3.38Å; L21-L23 PolarHBondContact O-N 3.29Å; L21-L98 HydrophobicContact CD2-CB 4.32Å; L21-L98 HydrophobicContact CD2-CD1 4.25Å; L21-K100 HydrophobicContact CD1-CB 3.93Å; L21-K100 HydrophobicContact CD1-CD 3.79Å; L21-K100 HydrophobicContact CD1-CG 3.65Å; L21-K100 HydrophobicContact CG-CB 4.41Å; L21-K100 HydrophobicContact CG-CG 4.32Å
22P95.6Very high97.3Very high35 Ų3563.8 Ų63.823%0.22732%0.323CS..PPolyproline II helixtrans-64.5139.1170.630.8-37.7000109.5L20 K100 G101 L103L20-P22 VanDerWaalsContact O-CD 3.31Å; L20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-K100 WeakPolarHBondContact O-CA 3.45Å; P22-G101 PolarHBondContact O-N 3.23Å; P22-L103 HydrophobicContact CB-CD2 4.32Å; P22-L103 HydrophobicContact CG-CD2 3.62Å; P22-L103 HydrophobicContact CG-CG 3.93Å
23L97.7Very high97.3Very high26 Ų2657.8 Ų57.814%0.13630%0.295CS..BIsolated β-bridgetrans-88149177-65.3-178.2000111.4L18 L21 T25 P30 L57 C62 L98L18-L23 HydrophobicContact CD2-CD1 3.76Å; L18-L23 HydrophobicContact CD2-CD2 3.75Å; L18-L23 HydrophobicContact CD2-CG 3.79Å; L21-L23 PolarHBondContact O-N 3.29Å; L23-T25 PolarHBondContact O-N 3.36Å; L23-P30 HydrophobicContact CB-CB 3.9Å; L23-P30 HydrophobicContact CB-CG 3.88Å; L23-P30 HydrophobicContact CD1-CG 4.16Å; L23-L57 HydrophobicContact CD1-CD2 3.58Å; L23-C62 HydrophobicContact CD1-CB 3.9Å; L23-L98 HydrophobicContact CD2-CB 4.22Å; L23-L98 HydrophobicContact CD2-CD2 4.21Å
24D97Very high97.3Very high15 Ų1556.5 Ų56.58%0.0829%0.288CS..PPolyproline II helixtrans-68.8116.8-178.3-168.1-14.1000111.8Y26 V27 P30 R99 G101D24-Y26 WeakPolarHBondContact OD1-CB 3.29Å; D24-Y26 PolarHBondContact OD1-N 3.05Å; D24-V27 HydrophobicContact CB-CG2 4.03Å; D24-V27 WeakPolarHBondContact O-CG2 3.34Å; D24-P30 HydrophobicContact CB-CB 4.38Å; D24-P30 WeakPolarHBondContact O-CB 3.15Å; D24-R99 HydrophobicContact CB-CB 4.22Å; D24-R99 HydrophobicContact CB-CG 3.83Å; D24-R99 PolarHBondContact N-O 3.34Å; D24-R99 WeakPolarHBondContact OD2-CD 3.4Å; D24-R99 IonicContact OD2-CZ 2.7Å; D24-R99 IonicContact OD2-NE 3.52Å; D24-R99 PolarHBondContact OD2-NE 2.97Å; D24-R99 IonicContact OD2-NH2 3.81Å; D24-G101 VanDerWaalsContact CA-CA 3.42Å
25T95.1Very high97.3Very high94 Ų9458.3 Ų58.358%0.57730%0.296SS*.SBendtrans-88.2-9.3-179.755.60000113.3L23 R64L23-T25 PolarHBondContact O-N 3.36Å; T25-R64 PolarHBondContact O-NH2 2.99Å
26Y94.1Very high97.3Very high192 Ų19255.4 Ų55.475%0.75328%0.283SS*.SBendtrans-91.10.5-177.7-62.9-81.8000113.9D24D24-Y26 WeakPolarHBondContact OD1-CB 3.29Å; D24-Y26 PolarHBondContact OD1-N 3.05Å
27V95.9Very high97.3Very high27 Ų2754.2 Ų54.216%0.16427%0.271CS..SBendtrans-111.8157.4177-64.10000111.4D24 S29 P30 R64 R99D24-V27 HydrophobicContact CB-CG2 4.03Å; D24-V27 WeakPolarHBondContact O-CG2 3.34Å; V27-S29 VanDerWaalsContact C-N 3.32Å; V27-S29 PolarHBondContact O-N 3.34Å; V27-P30 HydrophobicContact CG2-CB 4.15Å; V27-R64 WeakPolarHBondContact O-CD 3.46Å; V27-R64 PolarHBondContact O-NE 2.76Å; V27-R64 PolarHBondContact O-NH1 2.91Å; V27-R64 PolarHBondContact O-NH2 2.94Å; V27-R99 VanDerWaalsContact CG1-CZ 3.48Å
28E95.9Very high97.3Very high179 Ų17956.3 Ų56.384%0.83629%0.285SS*.SBendtrans-55.7-46.6177.5-173.7-180175.700112.3R64E28-R64 WeakPolarHBondContact O-CD 3.47Å; E28-R64 WeakPolarHBondContact O-CG 3.3Å; E28-R64 PolarHBondContact O-NH1 2.92Å
29S97.7Very high97.3Very high17 Ų1758.3 Ų58.312%0.11930%0.301CS..  trans-142.6125172.3-174.30000112.1V27 A31 A65V27-S29 VanDerWaalsContact C-N 3.32Å; V27-S29 PolarHBondContact O-N 3.34Å; S29-A31 VanDerWaalsContact C-N 3.28Å; S29-A31 PolarHBondContact OG-N 2.81Å; S29-A31 PolarHBondContact OG-O 3.4Å; S29-A65 VanDerWaalsContact CB-O 3.32Å; S29-A65 WeakPolarHBondContact CB-O 3.45Å; S29-A65 PolarHBondContact OG-O 3.5Å
30P98.3Very high97.4Very high2 Ų251.2 Ų51.21%0.01327%0.271CS..SBendtrans-82.3-5.8177.233.1-35.1000113.2L23 D24 V27 L98 R99L23-P30 HydrophobicContact CB-CB 3.9Å; L23-P30 HydrophobicContact CB-CG 3.88Å; L23-P30 HydrophobicContact CD1-CG 4.16Å; D24-P30 HydrophobicContact CB-CB 4.38Å; D24-P30 WeakPolarHBondContact O-CB 3.15Å; V27-P30 HydrophobicContact CG2-CB 4.15Å; P30-L98 CarbonylContact O-C 3.58Å; P30-L98 WeakPolarHBondContact O-CA 3.44Å; P30-R99 HydrophobicContact CB-CB 4.41Å; P30-R99 PolarHBondContact O-N 2.87Å
31A98.7Very high97.5Very high1 Ų148.9 Ų48.91%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-126.6130.8-178.100000110.2S29 L57 L66 A67 L96 I97 L98S29-A31 VanDerWaalsContact C-N 3.28Å; S29-A31 PolarHBondContact OG-N 2.81Å; S29-A31 PolarHBondContact OG-O 3.4Å; A31-L57 HydrophobicContact CB-CD1 3.65Å; A31-L57 HydrophobicContact CB-CD2 3.98Å; A31-L66 HydrophobicContact CB-CD1 3.72Å; A31-A67 PolarHBondContact O-N 3.42Å; A31-L96 HydrophobicContact CB-CD1 4.28Å; A31-I97 CarbonylContact C-O 3.54Å; A31-I97 VanDerWaalsContact CA-O 3.3Å; A31-I97 WeakPolarHBondContact CA-O 3.12Å; A31-L98 HydrophobicContact CB-CD2 3.96Å
32A98.8Very high97.6Very high0 Ų054.6 Ų54.60%028%0.28CS..EExtended strand (participates in β ladder)trans-137.2136.2-178.700000112.1A67 I69 L96 I97A32-A67 CarbonylContact C-O 3.59Å; A32-A67 VanDerWaalsContact CA-O 3.31Å; A32-A67 WeakPolarHBondContact CA-O 3.23Å; A32-A67 HydrophobicContact CB-CB 4.04Å; A32-I69 HydrophobicContact CB-CD1 4.22Å; A32-I69 HydrophobicContact CB-CG1 4.46Å; A32-I69 HydrophobicContact CB-CG2 4.48Å; A32-L96 CarbonylContact O-C 3.56Å; A32-L96 WeakPolarHBondContact O-CA 3.1Å; A32-I97 PolarHBondContact N-O 2.96Å; A32-I97 PolarHBondContact O-N 3.46Å
33V98.9Very high97.7Very high0 Ų061.8 Ų61.80%030%0.303CS..EExtended strand (participates in β ladder)trans-108.7163.7168.5-66.10000110.2W50 Y53 L66 A67 K68 I69 N95 L96V33-W50 HydrophobicContact CG2-CD2 4.01Å; V33-W50 HydrophobicContact CG2-CG 4.33Å; V33-W50 HydrophobicContact CG2-CZ2 4.03Å; V33-Y53 HydrophobicContact CG1-CD2 4.03Å; V33-Y53 HydrophobicContact CG1-CE2 4.27Å; V33-L66 HydrophobicContact CB-CD2 4.49Å; V33-L66 HydrophobicContact CG1-CD1 4.13Å; V33-L66 HydrophobicContact CG1-CD2 3.71Å; V33-L66 HydrophobicContact CG1-CG 4.12Å; V33-L66 HydrophobicContact CG2-CD2 3.96Å; V33-L66 HydrophobicContact CG2-CG 4.09Å; V33-A67 WeakPolarHBondContact CG2-O 3.31Å; V33-A67 PolarHBondContact N-O 2.7Å; V33-K68 HydrophobicContact CG2-CG 4.12Å; V33-I69 WeakPolarHBondContact O-CG1 3.49Å; V33-I69 PolarHBondContact O-N 2.62Å; V33-N95 WeakPolarHBondContact CA-O 3.44Å; V33-N95 WeakPolarHBondContact CG1-O 3.34Å; V33-L96 HydrophobicContact CG1-CD1 3.97Å
34M98.8Very high97.7Very high11 Ų1162.6 Ų62.65%0.05432%0.317CS..EExtended strand (participates in β ladder)trans-75.7130.8171.1179.3-179.2-57.800110W50 R71 F74 Y75 Y93 N95M34-W50 WeakPolarHBondContact O-CZ2 3.43Å; M34-R71 HydrophobicContact CE-CG 4.13Å; M34-R71 HydrophobicContact CG-CB 4.13Å; M34-R71 HydrophobicContact SD-CB 3.91Å; M34-R71 HydrophobicContact SD-CG 3.67Å; M34-F74 HydrophobicContact CB-CB 4.27Å; M34-F74 HydrophobicContact CB-CD2 3.86Å; M34-F74 HydrophobicContact CB-CE2 4.44Å; M34-F74 HydrophobicContact CB-CG 3.99Å; M34-F74 HydrophobicContact CE-CB 3.92Å; M34-F74 HydrophobicContact CE-CD1 3.68Å; M34-F74 HydrophobicContact CE-CE1 4.46Å; M34-F74 HydrophobicContact CE-CG 3.87Å; M34-F74 HydrophobicContact CG-CB 4.4Å; M34-Y75 HydrophobicContact CE-CD1 4.09Å; M34-Y75 HydrophobicContact CE-CE1 3.49Å; M34-Y75 VanDerWaalsContact CE-CE1 3.49Å; M34-Y93 HydrophobicContact CB-CD1 4.33Å; M34-Y93 HydrophobicContact CG-CD1 4.16Å; M34-Y93 HydrophobicContact CG-CE1 4.34Å; M34-Y93 HydrophobicContact SD-CD1 4.37Å; M34-Y93 HydrophobicContact SD-CE1 4.33Å; M34-N95 WeakPolarHBondContact CB-ND2 3.26Å; M34-N95 PolarHBondContact N-ND2 3.5Å
35E98.6Very high97.7Very high45 Ų4564 Ų6421%0.2132%0.324CS..PPolyproline II helixtrans-67.7149.8173.7-177.358.4-93.100111.2V37 K41 K68 I69 Y93E35-V37 PolarHBondContact O-N 2.85Å; E35-K41 VanDerWaalsContact CD-CE 3.46Å; E35-K41 WeakPolarHBondContact OE1-CE 3.17Å; E35-K41 IonicContact OE1-NZ 4Å; E35-K41 PolarHBondContact OE1-NZ 3.46Å; E35-K41 IonicContact OE2-NZ 2.91Å; E35-K68 HydrophobicContact CB-CB 4.06Å; E35-K68 HydrophobicContact CG-CB 4.42Å; E35-K68 VanDerWaalsContact OE2-CB 3.27Å; E35-K68 WeakPolarHBondContact OE2-CB 3.44Å; E35-K68 WeakPolarHBondContact OE2-CD 3.49Å; E35-I69 VanDerWaalsContact CB-O 3.32Å; E35-I69 WeakPolarHBondContact CB-O 3.41Å; E35-I69 PolarHBondContact N-O 3.37Å; E35-Y93 WeakPolarHBondContact O-CE1 3.32Å
36L98.5Very high97.9Very high19 Ų1966.7 Ų66.710%0.09933%0.33CS..PPolyproline II helixtrans-60.8137.4173.8-67.5179.7000110.6D40 K41 L45 T47 W50 Y93L36-D40 HydrophobicContact CD2-CB 4.31Å; L36-K41 HydrophobicContact CB-CD 4.26Å; L36-K41 HydrophobicContact CB-CG 3.47Å; L36-K41 VanDerWaalsContact CB-CG 3.47Å; L36-K41 HydrophobicContact CD1-CG 4.13Å; L36-K41 HydrophobicContact CG-CG 4.45Å; L36-K41 WeakPolarHBondContact O-CE 3.46Å; L36-L45 HydrophobicContact CD2-CD2 4.08Å; L36-T47 HydrophobicContact CD2-CG2 3.81Å; L36-T47 HydrophobicContact CG-CG2 4.44Å; L36-W50 HydrophobicContact CG-CH2 4.03Å; L36-Y93 HydrophobicContact CD2-CD1 4.05Å; L36-Y93 HydrophobicContact CD2-CD2 3.44Å; L36-Y93 VanDerWaalsContact CD2-CD2 3.44Å; L36-Y93 HydrophobicContact CD2-CE1 3.95Å; L36-Y93 HydrophobicContact CD2-CE2 3.34Å; L36-Y93 HydrophobicContact CD2-CG 3.81Å
37V98.3Very high98.1Very high29 Ų2958.6 Ų58.618%0.17630%0.301CS..PPolyproline II helixtrans-67.4156.6169.1-57.40000110.3E35 S39 D40 K41 Y93E35-V37 PolarHBondContact O-N 2.85Å; V37-S39 VanDerWaalsContact C-N 3.29Å; V37-S39 WeakPolarHBondContact CG2-OG 3.39Å; V37-S39 PolarHBondContact O-N 3.45Å; V37-D40 HydrophobicContact CG2-CB 4.09Å; V37-D40 PolarHBondContact O-N 3.45Å; V37-K41 PolarHBondContact O-N 2.9Å; V37-K41 VanDerWaalsContact O-N 3.08Å; V37-Y93 PolarHBondContact N-OH 2.91Å
38P98.2Very high98.2Very high95 Ų9562 Ų6262%0.61732%0.324SS*.Hα-helixtrans-51.7-44.1-175.6-29.836.3000114.2D40 K41 E42P38-D40 VanDerWaalsContact C-N 3.31Å; P38-D40 PolarHBondContact O-N 3.41Å; P38-K41 WeakPolarHBondContact O-CB 3.23Å; P38-K41 PolarHBondContact O-N 2.64Å; P38-E42 WeakPolarHBondContact O-CG 3.21Å; P38-E42 PolarHBondContact O-N 3.3Å
39S98.2Very high98.3Very high64 Ų6453.9 Ų53.945%0.44829%0.286SS..Hα-helixtrans-63.5-33.4179.9570000113.5V37 R43V37-S39 VanDerWaalsContact C-N 3.29Å; V37-S39 WeakPolarHBondContact CG2-OG 3.39Å; V37-S39 PolarHBondContact O-N 3.45Å; S39-R43 WeakPolarHBondContact O-CB 3.26Å; S39-R43 VanDerWaalsContact O-CD 3.26Å; S39-R43 WeakPolarHBondContact O-CD 3.42Å; S39-R43 WeakPolarHBondContact O-CG 3.48Å; S39-R43 PolarHBondContact O-N 3.44Å
40D98.4Very high98.3Very high24 Ų2454.1 Ų54.113%0.12828%0.284CS..Hα-helixtrans-79.4-30177.3-74-22.9000112L36 V37 P38 R43 G44 L45 Y93L36-D40 HydrophobicContact CD2-CB 4.31Å; V37-D40 HydrophobicContact CG2-CB 4.09Å; V37-D40 PolarHBondContact O-N 3.45Å; P38-D40 VanDerWaalsContact C-N 3.31Å; P38-D40 PolarHBondContact O-N 3.41Å; D40-R43 IonicContact OD1-CZ 2.75Å; D40-R43 IonicContact OD1-NH1 2.69Å; D40-R43 PolarHBondContact OD1-NH1 2.95Å; D40-G44 PolarHBondContact O-N 3.3Å; D40-L45 HydrophobicContact CB-CB 4.04Å; D40-L45 HydrophobicContact CB-CD2 3.9Å; D40-L45 WeakPolarHBondContact O-CB 3.46Å; D40-L45 PolarHBondContact O-N 3.22Å; D40-Y93 PolarHBondContact OD2-OH 3.08Å
41K97.9Very high98.3Very high103 Ų10358.5 Ų58.545%0.44831%0.312SS..Hα-helixtrans-63.8-48.1169.6-68.5-178.2169.7176.10111.4E35 L36 V37 P38 R43 G44E35-K41 VanDerWaalsContact CD-CE 3.46Å; E35-K41 WeakPolarHBondContact OE1-CE 3.17Å; E35-K41 IonicContact OE1-NZ 4Å; E35-K41 PolarHBondContact OE1-NZ 3.46Å; E35-K41 IonicContact OE2-NZ 2.91Å; L36-K41 HydrophobicContact CB-CD 4.26Å; L36-K41 HydrophobicContact CB-CG 3.47Å; L36-K41 VanDerWaalsContact CB-CG 3.47Å; L36-K41 HydrophobicContact CD1-CG 4.13Å; L36-K41 HydrophobicContact CG-CG 4.45Å; L36-K41 WeakPolarHBondContact O-CE 3.46Å; V37-K41 PolarHBondContact O-N 2.9Å; V37-K41 VanDerWaalsContact O-N 3.08Å; P38-K41 WeakPolarHBondContact O-CB 3.23Å; P38-K41 PolarHBondContact O-N 2.64Å; K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 PolarHBondContact O-N 2.79Å; K41-G44 PolarHBondContact O-N 2.92Å
42E98.3Very high98.3Very high169 Ų16963 Ų6379%0.7933%0.333SS*.Hα-helixtrans-60.2-37.1177.9-74.2170.7-169.500112.2P38 G44P38-E42 WeakPolarHBondContact O-CG 3.21Å; P38-E42 PolarHBondContact O-N 3.3Å; E42-G44 PolarHBondContact O-N 3.27Å
43R97.6Very high98.3Very high186 Ų18663 Ų6370%0.70233%0.333SS*.THydrogen-bonded Turntrans-74.6-6.5175.4-70167.965.9-150.93.8113.8S39 D40 K41 L45S39-R43 WeakPolarHBondContact O-CB 3.26Å; S39-R43 VanDerWaalsContact O-CD 3.26Å; S39-R43 WeakPolarHBondContact O-CD 3.42Å; S39-R43 WeakPolarHBondContact O-CG 3.48Å; S39-R43 PolarHBondContact O-N 3.44Å; D40-R43 IonicContact OD1-CZ 2.75Å; D40-R43 IonicContact OD1-NH1 2.69Å; D40-R43 PolarHBondContact OD1-NH1 2.95Å; K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 PolarHBondContact O-N 2.79Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 2.93Å
44G97.9Very high98.3Very high42 Ų4265.5 Ų65.543%0.43334%0.344SS..THydrogen-bonded Turntrans65.233-176.600000113.3D40 K41 E42 Q46D40-G44 PolarHBondContact O-N 3.3Å; K41-G44 PolarHBondContact O-N 2.92Å; E42-G44 PolarHBondContact O-N 3.27Å; G44-Q46 PolarHBondContact O-N 2.83Å; G44-Q46 PolarHBondContact O-NE2 2.99Å
45L98.2Very high98.3Very high45 Ų4567.6 Ų67.624%0.23636%0.36CS..  trans-58.3131.2178.6-175.168.1000110.3L36 D40 R43 L92 Y93L36-L45 HydrophobicContact CD2-CD2 4.08Å; D40-L45 HydrophobicContact CB-CB 4.04Å; D40-L45 HydrophobicContact CB-CD2 3.9Å; D40-L45 WeakPolarHBondContact O-CB 3.46Å; D40-L45 PolarHBondContact O-N 3.22Å; R43-L45 VanDerWaalsContact C-N 3.31Å; R43-L45 PolarHBondContact O-N 2.93Å; L45-L92 HydrophobicContact CD1-CD1 4.37Å; L45-L92 HydrophobicContact CD2-CD1 4.24Å; L45-Y93 HydrophobicContact CD2-CD2 4.15Å; L45-Y93 HydrophobicContact CD2-CE2 3.72Å
46Q98Very high98.3Very high151 Ų15165.6 Ų65.671%0.70635%0.351SS*.  trans-92.8146.5179.6-58.9-58.6-59.800111.3G44 P48G44-Q46 PolarHBondContact O-N 2.83Å; G44-Q46 PolarHBondContact O-NE2 2.99Å; Q46-P48 VanDerWaalsContact C-CD 3.46Å; Q46-P48 WeakPolarHBondContact O-CD 3.4Å
47T98.2Very high98.3Very high21 Ų2164.9 Ų64.913%0.12935%0.347CS..  trans-126.164.5179.847.20000111.1L36 V49 W50 Y93L36-T47 HydrophobicContact CD2-CG2 3.81Å; L36-T47 HydrophobicContact CG-CG2 4.44Å; T47-V49 PolarHBondContact O-N 3.37Å; T47-V49 VanDerWaalsContact O-N 3.08Å; T47-W50 VanDerWaalsContact CB-CD2 3.48Å; T47-W50 HydrophobicContact CG2-CD2 4.16Å; T47-W50 HydrophobicContact CG2-CE3 4.45Å; T47-W50 HydrophobicContact CG2-CH2 4.07Å; T47-W50 HydrophobicContact CG2-CZ2 3.72Å; T47-W50 HydrophobicContact CG2-CZ3 4.4Å; T47-W50 WeakPolarHBondContact O-CB 3.47Å; T47-W50 PolarHBondContact O-N 3.23Å; T47-W50 WeakPolarHBondContact OG1-CZ3 3.32Å; T47-Y93 HydrophobicContact CG2-CD2 4.35Å; T47-Y93 HydrophobicContact CG2-CG 4.45Å
48P98.1Very high98.3Very high99 Ų9971.7 Ų71.764%0.64337%0.369SS*.Hα-helixtrans-58.3-28.8-174.423.6-34.3000113.4Q46 W50 T51 E52Q46-P48 VanDerWaalsContact C-CD 3.46Å; Q46-P48 WeakPolarHBondContact O-CD 3.4Å; P48-W50 PolarHBondContact O-N 3.42Å; P48-T51 WeakPolarHBondContact O-CB 3.47Å; P48-T51 PolarHBondContact O-N 3.02Å; P48-T51 VanDerWaalsContact O-N 3.14Å; P48-E52 PolarHBondContact O-N 3.24Å
49V98.6Very high98.2Very high9 Ų974.4 Ų74.46%0.05537%0.367CS..Hα-helixtrans-60-27.7176.875.40000112.8P11 T47 E52 Y53 A91P11-V49 HydrophobicContact CG-CG2 4.41Å; T47-V49 PolarHBondContact O-N 3.37Å; T47-V49 VanDerWaalsContact O-N 3.08Å; V49-E52 WeakPolarHBondContact O-CB 3.27Å; V49-E52 PolarHBondContact O-N 3.06Å; V49-Y53 HydrophobicContact CG1-CE2 4.42Å; V49-Y53 HydrophobicContact CG2-CD1 4.34Å; V49-Y53 HydrophobicContact CG2-CE1 3.58Å; V49-Y53 HydrophobicContact CG2-CE2 4.09Å; V49-Y53 VanDerWaalsContact CG2-CZ 3.43Å; V49-Y53 WeakPolarHBondContact CG2-OH 3.4Å; V49-Y53 WeakPolarHBondContact O-CD1 3.46Å; V49-Y53 PolarHBondContact O-N 3.36Å; V49-A91 HydrophobicContact CB-CB 3.84Å; V49-A91 HydrophobicContact CG1-CB 3.95Å; V49-A91 HydrophobicContact CG2-CB 3.97Å
50W98.6Very high98.1Very high21 Ų2173.9 Ų73.98%0.0837%0.367CS..Hα-helixtrans-66.4-39.7176.8-64.3-3.6000111.9V33 M34 L36 T47 P48 E52 Y53 E54 L66 K68 Y93V33-W50 HydrophobicContact CG2-CD2 4.01Å; V33-W50 HydrophobicContact CG2-CG 4.33Å; V33-W50 HydrophobicContact CG2-CZ2 4.03Å; M34-W50 WeakPolarHBondContact O-CZ2 3.43Å; L36-W50 HydrophobicContact CG-CH2 4.03Å; T47-W50 VanDerWaalsContact CB-CD2 3.48Å; T47-W50 HydrophobicContact CG2-CD2 4.16Å; T47-W50 HydrophobicContact CG2-CE3 4.45Å; T47-W50 HydrophobicContact CG2-CH2 4.07Å; T47-W50 HydrophobicContact CG2-CZ2 3.72Å; T47-W50 HydrophobicContact CG2-CZ3 4.4Å; T47-W50 WeakPolarHBondContact O-CB 3.47Å; T47-W50 PolarHBondContact O-N 3.23Å; T47-W50 WeakPolarHBondContact OG1-CZ3 3.32Å; P48-W50 PolarHBondContact O-N 3.42Å; W50-E52 VanDerWaalsContact C-N 3.28Å; W50-E52 PolarHBondContact O-N 3.47Å; W50-Y53 PolarHBondContact O-N 3.2Å; W50-E54 WeakPolarHBondContact O-CG 3.2Å; W50-E54 PolarHBondContact O-N 2.92Å; W50-L66 HydrophobicContact CB-CD2 4.14Å; W50-L66 HydrophobicContact CG-CD2 4.43Å; W50-K68 HydrophobicContact CE3-CD 4.33Å; W50-K68 HydrophobicContact CH2-CD 4.18Å; W50-K68 HydrophobicContact CZ3-CD 3.68Å; W50-K68 HydrophobicContact CZ3-CG 4.3Å; W50-Y93 HydrophobicContact CZ2-CG 4.44Å; W50-Y93 PolarHBondContact NE1-O 3.18Å
51T98.4Very high97.9Very high95 Ų9575.6 Ų75.658%0.58339%0.39SS*.Hα-helixtrans-64.5-36.5176-55.30000111.1P48 E54 S55P48-T51 WeakPolarHBondContact O-CB 3.47Å; P48-T51 PolarHBondContact O-N 3.02Å; P48-T51 VanDerWaalsContact O-N 3.14Å; T51-E54 PolarHBondContact O-N 3.33Å; T51-S55 WeakPolarHBondContact O-CB 3.31Å; T51-S55 PolarHBondContact O-N 3.2Å
52E98.5Very high97.8Very high96 Ų9671.3 Ų71.345%0.44937%0.373SS..Hα-helixtrans-64.9-44.9174.5-169.7171.7-172.100111.4P11 P48 V49 W50 S55 I56P11-E52 HydrophobicContact CB-CG 4.11Å; P11-E52 VanDerWaalsContact CB-OE1 3.27Å; P11-E52 WeakPolarHBondContact CB-OE1 3.1Å; P11-E52 VanDerWaalsContact CG-CD 3.48Å; P11-E52 HydrophobicContact CG-CG 4.23Å; P11-E52 WeakPolarHBondContact CG-OE2 3.3Å; P48-E52 PolarHBondContact O-N 3.24Å; V49-E52 WeakPolarHBondContact O-CB 3.27Å; V49-E52 PolarHBondContact O-N 3.06Å; W50-E52 VanDerWaalsContact C-N 3.28Å; W50-E52 PolarHBondContact O-N 3.47Å; E52-S55 WeakPolarHBondContact O-CB 3.43Å; E52-S55 PolarHBondContact O-N 2.98Å; E52-I56 HydrophobicContact CG-CD1 4.02Å; E52-I56 WeakPolarHBondContact O-CG1 3.16Å; E52-I56 PolarHBondContact O-N 2.95Å
53Y98.8Very high97.5Very high0 Ų069.9 Ų69.90%038%0.375CS..Hα-helixtrans-60.9-45.7174.5-62.5-15.6000112.4I10 P11 L14 V33 V49 W50 S55 I56 L57 L66 G94 L96I10-Y53 HydrophobicContact CB-CE1 4.09Å; I10-Y53 WeakPolarHBondContact CB-OH 3.31Å; I10-Y53 HydrophobicContact CG2-CE1 3.56Å; I10-Y53 HydrophobicContact CG2-CE2 4.39Å; I10-Y53 VanDerWaalsContact CG2-CZ 3.47Å; I10-Y53 WeakPolarHBondContact CG2-OH 3.3Å; P11-Y53 HydrophobicContact CG-CE1 3.92Å; L14-Y53 HydrophobicContact CD2-CD1 3.86Å; L14-Y53 HydrophobicContact CD2-CG 4.2Å; V33-Y53 HydrophobicContact CG1-CD2 4.03Å; V33-Y53 HydrophobicContact CG1-CE2 4.27Å; V49-Y53 HydrophobicContact CG1-CE2 4.42Å; V49-Y53 HydrophobicContact CG2-CD1 4.34Å; V49-Y53 HydrophobicContact CG2-CE1 3.58Å; V49-Y53 HydrophobicContact CG2-CE2 4.09Å; V49-Y53 VanDerWaalsContact CG2-CZ 3.43Å; V49-Y53 WeakPolarHBondContact CG2-OH 3.4Å; V49-Y53 WeakPolarHBondContact O-CD1 3.46Å; V49-Y53 PolarHBondContact O-N 3.36Å; W50-Y53 PolarHBondContact O-N 3.2Å; Y53-S55 VanDerWaalsContact C-N 3.27Å; Y53-S55 PolarHBondContact O-N 3.2Å; Y53-I56 PolarHBondContact O-N 3.3Å; Y53-L57 WeakPolarHBondContact O-CB 3.33Å; Y53-L57 WeakPolarHBondContact O-CD1 3.46Å; Y53-L57 WeakPolarHBondContact O-CG 3.21Å; Y53-L57 PolarHBondContact O-N 3.47Å; Y53-L66 HydrophobicContact CD2-CD2 4.5Å; Y53-G94 VanDerWaalsContact CE2-O 3.23Å; Y53-G94 WeakPolarHBondContact CE2-O 3.3Å; Y53-G94 PolarHBondContact OH-O 3.01Å; Y53-L96 HydrophobicContact CD2-CD1 4.36Å; Y53-L96 HydrophobicContact CD2-CD2 4.25Å; Y53-L96 HydrophobicContact CE2-CB 4.23Å; Y53-L96 HydrophobicContact CE2-CD2 4.48Å; Y53-L96 HydrophobicContact CG-CD2 4.38Å
54E98.6Very high97.4Very high51 Ų5165.7 Ų65.724%0.23836%0.36CS..Hα-helixtrans-58.6-40.8175.8-74-179.3160.200111.7W50 T51 R58 L66W50-E54 WeakPolarHBondContact O-CG 3.2Å; W50-E54 PolarHBondContact O-N 2.92Å; T51-E54 PolarHBondContact O-N 3.33Å; E54-R58 WeakPolarHBondContact O-CB 3.07Å; E54-R58 VanDerWaalsContact O-CG 3.27Å; E54-R58 WeakPolarHBondContact O-CG 3.01Å; E54-R58 PolarHBondContact O-N 3.03Å; E54-L66 HydrophobicContact CG-CB 3.81Å; E54-L66 HydrophobicContact CG-CD2 4.22Å
55S98.4Very high97.3Very high55 Ų5567.3 Ų67.339%0.38537%0.369SS..Hα-helixtrans-63.6-45.6176.4-171.30000111.9T51 E52 Y53 R58 R59T51-S55 WeakPolarHBondContact O-CB 3.31Å; T51-S55 PolarHBondContact O-N 3.2Å; E52-S55 WeakPolarHBondContact O-CB 3.43Å; E52-S55 PolarHBondContact O-N 2.98Å; Y53-S55 VanDerWaalsContact C-N 3.27Å; Y53-S55 PolarHBondContact O-N 3.2Å; S55-R58 PolarHBondContact O-N 3.02Å; S55-R59 WeakPolarHBondContact O-CG 3.47Å; S55-R59 PolarHBondContact O-N 3.44Å; S55-R59 PolarHBondContact O-NH1 2.86Å; S55-R59 PolarHBondContact OG-NH1 2.83Å
56I98.7Very high97.3Very high4 Ų465.6 Ų65.62%0.02136%0.36CS..Hα-helixtrans-64.3-46.3177.2-68.5161.6000111.2P11 L14 E15 L18 E52 Y53 R58 R59 A60P11-I56 HydrophobicContact CB-CD1 3.81Å; L14-I56 HydrophobicContact CB-CG2 4.42Å; L14-I56 HydrophobicContact CD2-CB 4.04Å; L14-I56 HydrophobicContact CD2-CD1 4.21Å; L14-I56 HydrophobicContact CD2-CG2 3.75Å; L14-I56 HydrophobicContact CG-CG2 3.71Å; E15-I56 HydrophobicContact CG-CB 4.45Å; E15-I56 HydrophobicContact CG-CD1 4.01Å; E15-I56 HydrophobicContact CG-CG1 3.86Å; E15-I56 HydrophobicContact CG-CG2 3.72Å; L18-I56 HydrophobicContact CD1-CG2 3.87Å; E52-I56 HydrophobicContact CG-CD1 4.02Å; E52-I56 WeakPolarHBondContact O-CG1 3.16Å; E52-I56 PolarHBondContact O-N 2.95Å; Y53-I56 PolarHBondContact O-N 3.3Å; I56-R58 VanDerWaalsContact C-N 3.33Å; I56-R58 PolarHBondContact O-N 3.31Å; I56-R59 VanDerWaalsContact CG1-NH2 3.26Å; I56-R59 PolarHBondContact O-N 2.83Å; I56-A60 PolarHBondContact O-N 3.32Å
57L98.4Very high97.3Very high3 Ų359.8 Ų59.82%0.01634%0.338CS..Hα-helixtrans-59-43.8177.9-74.2165.6000111.5L18 L23 A31 Y53 A60 G61 C62 L66 L98L18-L57 HydrophobicContact CD1-CD2 3.93Å; L23-L57 HydrophobicContact CD1-CD2 3.58Å; A31-L57 HydrophobicContact CB-CD1 3.65Å; A31-L57 HydrophobicContact CB-CD2 3.98Å; Y53-L57 WeakPolarHBondContact O-CB 3.33Å; Y53-L57 WeakPolarHBondContact O-CD1 3.46Å; Y53-L57 WeakPolarHBondContact O-CG 3.21Å; Y53-L57 PolarHBondContact O-N 3.47Å; L57-A60 CarbonylContact O-C 3.6Å; L57-A60 PolarHBondContact O-N 3.08Å; L57-G61 PolarHBondContact O-N 3.31Å; L57-C62 HydrophobicContact CB-CB 4.16Å; L57-C62 HydrophobicContact CD2-CB 4.47Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.44Å; L57-C62 PolarHBondContact O-N 3.42Å; L57-L66 HydrophobicContact CD1-CD1 3.92Å; L57-L98 HydrophobicContact CD2-CD2 4.43Å
58R97.9Very high97.3Very high173 Ų17363.3 Ų63.365%0.65335%0.351SS*.Hα-helixtrans-63.3-43.8175.9-75.4176.8-172.7163.27.3112.4E54 S55 I56 A60 G61E54-R58 WeakPolarHBondContact O-CB 3.07Å; E54-R58 VanDerWaalsContact O-CG 3.27Å; E54-R58 WeakPolarHBondContact O-CG 3.01Å; E54-R58 PolarHBondContact O-N 3.03Å; S55-R58 PolarHBondContact O-N 3.02Å; I56-R58 VanDerWaalsContact C-N 3.33Å; I56-R58 PolarHBondContact O-N 3.31Å; R58-A60 PolarHBondContact O-N 2.94Å; R58-G61 PolarHBondContact O-N 2.75Å
59R97.4Very high97.3Very high152 Ų15259.3 Ų59.357%0.57432%0.324SS*.Hα-helixtrans-60.6-30.9174.9-73.1-164.5-60.2-83.511112.4E15 S55 I56 G61E15-R59 IonicContact OE1-CZ 3.62Å; E15-R59 IonicContact OE1-NH2 3.42Å; E15-R59 PolarHBondContact OE1-NH2 2.94Å; S55-R59 WeakPolarHBondContact O-CG 3.47Å; S55-R59 PolarHBondContact O-N 3.44Å; S55-R59 PolarHBondContact O-NH1 2.86Å; S55-R59 PolarHBondContact OG-NH1 2.83Å; I56-R59 VanDerWaalsContact CG1-NH2 3.26Å; I56-R59 PolarHBondContact O-N 2.83Å; R59-G61 PolarHBondContact O-N 3.19Å
60A95.8Very high97.3Very high53 Ų5363.2 Ų63.244%0.43834%0.342SS..THydrogen-bonded Turntrans-826.4174.100000114.1L18 I56 L57 R58L18-A60 HydrophobicContact CB-CB 3.86Å; L18-A60 HydrophobicContact CD1-CB 3.69Å; L18-A60 HydrophobicContact CG-CB 4.33Å; I56-A60 PolarHBondContact O-N 3.32Å; L57-A60 CarbonylContact O-C 3.6Å; L57-A60 PolarHBondContact O-N 3.08Å; R58-A60 PolarHBondContact O-N 2.94Å
61G94.1Very high97.3Very high59 Ų5967.2 Ų67.261%0.60836%0.357SS*.THydrogen-bonded Turntrans85.76177.700000115.2L57 R58 R59 V63L57-G61 PolarHBondContact O-N 3.31Å; R58-G61 PolarHBondContact O-N 2.75Å; R59-G61 PolarHBondContact O-N 3.19Å; G61-V63 PolarHBondContact O-N 2.85Å
62C95.4Very high97.3Very high14 Ų1469.3 Ų69.310%0.09536%0.358CS..  trans-82.7107.2173.9-178.10000110.7L23 L57L23-C62 HydrophobicContact CD1-CB 3.9Å; L57-C62 HydrophobicContact CB-CB 4.16Å; L57-C62 HydrophobicContact CD2-CB 4.47Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.44Å; L57-C62 PolarHBondContact O-N 3.42Å
63V91.6Very high97.3Very high139 Ų13969.8 Ų69.884%0.84236%0.36SS*.  trans-86-9.4177.4-60.90000113.7G61G61-V63 PolarHBondContact O-N 2.85Å
64R95.1Very high97.3Very high98 Ų9870.4 Ų70.437%0.3736%0.363SS..SBendtrans-76.1141.2-179.4-66.4171.5175.6-72.84.8110.2T25 V27 E28T25-R64 PolarHBondContact O-NH2 2.99Å; V27-R64 WeakPolarHBondContact O-CD 3.46Å; V27-R64 PolarHBondContact O-NE 2.76Å; V27-R64 PolarHBondContact O-NH1 2.91Å; V27-R64 PolarHBondContact O-NH2 2.94Å; E28-R64 WeakPolarHBondContact O-CD 3.47Å; E28-R64 WeakPolarHBondContact O-CG 3.3Å; E28-R64 PolarHBondContact O-NH1 2.92Å
65A95.8Very high97.3Very high76 Ų7672.3 Ų72.363%0.62837%0.369SS*.PPolyproline II helixtrans-67150.4178.500000111.6S29 A67S29-A65 VanDerWaalsContact CB-O 3.32Å; S29-A65 WeakPolarHBondContact CB-O 3.45Å; S29-A65 PolarHBondContact OG-O 3.5Å; A65-A67 PolarHBondContact O-N 3.48Å
66L98.2Very high97.3Very high9 Ų974 Ų745%0.04737%0.371CS..PPolyproline II helixtrans-69.3117.5175.3-174.966000109.8A31 V33 W50 Y53 E54 L57 L96A31-L66 HydrophobicContact CB-CD1 3.72Å; V33-L66 HydrophobicContact CB-CD2 4.49Å; V33-L66 HydrophobicContact CG1-CD1 4.13Å; V33-L66 HydrophobicContact CG1-CD2 3.71Å; V33-L66 HydrophobicContact CG1-CG 4.12Å; V33-L66 HydrophobicContact CG2-CD2 3.96Å; V33-L66 HydrophobicContact CG2-CG 4.09Å; W50-L66 HydrophobicContact CB-CD2 4.14Å; W50-L66 HydrophobicContact CG-CD2 4.43Å; Y53-L66 HydrophobicContact CD2-CD2 4.5Å; E54-L66 HydrophobicContact CG-CB 3.81Å; E54-L66 HydrophobicContact CG-CD2 4.22Å; L57-L66 HydrophobicContact CD1-CD1 3.92Å; L66-L96 HydrophobicContact CD1-CD1 3.78Å
67A98.6Very high97.3Very high29 Ų2977.3 Ų77.324%0.2438%0.383CS..EExtended strand (participates in β ladder)trans-71.3144.3178.900000111A31 A32 V33 A65A31-A67 PolarHBondContact O-N 3.42Å; A32-A67 CarbonylContact C-O 3.59Å; A32-A67 VanDerWaalsContact CA-O 3.31Å; A32-A67 WeakPolarHBondContact CA-O 3.23Å; A32-A67 HydrophobicContact CB-CB 4.04Å; V33-A67 WeakPolarHBondContact CG2-O 3.31Å; V33-A67 PolarHBondContact N-O 2.7Å; A65-A67 PolarHBondContact O-N 3.48Å
68K98.5Very high97.2Very high95 Ų9578.4 Ų78.441%0.41339%0.392SS..EExtended strand (participates in β ladder)trans-114.7117.8173-57.3176.6-176.572.80107.2V33 E35 W50V33-K68 HydrophobicContact CG2-CG 4.12Å; E35-K68 HydrophobicContact CB-CB 4.06Å; E35-K68 HydrophobicContact CG-CB 4.42Å; E35-K68 VanDerWaalsContact OE2-CB 3.27Å; E35-K68 WeakPolarHBondContact OE2-CB 3.44Å; E35-K68 WeakPolarHBondContact OE2-CD 3.49Å; W50-K68 HydrophobicContact CE3-CD 4.33Å; W50-K68 HydrophobicContact CH2-CD 4.18Å; W50-K68 HydrophobicContact CZ3-CD 3.68Å; W50-K68 HydrophobicContact CZ3-CG 4.3Å
69I98.4Very high97.2Very high15 Ų1577.3 Ų77.38%0.07739%0.392CS..EExtended strand (participates in β ladder)trans-116.1146.7-176.759.6174.7000110.6A32 V33 E35 F74A32-I69 HydrophobicContact CB-CD1 4.22Å; A32-I69 HydrophobicContact CB-CG1 4.46Å; A32-I69 HydrophobicContact CB-CG2 4.48Å; V33-I69 WeakPolarHBondContact O-CG1 3.49Å; V33-I69 PolarHBondContact O-N 2.62Å; E35-I69 VanDerWaalsContact CB-O 3.32Å; E35-I69 WeakPolarHBondContact CB-O 3.41Å; E35-I69 PolarHBondContact N-O 3.37Å; I69-F74 HydrophobicContact CD1-CB 3.85Å; I69-F74 HydrophobicContact CD1-CD2 3.58Å; I69-F74 HydrophobicContact CD1-CE2 4.48Å; I69-F74 HydrophobicContact CD1-CG 4.08Å; I69-F74 HydrophobicContact CG1-CB 3.9Å; I69-F74 HydrophobicContact CG1-CD2 3.65Å; I69-F74 HydrophobicContact CG1-CG 4.26Å
70E98.6Very high97.3Very high91 Ų9178.2 Ų78.243%0.42540%0.4SS..  trans-56.1149.8-179.4-169.1-73.5131.100110.6F72 E73 F74E70-F72 VanDerWaalsContact CD-N 3.28Å; E70-F72 PolarHBondContact O-N 3.38Å; E70-F72 WeakPolarHBondContact OE1-CD2 3.21Å; E70-F72 PolarHBondContact OE1-N 3.08Å; E70-F72 WeakPolarHBondContact OE2-CA 3.37Å; E70-F72 VanDerWaalsContact OE2-CB 3.3Å; E70-F72 WeakPolarHBondContact OE2-CB 3.4Å; E70-F72 PolarHBondContact OE2-N 3.41Å; E70-E73 HydrophobicContact CB-CB 4.23Å; E70-E73 CarbonylContact O-C 3.59Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 2.98Å; E70-E73 PolarHBondContact OE2-N 3.14Å; E70-F74 PolarHBondContact O-N 3.22Å
71R98.3Very high97.4Very high105 Ų10577.7 Ų77.740%0.39640%0.396SS..Hα-helixtrans-55.5-47.6-172.6172.6172.3-179.3-167.8-1.1114M34 F74 Y75M34-R71 HydrophobicContact CE-CG 4.13Å; M34-R71 HydrophobicContact CG-CB 4.13Å; M34-R71 HydrophobicContact SD-CB 3.91Å; M34-R71 HydrophobicContact SD-CG 3.67Å; R71-F74 WeakPolarHBondContact O-CB 3.45Å; R71-F74 PolarHBondContact O-N 2.98Å; R71-Y75 HydrophobicContact CG-CD2 4.29Å; R71-Y75 HydrophobicContact CG-CE2 3.57Å; R71-Y75 PolarHBondContact NE-OH 3.31Å; R71-Y75 PolarHBondContact NH2-OH 3.05Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.46Å; R71-Y75 PolarHBondContact O-N 3.49Å
72F98.1Very high97.6Very high139 Ų13983.7 Ų83.761%0.6141%0.405SS*.Hα-helixtrans-72.9-36178.3-61.9-73.6000111.7E70 F74 Y75 E76E70-F72 VanDerWaalsContact CD-N 3.28Å; E70-F72 PolarHBondContact O-N 3.38Å; E70-F72 WeakPolarHBondContact OE1-CD2 3.21Å; E70-F72 PolarHBondContact OE1-N 3.08Å; E70-F72 WeakPolarHBondContact OE2-CA 3.37Å; E70-F72 VanDerWaalsContact OE2-CB 3.3Å; E70-F72 WeakPolarHBondContact OE2-CB 3.4Å; E70-F72 PolarHBondContact OE2-N 3.41Å; F72-F74 VanDerWaalsContact C-N 3.29Å; F72-F74 PolarHBondContact O-N 3.44Å; F72-Y75 HydrophobicContact CD1-CD2 4.1Å; F72-Y75 HydrophobicContact CD1-CE2 4.47Å; F72-Y75 PolarHBondContact O-N 2.91Å; F72-E76 PolarHBondContact O-N 2.94Å
73E98.6Very high97.7Very high105 Ų10584.5 Ų84.549%0.49141%0.413SS..Hα-helixtrans-59.1-41.3170.9-169.5-173.3166.400111.7E70 Y75 E76 R77E70-E73 HydrophobicContact CB-CB 4.23Å; E70-E73 CarbonylContact O-C 3.59Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 2.98Å; E70-E73 PolarHBondContact OE2-N 3.14Å; E73-Y75 PolarHBondContact O-N 2.79Å; E73-E76 PolarHBondContact O-N 2.97Å; E73-R77 WeakPolarHBondContact O-CB 3.41Å; E73-R77 PolarHBondContact O-N 3.19Å
74F98.7Very high98Very high14 Ų1481.5 Ų81.56%0.06140%0.395CS..Hα-helixtrans-59.4-45.9174.7-169-79.6000111.2M34 I69 E70 R71 F72 R77 A78 N95 I97M34-F74 HydrophobicContact CB-CB 4.27Å; M34-F74 HydrophobicContact CB-CD2 3.86Å; M34-F74 HydrophobicContact CB-CE2 4.44Å; M34-F74 HydrophobicContact CB-CG 3.99Å; M34-F74 HydrophobicContact CE-CB 3.92Å; M34-F74 HydrophobicContact CE-CD1 3.68Å; M34-F74 HydrophobicContact CE-CE1 4.46Å; M34-F74 HydrophobicContact CE-CG 3.87Å; M34-F74 HydrophobicContact CG-CB 4.4Å; I69-F74 HydrophobicContact CD1-CB 3.85Å; I69-F74 HydrophobicContact CD1-CD2 3.58Å; I69-F74 HydrophobicContact CD1-CE2 4.48Å; I69-F74 HydrophobicContact CD1-CG 4.08Å; I69-F74 HydrophobicContact CG1-CB 3.9Å; I69-F74 HydrophobicContact CG1-CD2 3.65Å; I69-F74 HydrophobicContact CG1-CG 4.26Å; E70-F74 PolarHBondContact O-N 3.22Å; R71-F74 WeakPolarHBondContact O-CB 3.45Å; R71-F74 PolarHBondContact O-N 2.98Å; F72-F74 VanDerWaalsContact C-N 3.29Å; F72-F74 PolarHBondContact O-N 3.44Å; F74-R77 PolarHBondContact O-N 3.28Å; F74-A78 HydrophobicContact CD1-CB 4.49Å; F74-A78 HydrophobicContact CE1-CB 4.37Å; F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.18Å; F74-A78 PolarHBondContact O-N 2.99Å; F74-N95 HydrophobicContact CE1-CB 4.02Å; F74-N95 VanDerWaalsContact CE1-ND2 3.3Å; F74-N95 WeakPolarHBondContact CE1-ND2 3.3Å; F74-N95 WeakPolarHBondContact CE2-ND2 3.17Å; F74-N95 HydrophobicContact CZ-CB 3.78Å; F74-N95 WeakPolarHBondContact CZ-ND2 3.35Å; F74-I97 HydrophobicContact CD1-CD1 4.31Å; F74-I97 HydrophobicContact CD2-CD1 3.99Å; F74-I97 HydrophobicContact CE1-CD1 3.99Å; F74-I97 HydrophobicContact CE1-CG1 4.25Å; F74-I97 HydrophobicContact CE2-CD1 3.63Å; F74-I97 HydrophobicContact CE2-CG1 3.78Å; F74-I97 HydrophobicContact CG-CD1 4.3Å; F74-I97 HydrophobicContact CZ-CD1 3.61Å; F74-I97 HydrophobicContact CZ-CG1 3.55Å
75Y98.3Very high98.2Very high90 Ų9080 Ų8035%0.35340%0.396SS..Hα-helixtrans-62.6-43.6177.3-62.9-36.1000112.2M34 R71 F72 E73 R77 A78 K79M34-Y75 HydrophobicContact CE-CD1 4.09Å; M34-Y75 HydrophobicContact CE-CE1 3.49Å; M34-Y75 VanDerWaalsContact CE-CE1 3.49Å; R71-Y75 HydrophobicContact CG-CD2 4.29Å; R71-Y75 HydrophobicContact CG-CE2 3.57Å; R71-Y75 PolarHBondContact NE-OH 3.31Å; R71-Y75 PolarHBondContact NH2-OH 3.05Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.46Å; R71-Y75 PolarHBondContact O-N 3.49Å; F72-Y75 HydrophobicContact CD1-CD2 4.1Å; F72-Y75 HydrophobicContact CD1-CE2 4.47Å; F72-Y75 PolarHBondContact O-N 2.91Å; E73-Y75 PolarHBondContact O-N 2.79Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.41Å; Y75-A78 PolarHBondContact O-N 2.69Å; Y75-K79 WeakPolarHBondContact O-CG 3.32Å; Y75-K79 PolarHBondContact O-N 3.47Å
76E98.6Very high98.4Very high91 Ų9177.9 Ų77.943%0.42538%0.38SS..Hα-helixtrans-64.4-36177-71.4-52.1122.400112.5F72 E73 K79 K80F72-E76 PolarHBondContact O-N 2.94Å; E73-E76 PolarHBondContact O-N 2.97Å; E76-K79 IonicContact OE1-NZ 3.55Å; E76-K79 PolarHBondContact OE1-NZ 3.42Å; E76-K80 WeakPolarHBondContact O-CG 3.45Å
77R98.2Very high98.4Very high74 Ų7479.2 Ų79.228%0.27939%0.388SS..Hα-helixtrans-71.1-40.1174.7-168173.9173.4169.6-6.6112E73 F74 Y75 K80 A81 I97E73-R77 WeakPolarHBondContact O-CB 3.41Å; E73-R77 PolarHBondContact O-N 3.19Å; F74-R77 PolarHBondContact O-N 3.28Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.41Å; R77-K80 PolarHBondContact O-N 3.42Å; R77-A81 PolarHBondContact O-N 3.19Å; R77-I97 HydrophobicContact CB-CD1 4.03Å; R77-I97 HydrophobicContact CG-CD1 3.94Å
78A98.1Very high98.4Very high25 Ų2579.6 Ų79.621%0.20739%0.394CS..Hα-helixtrans-64.6-38.9178.700000112.3F74 Y75 K80 A81 I97F74-A78 HydrophobicContact CD1-CB 4.49Å; F74-A78 HydrophobicContact CE1-CB 4.37Å; F74-A78 VanDerWaalsContact O-CB 3.31Å; F74-A78 WeakPolarHBondContact O-CB 3.18Å; F74-A78 PolarHBondContact O-N 2.99Å; Y75-A78 PolarHBondContact O-N 2.69Å; A78-K80 PolarHBondContact O-N 2.79Å; A78-A81 WeakPolarHBondContact O-CB 3.44Å; A78-A81 PolarHBondContact O-N 3.17Å; A78-I97 HydrophobicContact CB-CD1 4.37Å
79K97.6Very high98.4Very high151 Ų15177.6 Ų77.666%0.65739%0.386SS*.Hα-helixtrans-58.9-28.3174.7-72.7170.8-173173.20113.3Y75 E76Y75-K79 WeakPolarHBondContact O-CG 3.32Å; Y75-K79 PolarHBondContact O-N 3.47Å; E76-K79 IonicContact OE1-NZ 3.55Å; E76-K79 PolarHBondContact OE1-NZ 3.42Å
80K97.8Very high98.4Very high171 Ų17183.1 Ų83.174%0.74342%0.421SS*.THydrogen-bonded Turntrans-90.7-2.4179.5-62.1173-172.8175.10112.8E76 R77 A78E76-K80 WeakPolarHBondContact O-CG 3.45Å; R77-K80 PolarHBondContact O-N 3.42Å; A78-K80 PolarHBondContact O-N 2.79Å
81A98.3Very high98.4Very high42 Ų4280.4 Ų80.435%0.34742%0.415SS..SBendtrans-69.3146.9178.800000111R77 A78 A83R77-A81 PolarHBondContact O-N 3.19Å; A78-A81 WeakPolarHBondContact O-CB 3.44Å; A78-A81 PolarHBondContact O-N 3.17Å; A81-A83 VanDerWaalsContact C-N 3.31Å; A81-A83 PolarHBondContact O-N 3.38Å
82F98.4Very high98.4Very high184 Ų18481 Ų8181%0.80743%0.425SS*.SBendtrans-60.3-43.2175.2176.1-99.6000111.9M1M1-F82 HydrophobicContact CE-CD1 4.32Å; M1-F82 HydrophobicContact CE-CE1 3.71Å; M1-F82 HydrophobicContact CE-CZ 4.3Å; M1-F82 PolarHBondContact N-O 2.89Å
83A98.2Very high98.4Very high32 Ų3275.9 Ų75.926%0.26440%0.402SS..  trans-142.8151.5177.700000111M1 I3 A81M1-A83 HydrophobicContact CB-CB 4.46Å; M1-A83 HydrophobicContact CE-CB 3.74Å; M1-A83 CarbonylContact O-C 3.54Å; M1-A83 VanDerWaalsContact O-CA 3.3Å; M1-A83 WeakPolarHBondContact O-CA 3.44Å; I3-A83 HydrophobicContact CD1-CB 4.37Å; A81-A83 VanDerWaalsContact C-N 3.31Å; A81-A83 PolarHBondContact O-N 3.38Å
84V98.6Very high98.4Very high76 Ų7671 Ų7146%0.46138%0.379SS..EExtended strand (participates in β ladder)trans-117128.4168.2177.80000107.3M1 E2 I3M1-V84 PolarHBondContact O-N 3.42Å; E2-V84 WeakPolarHBondContact CA-O 3.3Å; I3-V84 PolarHBondContact N-O 2.82Å
85V98.7Very high98.4Very high65 Ų6572.6 Ų72.639%0.39439%0.388SS..EExtended strand (participates in β ladder)trans-100.6114.2173.6-170.80000108.1I3 A5 L13 T87I3-V85 HydrophobicContact CB-CG2 4.34Å; I3-V85 CarbonylContact O-C 3.52Å; I3-V85 VanDerWaalsContact O-CA 3.3Å; I3-V85 WeakPolarHBondContact O-CA 3.45Å; A5-V85 HydrophobicContact CB-CG1 3.73Å; L13-V85 HydrophobicContact CD2-CB 4.42Å; L13-V85 HydrophobicContact CD2-CG1 3.81Å; V85-T87 HydrophobicContact CG1-CG2 4.17Å
86A98.7Very high98.4Very high33 Ų3370 Ų7027%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-83.5118.917300000108.8I3 A5I3-A86 PolarHBondContact O-N 2.62Å; A5-A86 CarbonylContact C-O 3.51Å; A5-A86 PolarHBondContact N-O 3.29Å
87T98.8Very high98.4Very high37 Ų3766.8 Ų66.823%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-110.5172.1-17564.90000111.3A5 L8 I10 L13 V85 E89A5-T87 HydrophobicContact CB-CG2 4.46Å; A5-T87 WeakPolarHBondContact O-CA 3.32Å; L8-T87 WeakPolarHBondContact O-CB 3.45Å; I10-T87 HydrophobicContact CG1-CG2 3.97Å; L13-T87 HydrophobicContact CD2-CG2 3.86Å; V85-T87 HydrophobicContact CG1-CG2 4.17Å; T87-E89 PolarHBondContact O-N 3.43Å; T87-E89 WeakPolarHBondContact OG1-CB 3.34Å; T87-E89 PolarHBondContact OG1-N 3.35Å
88G98.4Very high98.4Very high36 Ų3665.5 Ų65.537%0.37137%0.365SS..  trans-8615.4169.700000114D6 L8 T90D6-G88 WeakPolarHBondContact O-CA 3.44Å; D6-G88 PolarHBondContact O-N 2.87Å; L8-G88 PolarHBondContact O-N 2.78Å; G88-T90 PolarHBondContact O-N 3Å
89E98.5Very high98.5Very high53 Ų5370.3 Ų70.325%0.24838%0.377CS..  trans-66.1127.3-175.4-177.458.1-105.700111.5I10 P11 T87 A91I10-E89 HydrophobicContact CB-CB 4.45Å; I10-E89 HydrophobicContact CB-CG 4.3Å; I10-E89 HydrophobicContact CD1-CB 3.85Å; I10-E89 HydrophobicContact CD1-CG 3.88Å; I10-E89 HydrophobicContact CG1-CB 3.76Å; I10-E89 HydrophobicContact CG1-CG 4.01Å; I10-E89 PolarHBondContact N-OE2 3.02Å; P11-E89 VanDerWaalsContact CD-OE2 3.26Å; P11-E89 WeakPolarHBondContact CD-OE2 3.27Å; T87-E89 PolarHBondContact O-N 3.43Å; T87-E89 WeakPolarHBondContact OG1-CB 3.34Å; T87-E89 PolarHBondContact OG1-N 3.35Å; E89-A91 HydrophobicContact CG-CB 4.17Å; E89-A91 VanDerWaalsContact OE1-CB 3.23Å; E89-A91 WeakPolarHBondContact OE1-CB 3.49Å; E89-A91 PolarHBondContact OE1-N 2.93Å
90T98.2Very high98.5Very high131 Ų13169.7 Ų69.780%0.80438%0.375SS*.  trans-104.6-10.7-179.456.80000112.9G88 L92G88-T90 PolarHBondContact O-N 3Å; T90-L92 PolarHBondContact O-N 3.29Å
91A98.4Very high98.4Very high35 Ų3562.1 Ų62.129%0.28935%0.345SS..SBendtrans-61.1126.2177.300000111.3V49 E89 Y93 G94V49-A91 HydrophobicContact CB-CB 3.84Å; V49-A91 HydrophobicContact CG1-CB 3.95Å; V49-A91 HydrophobicContact CG2-CB 3.97Å; E89-A91 HydrophobicContact CG-CB 4.17Å; E89-A91 VanDerWaalsContact OE1-CB 3.23Å; E89-A91 WeakPolarHBondContact OE1-CB 3.49Å; E89-A91 PolarHBondContact OE1-N 2.93Å; A91-Y93 PolarHBondContact O-N 2.77Å; A91-G94 PolarHBondContact O-N 3.06Å; A91-G94 VanDerWaalsContact O-N 3.08Å
92L98.2Very high98.1Very high116 Ų11665.2 Ų65.261%0.60736%0.36SS*.THydrogen-bonded Turntrans-60.7137.8174.5-61.9179.4000110L45 T90 G94L45-L92 HydrophobicContact CD1-CD1 4.37Å; L45-L92 HydrophobicContact CD2-CD1 4.24Å; T90-L92 PolarHBondContact O-N 3.29Å; L92-G94 PolarHBondContact O-N 3.18Å
93Y98.5Very high97.6Very high33 Ų3362.5 Ų62.513%0.12935%0.353CS..THydrogen-bonded Turntrans56.226.7-175.2-59.5-94.9000113.6M34 E35 L36 V37 D40 L45 T47 W50 A91 N95M34-Y93 HydrophobicContact CB-CD1 4.33Å; M34-Y93 HydrophobicContact CG-CD1 4.16Å; M34-Y93 HydrophobicContact CG-CE1 4.34Å; M34-Y93 HydrophobicContact SD-CD1 4.37Å; M34-Y93 HydrophobicContact SD-CE1 4.33Å; E35-Y93 WeakPolarHBondContact O-CE1 3.32Å; L36-Y93 HydrophobicContact CD2-CD1 4.05Å; L36-Y93 HydrophobicContact CD2-CD2 3.44Å; L36-Y93 VanDerWaalsContact CD2-CD2 3.44Å; L36-Y93 HydrophobicContact CD2-CE1 3.95Å; L36-Y93 HydrophobicContact CD2-CE2 3.34Å; L36-Y93 HydrophobicContact CD2-CG 3.81Å; V37-Y93 PolarHBondContact N-OH 2.91Å; D40-Y93 PolarHBondContact OD2-OH 3.08Å; L45-Y93 HydrophobicContact CD2-CD2 4.15Å; L45-Y93 HydrophobicContact CD2-CE2 3.72Å; T47-Y93 HydrophobicContact CG2-CD2 4.35Å; T47-Y93 HydrophobicContact CG2-CG 4.45Å; W50-Y93 HydrophobicContact CZ2-CG 4.44Å; W50-Y93 PolarHBondContact NE1-O 3.18Å; A91-Y93 PolarHBondContact O-N 2.77Å; Y93-N95 VanDerWaalsContact C-N 3.27Å; Y93-N95 PolarHBondContact O-N 3.18Å
94G98.5Very high96.2Very high2 Ų265.1 Ų65.12%0.02138%0.375CS..  trans-74.7-10.1177.300000114.5I10 Y53 A91 L92 L96I10-G94 WeakPolarHBondContact CD1-O 3.34Å; Y53-G94 VanDerWaalsContact CE2-O 3.23Å; Y53-G94 WeakPolarHBondContact CE2-O 3.3Å; Y53-G94 PolarHBondContact OH-O 3.01Å; A91-G94 PolarHBondContact O-N 3.06Å; A91-G94 VanDerWaalsContact O-N 3.08Å; L92-G94 PolarHBondContact O-N 3.18Å; G94-L96 PolarHBondContact O-N 3.32Å
95N98.8Very high94.5Very high47 Ų4769.7 Ų69.725%0.25140%0.396SS..  trans-61134.9179.452.3-85000112.3V33 M34 F74 Y93V33-N95 WeakPolarHBondContact CA-O 3.44Å; V33-N95 WeakPolarHBondContact CG1-O 3.34Å; M34-N95 WeakPolarHBondContact CB-ND2 3.26Å; M34-N95 PolarHBondContact N-ND2 3.5Å; F74-N95 HydrophobicContact CE1-CB 4.02Å; F74-N95 VanDerWaalsContact CE1-ND2 3.3Å; F74-N95 WeakPolarHBondContact CE1-ND2 3.3Å; F74-N95 WeakPolarHBondContact CE2-ND2 3.17Å; F74-N95 HydrophobicContact CZ-CB 3.78Å; F74-N95 WeakPolarHBondContact CZ-ND2 3.35Å; Y93-N95 VanDerWaalsContact C-N 3.27Å; Y93-N95 PolarHBondContact O-N 3.18Å
96L98.9Very high92.5Very high36 Ų3671.2 Ų71.219%0.18840%0.401CS..EExtended strand (participates in β ladder)trans-135.9132.9-173.8179.665000110.4I10 L14 A31 A32 V33 Y53 L66 G94 L98I10-L96 HydrophobicContact CG2-CD2 4.44Å; L14-L96 HydrophobicContact CD1-CD2 3.65Å; L14-L96 HydrophobicContact CD2-CD2 3.71Å; L14-L96 HydrophobicContact CG-CD2 4.22Å; A31-L96 HydrophobicContact CB-CD1 4.28Å; A32-L96 CarbonylContact O-C 3.56Å; A32-L96 WeakPolarHBondContact O-CA 3.1Å; V33-L96 HydrophobicContact CG1-CD1 3.97Å; Y53-L96 HydrophobicContact CD2-CD1 4.36Å; Y53-L96 HydrophobicContact CD2-CD2 4.25Å; Y53-L96 HydrophobicContact CE2-CB 4.23Å; Y53-L96 HydrophobicContact CE2-CD2 4.48Å; Y53-L96 HydrophobicContact CG-CD2 4.38Å; L66-L96 HydrophobicContact CD1-CD1 3.78Å; G94-L96 PolarHBondContact O-N 3.32Å; L96-L98 HydrophobicContact CD1-CD2 4.42Å; L96-L98 HydrophobicContact CD2-CD2 4.03Å; L96-L98 HydrophobicContact CD2-CG 4.48Å; L96-L98 HydrophobicContact CG-CD2 4.09Å; L96-L98 HydrophobicContact CG-CG 4.44Å
97I98.8Very high90.3Very high23 Ų2375.4 Ų75.412%0.11843%0.426CS..EExtended strand (participates in β ladder)trans-107.7130.8170.1-68.2169.2000108.3A31 A32 F74 R77 A78A31-I97 CarbonylContact C-O 3.54Å; A31-I97 VanDerWaalsContact CA-O 3.3Å; A31-I97 WeakPolarHBondContact CA-O 3.12Å; A32-I97 PolarHBondContact N-O 2.96Å; A32-I97 PolarHBondContact O-N 3.46Å; F74-I97 HydrophobicContact CD1-CD1 4.31Å; F74-I97 HydrophobicContact CD2-CD1 3.99Å; F74-I97 HydrophobicContact CE1-CD1 3.99Å; F74-I97 HydrophobicContact CE1-CG1 4.25Å; F74-I97 HydrophobicContact CE2-CD1 3.63Å; F74-I97 HydrophobicContact CE2-CG1 3.78Å; F74-I97 HydrophobicContact CG-CD1 4.3Å; F74-I97 HydrophobicContact CZ-CD1 3.61Å; F74-I97 HydrophobicContact CZ-CG1 3.55Å; R77-I97 HydrophobicContact CB-CD1 4.03Å; R77-I97 HydrophobicContact CG-CD1 3.94Å; A78-I97 HydrophobicContact CB-CD1 4.37Å
98L98.8Very high87.9Confident48 Ų4880.8 Ų80.825%0.25145%0.453SS..EExtended strand (participates in β ladder)trans-111.5140.5172-59.1177.8000110.3L14 V17 L18 L21 L23 P30 A31 L57 L96L14-L98 HydrophobicContact CD1-CD1 3.68Å; L14-L98 HydrophobicContact CD1-CD2 4.06Å; L14-L98 HydrophobicContact CD1-CG 4.37Å; V17-L98 HydrophobicContact CG1-CD1 4.01Å; L18-L98 HydrophobicContact CD2-CD1 4.24Å; L21-L98 HydrophobicContact CD2-CB 4.32Å; L21-L98 HydrophobicContact CD2-CD1 4.25Å; L23-L98 HydrophobicContact CD2-CB 4.22Å; L23-L98 HydrophobicContact CD2-CD2 4.21Å; P30-L98 CarbonylContact O-C 3.58Å; P30-L98 WeakPolarHBondContact O-CA 3.44Å; A31-L98 HydrophobicContact CB-CD2 3.96Å; L57-L98 HydrophobicContact CD2-CD2 4.43Å; L96-L98 HydrophobicContact CD1-CD2 4.42Å; L96-L98 HydrophobicContact CD2-CD2 4.03Å; L96-L98 HydrophobicContact CD2-CG 4.48Å; L96-L98 HydrophobicContact CG-CD2 4.09Å; L96-L98 HydrophobicContact CG-CG 4.44Å
99R98.4Very high85.3Confident126 Ų12689.5 Ų89.548%0.47549%0.489SS..  trans-108114.9173.2-170.7172.2169.1148.9-1.2109.5D24 V27 P30D24-R99 HydrophobicContact CB-CB 4.22Å; D24-R99 HydrophobicContact CB-CG 3.83Å; D24-R99 PolarHBondContact N-O 3.34Å; D24-R99 WeakPolarHBondContact OD2-CD 3.4Å; D24-R99 IonicContact OD2-CZ 2.7Å; D24-R99 IonicContact OD2-NE 3.52Å; D24-R99 PolarHBondContact OD2-NE 2.97Å; D24-R99 IonicContact OD2-NH2 3.81Å; V27-R99 VanDerWaalsContact CG1-CZ 3.48Å; P30-R99 HydrophobicContact CB-CB 4.41Å; P30-R99 PolarHBondContact O-N 2.87Å
100K97.8Very high84.7Confident137 Ų13791.3 Ų91.360%0.59650%0.501SS*.BIsolated β-bridgetrans-64.8131.5175.9-175.9-177.6175.3-176.40110.2L21 P22L21-K100 HydrophobicContact CD1-CB 3.93Å; L21-K100 HydrophobicContact CD1-CD 3.79Å; L21-K100 HydrophobicContact CD1-CG 3.65Å; L21-K100 HydrophobicContact CG-CB 4.41Å; L21-K100 HydrophobicContact CG-CG 4.32Å; P22-K100 WeakPolarHBondContact O-CA 3.45Å
101G95.7Very high84Confident12 Ų1289.2 Ų89.212%0.12449%0.486CS..  trans-95.3-164.6173.100000113.6P22 D24P22-G101 PolarHBondContact O-N 3.23Å; D24-G101 VanDerWaalsContact CA-CA 3.42Å
102V93.2Very high83.2Confident108 Ų10892.2 Ų92.266%0.65550%0.496SS*.  trans-89.7138.9176.2-178.40000109.3A104V102-A104 PolarHBondContact O-N 3.28Å
103L86.9Confident82.3Confident126 Ų12690.8 Ų90.866%0.6649%0.49SS*.  trans-75.2114.9164.2-72.8167.9000107.6P22 L105P22-L103 HydrophobicContact CB-CD2 4.32Å; P22-L103 HydrophobicContact CG-CD2 3.62Å; P22-L103 HydrophobicContact CG-CG 3.93Å; L103-L105 PolarHBondContact O-N 3.42Å
104A69.9Low81.3Confident88 Ų8894.4 Ų94.473%0.72751%0.512SS*.PPolyproline II helixtrans-70.7124.316200000107.5V102 N106V102-A104 PolarHBondContact O-N 3.28Å; A104-N106 PolarHBondContact O-N 3.18Å
105L61.9Low80.1Confident172 Ų172100.6 Ų100.690%0.90155%0.545SS*.PPolyproline II helixtrans-56122.1158.3-85.8150.2000105.9L103L103-L105 PolarHBondContact O-N 3.42Å
106N56.3Low78.8Confident96 Ų96104.4 Ų104.451%0.51357%0.566SS.*PPolyproline II helixtrans-54.4130-176.7-152.411.7000109A104 L108 L109A104-N106 PolarHBondContact O-N 3.18Å; N106-L108 PolarHBondContact O-N 2.93Å; N106-L108 VanDerWaalsContact O-N 3.09Å; N106-L109 PolarHBondContact O-N 3.36Å
107P53.8Low77.2Confident122 Ų122109.7 Ų109.779%0.79260%0.595SS**THydrogen-bonded Turntrans-70.96.8168.827.3-32000113.1
108L48.8Very low75.4Confident150 Ų150116.9 Ų116.979%0.78564%0.635SS**THydrogen-bonded Turntrans-117.924.8178.3-67.8170.1000112.6N106N106-L108 PolarHBondContact O-N 2.93Å; N106-L108 VanDerWaalsContact O-N 3.09Å
109L43.6Very low73.3Confident218 Ų218123.2 Ų123.2100%1.14167%0.67SS**  trans-115.80150-86.2168.6000108.3N106N106-L109 PolarHBondContact O-N 3.36Å

Retrieved 109 of 109 residues in 195.8 ms (Link to these results)

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