A0A087Y9Q2_POEFO Loading...

aldose reductase

AlphaFold DB , UniProt , Accession A0A087Y9Q2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 318 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
1I52.3Low85.4Confident176 Ų17682.8 Ų82.890%0.90344%0.437SS*.  0125.80-63169.7000106.8M3I1-M3 PolarHBondContact O-N 3.05Å
2K56.6Low86.4Confident187 Ų18779.8 Ų79.881%0.81344%0.441SS*.PPolyproline II helixtrans-63.5121.6179.2-147.8177.3-174.8-175.90107.4I4K2-I4 PolarHBondContact O-N 3.4Å
3M67.8Low87.2Confident185 Ų18576.5 Ų76.591%0.91143%0.43SS*.PPolyproline II helixtrans-62125.2178.2-74.1-155.7-64.200109.1I1I1-M3 PolarHBondContact O-N 3.05Å
4I83.9Confident88Confident34 Ų3480.4 Ų80.417%0.17444%0.44CS..PPolyproline II helixtrans-73.4148.5173.452.3173.2000109.9K2 P16 F276 F279K2-I4 PolarHBondContact O-N 3.4Å; I4-P16 HydrophobicContact CD1-CB 3.82Å; I4-P16 HydrophobicContact CG1-CB 4.45Å; I4-F276 HydrophobicContact CD1-CE2 3.9Å; I4-F276 HydrophobicContact CD1-CZ 4Å; I4-F276 HydrophobicContact CG2-CE1 4.07Å; I4-F276 HydrophobicContact CG2-CE2 4.04Å; I4-F276 HydrophobicContact CG2-CZ 3.42Å; I4-F276 VanDerWaalsContact CG2-CZ 3.42Å; I4-F279 HydrophobicContact CB-CE2 4.1Å; I4-F279 HydrophobicContact CG2-CD2 4Å; I4-F279 HydrophobicContact CG2-CE2 3.74Å
5P94.1Very high88.7Confident65 Ų6575.1 Ų75.142%0.42241%0.411SS..PPolyproline II helixtrans-57.6153.9174.4-21.532.6000111.9I17 F279P5-I17 HydrophobicContact CB-CG2 4.08Å; P5-I17 WeakPolarHBondContact O-CB 3.29Å; P5-I17 VanDerWaalsContact O-CG2 3.29Å; P5-I17 WeakPolarHBondContact O-CG2 3.47Å; P5-I17 PolarHBondContact O-N 3.21Å; P5-F279 HydrophobicContact CG-CD1 3.89Å; P5-F279 HydrophobicContact CG-CE1 3.63Å; P5-F279 HydrophobicContact CG-CZ 4.16Å
6A97Very high89.3Confident39 Ų3971.3 Ų71.332%0.32239%0.391SS..EExtended strand (participates in β ladder)trans-131.2145.6177.100000109.6K14 M15A6-K14 HydrophobicContact CB-CB 3.95Å; A6-M15 CarbonylContact C-O 3.6Å; A6-M15 WeakPolarHBondContact CA-O 3.49Å; A6-M15 VanDerWaalsContact CB-O 3.28Å; A6-M15 WeakPolarHBondContact CB-O 3.09Å
7V97.4Very high89.8Confident1 Ų167.5 Ų67.51%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-80.5145.2162.7-58.20000108.3M15 I17 T208 A261V7-M15 HydrophobicContact CG2-CB 3.9Å; V7-M15 HydrophobicContact CG2-CE 3.32Å; V7-M15 HydrophobicContact CG2-CG 4.43Å; V7-M15 PolarHBondContact N-O 3.26Å; V7-M15 PolarHBondContact O-N 2.76Å; V7-I17 HydrophobicContact CG1-CD1 3.95Å; V7-I17 HydrophobicContact CG1-CG1 3.9Å; V7-T208 HydrophobicContact CB-CG2 4.01Å; V7-T208 HydrophobicContact CG2-CG2 3.93Å; V7-A261 HydrophobicContact CG2-CB 4.39Å
8T98.1Very high90.2Very high69 Ų6963.7 Ų63.742%0.42335%0.349SS..EExtended strand (participates in β ladder)trans-98.1119.5178-52.30000108.6K14 T208T8-K14 HydrophobicContact CG2-CD 4.3Å; T8-K14 PolarHBondContact OG1-NZ 3.28Å; T8-T208 VanDerWaalsContact O-CG2 3.3Å; T8-T208 WeakPolarHBondContact O-CG2 3.41Å
9L98.6Very high90.7Very high4 Ų460.4 Ų60.42%0.02133%0.331CS..PPolyproline II helixtrans-69161.1174.6-59.2-169.6000110.4N11 G12 A13 M15 F76 A158 A183 T208L9-N11 VanDerWaalsContact CB-OD1 3.3Å; L9-N11 WeakPolarHBondContact CB-OD1 3.47Å; L9-N11 PolarHBondContact O-N 2.95Å; L9-N11 VanDerWaalsContact O-N 3.12Å; L9-G12 PolarHBondContact O-N 2.78Å; L9-A13 HydrophobicContact CB-CB 4.39Å; L9-A13 HydrophobicContact CD1-CB 4.18Å; L9-A13 HydrophobicContact CG-CB 4.44Å; L9-A13 PolarHBondContact N-O 2.93Å; L9-M15 HydrophobicContact CD2-CB 4.22Å; L9-M15 HydrophobicContact CD2-CE 4.27Å; L9-M15 HydrophobicContact CG-CB 4.38Å; L9-F76 HydrophobicContact CD1-CE2 4.24Å; L9-F76 HydrophobicContact CD1-CZ 3.93Å; L9-A158 HydrophobicContact CD1-CB 3.98Å; L9-A183 HydrophobicContact CB-CB 4.24Å; L9-A183 HydrophobicContact CD1-CB 4.13Å; L9-A183 HydrophobicContact CD2-CB 4.37Å; L9-A183 HydrophobicContact CG-CB 4.48Å; L9-T208 HydrophobicContact CD2-CG2 3.88Å; L9-T208 VanDerWaalsContact CD2-OG1 3.23Å; L9-T208 WeakPolarHBondContact CD2-OG1 3.45Å
10N97.3Very high91.1Very high68 Ų6857.5 Ų57.536%0.36432%0.315SS..THydrogen-bonded Turntrans-62.5-17.5179.761.914.1000114.4K181 P182N10-K181 PolarHBondContact ND2-O 3.44Å; N10-K181 VanDerWaalsContact ND2-O 3.11Å; N10-P182 PolarHBondContact ND2-O 3.08Å; N10-P182 VanDerWaalsContact ND2-O 3.08Å
11N95.9Very high91.4Very high83 Ų8355.1 Ų55.144%0.44430%0.304SS..THydrogen-bonded Turntrans-92.76.8173.270.2-5.5000113.3L9 A13 K157L9-N11 VanDerWaalsContact CB-OD1 3.3Å; L9-N11 WeakPolarHBondContact CB-OD1 3.47Å; L9-N11 PolarHBondContact O-N 2.95Å; L9-N11 VanDerWaalsContact O-N 3.12Å; N11-A13 VanDerWaalsContact C-N 3.33Å; N11-A13 PolarHBondContact O-N 2.59Å; N11-A13 VanDerWaalsContact OD1-CB 3.27Å; N11-A13 WeakPolarHBondContact OD1-CB 3.49Å; N11-A13 PolarHBondContact OD1-N 3.22Å; N11-A13 VanDerWaalsContact OD1-N 3.12Å; N11-K157 PolarHBondContact ND2-O 3.25Å
12G97.5Very high93.5Very high47 Ų4747 Ų4749%0.48526%0.263SS..SBendtrans86.9-10.9179.200000115.3L9L9-G12 PolarHBondContact O-N 2.78Å
13A97.2Very high95.2Very high36 Ų3642 Ų4230%0.29824%0.239SC..  trans-62.3146.5177.800000111.7L9 N11L9-A13 HydrophobicContact CB-CB 4.39Å; L9-A13 HydrophobicContact CD1-CB 4.18Å; L9-A13 HydrophobicContact CG-CB 4.44Å; L9-A13 PolarHBondContact N-O 2.93Å; N11-A13 VanDerWaalsContact C-N 3.33Å; N11-A13 PolarHBondContact O-N 2.59Å; N11-A13 VanDerWaalsContact OD1-CB 3.27Å; N11-A13 WeakPolarHBondContact OD1-CB 3.49Å; N11-A13 PolarHBondContact OD1-N 3.22Å; N11-A13 VanDerWaalsContact OD1-N 3.12Å
14K97.9Very high95.9Very high132 Ų13238.9 Ų38.957%0.57422%0.217SC*.EExtended strand (participates in β ladder)trans-100.7107.6-179.5-60.8-63.9179.2176.80109.5A6 T8A6-K14 HydrophobicContact CB-CB 3.95Å; T8-K14 HydrophobicContact CG2-CD 4.3Å; T8-K14 PolarHBondContact OG1-NZ 3.28Å
15M98.4Very high95.8Very high0 Ų038.2 Ų38.20%022%0.216CC..EExtended strand (participates in β ladder)trans-92.8118.9174.2-179.6174.567.800109.2A6 V7 L9 I17 F76 L109 A261A6-M15 CarbonylContact C-O 3.6Å; A6-M15 WeakPolarHBondContact CA-O 3.49Å; A6-M15 VanDerWaalsContact CB-O 3.28Å; A6-M15 WeakPolarHBondContact CB-O 3.09Å; V7-M15 HydrophobicContact CG2-CB 3.9Å; V7-M15 HydrophobicContact CG2-CE 3.32Å; V7-M15 HydrophobicContact CG2-CG 4.43Å; V7-M15 PolarHBondContact N-O 3.26Å; V7-M15 PolarHBondContact O-N 2.76Å; L9-M15 HydrophobicContact CD2-CB 4.22Å; L9-M15 HydrophobicContact CD2-CE 4.27Å; L9-M15 HydrophobicContact CG-CB 4.38Å; M15-I17 PolarHBondContact O-N 3.35Å; M15-F76 HydrophobicContact CB-CD1 4.42Å; M15-F76 HydrophobicContact CB-CD2 4.11Å; M15-F76 HydrophobicContact CB-CE1 4.09Å; M15-F76 HydrophobicContact CB-CE2 3.75Å; M15-F76 HydrophobicContact CB-CG 4.44Å; M15-F76 HydrophobicContact CB-CZ 3.76Å; M15-F76 HydrophobicContact CG-CD1 3.7Å; M15-F76 HydrophobicContact CG-CD2 4.24Å; M15-F76 HydrophobicContact CG-CE1 3.51Å; M15-F76 HydrophobicContact CG-CE2 4.09Å; M15-F76 HydrophobicContact CG-CG 4.08Å; M15-F76 HydrophobicContact CG-CZ 3.74Å; M15-F76 HydrophobicContact SD-CD1 4.18Å; M15-F76 HydrophobicContact SD-CE1 3.54Å; M15-F76 VanDerWaalsContact SD-CE1 3.54Å; M15-F76 HydrophobicContact SD-CZ 3.92Å; M15-L109 HydrophobicContact SD-CD2 4.04Å; M15-A261 HydrophobicContact CE-CB 3.72Å
16P98.3Very high95.4Very high15 Ų1541.5 Ų41.510%0.09723%0.226CC..EExtended strand (participates in β ladder)trans-55.4131.4177.5-22.131.1000111.3I4 V18 R43 H44 F76I4-P16 HydrophobicContact CD1-CB 3.82Å; I4-P16 HydrophobicContact CG1-CB 4.45Å; P16-V18 PolarHBondContact O-N 3.24Å; P16-V18 VanDerWaalsContact O-N 3.13Å; P16-R43 HydrophobicContact CB-CB 4.48Å; P16-R43 HydrophobicContact CG-CB 3.85Å; P16-H44 HydrophobicContact CB-CB 3.83Å; P16-H44 HydrophobicContact CG-CB 3.99Å; P16-H44 PolarHBondContact O-ND1 3.31Å; P16-F76 HydrophobicContact CG-CB 4.21Å
17I98.1Very high94.8Very high6 Ų645.5 Ų45.53%0.03125%0.249CC..SBendtrans-70.3-13.2-170.3-158.1167.1000112.8P5 V7 M15 T256 A261 V262 F279P5-I17 HydrophobicContact CB-CG2 4.08Å; P5-I17 WeakPolarHBondContact O-CB 3.29Å; P5-I17 VanDerWaalsContact O-CG2 3.29Å; P5-I17 WeakPolarHBondContact O-CG2 3.47Å; P5-I17 PolarHBondContact O-N 3.21Å; V7-I17 HydrophobicContact CG1-CD1 3.95Å; V7-I17 HydrophobicContact CG1-CG1 3.9Å; M15-I17 PolarHBondContact O-N 3.35Å; I17-T256 HydrophobicContact CD1-CG2 4.37Å; I17-T256 WeakPolarHBondContact CD1-O 3.43Å; I17-T256 HydrophobicContact CG1-CG2 4.18Å; I17-T256 HydrophobicContact CG2-CG2 4.03Å; I17-A261 HydrophobicContact CG1-CB 4.4Å; I17-A261 CarbonylContact O-C 3.38Å; I17-A261 VanDerWaalsContact O-CA 3.23Å; I17-A261 WeakPolarHBondContact O-CA 3.47Å; I17-V262 PolarHBondContact O-N 3.12Å; I17-F279 HydrophobicContact CG2-CE1 4.24Å; I17-F279 HydrophobicContact CG2-CZ 3.76Å
18V98.3Very high94.4Very high0 Ų047.9 Ų47.90%027%0.273CS..EExtended strand (participates in β ladder)trans-123.3123178.1-170.90000108.7P16 Y42 M252 T256 V262 F276 L278 F279P16-V18 PolarHBondContact O-N 3.24Å; P16-V18 VanDerWaalsContact O-N 3.13Å; V18-Y42 HydrophobicContact CG1-CD1 4.39Å; V18-Y42 HydrophobicContact CG1-CE1 3.67Å; V18-M252 HydrophobicContact CG1-CE 3.77Å; V18-T256 HydrophobicContact CG2-CG2 4.08Å; V18-V262 WeakPolarHBondContact CA-O 3.44Å; V18-V262 HydrophobicContact CG1-CG1 4.37Å; V18-V262 HydrophobicContact CG2-CG1 4.24Å; V18-F276 HydrophobicContact CG1-CD2 4.49Å; V18-L278 HydrophobicContact CG1-CD1 4.26Å; V18-L278 HydrophobicContact CG2-CD1 3.88Å; V18-F279 HydrophobicContact CG2-CE2 3.9Å; V18-F279 HydrophobicContact CG2-CZ 3.61Å
19G98.3Very high94.2Very high0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-126161.4176.400000113.5H44 V262 I263 A264G19-H44 CarbonylContact C-O 3.6Å; G19-H44 WeakPolarHBondContact CA-O 3.39Å; G19-V262 PolarHBondContact N-O 3.05Å; G19-I263 WeakPolarHBondContact O-CA 3.36Å; G19-A264 PolarHBondContact O-N 3.08Å
20L98.5Very high94.1Very high2 Ų249.5 Ų49.51%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-89.9121.2170.2179.474.7000108.9V34 A37 Y42 H44 I45 D46 I272L20-V34 HydrophobicContact CD2-CG2 4.09Å; L20-A37 HydrophobicContact CB-CB 4.19Å; L20-A37 HydrophobicContact CD1-CB 4.45Å; L20-A37 HydrophobicContact CD2-CB 3.77Å; L20-A37 HydrophobicContact CG-CB 4.35Å; L20-Y42 HydrophobicContact CB-CD1 4.3Å; L20-H44 PolarHBondContact N-O 2.88Å; L20-I45 HydrophobicContact CB-CD1 3.95Å; L20-I45 HydrophobicContact CD2-CD1 4.28Å; L20-D46 PolarHBondContact O-N 3.13Å; L20-I272 HydrophobicContact CD1-CG1 4.36Å
21G97.6Very high94.1Very high8 Ų847.3 Ų47.38%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-82.6140.3167.400000111.3A264 K265G21-A264 PolarHBondContact N-O 2.93Å; G21-A264 VanDerWaalsContact N-O 3.13Å; G21-K265 VanDerWaalsContact O-CA 3.28Å; G21-K265 WeakPolarHBondContact O-CA 3.31Å; G21-K265 WeakPolarHBondContact O-CB 3.37Å; G21-K265 VanDerWaalsContact O-CG 3.31Å; G21-K265 WeakPolarHBondContact O-CG 3.1Å
22T96.3Very high94.2Very high6 Ų648 Ų484%0.03726%0.264CS..  trans-108.91.9-174.666.40000114.6R24 V30 I45 D46 G47 N53 V57T22-R24 PolarHBondContact O-N 2.73Å; T22-V30 HydrophobicContact CG2-CG1 4.26Å; T22-I45 HydrophobicContact CG2-CG2 3.91Å; T22-D46 WeakPolarHBondContact CG2-O 3.3Å; T22-D46 PolarHBondContact N-O 2.98Å; T22-D46 PolarHBondContact OG1-O 3.5Å; T22-D46 VanDerWaalsContact OG1-O 3.09Å; T22-G47 WeakPolarHBondContact OG1-CA 3.44Å; T22-N53 PolarHBondContact O-ND2 3.46Å; T22-V57 HydrophobicContact CG2-CG2 3.79Å
23W92.2Very high94.2Very high82 Ų8246 Ų4631%0.31124%0.244SC..THydrogen-bonded Turntrans-60.9131.2-178.5-179.263.5000113A25 Y51 R220 P221 W222 K265W23-A25 VanDerWaalsContact C-N 3.32Å; W23-A25 PolarHBondContact O-N 2.92Å; W23-Y51 HydrophobicContact CB-CD1 4.23Å; W23-Y51 HydrophobicContact CB-CD2 4.03Å; W23-Y51 HydrophobicContact CB-CE1 4.1Å; W23-Y51 HydrophobicContact CB-CE2 3.92Å; W23-Y51 HydrophobicContact CB-CG 4.2Å; W23-Y51 AromaticContact CD1-CD1 3.3Å; W23-Y51 AromaticContact CD1-CE1 3.54Å; W23-Y51 AromaticContact CD1-CG 3.85Å; W23-Y51 HydrophobicContact CG-CD1 4.1Å; W23-Y51 HydrophobicContact CG-CE1 4.06Å; W23-Y51 HydrophobicContact CG-CG 4.45Å; W23-R220 HydrophobicContact CH2-CB 4.13Å; W23-R220 HydrophobicContact CZ3-CB 4.47Å; W23-P221 VanDerWaalsContact CH2-CD 3.42Å; W23-P221 HydrophobicContact CH2-CG 4.3Å; W23-P221 HydrophobicContact CZ2-CG 4.29Å; W23-W222 HydrophobicContact CH2-CH2 4.29Å; W23-W222 HydrophobicContact CZ2-CH2 4.34Å; W23-K265 WeakPolarHBondContact O-CD 3.36Å; W23-K265 WeakPolarHBondContact O-CE 3.38Å; W23-K265 WeakPolarHBondContact O-CG 3.36Å
24R82.8Confident94.3Very high120 Ų12044.3 Ų44.345%0.45323%0.229SC..THydrogen-bonded Turntrans58.138.9167.1-156.1-173.9-169.3-142.40.3113.9T22 D219 K265T22-R24 PolarHBondContact O-N 2.73Å; R24-D219 PolarHBondContact NH1-O 3.27Å; R24-K265 WeakPolarHBondContact O-CE 3.47Å; R24-K265 PolarHBondContact O-NZ 2.68Å
25A82.1Confident94.3Very high19 Ų1940.2 Ų40.216%0.15721%0.211CC..PPolyproline II helixtrans-73.815315500000108.9W23 K29 V30 A267W23-A25 VanDerWaalsContact C-N 3.32Å; W23-A25 PolarHBondContact O-N 2.92Å; A25-K29 HydrophobicContact CB-CB 4.35Å; A25-V30 HydrophobicContact CB-CG2 3.51Å; A25-A267 HydrophobicContact CB-CB 4.23Å
26E86Confident94.3Very high135 Ų13541.5 Ų41.563%0.63122%0.22SC*.PPolyproline II helixtrans-62.2148.6171.9-64.3169.8177.500110G28 K29E26-G28 PolarHBondContact O-N 3.25Å; E26-K29 HydrophobicContact CB-CG 3.81Å; E26-K29 VanDerWaalsContact O-CB 3.31Å; E26-K29 WeakPolarHBondContact O-CB 3.16Å; E26-K29 PolarHBondContact O-N 3Å
27P85.3Confident94.3Very high123 Ų12340.8 Ų40.880%0.79922%0.215SC*.THydrogen-bonded Turntrans-50.1134.1174.2-27.535.2000112K29P27-K29 VanDerWaalsContact C-N 3.3Å; P27-K29 PolarHBondContact O-N 2.93Å
28G88.4Confident94.3Very high51 Ų5140.6 Ų40.653%0.52621%0.214SC..THydrogen-bonded Turntrans793.3-178.600000115.3E26 E56E26-G28 PolarHBondContact O-N 3.25Å; G28-E56 VanDerWaalsContact CA-OE2 3.3Å; G28-E56 WeakPolarHBondContact CA-OE2 3.3Å; G28-E56 VanDerWaalsContact N-CD 3.3Å; G28-E56 PolarHBondContact N-OE1 3.47Å; G28-E56 PolarHBondContact N-OE2 2.72Å; G28-E56 VanDerWaalsContact N-OE2 3.15Å
29K93.6Very high94.3Very high104 Ų10444.3 Ų44.345%0.45224%0.24SC..SBendtrans-98.6-19.4176.2-58.5-61.3-175.4-177.30113.5A25 E26 P27 A33 E56 A267A25-K29 HydrophobicContact CB-CB 4.35Å; E26-K29 HydrophobicContact CB-CG 3.81Å; E26-K29 VanDerWaalsContact O-CB 3.31Å; E26-K29 WeakPolarHBondContact O-CB 3.16Å; E26-K29 PolarHBondContact O-N 3Å; P27-K29 VanDerWaalsContact C-N 3.3Å; P27-K29 PolarHBondContact O-N 2.93Å; K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.17Å; K29-A33 VanDerWaalsContact O-N 3.08Å; K29-E56 PolarHBondContact N-OE2 3.23Å; K29-A267 HydrophobicContact CB-CB 4.25Å
30V96.3Very high94.2Very high3 Ų345.8 Ų45.82%0.01825%0.25CS..Hα-helixtrans-71-42.9-172.3-179.70000110.6T22 A25 E32 A33 V34 N53 E56 V57T22-V30 HydrophobicContact CG2-CG1 4.26Å; A25-V30 HydrophobicContact CB-CG2 3.51Å; V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 2.9Å; V30-A33 PolarHBondContact O-N 3.09Å; V30-A33 VanDerWaalsContact O-N 3.13Å; V30-V34 HydrophobicContact CG1-CG2 4.16Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 3.2Å; V30-N53 HydrophobicContact CG2-CB 4.05Å; V30-E56 HydrophobicContact CB-CB 3.69Å; V30-E56 VanDerWaalsContact CB-OE2 3.32Å; V30-E56 WeakPolarHBondContact CB-OE2 3.44Å; V30-E56 HydrophobicContact CG1-CB 4.15Å; V30-E56 PolarHBondContact N-OE2 3Å; V30-V57 HydrophobicContact CG1-CG2 3.52Å
31T97.8Very high94.1Very high22 Ų2246 Ų4614%0.13525%0.252CS..Hα-helixtrans-52.4-51178.1-58.30000111.4V34 K35 E56 E59T31-V34 PolarHBondContact O-N 3.44Å; T31-K35 HydrophobicContact CG2-CD 4.26Å; T31-K35 WeakPolarHBondContact O-CG 3.28Å; T31-K35 PolarHBondContact O-N 3.18Å; T31-K35 VanDerWaalsContact O-N 3.09Å; T31-E56 WeakPolarHBondContact OG1-CA 3.3Å; T31-E56 WeakPolarHBondContact OG1-CB 3.49Å; T31-E56 PolarHBondContact OG1-O 2.98Å; T31-E56 VanDerWaalsContact OG1-O 3.14Å; T31-E59 HydrophobicContact CG2-CB 4.02Å
32E97.8Very high94.2Very high96 Ų9645.6 Ų45.645%0.44925%0.249SC..Hα-helixtrans-70-36.5179-68.4-53.5132.100112.7V30 V34 K35 V36V30-E32 VanDerWaalsContact C-N 3.34Å; V30-E32 PolarHBondContact O-N 2.9Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.45Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-K35 IonicContact OE1-NZ 3.29Å; E32-K35 PolarHBondContact OE1-NZ 3.5Å; E32-K35 IonicContact OE2-NZ 2.57Å; E32-K35 PolarHBondContact OE2-NZ 3.12Å; E32-V36 WeakPolarHBondContact O-CB 3.44Å; E32-V36 VanDerWaalsContact O-CG2 3.28Å; E32-V36 WeakPolarHBondContact O-CG2 3.19Å; E32-V36 PolarHBondContact O-N 3.04Å
33A97.9Very high94.3Very high7 Ų747.3 Ų47.36%0.05826%0.255CS..Hα-helixtrans-60.4-43.4175.300000111.8K29 V30 V36 A37 I272K29-A33 WeakPolarHBondContact O-CB 3.27Å; K29-A33 PolarHBondContact O-N 3.17Å; K29-A33 VanDerWaalsContact O-N 3.08Å; V30-A33 PolarHBondContact O-N 3.09Å; V30-A33 VanDerWaalsContact O-N 3.13Å; A33-V36 PolarHBondContact O-N 3.49Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.42Å; A33-I272 HydrophobicContact CB-CD1 3.94Å
34V98.4Very high94.6Very high0 Ų043.4 Ų43.40%024%0.24CC..Hα-helixtrans-63.2-46.9176.1170.10000111L20 V30 T31 E32 V36 A37 I38 I45 V57 V61L20-V34 HydrophobicContact CD2-CG2 4.09Å; V30-V34 HydrophobicContact CG1-CG2 4.16Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 3.2Å; T31-V34 PolarHBondContact O-N 3.44Å; E32-V34 VanDerWaalsContact C-N 3.33Å; E32-V34 PolarHBondContact O-N 3.45Å; V34-V36 PolarHBondContact O-N 3.28Å; V34-A37 PolarHBondContact O-N 2.71Å; V34-I38 HydrophobicContact CG1-CD1 3.77Å; V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.16Å; V34-I38 PolarHBondContact O-N 3.3Å; V34-I45 HydrophobicContact CG1-CD1 4.44Å; V34-I45 HydrophobicContact CG2-CG2 4.34Å; V34-V57 HydrophobicContact CG2-CG1 4.44Å; V34-V61 HydrophobicContact CG1-CG2 4Å
35K98.6Very high95.3Very high45 Ų4537.8 Ų37.820%0.19622%0.218CC..Hα-helixtrans-58.4-46176.7-71.3167.660.8-1650112.1T31 E32 I38 S39 A63 M64T31-K35 HydrophobicContact CG2-CD 4.26Å; T31-K35 WeakPolarHBondContact O-CG 3.28Å; T31-K35 PolarHBondContact O-N 3.18Å; T31-K35 VanDerWaalsContact O-N 3.09Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-K35 IonicContact OE1-NZ 3.29Å; E32-K35 PolarHBondContact OE1-NZ 3.5Å; E32-K35 IonicContact OE2-NZ 2.57Å; E32-K35 PolarHBondContact OE2-NZ 3.12Å; K35-I38 PolarHBondContact O-N 2.91Å; K35-S39 VanDerWaalsContact O-CB 3.31Å; K35-S39 WeakPolarHBondContact O-CB 3.3Å; K35-S39 PolarHBondContact O-N 3.24Å; K35-S39 PolarHBondContact O-OG 2.87Å; K35-A63 HydrophobicContact CD-CB 4.43Å; K35-M64 HydrophobicContact CB-CG 4.28Å; K35-M64 HydrophobicContact CB-SD 3.77Å; K35-M64 HydrophobicContact CG-CG 3.96Å; K35-M64 HydrophobicContact CG-SD 3.76Å
36V98.3Very high96.1Very high28 Ų2837 Ų3717%0.1721%0.212CC..Hα-helixtrans-62.6-43.7176.9172.10000110.9E32 A33 V34 S39 S40 P269 I272E32-V36 WeakPolarHBondContact O-CB 3.44Å; E32-V36 VanDerWaalsContact O-CG2 3.28Å; E32-V36 WeakPolarHBondContact O-CG2 3.19Å; E32-V36 PolarHBondContact O-N 3.04Å; A33-V36 PolarHBondContact O-N 3.49Å; V34-V36 PolarHBondContact O-N 3.28Å; V36-S39 PolarHBondContact O-N 2.85Å; V36-S40 WeakPolarHBondContact O-CB 3.29Å; V36-S40 PolarHBondContact O-N 2.8Å; V36-S40 PolarHBondContact O-OG 3.46Å; V36-P269 HydrophobicContact CG1-CB 4.08Å; V36-P269 HydrophobicContact CG2-CB 4.3Å; V36-P269 HydrophobicContact CG2-CG 4.4Å; V36-I272 HydrophobicContact CB-CD1 4.31Å; V36-I272 HydrophobicContact CG1-CB 4.16Å; V36-I272 HydrophobicContact CG1-CD1 4.19Å; V36-I272 HydrophobicContact CG1-CG2 4.01Å
37A98.3Very high96.7Very high0 Ų030.8 Ų30.80%018%0.183CC..Hα-helixtrans-61.6-50.1178.500000111.5L20 A33 V34 S39 S40 G41 Y42 I272L20-A37 HydrophobicContact CB-CB 4.19Å; L20-A37 HydrophobicContact CD1-CB 4.45Å; L20-A37 HydrophobicContact CD2-CB 3.77Å; L20-A37 HydrophobicContact CG-CB 4.35Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.42Å; V34-A37 PolarHBondContact O-N 2.71Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 3.5Å; A37-S40 CarbonylContact O-C 3.57Å; A37-S40 WeakPolarHBondContact O-CA 3.18Å; A37-S40 WeakPolarHBondContact O-CB 3.46Å; A37-S40 PolarHBondContact O-N 2.9Å; A37-G41 PolarHBondContact O-N 3.12Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A37-Y42 HydrophobicContact CB-CD2 3.78Å; A37-Y42 HydrophobicContact CB-CE2 4.44Å; A37-Y42 HydrophobicContact CB-CG 3.91Å; A37-Y42 WeakPolarHBondContact O-CB 3.49Å; A37-Y42 WeakPolarHBondContact O-CD2 3.47Å; A37-Y42 PolarHBondContact O-N 2.93Å; A37-I272 HydrophobicContact CB-CG2 3.8Å
38I98.3Very high97.3Very high1 Ų124.9 Ų24.91%0.00515%0.145CC..Hα-helixtrans-60.1-43.5179.2-67.7171000110.9V34 K35 S40 G41 R43 I45 V61 M64 V69 V70 L75V34-I38 HydrophobicContact CG1-CD1 3.77Å; V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.16Å; V34-I38 PolarHBondContact O-N 3.3Å; K35-I38 PolarHBondContact O-N 2.91Å; I38-S40 PolarHBondContact O-N 3.12Å; I38-G41 PolarHBondContact O-N 2.73Å; I38-G41 VanDerWaalsContact O-N 3.11Å; I38-R43 PolarHBondContact O-NH1 3.46Å; I38-I45 HydrophobicContact CG1-CD1 4.5Å; I38-V61 HydrophobicContact CD1-CG2 4.46Å; I38-M64 HydrophobicContact CB-CB 4.45Å; I38-M64 HydrophobicContact CB-CE 4.08Å; I38-M64 HydrophobicContact CB-CG 4.03Å; I38-M64 HydrophobicContact CD1-CB 3.95Å; I38-M64 HydrophobicContact CD1-CG 3.82Å; I38-M64 HydrophobicContact CG2-CB 3.95Å; I38-M64 HydrophobicContact CG2-CE 3.76Å; I38-M64 HydrophobicContact CG2-CG 4.03Å; I38-V69 HydrophobicContact CG2-CG1 4.32Å; I38-V70 HydrophobicContact CG2-CB 4.41Å; I38-V70 HydrophobicContact CG2-CG1 3.66Å; I38-V70 HydrophobicContact CG2-CG2 3.8Å; I38-L75 HydrophobicContact CD1-CD1 4.19Å; I38-L75 HydrophobicContact CD1-CD2 4.18Å; I38-L75 HydrophobicContact CG1-CD2 4.18Å
39S97.7Very high97.8Very high79 Ų7924.4 Ų24.455%0.55213%0.129SC*.Hα-helixtrans-62.3-31175.5-57.90000112.8K35 V36 A37 G41 M64K35-S39 VanDerWaalsContact O-CB 3.31Å; K35-S39 WeakPolarHBondContact O-CB 3.3Å; K35-S39 PolarHBondContact O-N 3.24Å; K35-S39 PolarHBondContact O-OG 2.87Å; V36-S39 PolarHBondContact O-N 2.85Å; A37-S39 VanDerWaalsContact C-N 3.31Å; A37-S39 PolarHBondContact O-N 3.5Å; S39-G41 VanDerWaalsContact C-N 3.29Å; S39-M64 WeakPolarHBondContact OG-CE 3.33Å
40S96.6Very high97.9Very high30 Ų3020.3 Ų20.321%0.2111%0.113CC..Hα-helixtrans-80.8-10.7178.7-54.90000112.9V36 A37 I38 K273 F276V36-S40 WeakPolarHBondContact O-CB 3.29Å; V36-S40 PolarHBondContact O-N 2.8Å; V36-S40 PolarHBondContact O-OG 3.46Å; A37-S40 CarbonylContact O-C 3.57Å; A37-S40 WeakPolarHBondContact O-CA 3.18Å; A37-S40 WeakPolarHBondContact O-CB 3.46Å; A37-S40 PolarHBondContact O-N 2.9Å; I38-S40 PolarHBondContact O-N 3.12Å; S40-K273 VanDerWaalsContact OG-CG 3.29Å; S40-K273 WeakPolarHBondContact OG-CG 3.49Å; S40-F276 WeakPolarHBondContact O-CD1 3.49Å; S40-F276 VanDerWaalsContact O-CE1 3.24Å; S40-F276 WeakPolarHBondContact O-CE1 3.3Å
41G96.7Very high97.9Very high6 Ų622.2 Ų22.26%0.06212%0.12CC..THydrogen-bonded Turntrans113.7-2.5177.400000114.8A37 I38 S39 R43 F276A37-G41 PolarHBondContact O-N 3.12Å; A37-G41 VanDerWaalsContact O-N 3.15Å; I38-G41 PolarHBondContact O-N 2.73Å; I38-G41 VanDerWaalsContact O-N 3.11Å; S39-G41 VanDerWaalsContact C-N 3.29Å; G41-R43 PolarHBondContact O-N 2.87Å; G41-F276 WeakPolarHBondContact O-CZ 3.4Å
42Y98.2Very high97.9Very high1 Ų128.8 Ų28.80%0.00415%0.149CC..  trans-59.9139.4173.4-74.2-103.5000110.2V18 L20 A37 I272 N275 F276V18-Y42 HydrophobicContact CG1-CD1 4.39Å; V18-Y42 HydrophobicContact CG1-CE1 3.67Å; L20-Y42 HydrophobicContact CB-CD1 4.3Å; A37-Y42 HydrophobicContact CB-CD2 3.78Å; A37-Y42 HydrophobicContact CB-CE2 4.44Å; A37-Y42 HydrophobicContact CB-CG 3.91Å; A37-Y42 WeakPolarHBondContact O-CB 3.49Å; A37-Y42 WeakPolarHBondContact O-CD2 3.47Å; A37-Y42 PolarHBondContact O-N 2.93Å; Y42-I272 HydrophobicContact CD2-CG2 4.45Å; Y42-I272 HydrophobicContact CE2-CG2 3.96Å; Y42-I272 WeakPolarHBondContact CE2-O 3.45Å; Y42-I272 PolarHBondContact OH-O 2.99Å; Y42-N275 WeakPolarHBondContact OH-CB 3.48Å; Y42-F276 HydrophobicContact CD1-CD2 4.15Å; Y42-F276 HydrophobicContact CD1-CE2 4.39Å; Y42-F276 HydrophobicContact CD2-CB 4.34Å; Y42-F276 AromaticContact CD2-CD2 3.48Å; Y42-F276 HydrophobicContact CD2-CD2 3.48Å; Y42-F276 VanDerWaalsContact CD2-CD2 3.48Å; Y42-F276 AromaticContact CD2-CE2 4Å; Y42-F276 HydrophobicContact CD2-CE2 4Å; Y42-F276 HydrophobicContact CD2-CG 4.05Å; Y42-F276 HydrophobicContact CE1-CD2 4.06Å; Y42-F276 HydrophobicContact CE2-CB 3.6Å; Y42-F276 AromaticContact CE2-CD2 3.39Å; Y42-F276 HydrophobicContact CE2-CD2 3.39Å; Y42-F276 HydrophobicContact CE2-CE2 4.33Å; Y42-F276 AromaticContact CE2-CG 3.77Å; Y42-F276 HydrophobicContact CE2-CG 3.77Å; Y42-F276 AromaticContact CG-CD2 3.87Å; Y42-F276 HydrophobicContact CG-CD2 3.87Å; Y42-F276 HydrophobicContact CG-CE2 4.03Å; Y42-F276 AromaticContact CZ-CD2 3.67Å; Y42-F276 PolarHBondContact OH-N 3.01Å
43R98.3Very high97.8Very high42 Ų4224.8 Ų24.816%0.15813%0.13CC..  trans-1273.9173.3-66-59.7178.8-956.2112.3P16 I38 G41 V70 D74 L75 F76P16-R43 HydrophobicContact CB-CB 4.48Å; P16-R43 HydrophobicContact CG-CB 3.85Å; I38-R43 PolarHBondContact O-NH1 3.46Å; G41-R43 PolarHBondContact O-N 2.87Å; R43-V70 VanDerWaalsContact NH2-CG1 3.33Å; R43-D74 WeakPolarHBondContact CB-O 3.48Å; R43-D74 VanDerWaalsContact CD-O 3.3Å; R43-D74 WeakPolarHBondContact CD-O 3.39Å; R43-L75 CarbonylContact O-C 3.55Å; R43-L75 WeakPolarHBondContact O-CA 3.3Å; R43-F76 WeakPolarHBondContact O-CB 3.18Å; R43-F76 PolarHBondContact O-N 3.38Å
44H98.7Very high97.8Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-124.3122.7178.3172.8-173.9000108.6P16 G19 L20 F76 V78P16-H44 HydrophobicContact CB-CB 3.83Å; P16-H44 HydrophobicContact CG-CB 3.99Å; P16-H44 PolarHBondContact O-ND1 3.31Å; G19-H44 CarbonylContact C-O 3.6Å; G19-H44 WeakPolarHBondContact CA-O 3.39Å; L20-H44 PolarHBondContact N-O 2.88Å; H44-F76 VanDerWaalsContact CA-O 3.28Å; H44-F76 WeakPolarHBondContact CA-O 3.5Å; H44-F76 HydrophobicContact CB-CB 4.37Å; H44-V78 WeakPolarHBondContact NE2-CG2 3.31Å
45I98.8Very high97.8Very high1 Ų126.1 Ų26.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-120.8124.3176.2-50.3-63.5000108.2L20 T22 V34 I38 V57 F76 I77 V78L20-I45 HydrophobicContact CB-CD1 3.95Å; L20-I45 HydrophobicContact CD2-CD1 4.28Å; T22-I45 HydrophobicContact CG2-CG2 3.91Å; V34-I45 HydrophobicContact CG1-CD1 4.44Å; V34-I45 HydrophobicContact CG2-CG2 4.34Å; I38-I45 HydrophobicContact CG1-CD1 4.5Å; I45-V57 HydrophobicContact CG2-CG1 3.88Å; I45-F76 PolarHBondContact N-O 3.5Å; I45-I77 HydrophobicContact CB-CD1 3.86Å; I45-I77 HydrophobicContact CG1-CD1 3.95Å; I45-V78 PolarHBondContact O-N 3.18Å
46D98.8Very high97.8Very high4 Ų425.7 Ų25.72%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-104.8115177.1176.6-90.9000110.3L20 T22 K80 Q186 I263L20-D46 PolarHBondContact O-N 3.13Å; T22-D46 WeakPolarHBondContact CG2-O 3.3Å; T22-D46 PolarHBondContact N-O 2.98Å; T22-D46 PolarHBondContact OG1-O 3.5Å; T22-D46 VanDerWaalsContact OG1-O 3.09Å; D46-K80 IonicContact OD1-NZ 2.71Å; D46-K80 PolarHBondContact OD1-NZ 3.11Å; D46-K80 WeakPolarHBondContact OD2-CE 3.41Å; D46-K80 IonicContact OD2-NZ 2.89Å; D46-K80 PolarHBondContact OD2-NZ 2.93Å; D46-Q186 PolarHBondContact OD2-NE2 3.16Å; D46-I263 HydrophobicContact CB-CB 4.28Å; D46-I263 HydrophobicContact CB-CD1 3.83Å; D46-I263 HydrophobicContact CB-CG2 3.86Å; D46-I263 WeakPolarHBondContact OD1-CD1 3.28Å
47G98.2Very high97.8Very high3 Ų324.5 Ų24.53%0.03114%0.135CC..  trans-120.9-178.1173.700000112T22 V78 K80T22-G47 WeakPolarHBondContact OG1-CA 3.44Å; G47-V78 PolarHBondContact N-O 3.01Å; G47-K80 PolarHBondContact O-NZ 3.17Å
48A98.3Very high97.8Very high0 Ų024.5 Ų24.50%014%0.135CC..  trans-162.6148170.100000109V50 Y51 K80A48-V50 HydrophobicContact CB-CG1 4.09Å; A48-V50 PolarHBondContact O-N 3Å; A48-Y51 HydrophobicContact CB-CD1 3.94Å; A48-Y51 HydrophobicContact CB-CD2 3.77Å; A48-Y51 HydrophobicContact CB-CE1 3.77Å; A48-Y51 HydrophobicContact CB-CE2 3.58Å; A48-Y51 HydrophobicContact CB-CG 3.94Å; A48-Y51 WeakPolarHBondContact O-CB 3.47Å; A48-Y51 PolarHBondContact O-N 3.49Å; A48-K80 HydrophobicContact CB-CB 3.98Å; A48-K80 HydrophobicContact CB-CD 3.88Å; A48-K80 HydrophobicContact CB-CG 3.84Å
49F97.8Very high97.8Very high40 Ų4028.2 Ų28.218%0.17515%0.152CC..G310 helixtrans-49.2-46.7173.4168.3-104.4000112.6Y51 E52 E54 W82 F85 K97F49-Y51 PolarHBondContact O-N 2.86Å; F49-E52 PolarHBondContact O-N 3.02Å; F49-E54 WeakPolarHBondContact CA-OE2 3.3Å; F49-W82 HydrophobicContact CD1-CB 3.98Å; F49-F85 AromaticContact CD1-CE2 3.88Å; F49-F85 HydrophobicContact CD1-CE2 3.88Å; F49-F85 AromaticContact CE1-CE2 3.53Å; F49-F85 HydrophobicContact CE1-CE2 3.53Å; F49-F85 HydrophobicContact CE1-CZ 4.14Å; F49-F85 HydrophobicContact CZ-CE2 4.17Å; F49-F85 HydrophobicContact CZ-CZ 4.35Å; F49-K97 HydrophobicContact CE2-CD 4.24Å
50V97.1Very high97.9Very high19 Ų1924.5 Ų24.512%0.11513%0.126CC..G310 helixtrans-66.3-9.7-176.769.20000114.7A48 W82 H113 I124A48-V50 HydrophobicContact CB-CG1 4.09Å; A48-V50 PolarHBondContact O-N 3Å; V50-W82 HydrophobicContact CB-CD2 3.77Å; V50-W82 HydrophobicContact CB-CE3 3.82Å; V50-W82 HydrophobicContact CB-CG 4.12Å; V50-W82 HydrophobicContact CB-CZ3 4.3Å; V50-W82 HydrophobicContact CG1-CD2 4.18Å; V50-W82 HydrophobicContact CG1-CE3 3.69Å; V50-W82 HydrophobicContact CG1-CZ3 3.88Å; V50-W82 HydrophobicContact CG2-CD2 3.84Å; V50-W82 HydrophobicContact CG2-CE3 4.07Å; V50-W82 HydrophobicContact CG2-CG 4.4Å; V50-W82 HydrophobicContact CG2-CH2 4.15Å; V50-W82 HydrophobicContact CG2-CZ2 3.94Å; V50-W82 HydrophobicContact CG2-CZ3 4.22Å; V50-H113 WeakPolarHBondContact CG1-CE1 3.21Å; V50-I124 HydrophobicContact CB-CG2 4.49Å; V50-I124 HydrophobicContact CG2-CD1 4.47Å; V50-I124 HydrophobicContact CG2-CG2 3.3Å
51Y96.3Very high98Very high42 Ų4223 Ų2317%0.16512%0.116CC..G310 helixtrans-81.3-8.1175.2-55.7-14.5000112.1W23 A48 F49 N53 K80W23-Y51 HydrophobicContact CB-CD1 4.23Å; W23-Y51 HydrophobicContact CB-CD2 4.03Å; W23-Y51 HydrophobicContact CB-CE1 4.1Å; W23-Y51 HydrophobicContact CB-CE2 3.92Å; W23-Y51 HydrophobicContact CB-CG 4.2Å; W23-Y51 AromaticContact CD1-CD1 3.3Å; W23-Y51 AromaticContact CD1-CE1 3.54Å; W23-Y51 AromaticContact CD1-CG 3.85Å; W23-Y51 HydrophobicContact CG-CD1 4.1Å; W23-Y51 HydrophobicContact CG-CE1 4.06Å; W23-Y51 HydrophobicContact CG-CG 4.45Å; A48-Y51 HydrophobicContact CB-CD1 3.94Å; A48-Y51 HydrophobicContact CB-CD2 3.77Å; A48-Y51 HydrophobicContact CB-CE1 3.77Å; A48-Y51 HydrophobicContact CB-CE2 3.58Å; A48-Y51 HydrophobicContact CB-CG 3.94Å; A48-Y51 WeakPolarHBondContact O-CB 3.47Å; A48-Y51 PolarHBondContact O-N 3.49Å; F49-Y51 PolarHBondContact O-N 2.86Å; Y51-N53 WeakPolarHBondContact CB-OD1 3.49Å; Y51-N53 PolarHBondContact O-N 3.26Å; Y51-N53 VanDerWaalsContact O-N 3.11Å; Y51-K80 PolarHBondContact OH-NZ 3.36Å
52E96.1Very high98.1Very high160 Ų16028 Ų2875%0.74813%0.133SC*.SBendtrans56.327.2176.6-59.1-176.795.100113.2F49 I124F49-E52 PolarHBondContact O-N 3.02Å; E52-I124 HydrophobicContact CG-CD1 3.72Å
53N97.1Very high98.1Very high12 Ų1229 Ų296%0.06414%0.141CC..  trans-136.812.9-175.467.615.9000114.3T22 V30 Y51 G55 E56 V57T22-N53 PolarHBondContact O-ND2 3.46Å; V30-N53 HydrophobicContact CG2-CB 4.05Å; Y51-N53 WeakPolarHBondContact CB-OD1 3.49Å; Y51-N53 PolarHBondContact O-N 3.26Å; Y51-N53 VanDerWaalsContact O-N 3.11Å; N53-G55 PolarHBondContact O-N 3.18Å; N53-E56 PolarHBondContact O-N 3.19Å; N53-E56 VanDerWaalsContact O-N 3.07Å; N53-V57 PolarHBondContact O-N 3.24Å; N53-V57 VanDerWaalsContact O-N 3.11Å
54E98.1Very high98.1Very high6 Ų627 Ų273%0.02813%0.134CC..Hα-helixtrans-58.2-32.5177.3-63.6-158.5117.300112.3F49 E56 V57 G58 S79 T98 D101 L102F49-E54 WeakPolarHBondContact CA-OE2 3.3Å; E54-E56 PolarHBondContact O-N 3.36Å; E54-V57 PolarHBondContact O-N 3.13Å; E54-G58 PolarHBondContact O-N 2.67Å; E54-S79 VanDerWaalsContact OE1-CB 3.31Å; E54-S79 WeakPolarHBondContact OE1-CB 3.41Å; E54-S79 PolarHBondContact OE1-OG 3.23Å; E54-T98 WeakPolarHBondContact OE1-CG2 3.39Å; E54-T98 WeakPolarHBondContact OE2-CA 3.4Å; E54-T98 WeakPolarHBondContact OE2-CB 3.38Å; E54-T98 PolarHBondContact OE2-OG1 3.15Å; E54-D101 HydrophobicContact CB-CB 4.03Å; E54-L102 HydrophobicContact CB-CD2 4.05Å; E54-L102 HydrophobicContact CB-CG 4.22Å; E54-L102 WeakPolarHBondContact O-CD2 3.39Å
55G98.2Very high98.1Very high29 Ų2929.6 Ų29.630%0.29915%0.147SC..Hα-helixtrans-55.8-47.8172.500000113.4N53 G58 E59 D101N53-G55 PolarHBondContact O-N 3.18Å; G55-G58 PolarHBondContact O-N 3.35Å; G55-E59 WeakPolarHBondContact O-CG 3.35Å; G55-E59 PolarHBondContact O-N 3.36Å; G55-D101 WeakPolarHBondContact CA-O 3.23Å
56E98.3Very high98.1Very high37 Ų3736.2 Ų36.217%0.17318%0.178CC..Hα-helixtrans-69.7-36.1177.9-69.4-172.9-140.200111.9G28 K29 V30 T31 N53 E54 G58 E59 G60G28-E56 VanDerWaalsContact CA-OE2 3.3Å; G28-E56 WeakPolarHBondContact CA-OE2 3.3Å; G28-E56 VanDerWaalsContact N-CD 3.3Å; G28-E56 PolarHBondContact N-OE1 3.47Å; G28-E56 PolarHBondContact N-OE2 2.72Å; G28-E56 VanDerWaalsContact N-OE2 3.15Å; K29-E56 PolarHBondContact N-OE2 3.23Å; V30-E56 HydrophobicContact CB-CB 3.69Å; V30-E56 VanDerWaalsContact CB-OE2 3.32Å; V30-E56 WeakPolarHBondContact CB-OE2 3.44Å; V30-E56 HydrophobicContact CG1-CB 4.15Å; V30-E56 PolarHBondContact N-OE2 3Å; T31-E56 WeakPolarHBondContact OG1-CA 3.3Å; T31-E56 WeakPolarHBondContact OG1-CB 3.49Å; T31-E56 PolarHBondContact OG1-O 2.98Å; T31-E56 VanDerWaalsContact OG1-O 3.14Å; N53-E56 PolarHBondContact O-N 3.19Å; N53-E56 VanDerWaalsContact O-N 3.07Å; E54-E56 PolarHBondContact O-N 3.36Å; E56-G58 VanDerWaalsContact C-N 3.34Å; E56-E59 PolarHBondContact O-N 2.94Å; E56-G60 PolarHBondContact O-N 3.35Å
57V98.5Very high98Very high2 Ų241.8 Ų41.81%0.01220%0.204CC..Hα-helixtrans-59.4-48.5173.1177.40000110.3T22 V30 V34 I45 N53 E54 E59 G60 V61 L102T22-V57 HydrophobicContact CG2-CG2 3.79Å; V30-V57 HydrophobicContact CG1-CG2 3.52Å; V34-V57 HydrophobicContact CG2-CG1 4.44Å; I45-V57 HydrophobicContact CG2-CG1 3.88Å; N53-V57 PolarHBondContact O-N 3.24Å; N53-V57 VanDerWaalsContact O-N 3.11Å; E54-V57 PolarHBondContact O-N 3.13Å; V57-E59 VanDerWaalsContact C-N 3.32Å; V57-E59 PolarHBondContact O-N 3.08Å; V57-G60 PolarHBondContact O-N 3.41Å; V57-V61 HydrophobicContact CG1-CG2 4.45Å; V57-V61 WeakPolarHBondContact O-CG2 3.33Å; V57-V61 PolarHBondContact O-N 3.27Å; V57-L102 HydrophobicContact CB-CD2 3.92Å; V57-L102 HydrophobicContact CG1-CD2 3.79Å
58G98.5Very high98Very high0 Ų044.7 Ų44.70%023%0.233CC..Hα-helixtrans-59.5-40.6177.300000112.9E54 G55 E56 V61 R62 L102E54-G58 PolarHBondContact O-N 2.67Å; G55-G58 PolarHBondContact O-N 3.35Å; E56-G58 VanDerWaalsContact C-N 3.34Å; G58-V61 PolarHBondContact O-N 3.16Å; G58-R62 VanDerWaalsContact O-CB 3.23Å; G58-R62 WeakPolarHBondContact O-CB 3.24Å; G58-R62 PolarHBondContact O-N 2.95Å; G58-L102 WeakPolarHBondContact CA-O 3.39Å
59E98.6Very high98Very high80 Ų8047.8 Ų47.837%0.37425%0.252SS..Hα-helixtrans-62.4-45.2174.6-74.9174179.100112.9T31 G55 E56 V57 A63 K103T31-E59 HydrophobicContact CG2-CB 4.02Å; G55-E59 WeakPolarHBondContact O-CG 3.35Å; G55-E59 PolarHBondContact O-N 3.36Å; E56-E59 PolarHBondContact O-N 2.94Å; V57-E59 VanDerWaalsContact C-N 3.32Å; V57-E59 PolarHBondContact O-N 3.08Å; E59-A63 VanDerWaalsContact O-CB 3.28Å; E59-A63 WeakPolarHBondContact O-CB 3.15Å; E59-A63 PolarHBondContact O-N 3.3Å; E59-K103 IonicContact OE1-NZ 3.96Å; E59-K103 PolarHBondContact OE1-NZ 3.48Å
60G98.4Very high98Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-63-45.7177.100000111.9E56 V57 M64E56-G60 PolarHBondContact O-N 3.35Å; V57-G60 PolarHBondContact O-N 3.41Å; G60-M64 VanDerWaalsContact O-CG 3.3Å; G60-M64 WeakPolarHBondContact O-CG 3.35Å; G60-M64 PolarHBondContact O-N 2.85Å
61V98.7Very high98.1Very high0 Ų051.3 Ų51.30%027%0.267CS..Hα-helixtrans-61.5-51.8177.51660000111.1V34 I38 V57 G58 A63 M64 I65 L75 I77 L104V34-V61 HydrophobicContact CG1-CG2 4Å; I38-V61 HydrophobicContact CD1-CG2 4.46Å; V57-V61 HydrophobicContact CG1-CG2 4.45Å; V57-V61 WeakPolarHBondContact O-CG2 3.33Å; V57-V61 PolarHBondContact O-N 3.27Å; G58-V61 PolarHBondContact O-N 3.16Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 3.14Å; V61-M64 PolarHBondContact O-N 3.46Å; V61-I65 HydrophobicContact CG1-CD1 3.77Å; V61-I65 PolarHBondContact O-N 3.23Å; V61-I65 VanDerWaalsContact O-N 3.09Å; V61-L75 HydrophobicContact CG1-CD1 3.69Å; V61-L75 HydrophobicContact CG2-CD1 4.35Å; V61-I77 HydrophobicContact CG2-CD1 3.94Å; V61-L104 HydrophobicContact CG1-CD2 4.26Å
62R98.5Very high98.2Very high110 Ų11050.8 Ų50.842%0.41526%0.264SS..Hα-helixtrans-59.5-44.8-179.2-175.5-179.766.7171.93.8111.6G58 M64 I65 E66G58-R62 VanDerWaalsContact O-CB 3.23Å; G58-R62 WeakPolarHBondContact O-CB 3.24Å; G58-R62 PolarHBondContact O-N 2.95Å; R62-M64 VanDerWaalsContact C-N 3.29Å; R62-M64 PolarHBondContact O-N 3.39Å; R62-I65 PolarHBondContact O-N 2.96Å; R62-I65 VanDerWaalsContact O-N 3.14Å; R62-E66 WeakPolarHBondContact CD-OE1 3.29Å; R62-E66 HydrophobicContact CG-CG 4.19Å; R62-E66 VanDerWaalsContact CG-OE1 3.31Å; R62-E66 WeakPolarHBondContact CG-OE1 3.49Å; R62-E66 IonicContact NE-OE1 2.63Å; R62-E66 WeakPolarHBondContact O-CG 3.22Å; R62-E66 PolarHBondContact O-N 3.15Å
63A98.6Very high98.3Very high21 Ų2149.1 Ų49.117%0.17426%0.257CS..Hα-helixtrans-58.9-40.5178.700000112.2K35 E59 V61 Q67K35-A63 HydrophobicContact CD-CB 4.43Å; E59-A63 VanDerWaalsContact O-CB 3.28Å; E59-A63 WeakPolarHBondContact O-CB 3.15Å; E59-A63 PolarHBondContact O-N 3.3Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-A63 PolarHBondContact O-N 3.14Å; A63-Q67 WeakPolarHBondContact O-CB 3.41Å; A63-Q67 WeakPolarHBondContact O-CG 3.32Å; A63-Q67 PolarHBondContact O-N 3.49Å
64M98.6Very high98.3Very high1 Ų152.2 Ų52.21%0.00527%0.273CS..Hα-helixtrans-72-29.6178.8-63.5-55.7-68.500113K35 I38 S39 G60 V61 R62 V69 V70K35-M64 HydrophobicContact CB-CG 4.28Å; K35-M64 HydrophobicContact CB-SD 3.77Å; K35-M64 HydrophobicContact CG-CG 3.96Å; K35-M64 HydrophobicContact CG-SD 3.76Å; I38-M64 HydrophobicContact CB-CB 4.45Å; I38-M64 HydrophobicContact CB-CE 4.08Å; I38-M64 HydrophobicContact CB-CG 4.03Å; I38-M64 HydrophobicContact CD1-CB 3.95Å; I38-M64 HydrophobicContact CD1-CG 3.82Å; I38-M64 HydrophobicContact CG2-CB 3.95Å; I38-M64 HydrophobicContact CG2-CE 3.76Å; I38-M64 HydrophobicContact CG2-CG 4.03Å; S39-M64 WeakPolarHBondContact OG-CE 3.33Å; G60-M64 VanDerWaalsContact O-CG 3.3Å; G60-M64 WeakPolarHBondContact O-CG 3.35Å; G60-M64 PolarHBondContact O-N 2.85Å; V61-M64 PolarHBondContact O-N 3.46Å; R62-M64 VanDerWaalsContact C-N 3.29Å; R62-M64 PolarHBondContact O-N 3.39Å; M64-V69 HydrophobicContact CE-CB 3.65Å; M64-V69 HydrophobicContact CE-CG1 3.52Å; M64-V69 HydrophobicContact CE-CG2 3.66Å; M64-V69 PolarHBondContact O-N 3Å; M64-V70 HydrophobicContact CB-CG2 4.07Å
65I98.5Very high98.3Very high55 Ų5552.1 Ų52.128%0.28227%0.273SS..Hα-helixtrans-70.8-48.8171.8-67.5160.8000110.7V61 R62 Q67 G68 V70 R72 L75V61-I65 HydrophobicContact CG1-CD1 3.77Å; V61-I65 PolarHBondContact O-N 3.23Å; V61-I65 VanDerWaalsContact O-N 3.09Å; R62-I65 PolarHBondContact O-N 2.96Å; R62-I65 VanDerWaalsContact O-N 3.14Å; I65-Q67 VanDerWaalsContact C-N 3.26Å; I65-Q67 PolarHBondContact O-N 2.94Å; I65-G68 WeakPolarHBondContact O-CA 3.35Å; I65-G68 PolarHBondContact O-N 2.96Å; I65-V70 WeakPolarHBondContact CA-O 3.39Å; I65-V70 HydrophobicContact CG1-CG2 4.24Å; I65-R72 HydrophobicContact CD1-CB 4.15Å; I65-L75 HydrophobicContact CD1-CD1 4.48Å
66E98.3Very high98.4Very high139 Ų13951.2 Ų51.265%0.6526%0.261SS*.Hα-helixtrans-61.5-34.2179.5-73171.617500112.2R62 G68R62-E66 WeakPolarHBondContact CD-OE1 3.29Å; R62-E66 HydrophobicContact CG-CG 4.19Å; R62-E66 VanDerWaalsContact CG-OE1 3.31Å; R62-E66 WeakPolarHBondContact CG-OE1 3.49Å; R62-E66 IonicContact NE-OE1 2.63Å; R62-E66 WeakPolarHBondContact O-CG 3.22Å; R62-E66 PolarHBondContact O-N 3.15Å; E66-G68 PolarHBondContact O-N 3.28Å
67Q98.1Very high98.4Very high121 Ų12149.6 Ų49.657%0.56525%0.253SS*.THydrogen-bonded Turntrans-74.3-6.3173.4-71.1169.827.400113.7A63 I65 V69A63-Q67 WeakPolarHBondContact O-CB 3.41Å; A63-Q67 WeakPolarHBondContact O-CG 3.32Å; A63-Q67 PolarHBondContact O-N 3.49Å; I65-Q67 VanDerWaalsContact C-N 3.26Å; I65-Q67 PolarHBondContact O-N 2.94Å; Q67-V69 VanDerWaalsContact C-N 3.3Å; Q67-V69 HydrophobicContact CB-CG2 4.04Å; Q67-V69 PolarHBondContact O-N 2.88Å
68G97.9Very high98.4Very high64 Ų6449.6 Ų49.666%0.6625%0.253SS*.THydrogen-bonded Turntrans72.717.6-179.500000114.6I65 E66I65-G68 WeakPolarHBondContact O-CA 3.35Å; I65-G68 PolarHBondContact O-N 2.96Å; E66-G68 PolarHBondContact O-N 3.28Å
69V98.1Very high98.4Very high65 Ų6549.6 Ų49.639%0.39425%0.253SS..SBendtrans-74.7-32.9179.7-178.90000111.4I38 M64 Q67I38-V69 HydrophobicContact CG2-CG1 4.32Å; M64-V69 HydrophobicContact CE-CB 3.65Å; M64-V69 HydrophobicContact CE-CG1 3.52Å; M64-V69 HydrophobicContact CE-CG2 3.66Å; M64-V69 PolarHBondContact O-N 3Å; Q67-V69 VanDerWaalsContact C-N 3.3Å; Q67-V69 HydrophobicContact CB-CG2 4.04Å; Q67-V69 PolarHBondContact O-N 2.88Å
70V98.2Very high98.4Very high7 Ų745.8 Ų45.84%0.04224%0.235CC..  trans-147.3158.7177.7-70.60000109.7I38 R43 M64 I65 D74 L75I38-V70 HydrophobicContact CG2-CB 4.41Å; I38-V70 HydrophobicContact CG2-CG1 3.66Å; I38-V70 HydrophobicContact CG2-CG2 3.8Å; R43-V70 VanDerWaalsContact NH2-CG1 3.33Å; M64-V70 HydrophobicContact CB-CG2 4.07Å; I65-V70 WeakPolarHBondContact CA-O 3.39Å; I65-V70 HydrophobicContact CG1-CG2 4.24Å; V70-D74 HydrophobicContact CB-CB 4.22Å; V70-D74 HydrophobicContact CG1-CB 4.49Å; V70-L75 HydrophobicContact CB-CD2 4.49Å; V70-L75 HydrophobicContact CG1-CD2 4.46Å; V70-L75 HydrophobicContact CG2-CD1 4.01Å; V70-L75 HydrophobicContact CG2-CD2 4.18Å; V70-L75 HydrophobicContact CG2-CG 4.15Å
71K98.4Very high98.5Very high127 Ų12745.8 Ų45.855%0.55224%0.235SC*.  trans-94.3166.8163.9-55-177.4-176.8177.90110.5E73 D74K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 HydrophobicContact CB-CG 4.23Å; K71-E73 WeakPolarHBondContact CB-OE2 3.19Å; K71-E73 WeakPolarHBondContact CD-OE1 3.46Å; K71-E73 PolarHBondContact O-N 2.96Å; K71-D74 PolarHBondContact N-OD2 3.39Å; K71-D74 WeakPolarHBondContact O-CB 3.46Å; K71-D74 PolarHBondContact O-N 3.42Å; K71-D74 VanDerWaalsContact O-N 3.16Å
72R98.4Very high98.5Very high31 Ų3146.2 Ų46.212%0.11724%0.237CC..G310 helixtrans-60.2-41.6177.4173.156.8-170.293.2-5.4111.2I65 D74 L75 Y106 D108I65-R72 HydrophobicContact CD1-CB 4.15Å; R72-D74 PolarHBondContact O-N 3.16Å; R72-L75 PolarHBondContact NH1-O 2.84Å; R72-L75 PolarHBondContact O-N 3.36Å; R72-L75 VanDerWaalsContact O-N 3.12Å; R72-Y106 HydrophobicContact CG-CE1 4.11Å; R72-Y106 PolarHBondContact NH2-O 2.89Å; R72-D108 IonicContact CZ-OD2 2.71Å; R72-D108 VanDerWaalsContact CZ-OD2 3.29Å; R72-D108 IonicContact NH1-OD1 3.78Å; R72-D108 IonicContact NH1-OD2 2.67Å; R72-D108 PolarHBondContact NH1-OD2 3.41Å; R72-D108 IonicContact NH2-OD2 3.29Å; R72-D108 PolarHBondContact NH2-OD2 3.33Å
73E97.9Very high98.5Very high125 Ų12541 Ų4158%0.58422%0.217SC*.G310 helixtrans-70.4-13.3179.464.3-90.6-152.600114.2K71 L75K71-E73 VanDerWaalsContact C-N 3.28Å; K71-E73 HydrophobicContact CB-CG 4.23Å; K71-E73 WeakPolarHBondContact CB-OE2 3.19Å; K71-E73 WeakPolarHBondContact CD-OE1 3.46Å; K71-E73 PolarHBondContact O-N 2.96Å; E73-L75 VanDerWaalsContact C-N 3.27Å
74D97.6Very high98.4Very high77 Ų7740.1 Ų40.141%0.41221%0.21SC..G310 helixtrans-77.7-17.4171.6-63.5-37000111.8R43 V70 K71 R72R43-D74 WeakPolarHBondContact CB-O 3.48Å; R43-D74 VanDerWaalsContact CD-O 3.3Å; R43-D74 WeakPolarHBondContact CD-O 3.39Å; V70-D74 HydrophobicContact CB-CB 4.22Å; V70-D74 HydrophobicContact CG1-CB 4.49Å; K71-D74 PolarHBondContact N-OD2 3.39Å; K71-D74 WeakPolarHBondContact O-CB 3.46Å; K71-D74 PolarHBondContact O-N 3.42Å; K71-D74 VanDerWaalsContact O-N 3.16Å; R72-D74 PolarHBondContact O-N 3.16Å
75L98.6Very high98.4Very high3 Ų342.1 Ų42.12%0.01622%0.218CC..  trans-102.2142.5-174.9-60.7177.3000111.6I38 R43 V61 I65 V70 R72 E73 I77I38-L75 HydrophobicContact CD1-CD1 4.19Å; I38-L75 HydrophobicContact CD1-CD2 4.18Å; I38-L75 HydrophobicContact CG1-CD2 4.18Å; R43-L75 CarbonylContact O-C 3.55Å; R43-L75 WeakPolarHBondContact O-CA 3.3Å; V61-L75 HydrophobicContact CG1-CD1 3.69Å; V61-L75 HydrophobicContact CG2-CD1 4.35Å; I65-L75 HydrophobicContact CD1-CD1 4.48Å; V70-L75 HydrophobicContact CB-CD2 4.49Å; V70-L75 HydrophobicContact CG1-CD2 4.46Å; V70-L75 HydrophobicContact CG2-CD1 4.01Å; V70-L75 HydrophobicContact CG2-CD2 4.18Å; V70-L75 HydrophobicContact CG2-CG 4.15Å; R72-L75 PolarHBondContact NH1-O 2.84Å; R72-L75 PolarHBondContact O-N 3.36Å; R72-L75 VanDerWaalsContact O-N 3.12Å; E73-L75 VanDerWaalsContact C-N 3.27Å; L75-I77 HydrophobicContact CB-CD1 4.08Å; L75-I77 HydrophobicContact CB-CG1 4.34Å
76F98.8Very high98.4Very high11 Ų1139.5 Ų39.55%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-111.9100.5172.8-162.9-77.4000108.7L9 M15 P16 R43 H44 I45 V78 D108 L109L9-F76 HydrophobicContact CD1-CE2 4.24Å; L9-F76 HydrophobicContact CD1-CZ 3.93Å; M15-F76 HydrophobicContact CB-CD1 4.42Å; M15-F76 HydrophobicContact CB-CD2 4.11Å; M15-F76 HydrophobicContact CB-CE1 4.09Å; M15-F76 HydrophobicContact CB-CE2 3.75Å; M15-F76 HydrophobicContact CB-CG 4.44Å; M15-F76 HydrophobicContact CB-CZ 3.76Å; M15-F76 HydrophobicContact CG-CD1 3.7Å; M15-F76 HydrophobicContact CG-CD2 4.24Å; M15-F76 HydrophobicContact CG-CE1 3.51Å; M15-F76 HydrophobicContact CG-CE2 4.09Å; M15-F76 HydrophobicContact CG-CG 4.08Å; M15-F76 HydrophobicContact CG-CZ 3.74Å; M15-F76 HydrophobicContact SD-CD1 4.18Å; M15-F76 HydrophobicContact SD-CE1 3.54Å; M15-F76 VanDerWaalsContact SD-CE1 3.54Å; M15-F76 HydrophobicContact SD-CZ 3.92Å; P16-F76 HydrophobicContact CG-CB 4.21Å; R43-F76 WeakPolarHBondContact O-CB 3.18Å; R43-F76 PolarHBondContact O-N 3.38Å; H44-F76 VanDerWaalsContact CA-O 3.28Å; H44-F76 WeakPolarHBondContact CA-O 3.5Å; H44-F76 HydrophobicContact CB-CB 4.37Å; I45-F76 PolarHBondContact N-O 3.5Å; F76-V78 HydrophobicContact CD1-CG2 3.83Å; F76-V78 HydrophobicContact CE1-CG2 3.72Å; F76-D108 WeakPolarHBondContact CA-OD2 3.49Å; F76-D108 HydrophobicContact CD1-CB 3.99Å; F76-D108 HydrophobicContact CD2-CB 3.75Å; F76-D108 HydrophobicContact CE1-CB 4.02Å; F76-D108 HydrophobicContact CE2-CB 3.79Å; F76-D108 HydrophobicContact CG-CB 3.84Å; F76-D108 HydrophobicContact CZ-CB 3.9Å; F76-L109 HydrophobicContact CE1-CB 3.63Å; F76-L109 HydrophobicContact CE1-CD2 4.12Å; F76-L109 HydrophobicContact CZ-CB 3.81Å; F76-L109 HydrophobicContact CZ-CD2 4.41Å
77I98.9Very high98.4Very high2 Ų235 Ų351%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-100.6124.7-176.8-52.7-58.1000109.6I45 V61 L75 L102 L104 V107 D108 L109I45-I77 HydrophobicContact CB-CD1 3.86Å; I45-I77 HydrophobicContact CG1-CD1 3.95Å; V61-I77 HydrophobicContact CG2-CD1 3.94Å; L75-I77 HydrophobicContact CB-CD1 4.08Å; L75-I77 HydrophobicContact CB-CG1 4.34Å; I77-L102 HydrophobicContact CG2-CD1 4.16Å; I77-L104 HydrophobicContact CB-CD1 4.35Å; I77-L104 HydrophobicContact CG1-CD1 4.04Å; I77-L104 HydrophobicContact CG2-CD1 4.15Å; I77-V107 HydrophobicContact CG2-CG1 4.17Å; I77-D108 PolarHBondContact N-OD2 2.87Å; I77-D108 PolarHBondContact O-N 3.41Å; I77-L109 PolarHBondContact O-N 3.3Å
78V98.9Very high98.5Very high3 Ų331.2 Ų31.22%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-108.3133.7176.6-170.30000109.9H44 I45 G47 F76 L109 L111H44-V78 WeakPolarHBondContact NE2-CG2 3.31Å; I45-V78 PolarHBondContact O-N 3.18Å; G47-V78 PolarHBondContact N-O 3.01Å; F76-V78 HydrophobicContact CD1-CG2 3.83Å; F76-V78 HydrophobicContact CE1-CG2 3.72Å; V78-L109 WeakPolarHBondContact CA-O 3.31Å; V78-L109 HydrophobicContact CG1-CB 4.24Å; V78-L109 HydrophobicContact CG1-CD2 4.17Å; V78-L109 HydrophobicContact CG1-CG 4.17Å; V78-L109 HydrophobicContact CG2-CB 4.1Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; V78-L111 HydrophobicContact CG1-CD1 3.91Å; V78-L111 HydrophobicContact CG1-CG 4.01Å
79S98.9Very high98.5Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-135.7176.9165.3-174.70000110.6E54 T98 L109 Y110 L111E54-S79 VanDerWaalsContact OE1-CB 3.31Å; E54-S79 WeakPolarHBondContact OE1-CB 3.41Å; E54-S79 PolarHBondContact OE1-OG 3.23Å; S79-T98 WeakPolarHBondContact OG-CG2 3.23Å; S79-L109 PolarHBondContact N-O 2.95Å; S79-L109 VanDerWaalsContact N-O 3.11Å; S79-Y110 VanDerWaalsContact C-CD2 3.45Å; S79-Y110 WeakPolarHBondContact O-CA 3.48Å; S79-Y110 WeakPolarHBondContact O-CD2 3.21Å; S79-L111 PolarHBondContact O-N 3.37Å
80K98.9Very high98.5Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-142.1130.6-166.6-41-174.9179.477.30111.8D46 G47 A48 Y51 W82 L111 H113D46-K80 IonicContact OD1-NZ 2.71Å; D46-K80 PolarHBondContact OD1-NZ 3.11Å; D46-K80 WeakPolarHBondContact OD2-CE 3.41Å; D46-K80 IonicContact OD2-NZ 2.89Å; D46-K80 PolarHBondContact OD2-NZ 2.93Å; G47-K80 PolarHBondContact O-NZ 3.17Å; A48-K80 HydrophobicContact CB-CB 3.98Å; A48-K80 HydrophobicContact CB-CD 3.88Å; A48-K80 HydrophobicContact CB-CG 3.84Å; Y51-K80 PolarHBondContact OH-NZ 3.36Å; K80-W82 PolarHBondContact O-N 2.94Å; K80-L111 CarbonylContact C-O 2.93Å; K80-L111 WeakPolarHBondContact CA-O 3.33Å; K80-L111 HydrophobicContact CB-CB 4.37Å; K80-L111 HydrophobicContact CG-CB 4.14Å; K80-L111 HydrophobicContact CG-CD1 4.46Å; K80-H113 HydrophobicContact CB-CB 3.81Å; K80-H113 WeakPolarHBondContact CD-NE2 3.28Å
81L98.9Very high98.5Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-71118.4169.3-17773.2000109.2F85 V91 A94 Y110 L111 H113 T143 M147L81-F85 HydrophobicContact CD1-CB 3.6Å; L81-F85 HydrophobicContact CG-CB 4.29Å; L81-V91 HydrophobicContact CD2-CG1 4.24Å; L81-V91 HydrophobicContact CD2-CG2 4.05Å; L81-A94 HydrophobicContact CD1-CB 3.56Å; L81-Y110 HydrophobicContact CB-CE1 3.8Å; L81-Y110 HydrophobicContact CD1-CE1 4.3Å; L81-L111 PolarHBondContact N-O 2.76Å; L81-H113 WeakPolarHBondContact O-CB 3.36Å; L81-H113 PolarHBondContact O-N 3.34Å; L81-T143 HydrophobicContact CD2-CG2 3.53Å; L81-M147 HydrophobicContact CB-SD 4.31Å; L81-M147 HydrophobicContact CD2-SD 3.95Å
82W98.6Very high98.5Very high8 Ų831.6 Ų31.63%0.0316%0.163CC..  trans-80.6158.7-179.7-172.8-117.1000112.9F49 V50 K80 T84 F85 H86 H113 F114 M118 I124 F125 W305F49-W82 HydrophobicContact CD1-CB 3.98Å; V50-W82 HydrophobicContact CB-CD2 3.77Å; V50-W82 HydrophobicContact CB-CE3 3.82Å; V50-W82 HydrophobicContact CB-CG 4.12Å; V50-W82 HydrophobicContact CB-CZ3 4.3Å; V50-W82 HydrophobicContact CG1-CD2 4.18Å; V50-W82 HydrophobicContact CG1-CE3 3.69Å; V50-W82 HydrophobicContact CG1-CZ3 3.88Å; V50-W82 HydrophobicContact CG2-CD2 3.84Å; V50-W82 HydrophobicContact CG2-CE3 4.07Å; V50-W82 HydrophobicContact CG2-CG 4.4Å; V50-W82 HydrophobicContact CG2-CH2 4.15Å; V50-W82 HydrophobicContact CG2-CZ2 3.94Å; V50-W82 HydrophobicContact CG2-CZ3 4.22Å; K80-W82 PolarHBondContact O-N 2.94Å; W82-T84 PolarHBondContact O-N 3.11Å; W82-T84 VanDerWaalsContact O-N 3.08Å; W82-F85 HydrophobicContact CB-CD2 4.21Å; W82-F85 PolarHBondContact O-N 3.02Å; W82-H86 PolarHBondContact O-CD2 2.97Å; W82-H113 HydrophobicContact CE3-CB 4.07Å; W82-H113 AromaticContact CE3-CE1 3.98Å; W82-H113 AromaticContact CE3-CG 3.78Å; W82-H113 AromaticContact CE3-ND1 3.36Å; W82-H113 HydrophobicContact CZ3-CB 4.49Å; W82-H113 AromaticContact CZ3-CE1 3.89Å; W82-H113 AromaticContact CZ3-CG 3.93Å; W82-H113 AromaticContact CZ3-ND1 3.67Å; W82-F114 HydrophobicContact CZ3-CD2 4.1Å; W82-F114 HydrophobicContact CZ3-CE2 4.46Å; W82-M118 HydrophobicContact CZ2-CE 4.37Å; W82-I124 HydrophobicContact CZ2-CG2 4.25Å; W82-I124 PolarHBondContact NE1-O 3.36Å; W82-F125 AromaticContact CH2-CE1 3.98Å; W82-F125 HydrophobicContact CH2-CE1 3.98Å; W82-F125 AromaticContact CH2-CZ 3.82Å; W82-F125 HydrophobicContact CH2-CZ 3.82Å; W82-F125 HydrophobicContact CZ2-CD1 4.22Å; W82-F125 AromaticContact CZ2-CE1 3.5Å; W82-F125 HydrophobicContact CZ2-CE1 3.5Å; W82-F125 HydrophobicContact CZ2-CE2 4.2Å; W82-F125 AromaticContact CZ2-CZ 3.48Å; W82-F125 HydrophobicContact CZ2-CZ 3.48Å; W82-F125 VanDerWaalsContact CZ2-CZ 3.48Å; W82-W305 HydrophobicContact CH2-CH2 4.5Å; W82-W305 HydrophobicContact CH2-CZ2 4.16Å
83C98.4Very high98.6Very high0 Ų032 Ų320%018%0.177CC..G310 helixtrans-53.7-30.3-174.8-52.40000114.5F85 V116 M118C83-F85 PolarHBondContact O-N 3.32Å; C83-V116 WeakPolarHBondContact CB-O 3.31Å; C83-M118 HydrophobicContact CB-CB 4.04Å; C83-M118 HydrophobicContact CB-CE 3.71Å; C83-M118 HydrophobicContact CB-CG 3.59Å; C83-M118 HydrophobicContact CB-SD 3.61Å; C83-M118 PolarHBondContact O-N 3.24Å
84T98.4Very high98.6Very high3 Ų326.4 Ų26.42%0.01815%0.152CC..G310 helixtrans-78.80.8-18056.30000114.2W82 M118 P120 P126W82-T84 PolarHBondContact O-N 3.11Å; W82-T84 VanDerWaalsContact O-N 3.08Å; T84-M118 HydrophobicContact CG2-CB 3.83Å; T84-M118 HydrophobicContact CG2-SD 4.34Å; T84-P120 WeakPolarHBondContact O-CA 3.34Å; T84-P126 HydrophobicContact CG2-CG 4.14Å
85F98.4Very high98.7Very high43 Ų4322.8 Ų22.819%0.18913%0.132CC..G310 helixtrans-121.121.4-179.6-60.1-80000112.8F49 L81 W82 C83 L90 A94F49-F85 AromaticContact CD1-CE2 3.88Å; F49-F85 HydrophobicContact CD1-CE2 3.88Å; F49-F85 AromaticContact CE1-CE2 3.53Å; F49-F85 HydrophobicContact CE1-CE2 3.53Å; F49-F85 HydrophobicContact CE1-CZ 4.14Å; F49-F85 HydrophobicContact CZ-CE2 4.17Å; F49-F85 HydrophobicContact CZ-CZ 4.35Å; L81-F85 HydrophobicContact CD1-CB 3.6Å; L81-F85 HydrophobicContact CG-CB 4.29Å; W82-F85 HydrophobicContact CB-CD2 4.21Å; W82-F85 PolarHBondContact O-N 3.02Å; C83-F85 PolarHBondContact O-N 3.32Å; F85-L90 HydrophobicContact CB-CB 4.47Å; F85-L90 HydrophobicContact CD1-CB 4.25Å; F85-A94 HydrophobicContact CB-CB 3.82Å; F85-A94 HydrophobicContact CD1-CB 3.75Å; F85-A94 HydrophobicContact CD2-CB 4.22Å; F85-A94 HydrophobicContact CE1-CB 4.37Å; F85-A94 HydrophobicContact CG-CB 3.67Å
86H98.5Very high98.7Very high1 Ų126.3 Ų26.31%0.00515%0.149CC..  trans-74.9-23.4-179.5-78.6-157.1000114.1W82 P88 L112 F114 V116 S138 T143W82-H86 PolarHBondContact O-CD2 2.97Å; H86-P88 WeakPolarHBondContact O-CD 3.45Å; H86-L112 VanDerWaalsContact CE1-CD2 3.5Å; H86-L112 WeakPolarHBondContact CE1-CD2 3.46Å; H86-L112 WeakPolarHBondContact NE2-CD2 3.47Å; H86-F114 PolarHBondContact CE1-O 2.79Å; H86-F114 PolarHBondContact NE2-O 2.94Å; H86-V116 VanDerWaalsContact CE1-C 3.44Å; H86-V116 PolarHBondContact CE1-O 3.43Å; H86-V116 PolarHBondContact ND1-O 3.02Å; H86-S138 WeakPolarHBondContact CB-OG 3.33Å; H86-T143 HydrophobicContact CB-CG2 4.42Å; H86-T143 PolarHBondContact O-OG1 3.41Å
87V98.3Very high98.7Very high43 Ų4329.9 Ų29.926%0.26116%0.164SC..SBendtrans-54.2123.5171.41780000108.8S89 L90 P120 D136V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.36Å; V87-S89 VanDerWaalsContact O-N 3.09Å; V87-L90 HydrophobicContact CB-CD1 3.95Å; V87-L90 HydrophobicContact CB-CG 4.11Å; V87-L90 HydrophobicContact CG1-CG 4.46Å; V87-L90 HydrophobicContact CG2-CD1 4.47Å; V87-L90 WeakPolarHBondContact O-CB 3.29Å; V87-L90 PolarHBondContact O-N 2.9Å; V87-P120 HydrophobicContact CB-CG 4.46Å; V87-P120 HydrophobicContact CG2-CG 3.59Å; V87-D136 WeakPolarHBondContact CG2-OD2 3.38Å
88P98.4Very high98.7Very high43 Ų4329.8 Ų29.828%0.27916%0.164SC..Hα-helixtrans-49.4-43.8-170.2-34.637.8000114.7H86 L90 V91 D142 E146H86-P88 WeakPolarHBondContact O-CD 3.45Å; P88-L90 PolarHBondContact O-N 3.39Å; P88-L90 VanDerWaalsContact O-N 3.09Å; P88-V91 PolarHBondContact O-N 3.12Å; P88-D142 HydrophobicContact CG-CB 3.98Å; P88-E146 HydrophobicContact CB-CG 3.62Å; P88-E146 WeakPolarHBondContact O-CG 3.12Å
89S98.3Very high98.7Very high100 Ų10030.2 Ų30.270%0.69917%0.166SC*.Hα-helixtrans-64.3-15.1-179.556.40000114.8V87V87-S89 VanDerWaalsContact C-N 3.28Å; V87-S89 PolarHBondContact O-N 3.36Å; V87-S89 VanDerWaalsContact O-N 3.09Å
90L98.6Very high98.7Very high58 Ų5838 Ų3830%0.30420%0.2SC..Hα-helixtrans-94.9-18.4-178.9-58.9-178.3000113.6F85 V87 P88 R92 G93 A94 P120F85-L90 HydrophobicContact CB-CB 4.47Å; F85-L90 HydrophobicContact CD1-CB 4.25Å; V87-L90 HydrophobicContact CB-CD1 3.95Å; V87-L90 HydrophobicContact CB-CG 4.11Å; V87-L90 HydrophobicContact CG1-CG 4.46Å; V87-L90 HydrophobicContact CG2-CD1 4.47Å; V87-L90 WeakPolarHBondContact O-CB 3.29Å; V87-L90 PolarHBondContact O-N 2.9Å; P88-L90 PolarHBondContact O-N 3.39Å; P88-L90 VanDerWaalsContact O-N 3.09Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-G93 PolarHBondContact O-N 2.91Å; L90-A94 PolarHBondContact O-N 2.95Å; L90-P120 HydrophobicContact CD1-CB 3.62Å; L90-P120 HydrophobicContact CD1-CG 3.74Å
91V98.8Very high98.6Very high0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-58.2-47.4-171.8173.90000111.8L81 P88 A94 C95 T143 E146 M147 L150L81-V91 HydrophobicContact CD2-CG1 4.24Å; L81-V91 HydrophobicContact CD2-CG2 4.05Å; P88-V91 PolarHBondContact O-N 3.12Å; V91-A94 PolarHBondContact O-N 3.34Å; V91-C95 PolarHBondContact O-N 2.91Å; V91-C95 VanDerWaalsContact O-N 3.09Å; V91-T143 HydrophobicContact CG2-CG2 3.79Å; V91-E146 HydrophobicContact CB-CB 3.75Å; V91-E146 HydrophobicContact CG1-CB 3.82Å; V91-E146 HydrophobicContact CG2-CB 3.9Å; V91-E146 HydrophobicContact CG2-CG 4.45Å; V91-M147 HydrophobicContact CG1-CG 4.23Å; V91-M147 HydrophobicContact CG1-SD 3.94Å; V91-L150 HydrophobicContact CG1-CD1 3.95Å; V91-L150 HydrophobicContact CG1-CG 4.44Å
92R98.8Very high98.6Very high113 Ų11340.3 Ų40.343%0.42621%0.212SC..Hα-helixtrans-63.2-47.4179.5-172.2171.6-174.4-71.6-12.8112.2L90 A94 C95 E96 L150 D153 L155L90-R92 PolarHBondContact O-N 3.32Å; R92-A94 VanDerWaalsContact C-N 3.3Å; R92-A94 PolarHBondContact O-N 3.16Å; R92-C95 PolarHBondContact O-N 3.01Å; R92-E96 IonicContact CZ-OE1 2.87Å; R92-E96 IonicContact NH1-OE1 3.19Å; R92-E96 PolarHBondContact NH1-OE1 2.6Å; R92-E96 IonicContact NH1-OE2 2.93Å; R92-E96 PolarHBondContact NH1-OE2 3.26Å; R92-E96 IonicContact NH2-OE1 2.85Å; R92-E96 PolarHBondContact NH2-OE1 2.71Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.75Å; R92-L150 HydrophobicContact CB-CD2 4.16Å; R92-L150 HydrophobicContact CG-CD2 4.2Å; R92-D153 IonicContact NE-OD2 3.26Å; R92-L155 HydrophobicContact CG-CD1 4.48Å
93G98.8Very high98.6Very high40 Ų4044 Ų4441%0.41223%0.228SC..Hα-helixtrans-62.6-35.7178.900000113.1L90 K97L90-G93 PolarHBondContact O-N 2.91Å; G93-K97 WeakPolarHBondContact O-CB 3.46Å; G93-K97 PolarHBondContact O-N 3.37Å
94A98.8Very high98.6Very high7 Ų745 Ų456%0.05823%0.234CC..Hα-helixtrans-66-43.5174.500000112.1L81 F85 L90 V91 R92 K97 T98L81-A94 HydrophobicContact CD1-CB 3.56Å; F85-A94 HydrophobicContact CB-CB 3.82Å; F85-A94 HydrophobicContact CD1-CB 3.75Å; F85-A94 HydrophobicContact CD2-CB 4.22Å; F85-A94 HydrophobicContact CE1-CB 4.37Å; F85-A94 HydrophobicContact CG-CB 3.67Å; L90-A94 PolarHBondContact O-N 2.95Å; V91-A94 PolarHBondContact O-N 3.34Å; R92-A94 VanDerWaalsContact C-N 3.3Å; R92-A94 PolarHBondContact O-N 3.16Å; A94-K97 PolarHBondContact O-N 3.11Å; A94-T98 PolarHBondContact O-N 3.06Å
95C98.9Very high98.6Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-62.8-47.9175.2-175.20000111.7V91 R92 K97 T98 L99 Y110 L150V91-C95 PolarHBondContact O-N 2.91Å; V91-C95 VanDerWaalsContact O-N 3.09Å; R92-C95 PolarHBondContact O-N 3.01Å; C95-K97 VanDerWaalsContact C-N 3.26Å; C95-K97 PolarHBondContact O-N 2.94Å; C95-T98 WeakPolarHBondContact O-CB 3.45Å; C95-T98 PolarHBondContact O-N 2.99Å; C95-T98 VanDerWaalsContact O-N 3.1Å; C95-L99 WeakPolarHBondContact O-CG 3.24Å; C95-L99 PolarHBondContact O-N 2.66Å; C95-Y110 HydrophobicContact CB-CE1 3.93Å; C95-L150 HydrophobicContact CB-CD1 3.77Å; C95-L150 HydrophobicContact CB-CD2 4.14Å
96E98.9Very high98.6Very high78 Ų7852 Ų5236%0.36427%0.269SS..Hα-helixtrans-60.2-36.4177.5-72.7178.3141.600112.2R92 L99 K100 L155R92-E96 IonicContact CZ-OE1 2.87Å; R92-E96 IonicContact NH1-OE1 3.19Å; R92-E96 PolarHBondContact NH1-OE1 2.6Å; R92-E96 IonicContact NH1-OE2 2.93Å; R92-E96 PolarHBondContact NH1-OE2 3.26Å; R92-E96 IonicContact NH2-OE1 2.85Å; R92-E96 PolarHBondContact NH2-OE1 2.71Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.75Å; E96-L99 PolarHBondContact O-N 2.97Å; E96-K100 WeakPolarHBondContact O-CB 3.32Å; E96-K100 PolarHBondContact O-N 3.42Å; E96-L155 HydrophobicContact CG-CD1 4.31Å
97K98.7Very high98.7Very high85 Ų8551.9 Ų51.937%0.3727%0.269SS..Hα-helixtrans-63.4-48.1172.6173.8167.2164.950.40111.9F49 G93 A94 C95 L99 K100 D101F49-K97 HydrophobicContact CE2-CD 4.24Å; G93-K97 WeakPolarHBondContact O-CB 3.46Å; G93-K97 PolarHBondContact O-N 3.37Å; A94-K97 PolarHBondContact O-N 3.11Å; C95-K97 VanDerWaalsContact C-N 3.26Å; C95-K97 PolarHBondContact O-N 2.94Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 3.15Å; K97-K100 WeakPolarHBondContact O-CB 3.49Å; K97-K100 PolarHBondContact O-N 3.03Å; K97-D101 IonicContact NZ-OD1 2.75Å; K97-D101 IonicContact NZ-OD2 3.55Å; K97-D101 PolarHBondContact NZ-OD2 2.92Å; K97-D101 PolarHBondContact O-N 2.87Å
98T98.9Very high98.7Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-55.8-45.4174.4-81.50000111.3E54 S79 A94 C95 K100 D101 L102 V107 Y110E54-T98 WeakPolarHBondContact OE1-CG2 3.39Å; E54-T98 WeakPolarHBondContact OE2-CA 3.4Å; E54-T98 WeakPolarHBondContact OE2-CB 3.38Å; E54-T98 PolarHBondContact OE2-OG1 3.15Å; S79-T98 WeakPolarHBondContact OG-CG2 3.23Å; A94-T98 PolarHBondContact O-N 3.06Å; C95-T98 WeakPolarHBondContact O-CB 3.45Å; C95-T98 PolarHBondContact O-N 2.99Å; C95-T98 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact O-N 2.88Å; T98-D101 PolarHBondContact O-N 3.08Å; T98-L102 HydrophobicContact CG2-CD1 3.61Å; T98-L102 HydrophobicContact CG2-CG 4.38Å; T98-L102 VanDerWaalsContact O-CB 3.32Å; T98-L102 WeakPolarHBondContact O-CB 3.31Å; T98-L102 VanDerWaalsContact O-CG 3.29Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 2.87Å; T98-V107 HydrophobicContact CG2-CG1 4.46Å; T98-Y110 HydrophobicContact CG2-CE2 4.21Å
99L98.9Very high98.7Very high13 Ų1348.7 Ų48.77%0.06825%0.248CC..Hα-helixtrans-61.2-43.9177.8-70178.1000112.3C95 E96 K97 L102 K103 L104 Y106 V107 L155C95-L99 WeakPolarHBondContact O-CG 3.24Å; C95-L99 PolarHBondContact O-N 2.66Å; E96-L99 PolarHBondContact O-N 2.97Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 3.15Å; L99-L102 PolarHBondContact O-N 3.11Å; L99-K103 WeakPolarHBondContact O-CA 3.33Å; L99-K103 PolarHBondContact O-N 2.93Å; L99-L104 WeakPolarHBondContact CB-O 3.43Å; L99-L104 PolarHBondContact O-N 3.33Å; L99-Y106 VanDerWaalsContact CD2-C 3.47Å; L99-Y106 VanDerWaalsContact CD2-CA 3.47Å; L99-V107 HydrophobicContact CD2-CG1 4.05Å; L99-L155 HydrophobicContact CD1-CB 4.06Å; L99-L155 HydrophobicContact CD1-CD2 3.87Å; L99-L155 HydrophobicContact CD1-CG 4.44Å
100K98.8Very high98.8Very high164 Ų16444 Ų4471%0.71322%0.215SC*.Hα-helixtrans-60.7-47.4175.2179.7-178.9176.4-178.70111.9E96 K97 T98 K103E96-K100 WeakPolarHBondContact O-CB 3.32Å; E96-K100 PolarHBondContact O-N 3.42Å; K97-K100 WeakPolarHBondContact O-CB 3.49Å; K97-K100 PolarHBondContact O-N 3.03Å; T98-K100 PolarHBondContact O-N 2.88Å; K100-K103 PolarHBondContact O-N 2.81Å; K100-K103 VanDerWaalsContact O-N 3.16Å
101D98.5Very high98.8Very high44 Ų4441.2 Ų41.224%0.23520%0.201CC..Hα-helixtrans-66.8-42.3-178.3-68.1-15.8000110.7E54 G55 K97 T98 K103E54-D101 HydrophobicContact CB-CB 4.03Å; G55-D101 WeakPolarHBondContact CA-O 3.23Å; K97-D101 IonicContact NZ-OD1 2.75Å; K97-D101 IonicContact NZ-OD2 3.55Å; K97-D101 PolarHBondContact NZ-OD2 2.92Å; K97-D101 PolarHBondContact O-N 2.87Å; T98-D101 PolarHBondContact O-N 3.08Å; D101-K103 PolarHBondContact O-N 3.06Å
102L98.7Very high98.8Very high3 Ų341.2 Ų41.22%0.01620%0.201CC..Hα-helixtrans-69.7-15.5173.8-69.5171.1000113.5E54 V57 G58 I77 T98 L99 L104 V107E54-L102 HydrophobicContact CB-CD2 4.05Å; E54-L102 HydrophobicContact CB-CG 4.22Å; E54-L102 WeakPolarHBondContact O-CD2 3.39Å; V57-L102 HydrophobicContact CB-CD2 3.92Å; V57-L102 HydrophobicContact CG1-CD2 3.79Å; G58-L102 WeakPolarHBondContact CA-O 3.39Å; I77-L102 HydrophobicContact CG2-CD1 4.16Å; T98-L102 HydrophobicContact CG2-CD1 3.61Å; T98-L102 HydrophobicContact CG2-CG 4.38Å; T98-L102 VanDerWaalsContact O-CB 3.32Å; T98-L102 WeakPolarHBondContact O-CB 3.31Å; T98-L102 VanDerWaalsContact O-CG 3.29Å; T98-L102 WeakPolarHBondContact O-CG 3.47Å; T98-L102 PolarHBondContact O-N 2.87Å; L99-L102 PolarHBondContact O-N 3.11Å; L102-L104 VanDerWaalsContact C-N 3.31Å; L102-L104 HydrophobicContact CB-CB 4.31Å; L102-L104 HydrophobicContact CB-CD1 4.01Å; L102-L104 HydrophobicContact CB-CG 3.99Å; L102-L104 HydrophobicContact CD1-CD1 4.42Å; L102-V107 HydrophobicContact CD1-CG1 3.63Å
103K98.3Very high98.8Very high86 Ų8636.3 Ų36.337%0.37418%0.183SC..THydrogen-bonded Turntrans58.143.5-173.9-52.1169.1-171.81680111.4E59 L99 K100 D101E59-K103 IonicContact OE1-NZ 3.96Å; E59-K103 PolarHBondContact OE1-NZ 3.48Å; L99-K103 WeakPolarHBondContact O-CA 3.33Å; L99-K103 PolarHBondContact O-N 2.93Å; K100-K103 PolarHBondContact O-N 2.81Å; K100-K103 VanDerWaalsContact O-N 3.16Å; D101-K103 PolarHBondContact O-N 3.06Å
104L98.6Very high98.8Very high22 Ų2234.5 Ų34.512%0.11516%0.163CC..  trans-127.4149.1-177.8-64.7-179.9000111.1V61 I77 L99 L102V61-L104 HydrophobicContact CG1-CD2 4.26Å; I77-L104 HydrophobicContact CB-CD1 4.35Å; I77-L104 HydrophobicContact CG1-CD1 4.04Å; I77-L104 HydrophobicContact CG2-CD1 4.15Å; L99-L104 WeakPolarHBondContact CB-O 3.43Å; L99-L104 PolarHBondContact O-N 3.33Å; L102-L104 VanDerWaalsContact C-N 3.31Å; L102-L104 HydrophobicContact CB-CB 4.31Å; L102-L104 HydrophobicContact CB-CD1 4.01Å; L102-L104 HydrophobicContact CB-CG 3.99Å; L102-L104 HydrophobicContact CD1-CD1 4.42Å
105D98.6Very high98.7Very high148 Ų14834.2 Ų34.279%0.79116%0.161SC*.SBendtrans-78.8-23.3174.9-56.2-46.7000112.8
106Y98.8Very high98.7Very high43 Ų4334.2 Ų34.217%0.16916%0.161CC..  trans-153.2159.3177.571.8-88.9000112.3R72 L99 L155 K157R72-Y106 HydrophobicContact CG-CE1 4.11Å; R72-Y106 PolarHBondContact NH2-O 2.89Å; L99-Y106 VanDerWaalsContact CD2-C 3.47Å; L99-Y106 VanDerWaalsContact CD2-CA 3.47Å; Y106-L155 WeakPolarHBondContact CA-O 3.36Å; Y106-L155 WeakPolarHBondContact CB-O 3.32Å; Y106-K157 HydrophobicContact CD2-CD 4.1Å; Y106-K157 VanDerWaalsContact CD2-CE 3.49Å; Y106-K157 HydrophobicContact CD2-CG 3.6Å; Y106-K157 HydrophobicContact CE2-CD 4.36Å; Y106-K157 HydrophobicContact CE2-CG 3.78Å
107V98.9Very high98.6Very high0 Ų030.6 Ų30.60%014%0.144CC..BIsolated β-bridgetrans-109.1150.7163.1-68.90000111.2I77 T98 L99 L102 Y110 L155 V156 K157I77-V107 HydrophobicContact CG2-CG1 4.17Å; T98-V107 HydrophobicContact CG2-CG1 4.46Å; L99-V107 HydrophobicContact CD2-CG1 4.05Å; L102-V107 HydrophobicContact CD1-CG1 3.63Å; V107-Y110 HydrophobicContact CG2-CD2 4.12Å; V107-Y110 HydrophobicContact CG2-CG 4.39Å; V107-L155 PolarHBondContact N-O 2.88Å; V107-V156 HydrophobicContact CG2-CB 4.19Å; V107-V156 HydrophobicContact CG2-CG1 3.69Å; V107-V156 CarbonylContact O-C 3.36Å; V107-V156 WeakPolarHBondContact O-CA 3.36Å; V107-K157 PolarHBondContact O-N 3.12Å
108D98.9Very high98.5Very high18 Ų1826.5 Ų26.510%0.09613%0.127CC..SBendtrans-76.9-32.5-176-61.5-88.2000111.7R72 F76 I77 A158R72-D108 IonicContact CZ-OD2 2.71Å; R72-D108 VanDerWaalsContact CZ-OD2 3.29Å; R72-D108 IonicContact NH1-OD1 3.78Å; R72-D108 IonicContact NH1-OD2 2.67Å; R72-D108 PolarHBondContact NH1-OD2 3.41Å; R72-D108 IonicContact NH2-OD2 3.29Å; R72-D108 PolarHBondContact NH2-OD2 3.33Å; F76-D108 WeakPolarHBondContact CA-OD2 3.49Å; F76-D108 HydrophobicContact CD1-CB 3.99Å; F76-D108 HydrophobicContact CD2-CB 3.75Å; F76-D108 HydrophobicContact CE1-CB 4.02Å; F76-D108 HydrophobicContact CE2-CB 3.79Å; F76-D108 HydrophobicContact CG-CB 3.84Å; F76-D108 HydrophobicContact CZ-CB 3.9Å; I77-D108 PolarHBondContact N-OD2 2.87Å; I77-D108 PolarHBondContact O-N 3.41Å; D108-A158 PolarHBondContact O-N 2.89Å
109L98.9Very high98.5Very high1 Ų131.7 Ų31.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-143.9128176.3178.961.9000110.3M15 F76 I77 V78 S79 L111 A158 N184M15-L109 HydrophobicContact SD-CD2 4.04Å; F76-L109 HydrophobicContact CE1-CB 3.63Å; F76-L109 HydrophobicContact CE1-CD2 4.12Å; F76-L109 HydrophobicContact CZ-CB 3.81Å; F76-L109 HydrophobicContact CZ-CD2 4.41Å; I77-L109 PolarHBondContact O-N 3.3Å; V78-L109 WeakPolarHBondContact CA-O 3.31Å; V78-L109 HydrophobicContact CG1-CB 4.24Å; V78-L109 HydrophobicContact CG1-CD2 4.17Å; V78-L109 HydrophobicContact CG1-CG 4.17Å; V78-L109 HydrophobicContact CG2-CB 4.1Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; S79-L109 PolarHBondContact N-O 2.95Å; S79-L109 VanDerWaalsContact N-O 3.11Å; L109-L111 HydrophobicContact CD1-CD2 3.78Å; L109-L111 HydrophobicContact CD2-CD2 3.85Å; L109-L111 HydrophobicContact CD2-CG 4.47Å; L109-L111 HydrophobicContact CG-CD2 3.62Å; L109-L111 HydrophobicContact CG-CG 4.2Å; L109-A158 WeakPolarHBondContact CA-O 3.38Å; L109-A158 HydrophobicContact CD1-CB 3.96Å; L109-N184 HydrophobicContact CD1-CB 4.43Å; L109-N184 HydrophobicContact CD2-CB 3.83Å
110Y98.9Very high98.4Very high1 Ų133.5 Ų33.50%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-117.1122173.7-158.5-127.5000110.3S79 L81 C95 T98 V107 M147 L150 V156 A158 I159 G160S79-Y110 VanDerWaalsContact C-CD2 3.45Å; S79-Y110 WeakPolarHBondContact O-CA 3.48Å; S79-Y110 WeakPolarHBondContact O-CD2 3.21Å; L81-Y110 HydrophobicContact CB-CE1 3.8Å; L81-Y110 HydrophobicContact CD1-CE1 4.3Å; C95-Y110 HydrophobicContact CB-CE1 3.93Å; T98-Y110 HydrophobicContact CG2-CE2 4.21Å; V107-Y110 HydrophobicContact CG2-CD2 4.12Å; V107-Y110 HydrophobicContact CG2-CG 4.39Å; Y110-M147 HydrophobicContact CD1-CE 3.51Å; Y110-M147 HydrophobicContact CD1-SD 3.72Å; Y110-M147 HydrophobicContact CE1-CE 4.27Å; Y110-M147 HydrophobicContact CE1-SD 4.02Å; Y110-M147 HydrophobicContact CG-CE 4.19Å; Y110-M147 WeakPolarHBondContact O-CE 3.12Å; Y110-L150 HydrophobicContact CD1-CD1 3.89Å; Y110-L150 HydrophobicContact CE1-CD1 4.13Å; Y110-V156 HydrophobicContact CD1-CG1 4.37Å; Y110-V156 HydrophobicContact CG-CG1 4.12Å; Y110-A158 PolarHBondContact N-O 3.3Å; Y110-I159 VanDerWaalsContact O-CA 3.32Å; Y110-I159 WeakPolarHBondContact O-CA 3.32Å; Y110-G160 PolarHBondContact O-N 2.88Å
111L98.9Very high98.2Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-104.3138.1-173.3-55.4-179.3000111.6V78 S79 K80 L81 L109 H113 G160 N184 Q186V78-L111 HydrophobicContact CG1-CD1 3.91Å; V78-L111 HydrophobicContact CG1-CG 4.01Å; S79-L111 PolarHBondContact O-N 3.37Å; K80-L111 CarbonylContact C-O 2.93Å; K80-L111 WeakPolarHBondContact CA-O 3.33Å; K80-L111 HydrophobicContact CB-CB 4.37Å; K80-L111 HydrophobicContact CG-CB 4.14Å; K80-L111 HydrophobicContact CG-CD1 4.46Å; L81-L111 PolarHBondContact N-O 2.76Å; L109-L111 HydrophobicContact CD1-CD2 3.78Å; L109-L111 HydrophobicContact CD2-CD2 3.85Å; L109-L111 HydrophobicContact CD2-CG 4.47Å; L109-L111 HydrophobicContact CG-CD2 3.62Å; L109-L111 HydrophobicContact CG-CG 4.2Å; L111-H113 PolarHBondContact O-N 3.27Å; L111-G160 CarbonylContact C-O 3.47Å; L111-G160 VanDerWaalsContact CA-O 3.31Å; L111-G160 WeakPolarHBondContact CA-O 3.1Å; L111-G160 VanDerWaalsContact CD2-C 3.47Å; L111-G160 VanDerWaalsContact CD2-CA 3.5Å; L111-N184 HydrophobicContact CD2-CB 4.43Å; L111-Q186 HydrophobicContact CD1-CB 3.74Å; L111-Q186 HydrophobicContact CD1-CG 4.49Å
112L98.8Very high97.9Very high0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-70.8109160.9-154.1167000107.3H86 F114 F140 T143 G160 V161 S162 F164H86-L112 VanDerWaalsContact CE1-CD2 3.5Å; H86-L112 WeakPolarHBondContact CE1-CD2 3.46Å; H86-L112 WeakPolarHBondContact NE2-CD2 3.47Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 WeakPolarHBondContact CD2-O 3.35Å; L112-F114 PolarHBondContact O-N 3.09Å; L112-F140 HydrophobicContact CD1-CB 4.19Å; L112-T143 HydrophobicContact CD1-CG2 3.93Å; L112-T143 HydrophobicContact CG-CG2 4.43Å; L112-G160 PolarHBondContact N-O 3.48Å; L112-V161 HydrophobicContact CB-CG1 4.46Å; L112-S162 PolarHBondContact O-N 2.64Å; L112-F164 HydrophobicContact CB-CE2 4.38Å; L112-F164 HydrophobicContact CB-CZ 4.4Å; L112-F164 HydrophobicContact CD1-CZ 4.15Å; L112-F164 HydrophobicContact CD2-CE2 3.88Å; L112-F164 HydrophobicContact CD2-CZ 3.82Å; L112-F164 HydrophobicContact CG-CZ 4.35Å
113H98.8Very high97.7Very high10 Ų1042 Ų425%0.04621%0.213CC..  trans-67.1-33.3-161.4-157.5156.8000113.2V50 K80 L81 W82 L111 S162 N163V50-H113 WeakPolarHBondContact CG1-CE1 3.21Å; K80-H113 HydrophobicContact CB-CB 3.81Å; K80-H113 WeakPolarHBondContact CD-NE2 3.28Å; L81-H113 WeakPolarHBondContact O-CB 3.36Å; L81-H113 PolarHBondContact O-N 3.34Å; W82-H113 HydrophobicContact CE3-CB 4.07Å; W82-H113 AromaticContact CE3-CE1 3.98Å; W82-H113 AromaticContact CE3-CG 3.78Å; W82-H113 AromaticContact CE3-ND1 3.36Å; W82-H113 HydrophobicContact CZ3-CB 4.49Å; W82-H113 AromaticContact CZ3-CE1 3.89Å; W82-H113 AromaticContact CZ3-CG 3.93Å; W82-H113 AromaticContact CZ3-ND1 3.67Å; L111-H113 PolarHBondContact O-N 3.27Å; H113-S162 CarbonylContact C-O 3.26Å; H113-S162 CarbonylContact O-C 3.48Å; H113-S162 VanDerWaalsContact O-CB 3.3Å; H113-S162 WeakPolarHBondContact O-CB 3.46Å; H113-N163 PolarHBondContact O-ND2 3.33Å
114F98.7Very high97.5Very high1 Ų139.5 Ų39.50%0.00420%0.204CC..  trans-150.3151.7175.8-92-90.6000108.5W82 H86 L112 V116 N163 F301 A303 W305 F314W82-F114 HydrophobicContact CZ3-CD2 4.1Å; W82-F114 HydrophobicContact CZ3-CE2 4.46Å; H86-F114 PolarHBondContact CE1-O 2.79Å; H86-F114 PolarHBondContact NE2-O 2.94Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-F114 WeakPolarHBondContact CD2-O 3.35Å; L112-F114 PolarHBondContact O-N 3.09Å; F114-V116 HydrophobicContact CB-CB 4.46Å; F114-V116 PolarHBondContact O-N 2.91Å; F114-N163 HydrophobicContact CD1-CB 3.65Å; F114-N163 HydrophobicContact CE1-CB 3.49Å; F114-N163 VanDerWaalsContact CE1-CB 3.49Å; F114-N163 VanDerWaalsContact CE1-CG 3.48Å; F114-N163 HydrophobicContact CE2-CB 4.48Å; F114-N163 WeakPolarHBondContact CE2-ND2 3.42Å; F114-N163 HydrophobicContact CG-CB 4.2Å; F114-N163 HydrophobicContact CZ-CB 3.93Å; F114-N163 WeakPolarHBondContact CZ-ND2 3.33Å; F114-F301 AromaticContact CE2-CE1 3.81Å; F114-F301 HydrophobicContact CE2-CE1 3.81Å; F114-F301 HydrophobicContact CE2-CZ 4.17Å; F114-F301 HydrophobicContact CZ-CD1 4.27Å; F114-F301 AromaticContact CZ-CE1 3.39Å; F114-F301 HydrophobicContact CZ-CE1 3.39Å; F114-F301 AromaticContact CZ-CZ 3.88Å; F114-F301 HydrophobicContact CZ-CZ 3.88Å; F114-A303 HydrophobicContact CE1-CB 3.75Å; F114-A303 HydrophobicContact CZ-CB 3.97Å; F114-W305 HydrophobicContact CB-CH2 4.3Å; F114-W305 AromaticContact CD1-CH2 3.89Å; F114-W305 HydrophobicContact CD1-CH2 3.89Å; F114-W305 HydrophobicContact CD1-CZ2 4.19Å; F114-W305 AromaticContact CD2-CH2 4Å; F114-W305 HydrophobicContact CD2-CH2 4Å; F114-W305 HydrophobicContact CD2-CZ2 4.01Å; F114-W305 HydrophobicContact CE1-CH2 4.19Å; F114-W305 HydrophobicContact CE1-CZ2 4.04Å; F114-W305 HydrophobicContact CE2-CH2 4.3Å; F114-W305 AromaticContact CE2-CZ2 3.86Å; F114-W305 HydrophobicContact CE2-CZ2 3.86Å; F114-W305 AromaticContact CG-CH2 3.79Å; F114-W305 HydrophobicContact CG-CH2 3.79Å; F114-W305 HydrophobicContact CG-CZ2 4.18Å; F114-W305 HydrophobicContact CZ-CH2 4.39Å; F114-W305 AromaticContact CZ-CZ2 3.87Å; F114-W305 HydrophobicContact CZ-CZ2 3.87Å; F114-F314 HydrophobicContact CE1-CE2 4.39Å; F114-F314 HydrophobicContact CE1-CZ 4.25Å
115P97.9Very high97.4Very high1 Ų142.6 Ų42.61%0.00622%0.216CC..SBendtrans-72.812.7174.731.7-37.7000114.1F140 F164 Q168 D311 P313P115-F140 HydrophobicContact CB-CD1 4.11Å; P115-F164 HydrophobicContact CB-CD1 4.35Å; P115-F164 HydrophobicContact CB-CD2 4.07Å; P115-F164 HydrophobicContact CB-CE1 3.94Å; P115-F164 HydrophobicContact CB-CE2 3.69Å; P115-F164 HydrophobicContact CB-CG 4.4Å; P115-F164 HydrophobicContact CB-CZ 3.6Å; P115-F164 HydrophobicContact CG-CD2 4.2Å; P115-F164 HydrophobicContact CG-CE2 4.2Å; P115-Q168 VanDerWaalsContact CG-NE2 3.31Å; P115-D311 HydrophobicContact CB-CB 4.31Å; P115-D311 WeakPolarHBondContact CG-O 3.47Å; P115-D311 WeakPolarHBondContact O-CB 3.45Å; P115-P313 HydrophobicContact CG-CB 4.04Å; P115-P313 HydrophobicContact CG-CG 4.1Å
116V97.3Very high97.3Very high1 Ų136 Ų361%0.00618%0.182CC..  trans-108.2120.4-169.4173.80000110.9C83 H86 F114 W305 A306 H309C83-V116 WeakPolarHBondContact CB-O 3.31Å; H86-V116 VanDerWaalsContact CE1-C 3.44Å; H86-V116 PolarHBondContact CE1-O 3.43Å; H86-V116 PolarHBondContact ND1-O 3.02Å; F114-V116 HydrophobicContact CB-CB 4.46Å; F114-V116 PolarHBondContact O-N 2.91Å; V116-W305 HydrophobicContact CB-CZ3 4.29Å; V116-W305 HydrophobicContact CG1-CZ3 4.03Å; V116-A306 HydrophobicContact CG1-CB 4.29Å; V116-A306 HydrophobicContact CG2-CB 3.98Å; V116-H309 HydrophobicContact CG1-CB 4.02Å; V116-H309 HydrophobicContact CG2-CB 4.33Å
117G97.1Very high97.1Very high1 Ų136 Ų361%0.0119%0.188CC..  trans-83.8131.4174.100000112.4C135 D136G117-C135 WeakPolarHBondContact O-CA 3.42Å; G117-D136 VanDerWaalsContact CA-OD1 3.29Å; G117-D136 WeakPolarHBondContact CA-OD1 3.34Å; G117-D136 PolarHBondContact O-N 3.41Å
118M97.8Very high96.8Very high0 Ų038.8 Ų38.80%020%0.203CC..BIsolated β-bridgetrans-118.5152.3176.8-69.2-178.3-167.200110.9W82 C83 T84 P120 F125 P126 I133 W305W82-M118 HydrophobicContact CZ2-CE 4.37Å; C83-M118 HydrophobicContact CB-CB 4.04Å; C83-M118 HydrophobicContact CB-CE 3.71Å; C83-M118 HydrophobicContact CB-CG 3.59Å; C83-M118 HydrophobicContact CB-SD 3.61Å; C83-M118 PolarHBondContact O-N 3.24Å; T84-M118 HydrophobicContact CG2-CB 3.83Å; T84-M118 HydrophobicContact CG2-SD 4.34Å; M118-P120 WeakPolarHBondContact O-CD 3.26Å; M118-P120 VanDerWaalsContact O-N 3.15Å; M118-F125 HydrophobicContact CE-CD1 4.27Å; M118-F125 HydrophobicContact CE-CE1 4.46Å; M118-P126 HydrophobicContact CB-CG 3.91Å; M118-P126 HydrophobicContact SD-CG 4.4Å; M118-I133 HydrophobicContact CE-CG2 4.05Å; M118-I133 HydrophobicContact CG-CG2 3.68Å; M118-I133 HydrophobicContact SD-CG2 3.93Å; M118-W305 HydrophobicContact CE-CD2 4.1Å; M118-W305 HydrophobicContact CE-CE3 3.2Å; M118-W305 HydrophobicContact CE-CH2 3.68Å; M118-W305 HydrophobicContact CE-CZ2 4.46Å; M118-W305 HydrophobicContact CE-CZ3 2.95Å
119K97.6Very high96.6Very high109 Ų10946.6 Ų46.647%0.47424%0.239SC..  trans-49.5121.7175.3179.3173.7177.1178.40110.9P126 I134K119-P126 HydrophobicContact CB-CB 4.26Å; K119-P126 HydrophobicContact CB-CG 4.18Å; K119-P126 WeakPolarHBondContact O-CG 3.35Å; K119-I134 HydrophobicContact CB-CB 4.1Å; K119-I134 HydrophobicContact CB-CG2 3.83Å; K119-I134 WeakPolarHBondContact CB-O 3.15Å; K119-I134 HydrophobicContact CD-CB 4.4Å; K119-I134 HydrophobicContact CD-CD1 4.45Å; K119-I134 HydrophobicContact CD-CG2 3.79Å; K119-I134 HydrophobicContact CG-CG2 4.42Å; K119-I134 PolarHBondContact N-O 3.18Å
120P97.5Very high96.2Very high50 Ų5051.7 Ų51.733%0.32527%0.266SS..  trans-59.6145.5176-26.535000112.8T84 V87 L90 M118T84-P120 WeakPolarHBondContact O-CA 3.34Å; V87-P120 HydrophobicContact CB-CG 4.46Å; V87-P120 HydrophobicContact CG2-CG 3.59Å; L90-P120 HydrophobicContact CD1-CB 3.62Å; L90-P120 HydrophobicContact CD1-CG 3.74Å; M118-P120 WeakPolarHBondContact O-CD 3.26Å; M118-P120 VanDerWaalsContact O-N 3.15Å
121G94.6Very high95.7Very high49 Ų4958.4 Ų58.451%0.50530%0.302SS..SBendtrans158.7-172.4177.100000112.9
122E91.4Very high95.4Very high203 Ų20362.2 Ų62.295%0.94932%0.32SS*.SBendtrans-74.3-27.2-178.3-61.4-177.6165.300113.1I124E122-I124 PolarHBondContact O-N 3.15Å
123K95.3Very high95.2Very high138 Ų13863.6 Ų63.660%0.633%0.327SS*.  trans-74.6123.8179.4-67.2-173-179.6-176.40109.9F125K123-F125 VanDerWaalsContact C-N 3.28Å; K123-F125 PolarHBondContact O-N 3.13Å
124I94.3Very high95Very high33 Ų3365.8 Ų65.817%0.16934%0.339CS..SBendtrans-58-42.7173.5-66.3177000111.6V50 E52 W82 E122 P126V50-I124 HydrophobicContact CB-CG2 4.49Å; V50-I124 HydrophobicContact CG2-CD1 4.47Å; V50-I124 HydrophobicContact CG2-CG2 3.3Å; E52-I124 HydrophobicContact CG-CD1 3.72Å; W82-I124 HydrophobicContact CZ2-CG2 4.25Å; W82-I124 PolarHBondContact NE1-O 3.36Å; E122-I124 PolarHBondContact O-N 3.15Å; I124-P126 WeakPolarHBondContact O-CD 3.39Å
125F95.6Very high94.8Very high87 Ų8768.3 Ų68.338%0.38236%0.355SS..SBendtrans-118.986.9176.2-68.3-82.3000108W82 M118 K123 S127 I133 W305W82-F125 AromaticContact CH2-CE1 3.98Å; W82-F125 HydrophobicContact CH2-CE1 3.98Å; W82-F125 AromaticContact CH2-CZ 3.82Å; W82-F125 HydrophobicContact CH2-CZ 3.82Å; W82-F125 HydrophobicContact CZ2-CD1 4.22Å; W82-F125 AromaticContact CZ2-CE1 3.5Å; W82-F125 HydrophobicContact CZ2-CE1 3.5Å; W82-F125 HydrophobicContact CZ2-CE2 4.2Å; W82-F125 AromaticContact CZ2-CZ 3.48Å; W82-F125 HydrophobicContact CZ2-CZ 3.48Å; W82-F125 VanDerWaalsContact CZ2-CZ 3.48Å; M118-F125 HydrophobicContact CE-CD1 4.27Å; M118-F125 HydrophobicContact CE-CE1 4.46Å; K123-F125 VanDerWaalsContact C-N 3.28Å; K123-F125 PolarHBondContact O-N 3.13Å; F125-S127 PolarHBondContact O-N 3.38Å; F125-I133 HydrophobicContact CB-CD1 3.85Å; F125-I133 HydrophobicContact CD1-CD1 3.95Å; F125-I133 HydrophobicContact CG-CD1 4.41Å; F125-W305 HydrophobicContact CD1-CG 4.41Å; F125-W305 AromaticContact CE1-CD1 3.94Å; F125-W305 HydrophobicContact CE1-CD2 4.04Å; F125-W305 AromaticContact CE1-CE2 3.95Å; F125-W305 HydrophobicContact CE1-CG 4.07Å; F125-W305 AromaticContact CE1-NE1 3.88Å
126P96.4Very high94.5Very high11 Ų1169.2 Ų69.27%0.07136%0.36CS..  trans-68.9116.3177.829.3-33.9000108.8T84 M118 K119 I124 I133 I134T84-P126 HydrophobicContact CG2-CG 4.14Å; M118-P126 HydrophobicContact CB-CG 3.91Å; M118-P126 HydrophobicContact SD-CG 4.4Å; K119-P126 HydrophobicContact CB-CB 4.26Å; K119-P126 HydrophobicContact CB-CG 4.18Å; K119-P126 WeakPolarHBondContact O-CG 3.35Å; I124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-I133 CarbonylContact O-C 3.6Å; P126-I133 WeakPolarHBondContact O-CA 3.46Å; P126-I134 PolarHBondContact O-N 2.93Å
127S94.9Very high94.2Very high42 Ų4276.7 Ų76.729%0.29440%0.4SS..BIsolated β-bridgetrans-120.9151.5179.865.60000112.6F125 E132F125-S127 PolarHBondContact O-N 3.38Å; S127-E132 CarbonylContact C-O 3.53Å; S127-E132 WeakPolarHBondContact CA-O 3.43Å; S127-E132 WeakPolarHBondContact CB-O 3.39Å
128D93.2Very high94Very high59 Ų5977.4 Ų77.432%0.31641%0.405SS..  trans-81.8-172.9173.473.54000112.2N130 N131 E132 I134D128-N130 PolarHBondContact O-N 2.97Å; D128-N130 WeakPolarHBondContact OD1-CA 3.07Å; D128-N130 WeakPolarHBondContact OD1-CB 3.31Å; D128-N130 PolarHBondContact OD1-N 3.27Å; D128-N131 PolarHBondContact O-N 3.4Å; D128-N131 VanDerWaalsContact O-N 3.15Å; D128-N131 PolarHBondContact OD1-N 3.14Å; D128-E132 PolarHBondContact N-O 2.88Å; D128-E132 PolarHBondContact OD1-N 3.28Å; D128-I134 HydrophobicContact CB-CD1 4.3Å; D128-I134 HydrophobicContact CB-CG1 4.02Å
129E94.2Very high93.9Very high181 Ų18181.5 Ų81.585%0.84642%0.421SS*.THydrogen-bonded Turntrans-64.5-18.1178.461.3-172-175.700114.3
130N91.6Very high93.9Very high108 Ų10876.5 Ų76.558%0.57840%0.399SS*.THydrogen-bonded Turntrans-97.38.7177.1-60.2-54.1000112.5D128 E132D128-N130 PolarHBondContact O-N 2.97Å; D128-N130 WeakPolarHBondContact OD1-CA 3.07Å; D128-N130 WeakPolarHBondContact OD1-CB 3.31Å; D128-N130 PolarHBondContact OD1-N 3.27Å; N130-E132 HydrophobicContact CB-CG 4.15Å; N130-E132 PolarHBondContact O-N 3.35Å
131N88.1Confident93.9Very high142 Ų14275.2 Ų75.276%0.75939%0.39SS*.SBendtrans61.624.6-172.1-58.9-59.9000114.1D128D128-N131 PolarHBondContact O-N 3.4Å; D128-N131 VanDerWaalsContact O-N 3.15Å; D128-N131 PolarHBondContact OD1-N 3.14Å
132E91.5Very high94.1Very high80 Ų8077.3 Ų77.337%0.37439%0.389SS..  trans-90.4141.6174.1-56.3-163.1171.900110.4S127 D128 N130 I134 K308S127-E132 CarbonylContact C-O 3.53Å; S127-E132 WeakPolarHBondContact CA-O 3.43Å; S127-E132 WeakPolarHBondContact CB-O 3.39Å; D128-E132 PolarHBondContact N-O 2.88Å; D128-E132 PolarHBondContact OD1-N 3.28Å; N130-E132 HydrophobicContact CB-CG 4.15Å; N130-E132 PolarHBondContact O-N 3.35Å; E132-I134 PolarHBondContact O-N 3.31Å; E132-K308 IonicContact OE1-NZ 3.76Å; E132-K308 PolarHBondContact OE1-NZ 2.87Å; E132-K308 WeakPolarHBondContact OE2-CD 3.49Å; E132-K308 IonicContact OE2-NZ 2.58Å; E132-K308 PolarHBondContact OE2-NZ 3.18Å
133I94.8Very high94.5Very high30 Ų3067.7 Ų67.715%0.15434%0.344CS..BIsolated β-bridgetrans-64.1127.9178.7-67.3-62000110.2M118 F125 P126 C135 W305M118-I133 HydrophobicContact CE-CG2 4.05Å; M118-I133 HydrophobicContact CG-CG2 3.68Å; M118-I133 HydrophobicContact SD-CG2 3.93Å; F125-I133 HydrophobicContact CB-CD1 3.85Å; F125-I133 HydrophobicContact CD1-CD1 3.95Å; F125-I133 HydrophobicContact CG-CD1 4.41Å; P126-I133 CarbonylContact O-C 3.6Å; P126-I133 WeakPolarHBondContact O-CA 3.46Å; I133-C135 PolarHBondContact O-N 3.33Å; I133-W305 HydrophobicContact CD1-CB 4.33Å; I133-W305 HydrophobicContact CG1-CB 3.78Å; I133-W305 HydrophobicContact CG1-CE3 4.41Å; I133-W305 VanDerWaalsContact CG1-O 3.22Å; I133-W305 WeakPolarHBondContact CG1-O 3.33Å
134I95.9Very high94.6Very high56 Ų5661.1 Ų61.129%0.28732%0.316SS..  trans-81108.9172-52.3167.7000107.5K119 P126 D128 E132K119-I134 HydrophobicContact CB-CB 4.1Å; K119-I134 HydrophobicContact CB-CG2 3.83Å; K119-I134 WeakPolarHBondContact CB-O 3.15Å; K119-I134 HydrophobicContact CD-CB 4.4Å; K119-I134 HydrophobicContact CD-CD1 4.45Å; K119-I134 HydrophobicContact CD-CG2 3.79Å; K119-I134 HydrophobicContact CG-CG2 4.42Å; K119-I134 PolarHBondContact N-O 3.18Å; P126-I134 PolarHBondContact O-N 2.93Å; D128-I134 HydrophobicContact CB-CD1 4.3Å; D128-I134 HydrophobicContact CB-CG1 4.02Å; E132-I134 PolarHBondContact O-N 3.31Å
135C93.9Very high94.8Very high53 Ų5360.2 Ų60.236%0.35832%0.315SS..BIsolated β-bridgetrans-82.8157.8178.9-54.50000110.3G117 I133 H309G117-C135 WeakPolarHBondContact O-CA 3.42Å; I133-C135 PolarHBondContact O-N 3.33Å; C135-H309 PolarHBondContact SG-CD2 3.23Å
136D91.9Very high95Very high20 Ų2058.4 Ų58.411%0.10731%0.308CS..  trans-102.1178.2164.973.69.5000110.3V87 G117 S138V87-D136 WeakPolarHBondContact CG2-OD2 3.38Å; G117-D136 VanDerWaalsContact CA-OD1 3.29Å; G117-D136 WeakPolarHBondContact CA-OD1 3.34Å; G117-D136 PolarHBondContact O-N 3.41Å; D136-S138 VanDerWaalsContact C-N 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.4Å; D136-S138 PolarHBondContact OD1-N 3.37Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; D136-S138 PolarHBondContact OD2-OG 3.07Å
137D91.1Very high95.1Very high159 Ų15957.9 Ų57.985%0.8530%0.304SS*.SBendtrans-92.311178-67.8-44.5000112.9
138S92.9Very high95.3Very high16 Ų1656.4 Ų56.411%0.11229%0.293CS..  trans-63149.3-178.969.40000111.1H86 D136H86-S138 WeakPolarHBondContact CB-OG 3.33Å; D136-S138 VanDerWaalsContact C-N 3.31Å; D136-S138 WeakPolarHBondContact OD1-CB 3.4Å; D136-S138 PolarHBondContact OD1-N 3.37Å; D136-S138 PolarHBondContact OD1-OG 2.83Å; D136-S138 PolarHBondContact OD2-OG 3.07Å
139Y95.4Very high95.6Very high85 Ų8558.3 Ų58.333%0.33330%0.298SS..  trans-115.5130.6172.1-174.2-144.1000109.5L141 D142 T143Y139-L141 HydrophobicContact CD1-CB 3.78Å; Y139-L141 HydrophobicContact CD1-CD1 4.33Å; Y139-L141 HydrophobicContact CD1-CG 4.04Å; Y139-L141 HydrophobicContact CE1-CB 3.67Å; Y139-L141 HydrophobicContact CE1-CD1 3.39Å; Y139-L141 HydrophobicContact CE1-CG 3.42Å; Y139-L141 VanDerWaalsContact CE1-CG 3.42Å; Y139-L141 HydrophobicContact CE2-CG 4.38Å; Y139-L141 HydrophobicContact CG-CB 4.5Å; Y139-L141 PolarHBondContact O-N 3.35Å; Y139-D142 PolarHBondContact O-N 3.5Å; Y139-T143 PolarHBondContact O-N 3.02Å; Y139-T143 PolarHBondContact O-OG1 2.99Å
140F97.6Very high95.8Very high4 Ų449.8 Ų49.82%0.01826%0.259CS..Hα-helixtrans-60.1-19.6-174.362.3-102.9000113.5L112 P115 W144 F164 Q168 A171 I172 D311L112-F140 HydrophobicContact CD1-CB 4.19Å; P115-F140 HydrophobicContact CB-CD1 4.11Å; F140-W144 WeakPolarHBondContact O-CB 3.21Å; F140-W144 PolarHBondContact O-N 3.14Å; F140-F164 HydrophobicContact CB-CZ 4.29Å; F140-F164 AromaticContact CD2-CE1 3.83Å; F140-F164 HydrophobicContact CD2-CE1 3.83Å; F140-F164 HydrophobicContact CD2-CZ 4.42Å; F140-F164 HydrophobicContact CE2-CE1 4.22Å; F140-F164 HydrophobicContact CG-CE1 4.11Å; F140-F164 HydrophobicContact CG-CZ 4.34Å; F140-Q168 HydrophobicContact CE1-CG 4.13Å; F140-Q168 HydrophobicContact CE2-CB 4.47Å; F140-Q168 HydrophobicContact CZ-CB 4.03Å; F140-Q168 HydrophobicContact CZ-CG 4.03Å; F140-A171 HydrophobicContact CE2-CB 4.09Å; F140-A171 HydrophobicContact CZ-CB 4.11Å; F140-I172 HydrophobicContact CD2-CD1 4.43Å; F140-I172 HydrophobicContact CD2-CG1 4.22Å; F140-I172 HydrophobicContact CE2-CG1 4.15Å; F140-D311 HydrophobicContact CD1-CB 4.49Å
141L98.1Very high96.1Very high23 Ų2345.8 Ų45.812%0.1224%0.238CC..Hα-helixtrans-70.7-35.4173.2-66.4-167.2000113.1Y139 W144 G145 A171 I172 K175Y139-L141 HydrophobicContact CD1-CB 3.78Å; Y139-L141 HydrophobicContact CD1-CD1 4.33Å; Y139-L141 HydrophobicContact CD1-CG 4.04Å; Y139-L141 HydrophobicContact CE1-CB 3.67Å; Y139-L141 HydrophobicContact CE1-CD1 3.39Å; Y139-L141 HydrophobicContact CE1-CG 3.42Å; Y139-L141 VanDerWaalsContact CE1-CG 3.42Å; Y139-L141 HydrophobicContact CE2-CG 4.38Å; Y139-L141 HydrophobicContact CG-CB 4.5Å; Y139-L141 PolarHBondContact O-N 3.35Å; L141-W144 WeakPolarHBondContact O-CB 3.41Å; L141-W144 PolarHBondContact O-N 2.85Å; L141-G145 PolarHBondContact O-N 3.23Å; L141-G145 VanDerWaalsContact O-N 3.12Å; L141-A171 HydrophobicContact CD1-CB 4.4Å; L141-A171 HydrophobicContact CD2-CB 4.24Å; L141-I172 HydrophobicContact CD2-CB 4.19Å; L141-I172 HydrophobicContact CD2-CG1 3.57Å; L141-K175 HydrophobicContact CB-CD 4.48Å; L141-K175 WeakPolarHBondContact O-CE 3.3Å
142D98.2Very high96.6Very high94 Ų9442.5 Ų42.550%0.50322%0.22SC..Hα-helixtrans-71.2-42.9175.4-60.8-38.1000109.4P88 Y139 W144 G145 E146P88-D142 HydrophobicContact CG-CB 3.98Å; Y139-D142 PolarHBondContact O-N 3.5Å; D142-W144 VanDerWaalsContact C-N 3.29Å; D142-W144 PolarHBondContact O-N 3.41Å; D142-G145 PolarHBondContact O-N 3.5Å; D142-G145 VanDerWaalsContact O-N 3.11Å; D142-E146 PolarHBondContact O-N 3.13Å
143T98.6Very high97Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-57-42.6170.8-44.70000111.4L81 H86 V91 L112 Y139 G145 E146 M147L81-T143 HydrophobicContact CD2-CG2 3.53Å; H86-T143 HydrophobicContact CB-CG2 4.42Å; H86-T143 PolarHBondContact O-OG1 3.41Å; V91-T143 HydrophobicContact CG2-CG2 3.79Å; L112-T143 HydrophobicContact CD1-CG2 3.93Å; L112-T143 HydrophobicContact CG-CG2 4.43Å; Y139-T143 PolarHBondContact O-N 3.02Å; Y139-T143 PolarHBondContact O-OG1 2.99Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.07Å; T143-E146 PolarHBondContact O-N 2.81Å; T143-E146 VanDerWaalsContact O-N 3.12Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 2.87Å
144W98.9Very high97.2Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-59.4-41.2176.3-170.1-97000111.6F140 L141 D142 E146 M147 E148 I159 G160 V161 I172 Y180 P182F140-W144 WeakPolarHBondContact O-CB 3.21Å; F140-W144 PolarHBondContact O-N 3.14Å; L141-W144 WeakPolarHBondContact O-CB 3.41Å; L141-W144 PolarHBondContact O-N 2.85Å; D142-W144 VanDerWaalsContact C-N 3.29Å; D142-W144 PolarHBondContact O-N 3.41Å; W144-E146 PolarHBondContact O-N 3.24Å; W144-M147 WeakPolarHBondContact O-CB 3.3Å; W144-M147 PolarHBondContact O-N 3.39Å; W144-E148 WeakPolarHBondContact O-CG 3.41Å; W144-E148 PolarHBondContact O-N 3.35Å; W144-I159 HydrophobicContact CD2-CD1 4.39Å; W144-I159 HydrophobicContact CH2-CB 4.03Å; W144-I159 HydrophobicContact CH2-CD1 3.75Å; W144-I159 HydrophobicContact CH2-CG1 3.68Å; W144-I159 HydrophobicContact CZ2-CD1 3.44Å; W144-I159 VanDerWaalsContact CZ2-CD1 3.44Å; W144-I159 HydrophobicContact CZ2-CG1 3.69Å; W144-I159 HydrophobicContact CZ3-CD1 4.35Å; W144-G160 WeakPolarHBondContact CZ3-O 3.3Å; W144-V161 HydrophobicContact CE3-CG1 4.23Å; W144-V161 HydrophobicContact CH2-CG1 4.37Å; W144-V161 HydrophobicContact CZ3-CG1 3.66Å; W144-I172 HydrophobicContact CD2-CD1 4.18Å; W144-I172 HydrophobicContact CD2-CG2 3.88Å; W144-I172 HydrophobicContact CE3-CD1 4Å; W144-I172 HydrophobicContact CG-CG1 4.49Å; W144-I172 HydrophobicContact CG-CG2 3.98Å; W144-I172 HydrophobicContact CZ2-CG2 4.24Å; W144-I172 HydrophobicContact CZ3-CD1 4.47Å; W144-Y180 WeakPolarHBondContact CZ2-O 3.47Å; W144-Y180 PolarHBondContact NE1-O 3.34Å; W144-Y180 VanDerWaalsContact NE1-O 3.13Å; W144-P182 HydrophobicContact CH2-CB 3.8Å; W144-P182 HydrophobicContact CH2-CG 3.69Å; W144-P182 HydrophobicContact CZ2-CB 4.15Å; W144-P182 HydrophobicContact CZ2-CG 3.67Å; W144-P182 HydrophobicContact CZ3-CG 4.39Å
145G98.8Very high97.3Very high15 Ų1541.7 Ų41.716%0.15523%0.227CC..Hα-helixtrans-56.7-35.5175.200000113.6L141 D142 T143L141-G145 PolarHBondContact O-N 3.23Å; L141-G145 VanDerWaalsContact O-N 3.12Å; D142-G145 PolarHBondContact O-N 3.5Å; D142-G145 VanDerWaalsContact O-N 3.11Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.07Å
146E98.8Very high97.5Very high49 Ų4939.2 Ų39.223%0.22921%0.21CC..Hα-helixtrans-78.1-34.4174.1-60.7-58.513800112.6P88 V91 D142 T143 W144 E148 K149 L150P88-E146 HydrophobicContact CB-CG 3.62Å; P88-E146 WeakPolarHBondContact O-CG 3.12Å; V91-E146 HydrophobicContact CB-CB 3.75Å; V91-E146 HydrophobicContact CG1-CB 3.82Å; V91-E146 HydrophobicContact CG2-CB 3.9Å; V91-E146 HydrophobicContact CG2-CG 4.45Å; D142-E146 PolarHBondContact O-N 3.13Å; T143-E146 PolarHBondContact O-N 2.81Å; T143-E146 VanDerWaalsContact O-N 3.12Å; W144-E146 PolarHBondContact O-N 3.24Å; E146-E148 PolarHBondContact O-N 2.57Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 2.86Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 IonicContact OE1-NZ 3.56Å; E146-K149 PolarHBondContact OE1-NZ 3.33Å; E146-K149 WeakPolarHBondContact OE2-CD 3.42Å; E146-K149 IonicContact OE2-NZ 3.68Å; E146-K149 PolarHBondContact OE2-NZ 3.36Å; E146-L150 PolarHBondContact O-N 3.03Å
147M98.9Very high97.9Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-59.8-37171.9-65.8-76.9-71.800111.4L81 V91 Y110 T143 W144 K149 L150 I159L81-M147 HydrophobicContact CB-SD 4.31Å; L81-M147 HydrophobicContact CD2-SD 3.95Å; V91-M147 HydrophobicContact CG1-CG 4.23Å; V91-M147 HydrophobicContact CG1-SD 3.94Å; Y110-M147 HydrophobicContact CD1-CE 3.51Å; Y110-M147 HydrophobicContact CD1-SD 3.72Å; Y110-M147 HydrophobicContact CE1-CE 4.27Å; Y110-M147 HydrophobicContact CE1-SD 4.02Å; Y110-M147 HydrophobicContact CG-CE 4.19Å; Y110-M147 WeakPolarHBondContact O-CE 3.12Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 2.87Å; W144-M147 WeakPolarHBondContact O-CB 3.3Å; W144-M147 PolarHBondContact O-N 3.39Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.14Å; M147-L150 WeakPolarHBondContact O-CB 3.41Å; M147-L150 PolarHBondContact O-N 3.33Å; M147-L150 HydrophobicContact SD-CD1 3.92Å; M147-I159 HydrophobicContact CB-CD1 3.96Å; M147-I159 HydrophobicContact CB-CG2 4.28Å; M147-I159 HydrophobicContact CE-CB 4.39Å; M147-I159 HydrophobicContact CE-CG2 4.07Å
148E98.9Very high98.2Very high11 Ų1135.7 Ų35.75%0.05119%0.187CC..Hα-helixtrans-59.9-38.5174.6-67.9-179.8121.300111.9W144 E146 L150 V151 D152 I159 K175 L178 K179 Y180W144-E148 WeakPolarHBondContact O-CG 3.41Å; W144-E148 PolarHBondContact O-N 3.35Å; E146-E148 PolarHBondContact O-N 2.57Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.32Å; E148-V151 WeakPolarHBondContact O-CB 3.28Å; E148-V151 PolarHBondContact O-N 3.32Å; E148-D152 PolarHBondContact O-N 3.41Å; E148-I159 HydrophobicContact CG-CD1 3.99Å; E148-K175 IonicContact OE2-NZ 3.02Å; E148-K175 PolarHBondContact OE2-NZ 3.01Å; E148-L178 WeakPolarHBondContact OE1-CD1 3.33Å; E148-K179 WeakPolarHBondContact OE1-CA 3.49Å; E148-K179 WeakPolarHBondContact OE1-CB 3.28Å; E148-K179 PolarHBondContact OE1-N 3.13Å; E148-Y180 HydrophobicContact CB-CD2 3.88Å; E148-Y180 HydrophobicContact CB-CE2 4.47Å; E148-Y180 HydrophobicContact CG-CD2 4.03Å; E148-Y180 WeakPolarHBondContact O-CE2 3.43Å; E148-Y180 PolarHBondContact OE1-N 3.13Å
149K98.9Very high98.5Very high99 Ų9935.1 Ų35.143%0.4318%0.182SC..Hα-helixtrans-68.7-30.9177.3-60.7178.1-165.6165.10112.8E146 M147 V151 D152 D153E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 2.86Å; E146-K149 VanDerWaalsContact O-N 3.11Å; E146-K149 IonicContact OE1-NZ 3.56Å; E146-K149 PolarHBondContact OE1-NZ 3.33Å; E146-K149 WeakPolarHBondContact OE2-CD 3.42Å; E146-K149 IonicContact OE2-NZ 3.68Å; E146-K149 PolarHBondContact OE2-NZ 3.36Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.14Å; K149-V151 PolarHBondContact O-N 2.91Å; K149-D152 WeakPolarHBondContact O-CB 3.46Å; K149-D152 PolarHBondContact O-N 3.08Å; K149-D152 VanDerWaalsContact O-N 3.12Å; K149-D153 WeakPolarHBondContact O-CB 3.32Å; K149-D153 PolarHBondContact O-N 3.44Å
150L98.9Very high98.7Very high2 Ų231 Ų311%0.0117%0.166CC..Hα-helixtrans-61.8-32.2174.9-54.8179.9000112V91 R92 C95 Y110 E146 M147 E148 G154 L155 V156V91-L150 HydrophobicContact CG1-CD1 3.95Å; V91-L150 HydrophobicContact CG1-CG 4.44Å; R92-L150 HydrophobicContact CB-CD2 4.16Å; R92-L150 HydrophobicContact CG-CD2 4.2Å; C95-L150 HydrophobicContact CB-CD1 3.77Å; C95-L150 HydrophobicContact CB-CD2 4.14Å; Y110-L150 HydrophobicContact CD1-CD1 3.89Å; Y110-L150 HydrophobicContact CE1-CD1 4.13Å; E146-L150 PolarHBondContact O-N 3.03Å; M147-L150 WeakPolarHBondContact O-CB 3.41Å; M147-L150 PolarHBondContact O-N 3.33Å; M147-L150 HydrophobicContact SD-CD1 3.92Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 3.32Å; L150-G154 PolarHBondContact O-N 3.19Å; L150-L155 HydrophobicContact CD2-CD1 4.09Å; L150-L155 PolarHBondContact O-N 2.66Å; L150-L155 VanDerWaalsContact O-N 3.08Å; L150-V156 HydrophobicContact CB-CG1 4.17Å; L150-V156 HydrophobicContact CB-CG2 3.8Å; L150-V156 PolarHBondContact O-N 3.32Å
151V98.8Very high98.8Very high23 Ų2330.9 Ų30.914%0.13917%0.166CC..Hα-helixtrans-69.7-45174.2-176.10000110E148 K149 D153 G154 V156 I159 Y180E148-V151 WeakPolarHBondContact O-CB 3.28Å; E148-V151 PolarHBondContact O-N 3.32Å; K149-V151 PolarHBondContact O-N 2.91Å; V151-D153 VanDerWaalsContact C-N 3.3Å; V151-D153 PolarHBondContact O-N 2.83Å; V151-G154 PolarHBondContact O-N 3.24Å; V151-V156 HydrophobicContact CB-CG2 4.39Å; V151-V156 HydrophobicContact CG2-CG2 3.67Å; V151-I159 HydrophobicContact CG2-CB 4.43Å; V151-I159 HydrophobicContact CG2-CD1 4.23Å; V151-I159 HydrophobicContact CG2-CG1 4.06Å; V151-I159 HydrophobicContact CG2-CG2 3.68Å; V151-Y180 HydrophobicContact CB-CD2 4.06Å; V151-Y180 HydrophobicContact CB-CE2 3.69Å; V151-Y180 HydrophobicContact CG1-CD1 4.27Å; V151-Y180 HydrophobicContact CG1-CD2 4.33Å; V151-Y180 HydrophobicContact CG1-CE1 3.79Å; V151-Y180 HydrophobicContact CG1-CE2 3.85Å; V151-Y180 HydrophobicContact CG2-CD2 4.18Å; V151-Y180 HydrophobicContact CG2-CE2 4.33Å; V151-Y180 HydrophobicContact CG2-CG 4.49Å
152D98.8Very high98.8Very high73 Ų7329.8 Ų29.839%0.3916%0.16SC..Hα-helixtrans-60.3-40.2178.7-67.7-23000112.4E148 K149 G154 K179 Y180E148-D152 PolarHBondContact O-N 3.41Å; K149-D152 WeakPolarHBondContact O-CB 3.46Å; K149-D152 PolarHBondContact O-N 3.08Å; K149-D152 VanDerWaalsContact O-N 3.12Å; D152-G154 PolarHBondContact O-N 3.41Å; D152-K179 WeakPolarHBondContact OD1-CE 3.41Å; D152-K179 IonicContact OD1-NZ 3.61Å; D152-K179 PolarHBondContact OD1-NZ 2.78Å; D152-K179 IonicContact OD2-NZ 2.72Å; D152-K179 PolarHBondContact OD2-NZ 2.93Å; D152-Y180 VanDerWaalsContact OD1-CE2 3.3Å; D152-Y180 WeakPolarHBondContact OD1-CE2 3.37Å; D152-Y180 PolarHBondContact OD1-OH 3.48Å
153D98.7Very high98.8Very high92 Ų9225.4 Ų25.449%0.49214%0.137SC..THydrogen-bonded Turntrans-76.4-6.4177.5-70.8-8.3000112.8R92 K149 V151 L155R92-D153 IonicContact NE-OD2 3.26Å; K149-D153 WeakPolarHBondContact O-CB 3.32Å; K149-D153 PolarHBondContact O-N 3.44Å; V151-D153 VanDerWaalsContact C-N 3.3Å; V151-D153 PolarHBondContact O-N 2.83Å; D153-L155 VanDerWaalsContact C-N 3.25Å; D153-L155 HydrophobicContact CB-CD1 4.47Å; D153-L155 HydrophobicContact CB-CG 4.12Å; D153-L155 PolarHBondContact O-N 3.09Å
154G98.6Very high98.8Very high31 Ų3125.6 Ų25.632%0.3214%0.138SC..THydrogen-bonded Turntrans75.16.7178.500000115.4L150 V151 D152 V156L150-G154 PolarHBondContact O-N 3.19Å; V151-G154 PolarHBondContact O-N 3.24Å; D152-G154 PolarHBondContact O-N 3.41Å; G154-V156 PolarHBondContact O-N 2.71Å
155L98.8Very high98.8Very high27 Ų2726.2 Ų26.214%0.14114%0.141CC..SBendtrans-67.2-27.9176.8-61.4-177.3000112R92 E96 L99 Y106 V107 L150 D153R92-L155 HydrophobicContact CG-CD1 4.48Å; E96-L155 HydrophobicContact CG-CD1 4.31Å; L99-L155 HydrophobicContact CD1-CB 4.06Å; L99-L155 HydrophobicContact CD1-CD2 3.87Å; L99-L155 HydrophobicContact CD1-CG 4.44Å; Y106-L155 WeakPolarHBondContact CA-O 3.36Å; Y106-L155 WeakPolarHBondContact CB-O 3.32Å; V107-L155 PolarHBondContact N-O 2.88Å; L150-L155 HydrophobicContact CD2-CD1 4.09Å; L150-L155 PolarHBondContact O-N 2.66Å; L150-L155 VanDerWaalsContact O-N 3.08Å; D153-L155 VanDerWaalsContact C-N 3.25Å; D153-L155 HydrophobicContact CB-CD1 4.47Å; D153-L155 HydrophobicContact CB-CG 4.12Å; D153-L155 PolarHBondContact O-N 3.09Å
156V98.8Very high98.8Very high1 Ų128.4 Ų28.41%0.00615%0.146CC..BIsolated β-bridgetrans-135.1143.3176.9-47.80000109.9V107 Y110 L150 V151 G154 I159V107-V156 HydrophobicContact CG2-CB 4.19Å; V107-V156 HydrophobicContact CG2-CG1 3.69Å; V107-V156 CarbonylContact O-C 3.36Å; V107-V156 WeakPolarHBondContact O-CA 3.36Å; Y110-V156 HydrophobicContact CD1-CG1 4.37Å; Y110-V156 HydrophobicContact CG-CG1 4.12Å; L150-V156 HydrophobicContact CB-CG1 4.17Å; L150-V156 HydrophobicContact CB-CG2 3.8Å; L150-V156 PolarHBondContact O-N 3.32Å; V151-V156 HydrophobicContact CB-CG2 4.39Å; V151-V156 HydrophobicContact CG2-CG2 3.67Å; G154-V156 PolarHBondContact O-N 2.71Å; V156-I159 HydrophobicContact CG2-CG2 3.62Å
157K98.8Very high98.8Very high100 Ų10031.1 Ų31.144%0.43516%0.162SC..SBendtrans-86.3-28.4179.2-57.6-58-176.9-166.40113.4N11 Y106 V107N11-K157 PolarHBondContact ND2-O 3.25Å; Y106-K157 HydrophobicContact CD2-CD 4.1Å; Y106-K157 VanDerWaalsContact CD2-CE 3.49Å; Y106-K157 HydrophobicContact CD2-CG 3.6Å; Y106-K157 HydrophobicContact CE2-CD 4.36Å; Y106-K157 HydrophobicContact CE2-CG 3.78Å; V107-K157 PolarHBondContact O-N 3.12Å
158A98.9Very high98.8Very high4 Ų431.7 Ų31.73%0.03317%0.165CC..  trans-147.9156.4175.200000110.1L9 D108 L109 Y110 A183L9-A158 HydrophobicContact CD1-CB 3.98Å; D108-A158 PolarHBondContact O-N 2.89Å; L109-A158 WeakPolarHBondContact CA-O 3.38Å; L109-A158 HydrophobicContact CD1-CB 3.96Å; Y110-A158 PolarHBondContact N-O 3.3Å; A158-A183 HydrophobicContact CB-CB 4.17Å
159I98.9Very high98.8Very high4 Ų431.1 Ų31.12%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-122.7149.7172.955.7174000110.8Y110 W144 M147 E148 V151 V156 A183Y110-I159 VanDerWaalsContact O-CA 3.32Å; Y110-I159 WeakPolarHBondContact O-CA 3.32Å; W144-I159 HydrophobicContact CD2-CD1 4.39Å; W144-I159 HydrophobicContact CH2-CB 4.03Å; W144-I159 HydrophobicContact CH2-CD1 3.75Å; W144-I159 HydrophobicContact CH2-CG1 3.68Å; W144-I159 HydrophobicContact CZ2-CD1 3.44Å; W144-I159 VanDerWaalsContact CZ2-CD1 3.44Å; W144-I159 HydrophobicContact CZ2-CG1 3.69Å; W144-I159 HydrophobicContact CZ3-CD1 4.35Å; M147-I159 HydrophobicContact CB-CD1 3.96Å; M147-I159 HydrophobicContact CB-CG2 4.28Å; M147-I159 HydrophobicContact CE-CB 4.39Å; M147-I159 HydrophobicContact CE-CG2 4.07Å; E148-I159 HydrophobicContact CG-CD1 3.99Å; V151-I159 HydrophobicContact CG2-CB 4.43Å; V151-I159 HydrophobicContact CG2-CD1 4.23Å; V151-I159 HydrophobicContact CG2-CG1 4.06Å; V151-I159 HydrophobicContact CG2-CG2 3.68Å; V156-I159 HydrophobicContact CG2-CG2 3.62Å; I159-A183 WeakPolarHBondContact O-CB 3.41Å; I159-A183 PolarHBondContact O-N 3.21Å
160G98.9Very high98.8Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-152.9-169.8179.500000111.6Y110 L111 L112 W144 N184Y110-G160 PolarHBondContact O-N 2.88Å; L111-G160 CarbonylContact C-O 3.47Å; L111-G160 VanDerWaalsContact CA-O 3.31Å; L111-G160 WeakPolarHBondContact CA-O 3.1Å; L111-G160 VanDerWaalsContact CD2-C 3.47Å; L111-G160 VanDerWaalsContact CD2-CA 3.5Å; L112-G160 PolarHBondContact N-O 3.48Å; W144-G160 WeakPolarHBondContact CZ3-O 3.3Å; G160-N184 WeakPolarHBondContact CA-O 3.37Å
161V98.9Very high98.8Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-127.6161.2-178-66.50000110.6L112 W144 F164 I169 I172 P182 N184 N185 Q186L112-V161 HydrophobicContact CB-CG1 4.46Å; W144-V161 HydrophobicContact CE3-CG1 4.23Å; W144-V161 HydrophobicContact CH2-CG1 4.37Å; W144-V161 HydrophobicContact CZ3-CG1 3.66Å; V161-F164 HydrophobicContact CB-CB 4.15Å; V161-F164 HydrophobicContact CB-CD1 4.1Å; V161-F164 HydrophobicContact CB-CD2 3.56Å; V161-F164 HydrophobicContact CB-CE1 4.43Å; V161-F164 HydrophobicContact CB-CE2 3.88Å; V161-F164 HydrophobicContact CB-CG 3.67Å; V161-F164 HydrophobicContact CB-CZ 4.32Å; V161-F164 HydrophobicContact CG1-CD1 3.94Å; V161-F164 HydrophobicContact CG1-CD2 4.08Å; V161-F164 HydrophobicContact CG1-CE1 3.92Å; V161-F164 HydrophobicContact CG1-CE2 4.02Å; V161-F164 HydrophobicContact CG1-CG 4.04Å; V161-F164 HydrophobicContact CG1-CZ 3.95Å; V161-F164 HydrophobicContact CG2-CB 3.89Å; V161-F164 HydrophobicContact CG2-CD1 4.41Å; V161-F164 HydrophobicContact CG2-CD2 4.26Å; V161-F164 HydrophobicContact CG2-CG 3.94Å; V161-I169 HydrophobicContact CG2-CD1 4.2Å; V161-I169 HydrophobicContact CG2-CG1 4.13Å; V161-I172 HydrophobicContact CG1-CD1 3.75Å; V161-P182 HydrophobicContact CG1-CB 4.5Å; V161-P182 HydrophobicContact CG2-CB 4.38Å; V161-N184 PolarHBondContact N-O 3.14Å; V161-N185 HydrophobicContact CG2-CB 4Å; V161-N185 CarbonylContact O-C 3.57Å; V161-N185 VanDerWaalsContact O-CA 3.29Å; V161-N185 WeakPolarHBondContact O-CA 3.44Å; V161-Q186 PolarHBondContact O-N 2.9Å
162S98.9Very high98.8Very high1 Ų128.6 Ų28.61%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-138.6137.9173.3-177.80000109.6L112 H113 F164 Q186L112-S162 PolarHBondContact O-N 2.64Å; H113-S162 CarbonylContact C-O 3.26Å; H113-S162 CarbonylContact O-C 3.48Å; H113-S162 VanDerWaalsContact O-CB 3.3Å; H113-S162 WeakPolarHBondContact O-CB 3.46Å; S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 VanDerWaalsContact O-CD2 3.26Å; S162-F164 WeakPolarHBondContact O-CD2 3.38Å; S162-F164 PolarHBondContact O-N 2.98Å; S162-Q186 CarbonylContact C-O 3.5Å; S162-Q186 WeakPolarHBondContact CA-O 3.41Å; S162-Q186 PolarHBondContact OG-O 2.88Å; S162-Q186 VanDerWaalsContact OG-O 3.06Å
163N98.8Very high98.8Very high2 Ų226.6 Ų26.61%0.01114%0.144CC..SBendtrans60.329.1-174.7-52.9-77.7000114.4H113 F114 Q186 F212 P313 F314H113-N163 PolarHBondContact O-ND2 3.33Å; F114-N163 HydrophobicContact CD1-CB 3.65Å; F114-N163 HydrophobicContact CE1-CB 3.49Å; F114-N163 VanDerWaalsContact CE1-CB 3.49Å; F114-N163 VanDerWaalsContact CE1-CG 3.48Å; F114-N163 HydrophobicContact CE2-CB 4.48Å; F114-N163 WeakPolarHBondContact CE2-ND2 3.42Å; F114-N163 HydrophobicContact CG-CB 4.2Å; F114-N163 HydrophobicContact CZ-CB 3.93Å; F114-N163 WeakPolarHBondContact CZ-ND2 3.33Å; N163-Q186 PolarHBondContact N-O 3.41Å; N163-F212 VanDerWaalsContact OD1-CE1 3.23Å; N163-F212 WeakPolarHBondContact OD1-CE1 3.42Å; N163-F212 WeakPolarHBondContact OD1-CZ 3.31Å; N163-P313 HydrophobicContact CB-CG 4.41Å; N163-P313 WeakPolarHBondContact O-CB 3.37Å; N163-P313 WeakPolarHBondContact O-CG 3.49Å; N163-F314 HydrophobicContact CB-CE1 4.27Å; N163-F314 HydrophobicContact CB-CZ 4.01Å
164F98.8Very high98.8Very high4 Ų427.7 Ų27.72%0.01815%0.149CC..  trans-91.4138.8174.5-81.9-128000110.3L112 P115 F140 V161 S162 Q168 I169 I172 N185L112-F164 HydrophobicContact CB-CE2 4.38Å; L112-F164 HydrophobicContact CB-CZ 4.4Å; L112-F164 HydrophobicContact CD1-CZ 4.15Å; L112-F164 HydrophobicContact CD2-CE2 3.88Å; L112-F164 HydrophobicContact CD2-CZ 3.82Å; L112-F164 HydrophobicContact CG-CZ 4.35Å; P115-F164 HydrophobicContact CB-CD1 4.35Å; P115-F164 HydrophobicContact CB-CD2 4.07Å; P115-F164 HydrophobicContact CB-CE1 3.94Å; P115-F164 HydrophobicContact CB-CE2 3.69Å; P115-F164 HydrophobicContact CB-CG 4.4Å; P115-F164 HydrophobicContact CB-CZ 3.6Å; P115-F164 HydrophobicContact CG-CD2 4.2Å; P115-F164 HydrophobicContact CG-CE2 4.2Å; F140-F164 HydrophobicContact CB-CZ 4.29Å; F140-F164 AromaticContact CD2-CE1 3.83Å; F140-F164 HydrophobicContact CD2-CE1 3.83Å; F140-F164 HydrophobicContact CD2-CZ 4.42Å; F140-F164 HydrophobicContact CE2-CE1 4.22Å; F140-F164 HydrophobicContact CG-CE1 4.11Å; F140-F164 HydrophobicContact CG-CZ 4.34Å; V161-F164 HydrophobicContact CB-CB 4.15Å; V161-F164 HydrophobicContact CB-CD1 4.1Å; V161-F164 HydrophobicContact CB-CD2 3.56Å; V161-F164 HydrophobicContact CB-CE1 4.43Å; V161-F164 HydrophobicContact CB-CE2 3.88Å; V161-F164 HydrophobicContact CB-CG 3.67Å; V161-F164 HydrophobicContact CB-CZ 4.32Å; V161-F164 HydrophobicContact CG1-CD1 3.94Å; V161-F164 HydrophobicContact CG1-CD2 4.08Å; V161-F164 HydrophobicContact CG1-CE1 3.92Å; V161-F164 HydrophobicContact CG1-CE2 4.02Å; V161-F164 HydrophobicContact CG1-CG 4.04Å; V161-F164 HydrophobicContact CG1-CZ 3.95Å; V161-F164 HydrophobicContact CG2-CB 3.89Å; V161-F164 HydrophobicContact CG2-CD1 4.41Å; V161-F164 HydrophobicContact CG2-CD2 4.26Å; V161-F164 HydrophobicContact CG2-CG 3.94Å; S162-F164 VanDerWaalsContact C-N 3.27Å; S162-F164 VanDerWaalsContact O-CD2 3.26Å; S162-F164 WeakPolarHBondContact O-CD2 3.38Å; S162-F164 PolarHBondContact O-N 2.98Å; F164-Q168 HydrophobicContact CB-CB 4.39Å; F164-Q168 HydrophobicContact CD1-CB 3.58Å; F164-Q168 HydrophobicContact CE1-CB 4.24Å; F164-Q168 HydrophobicContact CG-CB 4.28Å; F164-I169 HydrophobicContact CB-CD1 3.94Å; F164-I169 HydrophobicContact CB-CG1 3.89Å; F164-I169 HydrophobicContact CD1-CG1 4.47Å; F164-I172 HydrophobicContact CD1-CD1 4.07Å; F164-I172 HydrophobicContact CE1-CD1 3.7Å; F164-N185 PolarHBondContact O-ND2 2.94Å
165N98.8Very high98.8Very high12 Ų1228.1 Ų28.16%0.06414%0.142CC..  trans-85.6177.9170.16834.2000111.6D167 Q168 I169 P313 A316 Y318N165-D167 PolarHBondContact O-N 3.2Å; N165-D167 PolarHBondContact OD1-N 2.75Å; N165-D167 VanDerWaalsContact OD1-N 3.12Å; N165-Q168 PolarHBondContact ND2-OE1 3.43Å; N165-Q168 WeakPolarHBondContact OD1-CB 3.24Å; N165-Q168 VanDerWaalsContact OD1-CG 3.26Å; N165-Q168 WeakPolarHBondContact OD1-CG 3.2Å; N165-Q168 PolarHBondContact OD1-N 2.87Å; N165-Q168 PolarHBondContact OD1-OE1 3.49Å; N165-I169 PolarHBondContact O-N 2.91Å; N165-I169 VanDerWaalsContact O-N 3.16Å; N165-P313 PolarHBondContact ND2-O 2.88Å; N165-A316 HydrophobicContact CB-CB 3.98Å; N165-A316 WeakPolarHBondContact ND2-CB 3.47Å; N165-Y318 WeakPolarHBondContact CA-OXT 3.34Å
166K98.6Very high98.7Very high62 Ų6232.6 Ų32.627%0.2717%0.173SC..Hα-helixtrans-55.7-50.6179.5174.7-176.2166.1-1650113Q168 I169 E170 M198 Y201 Y318K166-Q168 VanDerWaalsContact C-N 3.32Å; K166-Q168 PolarHBondContact O-N 3.21Å; K166-I169 PolarHBondContact O-N 3.44Å; K166-E170 HydrophobicContact CG-CG 4.38Å; K166-E170 PolarHBondContact O-N 3.33Å; K166-M198 HydrophobicContact CB-SD 4.48Å; K166-Y201 HydrophobicContact CB-CD1 4.32Å; K166-Y201 HydrophobicContact CB-CE1 4.23Å; K166-Y201 HydrophobicContact CD-CD2 4.36Å; K166-Y201 HydrophobicContact CD-CE2 4.37Å; K166-Y201 HydrophobicContact CG-CD1 4.19Å; K166-Y201 HydrophobicContact CG-CD2 4.19Å; K166-Y201 HydrophobicContact CG-CE1 3.92Å; K166-Y201 HydrophobicContact CG-CE2 3.91Å; K166-Y201 HydrophobicContact CG-CG 4.33Å; K166-Y318 HydrophobicContact CB-CD2 4.08Å; K166-Y318 HydrophobicContact CB-CE2 3.95Å; K166-Y318 WeakPolarHBondContact CB-O 3.46Å; K166-Y318 HydrophobicContact CD-CD2 4.43Å; K166-Y318 HydrophobicContact CD-CE2 3.51Å; K166-Y318 WeakPolarHBondContact CD-OH 3.43Å; K166-Y318 HydrophobicContact CG-CE2 4.2Å; K166-Y318 PolarHBondContact N-O 3.15Å; K166-Y318 PolarHBondContact NZ-OH 2.81Å
167D98.6Very high98.6Very high106 Ų10636 Ų3657%0.56721%0.209SC*.Hα-helixtrans-67.1-36.4-171.3-64.8-23.9000111.4N165 E170 A171N165-D167 PolarHBondContact O-N 3.2Å; N165-D167 PolarHBondContact OD1-N 2.75Å; N165-D167 VanDerWaalsContact OD1-N 3.12Å; D167-E170 PolarHBondContact O-N 3.09Å; D167-A171 WeakPolarHBondContact O-CB 3.46Å; D167-A171 PolarHBondContact O-N 2.72Å
168Q98.8Very high98.6Very high11 Ų1133.3 Ų33.35%0.05120%0.199CC..Hα-helixtrans-67.3-37.9174.6-67165.2-27.300112P115 F140 F164 N165 K166 A171 I172 D311P115-Q168 VanDerWaalsContact CG-NE2 3.31Å; F140-Q168 HydrophobicContact CE1-CG 4.13Å; F140-Q168 HydrophobicContact CE2-CB 4.47Å; F140-Q168 HydrophobicContact CZ-CB 4.03Å; F140-Q168 HydrophobicContact CZ-CG 4.03Å; F164-Q168 HydrophobicContact CB-CB 4.39Å; F164-Q168 HydrophobicContact CD1-CB 3.58Å; F164-Q168 HydrophobicContact CE1-CB 4.24Å; F164-Q168 HydrophobicContact CG-CB 4.28Å; N165-Q168 PolarHBondContact ND2-OE1 3.43Å; N165-Q168 WeakPolarHBondContact OD1-CB 3.24Å; N165-Q168 VanDerWaalsContact OD1-CG 3.26Å; N165-Q168 WeakPolarHBondContact OD1-CG 3.2Å; N165-Q168 PolarHBondContact OD1-N 2.87Å; N165-Q168 PolarHBondContact OD1-OE1 3.49Å; K166-Q168 VanDerWaalsContact C-N 3.32Å; K166-Q168 PolarHBondContact O-N 3.21Å; Q168-A171 WeakPolarHBondContact O-CB 3.46Å; Q168-A171 PolarHBondContact O-N 3.2Å; Q168-I172 PolarHBondContact O-N 3.01Å; Q168-D311 PolarHBondContact NE2-O 2.92Å
169I98.9Very high98.6Very high0 Ų038.8 Ų38.80%022%0.222CC..Hα-helixtrans-68.8-42.5172.9-76.5158.4000111.1V161 F164 N165 K166 A171 I172 L173 N185 M198 Y201 I207V161-I169 HydrophobicContact CG2-CD1 4.2Å; V161-I169 HydrophobicContact CG2-CG1 4.13Å; F164-I169 HydrophobicContact CB-CD1 3.94Å; F164-I169 HydrophobicContact CB-CG1 3.89Å; F164-I169 HydrophobicContact CD1-CG1 4.47Å; N165-I169 PolarHBondContact O-N 2.91Å; N165-I169 VanDerWaalsContact O-N 3.16Å; K166-I169 PolarHBondContact O-N 3.44Å; I169-A171 VanDerWaalsContact C-N 3.26Å; I169-A171 PolarHBondContact O-N 2.85Å; I169-I172 PolarHBondContact O-N 3.06Å; I169-I172 VanDerWaalsContact O-N 3.16Å; I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.14Å; I169-L173 WeakPolarHBondContact O-CG 3.3Å; I169-L173 PolarHBondContact O-N 3.25Å; I169-N185 HydrophobicContact CD1-CB 4.25Å; I169-N185 WeakPolarHBondContact CD1-ND2 3.22Å; I169-M198 HydrophobicContact CD1-CE 3.22Å; I169-Y201 HydrophobicContact CB-CE1 4.15Å; I169-Y201 HydrophobicContact CG2-CE1 3.83Å; I169-I207 HydrophobicContact CG2-CD1 3.65Å
170E98.7Very high98.6Very high45 Ų4542 Ų4221%0.2123%0.234CC..Hα-helixtrans-59.5-38.4173.7-75.2-64171.900111.2K166 D167 I172 L173 N174 Y201 K205K166-E170 HydrophobicContact CG-CG 4.38Å; K166-E170 PolarHBondContact O-N 3.33Å; D167-E170 PolarHBondContact O-N 3.09Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 3.11Å; E170-L173 PolarHBondContact O-N 2.92Å; E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 PolarHBondContact O-N 2.99Å; E170-N174 PolarHBondContact O-ND2 2.96Å; E170-N174 PolarHBondContact OE2-ND2 2.91Å; E170-Y201 HydrophobicContact CG-CE2 4.48Å; E170-Y201 WeakPolarHBondContact CG-OH 3.49Å; E170-Y201 WeakPolarHBondContact OE1-CE2 3.32Å; E170-Y201 PolarHBondContact OE1-OH 2.9Å; E170-K205 WeakPolarHBondContact OE1-CE 3.31Å; E170-K205 IonicContact OE1-NZ 2.73Å; E170-K205 PolarHBondContact OE1-NZ 2.95Å; E170-K205 IonicContact OE2-NZ 2.68Å
171A98.6Very high98.6Very high25 Ų2547.9 Ų47.921%0.20726%0.26CS..Hα-helixtrans-58.8-43.2174.800000111.9F140 L141 D167 Q168 I169 K175F140-A171 HydrophobicContact CE2-CB 4.09Å; F140-A171 HydrophobicContact CZ-CB 4.11Å; L141-A171 HydrophobicContact CD1-CB 4.4Å; L141-A171 HydrophobicContact CD2-CB 4.24Å; D167-A171 WeakPolarHBondContact O-CB 3.46Å; D167-A171 PolarHBondContact O-N 2.72Å; Q168-A171 WeakPolarHBondContact O-CB 3.46Å; Q168-A171 PolarHBondContact O-N 3.2Å; I169-A171 VanDerWaalsContact C-N 3.26Å; I169-A171 PolarHBondContact O-N 2.85Å; A171-K175 PolarHBondContact O-N 3.44Å; A171-K175 VanDerWaalsContact O-N 3.14Å
172I98.8Very high98.6Very high0 Ų047.9 Ų47.90%026%0.26CS..Hα-helixtrans-65.8-47.6174.5-65.5169.2000110.7F140 L141 W144 V161 F164 Q168 I169 E170 N174 K175 L178 P182F140-I172 HydrophobicContact CD2-CD1 4.43Å; F140-I172 HydrophobicContact CD2-CG1 4.22Å; F140-I172 HydrophobicContact CE2-CG1 4.15Å; L141-I172 HydrophobicContact CD2-CB 4.19Å; L141-I172 HydrophobicContact CD2-CG1 3.57Å; W144-I172 HydrophobicContact CD2-CD1 4.18Å; W144-I172 HydrophobicContact CD2-CG2 3.88Å; W144-I172 HydrophobicContact CE3-CD1 4Å; W144-I172 HydrophobicContact CG-CG1 4.49Å; W144-I172 HydrophobicContact CG-CG2 3.98Å; W144-I172 HydrophobicContact CZ2-CG2 4.24Å; W144-I172 HydrophobicContact CZ3-CD1 4.47Å; V161-I172 HydrophobicContact CG1-CD1 3.75Å; F164-I172 HydrophobicContact CD1-CD1 4.07Å; F164-I172 HydrophobicContact CE1-CD1 3.7Å; Q168-I172 PolarHBondContact O-N 3.01Å; I169-I172 PolarHBondContact O-N 3.06Å; I169-I172 VanDerWaalsContact O-N 3.16Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 3.11Å; I172-N174 PolarHBondContact O-N 2.85Å; I172-K175 WeakPolarHBondContact O-CB 3.29Å; I172-K175 PolarHBondContact O-N 3.12Å; I172-K175 VanDerWaalsContact O-N 3.07Å; I172-L178 HydrophobicContact CG2-CD1 3.99Å; I172-P182 HydrophobicContact CB-CG 4.38Å; I172-P182 HydrophobicContact CD1-CG 4.31Å; I172-P182 HydrophobicContact CG2-CG 3.73Å
173L98.8Very high98.6Very high32 Ų3247.9 Ų47.917%0.16826%0.26CS..Hα-helixtrans-61.9-28-177.9-68.9178.2000112.9I169 E170 K181 K205 I207I169-L173 HydrophobicContact CG2-CD1 3.88Å; I169-L173 HydrophobicContact CG2-CG 4.14Å; I169-L173 WeakPolarHBondContact O-CG 3.3Å; I169-L173 PolarHBondContact O-N 3.25Å; E170-L173 PolarHBondContact O-N 2.92Å; L173-K181 HydrophobicContact CD2-CB 4.2Å; L173-K181 HydrophobicContact CD2-CD 4.24Å; L173-K181 HydrophobicContact CD2-CG 3.97Å; L173-K205 HydrophobicContact CD1-CB 4.3Å; L173-K205 HydrophobicContact CD1-CD 3.98Å; L173-K205 HydrophobicContact CD1-CG 4.05Å; L173-I207 HydrophobicContact CD1-CD1 4.48Å
174N98.6Very high98.6Very high114 Ų11447.8 Ų47.861%0.6126%0.26SS*.THydrogen-bonded Turntrans-98.13.7178.4-63.4-54.6000113.5E170 I172 P176E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 PolarHBondContact O-N 2.99Å; E170-N174 PolarHBondContact O-ND2 2.96Å; E170-N174 PolarHBondContact OE2-ND2 2.91Å; I172-N174 PolarHBondContact O-N 2.85Å; N174-P176 WeakPolarHBondContact O-CD 3.14Å
175K98.1Very high98.6Very high40 Ų4047.6 Ų47.617%0.17426%0.259CS..  trans-57.3125.6176.3176.4175.6170.2-78.80110.2L141 E148 A171 I172 G177 L178L141-K175 HydrophobicContact CB-CD 4.48Å; L141-K175 WeakPolarHBondContact O-CE 3.3Å; E148-K175 IonicContact OE2-NZ 3.02Å; E148-K175 PolarHBondContact OE2-NZ 3.01Å; A171-K175 PolarHBondContact O-N 3.44Å; A171-K175 VanDerWaalsContact O-N 3.14Å; I172-K175 WeakPolarHBondContact O-CB 3.29Å; I172-K175 PolarHBondContact O-N 3.12Å; I172-K175 VanDerWaalsContact O-N 3.07Å; K175-G177 PolarHBondContact O-N 3.45Å; K175-L178 HydrophobicContact CB-CB 4.48Å; K175-L178 WeakPolarHBondContact O-CB 3.39Å; K175-L178 PolarHBondContact O-N 3.11Å; K175-L178 VanDerWaalsContact O-N 3.11Å
176P97.6Very high98.6Very high121 Ų12147.1 Ų47.179%0.78626%0.256SS*.THydrogen-bonded Turntrans-56.6130.6173.9-26.335.3000111.5N174 L178N174-P176 WeakPolarHBondContact O-CD 3.14Å; P176-L178 VanDerWaalsContact C-N 3.31Å; P176-L178 PolarHBondContact O-N 3.32Å
177G97.7Very high98.6Very high74 Ų7444.5 Ų44.576%0.76325%0.245SC*.THydrogen-bonded Turntrans69.922.5-178.600000114.8K175 K179K175-G177 PolarHBondContact O-N 3.45Å; G177-K179 PolarHBondContact O-N 2.96Å
178L98.7Very high98.6Very high43 Ų4339.4 Ų39.423%0.22522%0.218CC..  trans-51.9121.7172.2-177.672000110.8E148 I172 K175 P176 Y180 K181E148-L178 WeakPolarHBondContact OE1-CD1 3.33Å; I172-L178 HydrophobicContact CG2-CD1 3.99Å; K175-L178 HydrophobicContact CB-CB 4.48Å; K175-L178 WeakPolarHBondContact O-CB 3.39Å; K175-L178 PolarHBondContact O-N 3.11Å; K175-L178 VanDerWaalsContact O-N 3.11Å; P176-L178 VanDerWaalsContact C-N 3.31Å; P176-L178 PolarHBondContact O-N 3.32Å; L178-Y180 WeakPolarHBondContact CD1-O 3.49Å; L178-K181 HydrophobicContact CD2-CG 3.89Å
179K98.4Very high98.6Very high119 Ų11938.9 Ų38.952%0.51722%0.216SC..  trans-98.3-43.5179.4-171.2174.1-177.8177.40111.6E148 D152 G177E148-K179 WeakPolarHBondContact OE1-CA 3.49Å; E148-K179 WeakPolarHBondContact OE1-CB 3.28Å; E148-K179 PolarHBondContact OE1-N 3.13Å; D152-K179 WeakPolarHBondContact OD1-CE 3.41Å; D152-K179 IonicContact OD1-NZ 3.61Å; D152-K179 PolarHBondContact OD1-NZ 2.78Å; D152-K179 IonicContact OD2-NZ 2.72Å; D152-K179 PolarHBondContact OD2-NZ 2.93Å; G177-K179 PolarHBondContact O-N 2.96Å
180Y98.7Very high98.6Very high70 Ų7039 Ų3928%0.27522%0.216SC..SBendtrans-125.4116.9-179.2-57.8-73.2000110.8W144 E148 V151 D152 L178W144-Y180 WeakPolarHBondContact CZ2-O 3.47Å; W144-Y180 PolarHBondContact NE1-O 3.34Å; W144-Y180 VanDerWaalsContact NE1-O 3.13Å; E148-Y180 HydrophobicContact CB-CD2 3.88Å; E148-Y180 HydrophobicContact CB-CE2 4.47Å; E148-Y180 HydrophobicContact CG-CD2 4.03Å; E148-Y180 WeakPolarHBondContact O-CE2 3.43Å; E148-Y180 PolarHBondContact OE1-N 3.13Å; V151-Y180 HydrophobicContact CB-CD2 4.06Å; V151-Y180 HydrophobicContact CB-CE2 3.69Å; V151-Y180 HydrophobicContact CG1-CD1 4.27Å; V151-Y180 HydrophobicContact CG1-CD2 4.33Å; V151-Y180 HydrophobicContact CG1-CE1 3.79Å; V151-Y180 HydrophobicContact CG1-CE2 3.85Å; V151-Y180 HydrophobicContact CG2-CD2 4.18Å; V151-Y180 HydrophobicContact CG2-CE2 4.33Å; V151-Y180 HydrophobicContact CG2-CG 4.49Å; D152-Y180 VanDerWaalsContact OD1-CE2 3.3Å; D152-Y180 WeakPolarHBondContact OD1-CE2 3.37Å; D152-Y180 PolarHBondContact OD1-OH 3.48Å; L178-Y180 WeakPolarHBondContact CD1-O 3.49Å
181K98.6Very high98.6Very high124 Ų12436.9 Ų36.954%0.53921%0.206SC..  trans-69.2144.5171.4-66.8178.6-179.4178.90109.9N10 L173 L178 A183N10-K181 PolarHBondContact ND2-O 3.44Å; N10-K181 VanDerWaalsContact ND2-O 3.11Å; L173-K181 HydrophobicContact CD2-CB 4.2Å; L173-K181 HydrophobicContact CD2-CD 4.24Å; L173-K181 HydrophobicContact CD2-CG 3.97Å; L178-K181 HydrophobicContact CD2-CG 3.89Å; K181-A183 PolarHBondContact O-N 3.02Å; K181-A183 VanDerWaalsContact O-N 3.15Å
182P98.8Very high98.6Very high0 Ų036.4 Ų36.40%020%0.199CC..  trans-53122.9173.4-23.231.2000111.3N10 W144 V161 I172 I207N10-P182 PolarHBondContact ND2-O 3.08Å; N10-P182 VanDerWaalsContact ND2-O 3.08Å; W144-P182 HydrophobicContact CH2-CB 3.8Å; W144-P182 HydrophobicContact CH2-CG 3.69Å; W144-P182 HydrophobicContact CZ2-CB 4.15Å; W144-P182 HydrophobicContact CZ2-CG 3.67Å; W144-P182 HydrophobicContact CZ3-CG 4.39Å; V161-P182 HydrophobicContact CG1-CB 4.5Å; V161-P182 HydrophobicContact CG2-CB 4.38Å; I172-P182 HydrophobicContact CB-CG 4.38Å; I172-P182 HydrophobicContact CD1-CG 4.31Å; I172-P182 HydrophobicContact CG2-CG 3.73Å; P182-I207 HydrophobicContact CB-CD1 4.44Å; P182-I207 WeakPolarHBondContact O-CG1 3.45Å
183A98.9Very high98.5Very high1 Ų136.9 Ų36.91%0.00820%0.202CC..  trans-80.3-25.4-178.200000112.9L9 A158 I159 K181 T208L9-A183 HydrophobicContact CB-CB 4.24Å; L9-A183 HydrophobicContact CD1-CB 4.13Å; L9-A183 HydrophobicContact CD2-CB 4.37Å; L9-A183 HydrophobicContact CG-CB 4.48Å; A158-A183 HydrophobicContact CB-CB 4.17Å; I159-A183 WeakPolarHBondContact O-CB 3.41Å; I159-A183 PolarHBondContact O-N 3.21Å; K181-A183 PolarHBondContact O-N 3.02Å; K181-A183 VanDerWaalsContact O-N 3.15Å; A183-T208 PolarHBondContact O-N 3.27Å; A183-T208 PolarHBondContact O-OG1 3.07Å
184N98.9Very high98.5Very high0 Ų035.5 Ų35.50%019%0.194CC..EExtended strand (participates in β ladder)trans-145.8146-176.4-173.6-103.8000110.6L109 L111 G160 V161 Q186 T208 T210L109-N184 HydrophobicContact CD1-CB 4.43Å; L109-N184 HydrophobicContact CD2-CB 3.83Å; L111-N184 HydrophobicContact CD2-CB 4.43Å; G160-N184 WeakPolarHBondContact CA-O 3.37Å; V161-N184 PolarHBondContact N-O 3.14Å; N184-Q186 PolarHBondContact OD1-N 3.25Å; N184-T208 CarbonylContact C-O 3.45Å; N184-T208 VanDerWaalsContact CA-O 3.24Å; N184-T208 WeakPolarHBondContact CA-O 3.47Å; N184-T208 PolarHBondContact ND2-O 3.01Å; N184-T208 PolarHBondContact ND2-OG1 3.47Å; N184-T210 PolarHBondContact ND2-OG1 3.21Å; N184-T210 PolarHBondContact OD1-OG1 3.24Å
185N98.9Very high98.5Very high0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-116.8116.8159.9-171.814.9000109.2V161 F164 I169 I187 M198 I207 T208 V209 T210V161-N185 HydrophobicContact CG2-CB 4Å; V161-N185 CarbonylContact O-C 3.57Å; V161-N185 VanDerWaalsContact O-CA 3.29Å; V161-N185 WeakPolarHBondContact O-CA 3.44Å; F164-N185 PolarHBondContact O-ND2 2.94Å; I169-N185 HydrophobicContact CD1-CB 4.25Å; I169-N185 WeakPolarHBondContact CD1-ND2 3.22Å; N185-I187 WeakPolarHBondContact ND2-CG2 3.36Å; N185-I187 WeakPolarHBondContact OD1-CG2 3.32Å; N185-M198 VanDerWaalsContact ND2-CE 3.28Å; N185-M198 WeakPolarHBondContact ND2-CE 3.28Å; N185-I207 HydrophobicContact CB-CG2 4.32Å; N185-T208 PolarHBondContact N-O 2.88Å; N185-V209 WeakPolarHBondContact O-CA 3.4Å; N185-T210 PolarHBondContact O-N 2.98Å; N185-T210 VanDerWaalsContact O-N 3.09Å
186Q98.9Very high98.5Very high3 Ų333 Ų331%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-92.6118.9176.1-169.8-178.9108.700109.9D46 L111 V161 S162 N163 N184 T210 F212 I263D46-Q186 PolarHBondContact OD2-NE2 3.16Å; L111-Q186 HydrophobicContact CD1-CB 3.74Å; L111-Q186 HydrophobicContact CD1-CG 4.49Å; V161-Q186 PolarHBondContact O-N 2.9Å; S162-Q186 CarbonylContact C-O 3.5Å; S162-Q186 WeakPolarHBondContact CA-O 3.41Å; S162-Q186 PolarHBondContact OG-O 2.88Å; S162-Q186 VanDerWaalsContact OG-O 3.06Å; N163-Q186 PolarHBondContact N-O 3.41Å; N184-Q186 PolarHBondContact OD1-N 3.25Å; Q186-T210 CarbonylContact C-O 3.39Å; Q186-T210 VanDerWaalsContact CA-O 3.3Å; Q186-T210 WeakPolarHBondContact CA-O 3.23Å; Q186-T210 HydrophobicContact CG-CG2 3.91Å; Q186-F212 HydrophobicContact CG-CB 4.34Å; Q186-F212 HydrophobicContact CG-CD1 4.12Å; Q186-I263 HydrophobicContact CG-CD1 4.32Å
187I98.8Very high98.6Very high6 Ų632.7 Ų32.73%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-137.4156.1-173.461.1179.6000112N185 C189 Q195 M198 V209 T210 A211 F212N185-I187 WeakPolarHBondContact ND2-CG2 3.36Å; N185-I187 WeakPolarHBondContact OD1-CG2 3.32Å; I187-C189 PolarHBondContact O-N 3.06Å; I187-Q195 HydrophobicContact CD1-CB 3.92Å; I187-Q195 HydrophobicContact CD1-CG 3.9Å; I187-M198 HydrophobicContact CD1-CB 4.26Å; I187-M198 HydrophobicContact CD1-CG 4Å; I187-V209 HydrophobicContact CD1-CG1 3.93Å; I187-V209 HydrophobicContact CG1-CG1 3.83Å; I187-T210 PolarHBondContact N-O 2.95Å; I187-A211 WeakPolarHBondContact O-CA 3.35Å; I187-F212 WeakPolarHBondContact O-CD1 3.49Å; I187-F212 PolarHBondContact O-N 2.69Å
188E98.6Very high98.6Very high0 Ų029.2 Ų29.20%013%0.13CC..EExtended strand (participates in β ladder)trans-63.9120.5170.1-172.6173.2-176.800107.9H190 L193 Q195 F212 R299 G300 F301E188-H190 IonicContact OE1-CD2 3.52Å; E188-H190 IonicContact OE1-NE2 3.76Å; E188-H190 PolarHBondContact OE1-NE2 3.39Å; E188-L193 HydrophobicContact CB-CD2 4.06Å; E188-L193 HydrophobicContact CG-CD2 3.94Å; E188-Q195 VanDerWaalsContact O-CG 3.23Å; E188-Q195 WeakPolarHBondContact O-CG 3.23Å; E188-Q195 PolarHBondContact O-NE2 3.16Å; E188-F212 HydrophobicContact CB-CD2 4.24Å; E188-F212 HydrophobicContact CB-CE1 4.16Å; E188-F212 HydrophobicContact CB-CE2 3.53Å; E188-F212 HydrophobicContact CB-CZ 3.48Å; E188-F212 VanDerWaalsContact CB-CZ 3.48Å; E188-F212 HydrophobicContact CG-CE2 4.02Å; E188-F212 HydrophobicContact CG-CZ 4.45Å; E188-F212 VanDerWaalsContact N-CD1 3.34Å; E188-F212 VanDerWaalsContact N-CZ 3.28Å; E188-R299 WeakPolarHBondContact OE2-CG 3.29Å; E188-R299 IonicContact OE2-NH1 2.66Å; E188-G300 VanDerWaalsContact OE1-CA 3.22Å; E188-G300 WeakPolarHBondContact OE1-CA 3.2Å; E188-G300 PolarHBondContact OE1-N 3.04Å; E188-F301 PolarHBondContact OE1-N 3.23Å; E188-F301 WeakPolarHBondContact OE2-CB 3.26Å; E188-F301 PolarHBondContact OE2-N 2.9Å
189C98.6Very high98.6Very high0 Ų027.2 Ų27.20%012%0.119CC..  trans-149.8129.6177.5-171.80000109.8I187 L193 T194 Q195 A211 F212 H255I187-C189 PolarHBondContact O-N 3.06Å; C189-L193 WeakPolarHBondContact CA-O 3.31Å; C189-T194 PolarHBondContact SG-O 2.84Å; C189-T194 VanDerWaalsContact SG-O 3.37Å; C189-Q195 HydrophobicContact CB-CB 4.49Å; C189-Q195 HydrophobicContact CB-CG 4.12Å; C189-A211 HydrophobicContact CB-CB 3.81Å; C189-F212 PolarHBondContact N-O 2.91Å; C189-H255 VanDerWaalsContact C-CE1 3.47Å; C189-H255 PolarHBondContact O-CE1 2.92Å; C189-H255 PolarHBondContact O-NE2 3.41Å; C189-H255 VanDerWaalsContact SG-CE1 3.52Å
190H98.5Very high98.6Very high2 Ų226.2 Ų26.21%0.00912%0.12CC..BIsolated β-bridgetrans-165.2172.5176.452.359.2000108.3E188 Y192 L193 T194 S213 L230 Y298E188-H190 IonicContact OE1-CD2 3.52Å; E188-H190 IonicContact OE1-NE2 3.76Å; E188-H190 PolarHBondContact OE1-NE2 3.39Å; H190-Y192 PolarHBondContact ND1-N 3.48Å; H190-Y192 PolarHBondContact O-N 3.46Å; H190-Y192 VanDerWaalsContact O-N 3.07Å; H190-L193 PolarHBondContact N-O 3.37Å; H190-L193 PolarHBondContact ND1-N 3.21Å; H190-L193 CarbonylContact O-C 3.54Å; H190-L193 WeakPolarHBondContact O-CA 3.5Å; H190-L193 PolarHBondContact O-N 2.92Å; H190-T194 PolarHBondContact O-N 2.92Å; H190-S213 PolarHBondContact CD2-O 3.21Å; H190-L230 HydrophobicContact CB-CD2 3.68Å; H190-Y298 PolarHBondContact CE1-O 2.94Å
191P98.5Very high98.6Very high0 Ų023.8 Ų23.80%011%0.11CC..THydrogen-bonded Turntrans-56.6-28.2-175.5-31.639.5000116.4L193 T194 L230 I236 L251 F254 I291 L294 N295P191-L193 VanDerWaalsContact C-N 3.31Å; P191-L193 PolarHBondContact O-N 3.42Å; P191-T194 WeakPolarHBondContact O-CG2 3.03Å; P191-L230 HydrophobicContact CB-CD1 3.97Å; P191-L230 HydrophobicContact CG-CD1 4.08Å; P191-I236 HydrophobicContact CG-CD1 4.34Å; P191-L251 HydrophobicContact CG-CD2 3.5Å; P191-F254 HydrophobicContact CG-CD1 4.23Å; P191-F254 HydrophobicContact CG-CE1 4.29Å; P191-I291 HydrophobicContact CB-CG2 3.67Å; P191-I291 HydrophobicContact CG-CG2 3.44Å; P191-I291 VanDerWaalsContact CG-CG2 3.44Å; P191-L294 HydrophobicContact CB-CB 4.15Å; P191-L294 HydrophobicContact CB-CD1 4.04Å; P191-L294 CarbonylContact O-C 3.43Å; P191-L294 VanDerWaalsContact O-C 3.26Å; P191-N295 VanDerWaalsContact O-CA 3.26Å; P191-N295 WeakPolarHBondContact O-CA 3.46Å; P191-N295 PolarHBondContact O-N 3Å; P191-N295 VanDerWaalsContact O-N 3.14Å
192Y98.4Very high98.6Very high16 Ų1617.9 Ų17.96%0.0639%0.085CC..THydrogen-bonded Turntrans-79.7-7.6172.9-57.9-34.3000115.3H190 P228 L230 D233 L294 N295 R296 N297 Y298H190-Y192 PolarHBondContact ND1-N 3.48Å; H190-Y192 PolarHBondContact O-N 3.46Å; H190-Y192 VanDerWaalsContact O-N 3.07Å; Y192-P228 HydrophobicContact CD2-CB 4.21Å; Y192-P228 HydrophobicContact CD2-CG 4.19Å; Y192-P228 HydrophobicContact CE2-CB 3.76Å; Y192-P228 HydrophobicContact CE2-CG 4.24Å; Y192-L230 HydrophobicContact CD1-CD1 4.33Å; Y192-L230 HydrophobicContact CD2-CB 4.22Å; Y192-L230 HydrophobicContact CD2-CD1 3.94Å; Y192-L230 HydrophobicContact CE1-CD1 4.19Å; Y192-L230 HydrophobicContact CE2-CB 3.85Å; Y192-L230 HydrophobicContact CE2-CD1 3.74Å; Y192-L230 HydrophobicContact CE2-CG 4.41Å; Y192-L230 HydrophobicContact CG-CD1 4.22Å; Y192-D233 WeakPolarHBondContact OH-CB 3.23Å; Y192-D233 PolarHBondContact OH-OD2 2.84Å; Y192-L294 HydrophobicContact CD1-CB 4.16Å; Y192-L294 WeakPolarHBondContact CD1-O 3.41Å; Y192-L294 HydrophobicContact CE1-CB 4.28Å; Y192-N295 PolarHBondContact O-OD1 2.83Å; Y192-R296 HydrophobicContact CD1-CG 4.35Å; Y192-R296 VanDerWaalsContact CD2-NH2 3.27Å; Y192-R296 HydrophobicContact CG-CG 4.42Å; Y192-R296 PolarHBondContact O-N 2.87Å; Y192-R296 PolarHBondContact OH-NH2 2.56Å; Y192-R296 VanDerWaalsContact OH-NH2 3.16Å; Y192-N297 PolarHBondContact O-N 3.37Å; Y192-Y298 PolarHBondContact O-N 3.26Å
193L98.4Very high98.6Very high10 Ų1021.2 Ų21.25%0.05210%0.1CC..BIsolated β-bridgetrans-147.378.2176.9-172.868.6000109E188 C189 H190 P191 Q195 N295 Y298 R299E188-L193 HydrophobicContact CB-CD2 4.06Å; E188-L193 HydrophobicContact CG-CD2 3.94Å; C189-L193 WeakPolarHBondContact CA-O 3.31Å; H190-L193 PolarHBondContact N-O 3.37Å; H190-L193 PolarHBondContact ND1-N 3.21Å; H190-L193 CarbonylContact O-C 3.54Å; H190-L193 WeakPolarHBondContact O-CA 3.5Å; H190-L193 PolarHBondContact O-N 2.92Å; P191-L193 VanDerWaalsContact C-N 3.31Å; P191-L193 PolarHBondContact O-N 3.42Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 HydrophobicContact CG-CG 4.18Å; L193-Q195 PolarHBondContact O-N 3.18Å; L193-N295 WeakPolarHBondContact CA-OD1 3.14Å; L193-Y298 WeakPolarHBondContact CB-O 3.39Å; L193-R299 HydrophobicContact CD2-CB 4.23Å; L193-R299 HydrophobicContact CD2-CG 4.17Å
194T98.2Very high98.6Very high2 Ų225.4 Ų25.41%0.01213%0.13CC..  trans-74.4-17.8-165.556.30000114.6C189 H190 P191 E196 I199 F254 R258 L292 N295C189-T194 PolarHBondContact SG-O 2.84Å; C189-T194 VanDerWaalsContact SG-O 3.37Å; H190-T194 PolarHBondContact O-N 2.92Å; P191-T194 WeakPolarHBondContact O-CG2 3.03Å; T194-E196 PolarHBondContact O-N 3.43Å; T194-E196 PolarHBondContact OG1-OE2 2.95Å; T194-I199 WeakPolarHBondContact O-CD1 3.42Å; T194-F254 HydrophobicContact CG2-CZ 4.28Å; T194-R258 PolarHBondContact O-NH1 3.11Å; T194-R258 VanDerWaalsContact O-NH1 3.16Å; T194-R258 PolarHBondContact O-NH2 3.14Å; T194-L292 HydrophobicContact CG2-CD2 4.05Å; T194-N295 HydrophobicContact CG2-CB 3.68Å; T194-N295 PolarHBondContact N-OD1 2.97Å
195Q98.4Very high98.6Very high22 Ų2229.1 Ų29.110%0.10315%0.146CC..  trans54.730176-63-84.823.500114.1I187 E188 C189 L193 K197 M198 I199I187-Q195 HydrophobicContact CD1-CB 3.92Å; I187-Q195 HydrophobicContact CD1-CG 3.9Å; E188-Q195 VanDerWaalsContact O-CG 3.23Å; E188-Q195 WeakPolarHBondContact O-CG 3.23Å; E188-Q195 PolarHBondContact O-NE2 3.16Å; C189-Q195 HydrophobicContact CB-CB 4.49Å; C189-Q195 HydrophobicContact CB-CG 4.12Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 HydrophobicContact CG-CG 4.18Å; L193-Q195 PolarHBondContact O-N 3.18Å; Q195-K197 PolarHBondContact O-N 3.46Å; Q195-M198 PolarHBondContact O-N 3Å; Q195-I199 HydrophobicContact CB-CD1 3.92Å; Q195-I199 HydrophobicContact CB-CG1 4.23Å; Q195-I199 WeakPolarHBondContact O-CB 3.38Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.29Å
196E98.4Very high98.6Very high81 Ų8131 Ų3138%0.37917%0.165SC..Hα-helixtrans-56.6-45.3-172.5-72.5173.583.300113.1T194 N200 L292T194-E196 PolarHBondContact O-N 3.43Å; T194-E196 PolarHBondContact OG1-OE2 2.95Å; E196-N200 WeakPolarHBondContact O-CB 3.4Å; E196-N200 PolarHBondContact O-N 3Å; E196-N200 PolarHBondContact O-ND2 3.44Å; E196-L292 HydrophobicContact CG-CD2 4.01Å
197K98.4Very high98.5Very high113 Ų11331 Ų3149%0.49117%0.165SC..Hα-helixtrans-61.1-47.3177.7-65.7-173.4177.4-173.20111.7Q195 Y201 E317 Y318Q195-K197 PolarHBondContact O-N 3.46Å; K197-Y201 VanDerWaalsContact O-CB 3.31Å; K197-Y201 WeakPolarHBondContact O-CB 3.29Å; K197-Y201 PolarHBondContact O-N 3.12Å; K197-E317 VanDerWaalsContact NZ-CD 3.34Å; K197-E317 IonicContact NZ-OE1 3Å; K197-E317 PolarHBondContact NZ-OE1 2.58Å; K197-E317 IonicContact NZ-OE2 3.06Å; K197-Y318 HydrophobicContact CB-CD1 3.88Å; K197-Y318 HydrophobicContact CB-CD2 3.8Å; K197-Y318 HydrophobicContact CB-CE1 4.3Å; K197-Y318 HydrophobicContact CB-CE2 4.18Å; K197-Y318 HydrophobicContact CB-CG 3.63Å; K197-Y318 HydrophobicContact CD-CD1 3.78Å; K197-Y318 HydrophobicContact CD-CE1 4Å; K197-Y318 HydrophobicContact CD-CG 4.37Å; K197-Y318 HydrophobicContact CG-CD1 4.49Å
198M98.7Very high98.6Very high1 Ų131.3 Ų31.31%0.00517%0.167CC..Hα-helixtrans-67.8-40.9-178.1-166.251.7-16900112.7K166 I169 N185 I187 Q195 Y201 C202 Y318K166-M198 HydrophobicContact CB-SD 4.48Å; I169-M198 HydrophobicContact CD1-CE 3.22Å; N185-M198 VanDerWaalsContact ND2-CE 3.28Å; N185-M198 WeakPolarHBondContact ND2-CE 3.28Å; I187-M198 HydrophobicContact CD1-CB 4.26Å; I187-M198 HydrophobicContact CD1-CG 4Å; Q195-M198 PolarHBondContact O-N 3Å; M198-Y201 HydrophobicContact CE-CD1 3.89Å; M198-Y201 HydrophobicContact CE-CE1 4.22Å; M198-Y201 PolarHBondContact O-N 3.21Å; M198-Y201 HydrophobicContact SD-CD1 3.87Å; M198-C202 WeakPolarHBondContact O-CB 3.35Å; M198-C202 PolarHBondContact O-N 2.97Å; M198-Y318 HydrophobicContact CB-CD2 4.42Å; M198-Y318 HydrophobicContact SD-CD2 4.03Å
199I98.7Very high98.6Very high2 Ų231.3 Ų31.31%0.0117%0.167CC..Hα-helixtrans-63.4-48.9177.4-71.6161.8000110.7T194 Q195 Y201 C202 Q203 V209 R258 V260T194-I199 WeakPolarHBondContact O-CD1 3.42Å; Q195-I199 HydrophobicContact CB-CD1 3.92Å; Q195-I199 HydrophobicContact CB-CG1 4.23Å; Q195-I199 WeakPolarHBondContact O-CB 3.38Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.29Å; I199-Y201 VanDerWaalsContact C-N 3.3Å; I199-Y201 PolarHBondContact O-N 3.36Å; I199-C202 PolarHBondContact O-N 2.89Å; I199-Q203 HydrophobicContact CG2-CG 4.38Å; I199-Q203 WeakPolarHBondContact O-CB 3.47Å; I199-Q203 VanDerWaalsContact O-CG 3.28Å; I199-Q203 WeakPolarHBondContact O-CG 3.37Å; I199-Q203 PolarHBondContact O-N 3.2Å; I199-V209 HydrophobicContact CG1-CB 4.37Å; I199-V209 HydrophobicContact CG1-CG1 4.03Å; I199-V209 HydrophobicContact CG1-CG2 4.25Å; I199-R258 VanDerWaalsContact CD1-NH2 3.26Å; I199-V260 HydrophobicContact CD1-CG2 4.01Å; I199-V260 HydrophobicContact CG1-CG2 4.28Å; I199-V260 HydrophobicContact CG2-CG2 3.92Å
200N98.7Very high98.6Very high98 Ų9831.3 Ų31.352%0.52417%0.167SC..Hα-helixtrans-61.8-41.3178.9-69-14.5000111.2E196 S204E196-N200 WeakPolarHBondContact O-CB 3.4Å; E196-N200 PolarHBondContact O-N 3Å; E196-N200 PolarHBondContact O-ND2 3.44Å; N200-S204 WeakPolarHBondContact O-CB 3.38Å; N200-S204 PolarHBondContact O-N 3.34Å
201Y98.8Very high98.6Very high19 Ų1931.2 Ų31.28%0.07517%0.167CC..Hα-helixtrans-60.2-54.4175.2169.5-104.1000111.8K166 I169 E170 K197 M198 I199 Q203 S204 K205K166-Y201 HydrophobicContact CB-CD1 4.32Å; K166-Y201 HydrophobicContact CB-CE1 4.23Å; K166-Y201 HydrophobicContact CD-CD2 4.36Å; K166-Y201 HydrophobicContact CD-CE2 4.37Å; K166-Y201 HydrophobicContact CG-CD1 4.19Å; K166-Y201 HydrophobicContact CG-CD2 4.19Å; K166-Y201 HydrophobicContact CG-CE1 3.92Å; K166-Y201 HydrophobicContact CG-CE2 3.91Å; K166-Y201 HydrophobicContact CG-CG 4.33Å; I169-Y201 HydrophobicContact CB-CE1 4.15Å; I169-Y201 HydrophobicContact CG2-CE1 3.83Å; E170-Y201 HydrophobicContact CG-CE2 4.48Å; E170-Y201 WeakPolarHBondContact CG-OH 3.49Å; E170-Y201 WeakPolarHBondContact OE1-CE2 3.32Å; E170-Y201 PolarHBondContact OE1-OH 2.9Å; K197-Y201 VanDerWaalsContact O-CB 3.31Å; K197-Y201 WeakPolarHBondContact O-CB 3.29Å; K197-Y201 PolarHBondContact O-N 3.12Å; M198-Y201 HydrophobicContact CE-CD1 3.89Å; M198-Y201 HydrophobicContact CE-CE1 4.22Å; M198-Y201 PolarHBondContact O-N 3.21Å; M198-Y201 HydrophobicContact SD-CD1 3.87Å; I199-Y201 VanDerWaalsContact C-N 3.3Å; I199-Y201 PolarHBondContact O-N 3.36Å; Y201-Q203 VanDerWaalsContact C-N 3.34Å; Y201-Q203 PolarHBondContact O-N 3.19Å; Y201-S204 PolarHBondContact O-N 3.33Å; Y201-S204 VanDerWaalsContact O-N 3.16Å; Y201-S204 PolarHBondContact O-OG 3.36Å; Y201-K205 HydrophobicContact CD2-CG 4.46Å; Y201-K205 HydrophobicContact CE2-CD 4.37Å; Y201-K205 HydrophobicContact CE2-CG 3.96Å; Y201-K205 WeakPolarHBondContact O-CG 3.41Å; Y201-K205 PolarHBondContact O-N 3.33Å
202C98.9Very high98.6Very high0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-54-50.2177.4-80.90000111.6M198 I199 S204 K205 G206 I207 V209M198-C202 WeakPolarHBondContact O-CB 3.35Å; M198-C202 PolarHBondContact O-N 2.97Å; I199-C202 PolarHBondContact O-N 2.89Å; C202-S204 VanDerWaalsContact C-N 3.31Å; C202-S204 PolarHBondContact O-N 3.33Å; C202-K205 CarbonylContact O-C 3.53Å; C202-K205 WeakPolarHBondContact O-CA 3.44Å; C202-K205 PolarHBondContact O-N 3.04Å; C202-G206 PolarHBondContact O-N 3.06Å; C202-I207 CarbonylContact C-O 3.48Å; C202-I207 HydrophobicContact CB-CB 4.05Å; C202-I207 HydrophobicContact CB-CG2 4.34Å; C202-I207 WeakPolarHBondContact CB-O 3.46Å; C202-I207 WeakPolarHBondContact O-CA 3.45Å; C202-I207 WeakPolarHBondContact O-CB 3.4Å; C202-I207 PolarHBondContact O-N 3.16Å; C202-V209 HydrophobicContact CB-CG2 3.51Å
203Q98.4Very high98.6Very high69 Ų6932.7 Ų32.732%0.32218%0.176SC..Hα-helixtrans-61.3-38.9-179.3-71176-8.100111.9I199 Y201 K205 G206 I207 R258I199-Q203 HydrophobicContact CG2-CG 4.38Å; I199-Q203 WeakPolarHBondContact O-CB 3.47Å; I199-Q203 VanDerWaalsContact O-CG 3.28Å; I199-Q203 WeakPolarHBondContact O-CG 3.37Å; I199-Q203 PolarHBondContact O-N 3.2Å; Y201-Q203 VanDerWaalsContact C-N 3.34Å; Y201-Q203 PolarHBondContact O-N 3.19Å; Q203-K205 PolarHBondContact O-N 3.46Å; Q203-G206 PolarHBondContact O-N 3.22Å; Q203-I207 PolarHBondContact N-O 3.23Å; Q203-R258 PolarHBondContact NE2-O 3.34Å; Q203-R258 VanDerWaalsContact NE2-O 3.08Å
204S98.4Very high98.5Very high90 Ų9032.4 Ų32.463%0.62918%0.175SC*.Hα-helixtrans-62.8-24.2175.379.40000113.7N200 Y201 C202N200-S204 WeakPolarHBondContact O-CB 3.38Å; N200-S204 PolarHBondContact O-N 3.34Å; Y201-S204 PolarHBondContact O-N 3.33Å; Y201-S204 VanDerWaalsContact O-N 3.16Å; Y201-S204 PolarHBondContact O-OG 3.36Å; C202-S204 VanDerWaalsContact C-N 3.31Å; C202-S204 PolarHBondContact O-N 3.33Å
205K98.6Very high98.5Very high78 Ų7833.5 Ų33.534%0.33918%0.181SC..THydrogen-bonded Turntrans-94.83.4176.6-59.8-65.7-172.5155.40112.9E170 L173 Y201 C202 Q203 I207E170-K205 WeakPolarHBondContact OE1-CE 3.31Å; E170-K205 IonicContact OE1-NZ 2.73Å; E170-K205 PolarHBondContact OE1-NZ 2.95Å; E170-K205 IonicContact OE2-NZ 2.68Å; L173-K205 HydrophobicContact CD1-CB 4.3Å; L173-K205 HydrophobicContact CD1-CD 3.98Å; L173-K205 HydrophobicContact CD1-CG 4.05Å; Y201-K205 HydrophobicContact CD2-CG 4.46Å; Y201-K205 HydrophobicContact CE2-CD 4.37Å; Y201-K205 HydrophobicContact CE2-CG 3.96Å; Y201-K205 WeakPolarHBondContact O-CG 3.41Å; Y201-K205 PolarHBondContact O-N 3.33Å; C202-K205 CarbonylContact O-C 3.53Å; C202-K205 WeakPolarHBondContact O-CA 3.44Å; C202-K205 PolarHBondContact O-N 3.04Å; Q203-K205 PolarHBondContact O-N 3.46Å; K205-I207 VanDerWaalsContact C-N 3.26Å; K205-I207 HydrophobicContact CB-CD1 3.99Å; K205-I207 HydrophobicContact CB-CG1 3.93Å; K205-I207 PolarHBondContact O-N 3.23Å
206G98.3Very high98.2Very high40 Ų4032.9 Ų32.941%0.41218%0.181SC..THydrogen-bonded Turntrans72.617.4-174.200000113.8C202 Q203C202-G206 PolarHBondContact O-N 3.06Å; Q203-G206 PolarHBondContact O-N 3.22Å
207I98.9Very high97.9Very high2 Ų230.3 Ų30.31%0.0117%0.171CC..  trans-93.6123.1178.6-52.4179.6000107.6I169 L173 P182 N185 C202 Q203 K205I169-I207 HydrophobicContact CG2-CD1 3.65Å; L173-I207 HydrophobicContact CD1-CD1 4.48Å; P182-I207 HydrophobicContact CB-CD1 4.44Å; P182-I207 WeakPolarHBondContact O-CG1 3.45Å; N185-I207 HydrophobicContact CB-CG2 4.32Å; C202-I207 CarbonylContact C-O 3.48Å; C202-I207 HydrophobicContact CB-CB 4.05Å; C202-I207 HydrophobicContact CB-CG2 4.34Å; C202-I207 WeakPolarHBondContact CB-O 3.46Å; C202-I207 WeakPolarHBondContact O-CA 3.45Å; C202-I207 WeakPolarHBondContact O-CB 3.4Å; C202-I207 PolarHBondContact O-N 3.16Å; Q203-I207 PolarHBondContact N-O 3.23Å; K205-I207 VanDerWaalsContact C-N 3.26Å; K205-I207 HydrophobicContact CB-CD1 3.99Å; K205-I207 HydrophobicContact CB-CG1 3.93Å; K205-I207 PolarHBondContact O-N 3.23Å
208T98.9Very high97.4Very high12 Ų1227.6 Ų27.67%0.07417%0.165CC..EExtended strand (participates in β ladder)trans-74.2158.2175.662.70000110.6V7 T8 L9 A183 N184 N185V7-T208 HydrophobicContact CB-CG2 4.01Å; V7-T208 HydrophobicContact CG2-CG2 3.93Å; T8-T208 VanDerWaalsContact O-CG2 3.3Å; T8-T208 WeakPolarHBondContact O-CG2 3.41Å; L9-T208 HydrophobicContact CD2-CG2 3.88Å; L9-T208 VanDerWaalsContact CD2-OG1 3.23Å; L9-T208 WeakPolarHBondContact CD2-OG1 3.45Å; A183-T208 PolarHBondContact O-N 3.27Å; A183-T208 PolarHBondContact O-OG1 3.07Å; N184-T208 CarbonylContact C-O 3.45Å; N184-T208 VanDerWaalsContact CA-O 3.24Å; N184-T208 WeakPolarHBondContact CA-O 3.47Å; N184-T208 PolarHBondContact ND2-O 3.01Å; N184-T208 PolarHBondContact ND2-OG1 3.47Å; N185-T208 PolarHBondContact N-O 2.88Å
209V98.9Very high96.8Very high0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans-117.6137.7175.5179.30000110N185 I187 I199 C202 V260 A261N185-V209 WeakPolarHBondContact O-CA 3.4Å; I187-V209 HydrophobicContact CD1-CG1 3.93Å; I187-V209 HydrophobicContact CG1-CG1 3.83Å; I199-V209 HydrophobicContact CG1-CB 4.37Å; I199-V209 HydrophobicContact CG1-CG1 4.03Å; I199-V209 HydrophobicContact CG1-CG2 4.25Å; C202-V209 HydrophobicContact CB-CG2 3.51Å; V209-V260 HydrophobicContact CB-CG1 4.32Å; V209-V260 HydrophobicContact CB-CG2 4.46Å; V209-V260 HydrophobicContact CG1-CG1 4.06Å; V209-A261 PolarHBondContact O-N 3.23Å
210T98.9Very high96.5Very high1 Ų133.6 Ų33.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-114.5122.6169.8-61.10000109.4N184 N185 Q186 I187 F212 A261 I263N184-T210 PolarHBondContact ND2-OG1 3.21Å; N184-T210 PolarHBondContact OD1-OG1 3.24Å; N185-T210 PolarHBondContact O-N 2.98Å; N185-T210 VanDerWaalsContact O-N 3.09Å; Q186-T210 CarbonylContact C-O 3.39Å; Q186-T210 VanDerWaalsContact CA-O 3.3Å; Q186-T210 WeakPolarHBondContact CA-O 3.23Å; Q186-T210 HydrophobicContact CG-CG2 3.91Å; I187-T210 PolarHBondContact N-O 2.95Å; T210-F212 PolarHBondContact O-N 2.98Å; T210-A261 CarbonylContact C-O 3.58Å; T210-A261 VanDerWaalsContact CA-O 3.32Å; T210-A261 WeakPolarHBondContact CA-O 3.47Å; T210-A261 HydrophobicContact CG2-CB 4.38Å; T210-I263 HydrophobicContact CG2-CD1 3.94Å; T210-I263 HydrophobicContact CG2-CG1 3.81Å; T210-I263 HydrophobicContact CG2-CG2 4.01Å
211A98.8Very high96Very high0 Ų032.5 Ų32.50%020%0.195CC..EExtended strand (participates in β ladder)trans-81.7111174.300000110.3I187 C189 V260 A261 I263I187-A211 WeakPolarHBondContact O-CA 3.35Å; C189-A211 HydrophobicContact CB-CB 3.81Å; A211-V260 HydrophobicContact CB-CG1 3.85Å; A211-A261 PolarHBondContact N-O 2.98Å; A211-I263 VanDerWaalsContact O-CG1 3.3Å; A211-I263 WeakPolarHBondContact O-CG1 3.32Å; A211-I263 PolarHBondContact O-N 3.15Å
212F98.6Very high95.6Very high24 Ų2437 Ų3711%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-89.4160162.879.9-108.9000110.6N163 Q186 I187 E188 C189 T210 P214 I263 F301N163-F212 VanDerWaalsContact OD1-CE1 3.23Å; N163-F212 WeakPolarHBondContact OD1-CE1 3.42Å; N163-F212 WeakPolarHBondContact OD1-CZ 3.31Å; Q186-F212 HydrophobicContact CG-CB 4.34Å; Q186-F212 HydrophobicContact CG-CD1 4.12Å; I187-F212 WeakPolarHBondContact O-CD1 3.49Å; I187-F212 PolarHBondContact O-N 2.69Å; E188-F212 HydrophobicContact CB-CD2 4.24Å; E188-F212 HydrophobicContact CB-CE1 4.16Å; E188-F212 HydrophobicContact CB-CE2 3.53Å; E188-F212 HydrophobicContact CB-CZ 3.48Å; E188-F212 VanDerWaalsContact CB-CZ 3.48Å; E188-F212 HydrophobicContact CG-CE2 4.02Å; E188-F212 HydrophobicContact CG-CZ 4.45Å; E188-F212 VanDerWaalsContact N-CD1 3.34Å; E188-F212 VanDerWaalsContact N-CZ 3.28Å; C189-F212 PolarHBondContact N-O 2.91Å; T210-F212 PolarHBondContact O-N 2.98Å; F212-P214 VanDerWaalsContact C-N 3.31Å; F212-I263 HydrophobicContact CB-CD1 4Å; F212-I263 HydrophobicContact CB-CG1 4.26Å; F212-F301 HydrophobicContact CE2-CB 4.31Å; F212-F301 AromaticContact CE2-CD1 3.96Å; F212-F301 HydrophobicContact CE2-CD1 3.96Å; F212-F301 AromaticContact CZ-CD1 3.86Å; F212-F301 HydrophobicContact CZ-CD1 3.86Å
213S97.4Very high95.2Very high22 Ų2239.1 Ų39.115%0.15423%0.229CC..SBendtrans51.739.8-172.2-63.90000114.2H190 L215 G216 S217H190-S213 PolarHBondContact CD2-O 3.21Å; S213-L215 PolarHBondContact O-N 3.29Å; S213-G216 PolarHBondContact O-N 3.38Å; S213-S217 WeakPolarHBondContact CB-OG 3.17Å; S213-S217 PolarHBondContact OG-OG 2.87Å
214P97.6Very high94.8Very high4 Ų438.6 Ų38.63%0.02623%0.233CC..THydrogen-bonded Turntrans-64.4-17.9-173.330.2-37.9000113.7F212 V262 I263 A264F212-P214 VanDerWaalsContact C-N 3.31Å; P214-V262 HydrophobicContact CB-CG2 3.41Å; P214-V262 VanDerWaalsContact CB-CG2 3.41Å; P214-V262 HydrophobicContact CG-CG2 3.51Å; P214-I263 WeakPolarHBondContact CD-O 3.41Å; P214-I263 WeakPolarHBondContact CG-O 3.45Å; P214-A264 HydrophobicContact CG-CB 4.15Å
215L96.9Very high94.3Very high26 Ų2639 Ų3914%0.13624%0.236CC..THydrogen-bonded Turntrans-98.210.4177.3-51.2-175.3000113S213 S217 L231 A248 L251 M252 A264S213-L215 PolarHBondContact O-N 3.29Å; L215-S217 VanDerWaalsContact C-N 3.3Å; L215-S217 PolarHBondContact O-N 3.45Å; L215-L231 HydrophobicContact CB-CD2 4.5Å; L215-L231 HydrophobicContact CD2-CD2 4.45Å; L215-A248 HydrophobicContact CD1-CB 4.16Å; L215-A248 HydrophobicContact CD2-CB 3.92Å; L215-L251 HydrophobicContact CD2-CB 3.94Å; L215-L251 HydrophobicContact CD2-CD1 3.98Å; L215-M252 HydrophobicContact CD2-CG 4.07Å; L215-A264 HydrophobicContact CD1-CB 4.25Å; L215-A264 HydrophobicContact CG-CB 4.47Å
216G93.9Very high93.9Very high9 Ų942.1 Ų42.19%0.09326%0.256CS..  trans80.92.5178.700000115.2S213 R220S213-G216 PolarHBondContact O-N 3.38Å; G216-R220 PolarHBondContact O-NH1 3.34Å
217S90.8Very high93.6Very high26 Ų2642 Ų4218%0.18225%0.246CC..  trans45.859.2178.5-71.30000113.8S213 L215 D219 R220S213-S217 WeakPolarHBondContact CB-OG 3.17Å; S213-S217 PolarHBondContact OG-OG 2.87Å; L215-S217 VanDerWaalsContact C-N 3.3Å; L215-S217 PolarHBondContact O-N 3.45Å; S217-D219 PolarHBondContact O-N 3.45Å; S217-R220 WeakPolarHBondContact O-CD 3.49Å; S217-R220 VanDerWaalsContact O-CG 3.3Å; S217-R220 WeakPolarHBondContact O-CG 3.31Å; S217-R220 PolarHBondContact O-N 3.12Å; S217-R220 PolarHBondContact O-NH1 3.35Å
218P88Confident93.3Very high57 Ų5743.5 Ų43.537%0.3726%0.256SS..THydrogen-bonded Turntrans-61.9-33.4-177.226.9-35.5000112.1R220 A223 L231P218-R220 VanDerWaalsContact C-N 3.29Å; P218-R220 PolarHBondContact O-N 3.42Å; P218-A223 WeakPolarHBondContact O-CB 3.28Å; P218-L231 HydrophobicContact CG-CD1 4.42Å
219D86.6Confident93Very high116 Ų11649.3 Ų49.362%0.6228%0.277SS*.THydrogen-bonded Turntrans-89.930.2-179.4-52.8-38000112.6R24 S217R24-D219 PolarHBondContact NH1-O 3.27Å; S217-D219 PolarHBondContact O-N 3.45Å
220R91.8Very high92.8Very high12 Ų1249.5 Ų49.55%0.04528%0.278CS..  trans-77.5147175.366.4-167-179.9-870.5110.6W23 G216 S217 P218 W222 A223 D227 Y298 G300W23-R220 HydrophobicContact CH2-CB 4.13Å; W23-R220 HydrophobicContact CZ3-CB 4.47Å; G216-R220 PolarHBondContact O-NH1 3.34Å; S217-R220 WeakPolarHBondContact O-CD 3.49Å; S217-R220 VanDerWaalsContact O-CG 3.3Å; S217-R220 WeakPolarHBondContact O-CG 3.31Å; S217-R220 PolarHBondContact O-N 3.12Å; S217-R220 PolarHBondContact O-NH1 3.35Å; P218-R220 VanDerWaalsContact C-N 3.29Å; P218-R220 PolarHBondContact O-N 3.42Å; R220-W222 HydrophobicContact CB-CZ2 4.06Å; R220-W222 VanDerWaalsContact CD-NE1 3.34Å; R220-W222 HydrophobicContact CG-CD2 4.44Å; R220-W222 HydrophobicContact CG-CG 4.48Å; R220-W222 HydrophobicContact CG-CZ2 4.41Å; R220-W222 PolarHBondContact O-N 3.11Å; R220-W222 VanDerWaalsContact O-N 3.08Å; R220-A223 HydrophobicContact CG-CB 3.83Å; R220-A223 WeakPolarHBondContact O-CB 3.4Å; R220-A223 PolarHBondContact O-N 3.37Å; R220-D227 IonicContact CZ-OD2 2.98Å; R220-D227 VanDerWaalsContact NH2-CB 3.34Å; R220-D227 IonicContact NH2-OD1 2.74Å; R220-D227 IonicContact NH2-OD2 2.69Å; R220-D227 PolarHBondContact NH2-OD2 2.93Å; R220-Y298 PolarHBondContact NH2-OH 3.07Å; R220-G300 WeakPolarHBondContact CD-O 3.36Å; R220-G300 PolarHBondContact NE-O 3.08Å
221P89.4Confident92.7Very high75 Ų7552.1 Ų52.149%0.48729%0.291SS..THydrogen-bonded Turntrans-57.2-27.3-175.3-20.524000115.5W23W23-P221 VanDerWaalsContact CH2-CD 3.42Å; W23-P221 HydrophobicContact CH2-CG 4.3Å; W23-P221 HydrophobicContact CZ2-CG 4.29Å
222W89.8Confident92.6Very high115 Ų11557.6 Ų57.644%0.43632%0.317SS..THydrogen-bonded Turntrans-104.818.6-178.758.183.1000112.8W23 R220 G300 F301W23-W222 HydrophobicContact CH2-CH2 4.29Å; W23-W222 HydrophobicContact CZ2-CH2 4.34Å; R220-W222 HydrophobicContact CB-CZ2 4.06Å; R220-W222 VanDerWaalsContact CD-NE1 3.34Å; R220-W222 HydrophobicContact CG-CD2 4.44Å; R220-W222 HydrophobicContact CG-CG 4.48Å; R220-W222 HydrophobicContact CG-CZ2 4.41Å; R220-W222 PolarHBondContact O-N 3.11Å; R220-W222 VanDerWaalsContact O-N 3.08Å; W222-G300 PolarHBondContact NE1-O 2.83Å; W222-F301 AromaticContact CH2-CD2 3.55Å; W222-F301 HydrophobicContact CH2-CD2 3.55Å; W222-F301 AromaticContact CH2-CE2 3.62Å; W222-F301 HydrophobicContact CH2-CE2 3.62Å; W222-F301 HydrophobicContact CZ2-CB 4.28Å; W222-F301 AromaticContact CZ2-CD2 3.2Å; W222-F301 HydrophobicContact CZ2-CD2 3.2Å; W222-F301 AromaticContact CZ2-CE2 3.8Å; W222-F301 HydrophobicContact CZ2-CE2 3.8Å; W222-F301 HydrophobicContact CZ2-CG 4.07Å; W222-F301 HydrophobicContact CZ3-CE2 4.48Å
223A90.1Very high92.6Very high43 Ų4357.7 Ų57.736%0.35532%0.318SS..  trans-66137.3171.900000110.6P218 R220 D227P218-A223 WeakPolarHBondContact O-CB 3.28Å; R220-A223 HydrophobicContact CG-CB 3.83Å; R220-A223 WeakPolarHBondContact O-CB 3.4Å; R220-A223 PolarHBondContact O-N 3.37Å; A223-D227 WeakPolarHBondContact CA-OD2 3.34Å
224S90.3Very high92.6Very high58 Ų5860.3 Ų60.341%0.40634%0.341SS..  trans-99.1157.8167.2-178.40000110.7D226 D227S224-D226 PolarHBondContact O-N 3Å; S224-D226 PolarHBondContact OG-N 2.92Å; S224-D227 PolarHBondContact N-OD2 2.9Å; S224-D227 WeakPolarHBondContact O-CB 3.34Å; S224-D227 PolarHBondContact O-N 2.51Å; S224-D227 VanDerWaalsContact O-N 3.14Å
225S88.3Confident92.7Very high100 Ų10062.3 Ų62.370%0.69935%0.354SS*.THydrogen-bonded Turntrans-59.5-26.916850.80000112.9D227S225-D227 VanDerWaalsContact C-N 3.27Å
226D89.8Confident92.8Very high142 Ų14261.1 Ų61.176%0.75935%0.347SS*.THydrogen-bonded Turntrans-81.8-10.3-179.6-52.7-35.8000112.5S224S224-D226 PolarHBondContact O-N 3Å; S224-D226 PolarHBondContact OG-N 2.92Å
227D92.1Very high93Very high39 Ų3964.5 Ų64.521%0.20936%0.363CS..SBendtrans-69.8137.6178.9-76.8-41.2000110.7R220 A223 S224 S225 R229 Y298R220-D227 IonicContact CZ-OD2 2.98Å; R220-D227 VanDerWaalsContact NH2-CB 3.34Å; R220-D227 IonicContact NH2-OD1 2.74Å; R220-D227 IonicContact NH2-OD2 2.69Å; R220-D227 PolarHBondContact NH2-OD2 2.93Å; A223-D227 WeakPolarHBondContact CA-OD2 3.34Å; S224-D227 PolarHBondContact N-OD2 2.9Å; S224-D227 WeakPolarHBondContact O-CB 3.34Å; S224-D227 PolarHBondContact O-N 2.51Å; S224-D227 VanDerWaalsContact O-N 3.14Å; S225-D227 VanDerWaalsContact C-N 3.27Å; D227-R229 PolarHBondContact O-N 3.09Å; D227-Y298 WeakPolarHBondContact CB-OH 3.2Å; D227-Y298 PolarHBondContact OD1-OH 3.47Å
228P91.8Very high93.4Very high33 Ų3366.1 Ų66.121%0.21438%0.378CS..  trans-65.5139.5-179.127.2-36.1000112.5Y192 Y298Y192-P228 HydrophobicContact CD2-CB 4.21Å; Y192-P228 HydrophobicContact CD2-CG 4.19Å; Y192-P228 HydrophobicContact CE2-CB 3.76Å; Y192-P228 HydrophobicContact CE2-CG 4.24Å; P228-Y298 VanDerWaalsContact CD-CZ 3.48Å; P228-Y298 HydrophobicContact CG-CD1 3.86Å; P228-Y298 HydrophobicContact CG-CD2 4.07Å; P228-Y298 HydrophobicContact CG-CE1 3.68Å; P228-Y298 HydrophobicContact CG-CE2 3.88Å; P228-Y298 HydrophobicContact CG-CG 4.05Å
229R93.7Very high93.9Very high134 Ų13463.9 Ų63.951%0.50636%0.362SS..  trans-101.999.6-179.9-62.9-173.6-177.7-171.63.2110.8D227 L231 E232 D233D227-R229 PolarHBondContact O-N 3.09Å; R229-L231 VanDerWaalsContact C-N 3.29Å; R229-L231 PolarHBondContact O-N 3.08Å; R229-E232 HydrophobicContact CB-CB 4Å; R229-E232 HydrophobicContact CB-CG 4.08Å; R229-E232 WeakPolarHBondContact CD-OE1 3.19Å; R229-E232 WeakPolarHBondContact CD-OE2 3.41Å; R229-E232 IonicContact CZ-OE1 2.65Å; R229-E232 IonicContact NE-OE1 3.68Å; R229-E232 IonicContact NH1-OE1 3.9Å; R229-E232 PolarHBondContact NH1-OE1 3.11Å; R229-E232 IonicContact NH1-OE2 2.75Å; R229-E232 CarbonylContact O-C 3.49Å; R229-E232 PolarHBondContact O-N 3.12Å; R229-D233 PolarHBondContact O-N 3.4Å
230L94.5Very high94.5Very high4 Ų458.5 Ų58.52%0.02133%0.334CS..G310 helixtrans-61.5-35-176.1-178.764.4000113.5H190 P191 Y192 E232 D233 I236 L251H190-L230 HydrophobicContact CB-CD2 3.68Å; P191-L230 HydrophobicContact CB-CD1 3.97Å; P191-L230 HydrophobicContact CG-CD1 4.08Å; Y192-L230 HydrophobicContact CD1-CD1 4.33Å; Y192-L230 HydrophobicContact CD2-CB 4.22Å; Y192-L230 HydrophobicContact CD2-CD1 3.94Å; Y192-L230 HydrophobicContact CE1-CD1 4.19Å; Y192-L230 HydrophobicContact CE2-CB 3.85Å; Y192-L230 HydrophobicContact CE2-CD1 3.74Å; Y192-L230 HydrophobicContact CE2-CG 4.41Å; Y192-L230 HydrophobicContact CG-CD1 4.22Å; L230-E232 PolarHBondContact O-N 2.9Å; L230-D233 WeakPolarHBondContact O-CB 3.26Å; L230-D233 PolarHBondContact O-N 3.13Å; L230-I236 HydrophobicContact CD1-CG1 4.44Å; L230-L251 HydrophobicContact CD1-CD2 3.9Å; L230-L251 HydrophobicContact CD2-CD1 3.84Å; L230-L251 HydrophobicContact CD2-CD2 3.86Å; L230-L251 HydrophobicContact CD2-CG 4.45Å; L230-L251 HydrophobicContact CG-CD1 3.73Å; L230-L251 HydrophobicContact CG-CD2 3.73Å; L230-L251 HydrophobicContact CG-CG 4.4Å
231L96.7Very high94.8Very high56 Ų5666.6 Ų66.629%0.29337%0.37SS..G310 helixtrans-69.3-16.6176.3-69.9168.7000113.4L215 P218 R229 P247 A248 L251L215-L231 HydrophobicContact CB-CD2 4.5Å; L215-L231 HydrophobicContact CD2-CD2 4.45Å; P218-L231 HydrophobicContact CG-CD1 4.42Å; R229-L231 VanDerWaalsContact C-N 3.29Å; R229-L231 PolarHBondContact O-N 3.08Å; L231-P247 HydrophobicContact CD2-CB 4.05Å; L231-A248 HydrophobicContact CD2-CB 4.05Å; L231-L251 HydrophobicContact CD2-CD1 3.72Å; L231-L251 HydrophobicContact CG-CD1 4.39Å
232E97.1Very high95.2Very high115 Ų11568.9 Ų68.954%0.53737%0.372SS..G310 helixtrans-1083.7-179.6-59.6176.1-15900112R229 L230 A234 L237R229-E232 HydrophobicContact CB-CB 4Å; R229-E232 HydrophobicContact CB-CG 4.08Å; R229-E232 WeakPolarHBondContact CD-OE1 3.19Å; R229-E232 WeakPolarHBondContact CD-OE2 3.41Å; R229-E232 IonicContact CZ-OE1 2.65Å; R229-E232 IonicContact NE-OE1 3.68Å; R229-E232 IonicContact NH1-OE1 3.9Å; R229-E232 PolarHBondContact NH1-OE1 3.11Å; R229-E232 IonicContact NH1-OE2 2.75Å; R229-E232 CarbonylContact O-C 3.49Å; R229-E232 PolarHBondContact O-N 3.12Å; L230-E232 PolarHBondContact O-N 2.9Å; E232-A234 PolarHBondContact O-N 3.39Å; E232-L237 WeakPolarHBondContact O-CD1 3.16Å
233D98.1Very high95.6Very high25 Ų2565.8 Ų65.813%0.13436%0.361CS..  trans-62.1128.5178.4-179.6-82.1000110.7Y192 R229 L230 T235 I236 L237Y192-D233 WeakPolarHBondContact OH-CB 3.23Å; Y192-D233 PolarHBondContact OH-OD2 2.84Å; R229-D233 PolarHBondContact O-N 3.4Å; L230-D233 WeakPolarHBondContact O-CB 3.26Å; L230-D233 PolarHBondContact O-N 3.13Å; D233-T235 PolarHBondContact O-N 3.21Å; D233-T235 VanDerWaalsContact OD1-CA 3.31Å; D233-T235 WeakPolarHBondContact OD1-CA 3.3Å; D233-T235 WeakPolarHBondContact OD1-CB 3.26Å; D233-T235 PolarHBondContact OD1-N 2.78Å; D233-T235 PolarHBondContact OD1-OG1 3.4Å; D233-I236 HydrophobicContact CB-CB 4.11Å; D233-I236 HydrophobicContact CB-CG1 3.85Å; D233-I236 PolarHBondContact O-N 2.74Å; D233-I236 VanDerWaalsContact O-N 3.13Å; D233-I236 PolarHBondContact OD1-N 3.06Å; D233-I236 VanDerWaalsContact OD1-N 3.07Å; D233-L237 WeakPolarHBondContact O-CB 3.49Å; D233-L237 WeakPolarHBondContact O-CG 3.23Å; D233-L237 PolarHBondContact O-N 3.34Å
234A98.3Very high96Very high77 Ų7771 Ų7164%0.63638%0.383SS*.Hα-helixtrans-60.2-34-17500000113E232 A238E232-A234 PolarHBondContact O-N 3.39Å; A234-A238 WeakPolarHBondContact O-CB 2.96Å; A234-A238 PolarHBondContact O-N 2.99Å
235T98.4Very high96.4Very high47 Ų4769.8 Ų69.829%0.28837%0.37SS..Hα-helixtrans-69.3-46.1177-49.80000110.2D233 L237 A238 I239 T290 L294D233-T235 PolarHBondContact O-N 3.21Å; D233-T235 VanDerWaalsContact OD1-CA 3.31Å; D233-T235 WeakPolarHBondContact OD1-CA 3.3Å; D233-T235 WeakPolarHBondContact OD1-CB 3.26Å; D233-T235 PolarHBondContact OD1-N 2.78Å; D233-T235 PolarHBondContact OD1-OG1 3.4Å; T235-L237 PolarHBondContact O-N 2.85Å; T235-A238 PolarHBondContact O-N 3.23Å; T235-I239 HydrophobicContact CG2-CD1 4.18Å; T235-I239 WeakPolarHBondContact O-CG1 3.13Å; T235-I239 PolarHBondContact O-N 2.76Å; T235-T290 HydrophobicContact CG2-CG2 3.37Å; T235-L294 HydrophobicContact CG2-CD1 4.43Å; T235-L294 HydrophobicContact CG2-CD2 4.38Å
236I98.7Very high96.9Very high0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-62.9-43176.6-59.1-57.8000110.9P191 L230 D233 A238 I239 A240 P247 V250 L251 I291 L294P191-I236 HydrophobicContact CG-CD1 4.34Å; L230-I236 HydrophobicContact CD1-CG1 4.44Å; D233-I236 HydrophobicContact CB-CB 4.11Å; D233-I236 HydrophobicContact CB-CG1 3.85Å; D233-I236 PolarHBondContact O-N 2.74Å; D233-I236 VanDerWaalsContact O-N 3.13Å; D233-I236 PolarHBondContact OD1-N 3.06Å; D233-I236 VanDerWaalsContact OD1-N 3.07Å; I236-A238 PolarHBondContact O-N 3.08Å; I236-I239 PolarHBondContact O-N 3Å; I236-A240 VanDerWaalsContact O-CB 3.22Å; I236-A240 WeakPolarHBondContact O-CB 3.43Å; I236-A240 PolarHBondContact O-N 3.37Å; I236-P247 HydrophobicContact CG2-CB 3.89Å; I236-V250 HydrophobicContact CG2-CG1 4.39Å; I236-L251 HydrophobicContact CD1-CD2 3.8Å; I236-L251 HydrophobicContact CG1-CD2 4.01Å; I236-L251 HydrophobicContact CG2-CD2 4.05Å; I236-L251 HydrophobicContact CG2-CG 4.07Å; I236-I291 HydrophobicContact CD1-CG1 4.05Å; I236-I291 HydrophobicContact CD1-CG2 4.33Å; I236-L294 HydrophobicContact CD1-CD1 3.73Å; I236-L294 HydrophobicContact CG1-CD1 4.01Å
237L98.8Very high97.3Very high81 Ų8160.5 Ų60.542%0.42432%0.316SS..Hα-helixtrans-61.8-42.2176.3-72.7168000112.1E232 D233 T235 A240 K241 P247E232-L237 WeakPolarHBondContact O-CD1 3.16Å; D233-L237 WeakPolarHBondContact O-CB 3.49Å; D233-L237 WeakPolarHBondContact O-CG 3.23Å; D233-L237 PolarHBondContact O-N 3.34Å; T235-L237 PolarHBondContact O-N 2.85Å; L237-A240 PolarHBondContact O-N 3.47Å; L237-K241 WeakPolarHBondContact O-CB 3.35Å; L237-K241 PolarHBondContact O-N 3.41Å; L237-P247 HydrophobicContact CD2-CG 3.64Å
238A98.8Very high97.6Very high60 Ų6059.1 Ų59.150%0.49631%0.31SS..Hα-helixtrans-63.8-43.8177.300000112A234 T235 I236 K241 K242A234-A238 WeakPolarHBondContact O-CB 2.96Å; A234-A238 PolarHBondContact O-N 2.99Å; T235-A238 PolarHBondContact O-N 3.23Å; I236-A238 PolarHBondContact O-N 3.08Å; A238-K241 PolarHBondContact O-N 2.87Å; A238-K242 PolarHBondContact O-N 3.34Å
239I98.8Very high97.9Very high9 Ų958 Ų585%0.04630%0.301CS..Hα-helixtrans-65.8-43.1175.8-65.6169.6000110.3T235 I236 K241 K242 Y243 V250 L283 D287 T290 I291T235-I239 HydrophobicContact CG2-CD1 4.18Å; T235-I239 WeakPolarHBondContact O-CG1 3.13Å; T235-I239 PolarHBondContact O-N 2.76Å; I236-I239 PolarHBondContact O-N 3Å; I239-K241 VanDerWaalsContact C-N 3.31Å; I239-K241 PolarHBondContact O-N 2.69Å; I239-K242 WeakPolarHBondContact O-CB 3.36Å; I239-K242 PolarHBondContact O-N 2.98Å; I239-K242 VanDerWaalsContact O-N 3.12Å; I239-Y243 HydrophobicContact CG2-CD2 3.85Å; I239-Y243 HydrophobicContact CG2-CE2 3.94Å; I239-Y243 VanDerWaalsContact O-CD2 3.3Å; I239-Y243 WeakPolarHBondContact O-CD2 3.02Å; I239-Y243 PolarHBondContact O-N 2.71Å; I239-V250 HydrophobicContact CB-CG1 4.32Å; I239-V250 HydrophobicContact CG2-CG1 3.74Å; I239-V250 HydrophobicContact CG2-CG2 4.14Å; I239-L283 HydrophobicContact CG2-CD2 3.72Å; I239-D287 HydrophobicContact CD1-CB 4.25Å; I239-D287 HydrophobicContact CG2-CB 4.42Å; I239-T290 HydrophobicContact CD1-CG2 4.36Å; I239-I291 HydrophobicContact CD1-CD1 3.92Å; I239-I291 HydrophobicContact CD1-CG1 3.58Å
240A98.7Very high98.2Very high3 Ų351.6 Ų51.63%0.02528%0.277CS..Hα-helixtrans-57-45.3176.700000111.5I236 L237 K242 Y243 N244 K245 P247 V250I236-A240 VanDerWaalsContact O-CB 3.22Å; I236-A240 WeakPolarHBondContact O-CB 3.43Å; I236-A240 PolarHBondContact O-N 3.37Å; L237-A240 PolarHBondContact O-N 3.47Å; A240-K242 PolarHBondContact O-N 3.44Å; A240-Y243 PolarHBondContact O-N 3.22Å; A240-N244 PolarHBondContact O-N 3.49Å; A240-N244 VanDerWaalsContact O-N 3.09Å; A240-K245 CarbonylContact C-O 3.18Å; A240-K245 WeakPolarHBondContact CB-O 3.13Å; A240-K245 PolarHBondContact O-N 3.29Å; A240-P247 HydrophobicContact CB-CG 4.29Å; A240-V250 HydrophobicContact CB-CG2 3.86Å
241K98.7Very high98.4Very high182 Ų18251.4 Ų51.479%0.79128%0.276SS*.Hα-helixtrans-60.9-44174.2-175.6178.6178.5-179.40112.5L237 A238 I239 Y243 N244L237-K241 WeakPolarHBondContact O-CB 3.35Å; L237-K241 PolarHBondContact O-N 3.41Å; A238-K241 PolarHBondContact O-N 2.87Å; I239-K241 VanDerWaalsContact C-N 3.31Å; I239-K241 PolarHBondContact O-N 2.69Å; K241-Y243 PolarHBondContact O-N 3.29Å; K241-N244 PolarHBondContact O-N 3Å
242K98.6Very high98.5Very high123 Ų12348.8 Ų48.854%0.53526%0.262SS..Hα-helixtrans-55.3-38.4178175.7-175.7176.6-174.70112.3A238 I239 A240 D287A238-K242 PolarHBondContact O-N 3.34Å; I239-K242 WeakPolarHBondContact O-CB 3.36Å; I239-K242 PolarHBondContact O-N 2.98Å; I239-K242 VanDerWaalsContact O-N 3.12Å; A240-K242 PolarHBondContact O-N 3.44Å; K242-D287 IonicContact NZ-OD1 2.93Å; K242-D287 PolarHBondContact NZ-OD1 2.94Å; K242-D287 IonicContact NZ-OD2 3.84Å; K242-D287 PolarHBondContact NZ-OD2 2.81Å
243Y98.4Very high98.5Very high51 Ų5144.7 Ų44.720%0.224%0.242CC..Hα-helixtrans-96-0.5-177.6-71.9-75.6000114.7I239 A240 K241 K245 F281 E282 L283 S284 D287I239-Y243 HydrophobicContact CG2-CD2 3.85Å; I239-Y243 HydrophobicContact CG2-CE2 3.94Å; I239-Y243 VanDerWaalsContact O-CD2 3.3Å; I239-Y243 WeakPolarHBondContact O-CD2 3.02Å; I239-Y243 PolarHBondContact O-N 2.71Å; A240-Y243 PolarHBondContact O-N 3.22Å; K241-Y243 PolarHBondContact O-N 3.29Å; Y243-K245 VanDerWaalsContact C-N 3.27Å; Y243-K245 PolarHBondContact O-N 2.91Å; Y243-F281 HydrophobicContact CD1-CB 4.34Å; Y243-F281 AromaticContact CD1-CD2 3.83Å; Y243-F281 HydrophobicContact CD1-CD2 3.83Å; Y243-F281 HydrophobicContact CE1-CD2 4.45Å; Y243-F281 AromaticContact CG-CD2 3.85Å; Y243-F281 HydrophobicContact CG-CD2 3.85Å; Y243-F281 HydrophobicContact CG-CE2 4.37Å; Y243-E282 WeakPolarHBondContact CE1-O 3.41Å; Y243-E282 VanDerWaalsContact CZ-O 3.31Å; Y243-E282 PolarHBondContact OH-O 3.31Å; Y243-E282 VanDerWaalsContact OH-O 3.05Å; Y243-L283 HydrophobicContact CD2-CD2 4Å; Y243-L283 HydrophobicContact CE2-CD2 3.74Å; Y243-L283 WeakPolarHBondContact OH-CA 3.22Å; Y243-S284 PolarHBondContact OH-N 3.2Å; Y243-D287 WeakPolarHBondContact CE2-OD2 3.37Å; Y243-D287 PolarHBondContact OH-OD2 3.39Å
244N98.1Very high98.5Very high152 Ų15243.5 Ų43.581%0.81324%0.236SC*.THydrogen-bonded Turntrans51.747.5-169.4-168.347.3000112A240 K241A240-N244 PolarHBondContact O-N 3.49Å; A240-N244 VanDerWaalsContact O-N 3.09Å; K241-N244 PolarHBondContact O-N 3Å
245K98.4Very high98.6Very high32 Ų3239.9 Ų39.914%0.13921%0.206CC..  trans-125.2165-179.1-67.3-67.8166.8177.20110.5A240 Y243 Q249 V250 D280 F281A240-K245 CarbonylContact C-O 3.18Å; A240-K245 WeakPolarHBondContact CB-O 3.13Å; A240-K245 PolarHBondContact O-N 3.29Å; Y243-K245 VanDerWaalsContact C-N 3.27Å; Y243-K245 PolarHBondContact O-N 2.91Å; K245-Q249 HydrophobicContact CB-CB 4.13Å; K245-Q249 HydrophobicContact CD-CB 4.45Å; K245-V250 HydrophobicContact CB-CG2 4.46Å; K245-D280 WeakPolarHBondContact CE-OD1 3.29Å; K245-D280 IonicContact NZ-OD1 2.91Å; K245-D280 PolarHBondContact NZ-OD1 2.61Å; K245-D280 IonicContact NZ-OD2 3.94Å; K245-D280 PolarHBondContact NZ-OD2 2.85Å; K245-F281 HydrophobicContact CB-CZ 4.47Å; K245-F281 HydrophobicContact CD-CD1 3.87Å; K245-F281 HydrophobicContact CD-CE1 3.87Å; K245-F281 HydrophobicContact CD-CG 4.43Å; K245-F281 HydrophobicContact CD-CZ 4.42Å; K245-F281 HydrophobicContact CG-CD1 3.95Å; K245-F281 HydrophobicContact CG-CD2 4.18Å; K245-F281 HydrophobicContact CG-CE1 3.88Å; K245-F281 HydrophobicContact CG-CE2 4.12Å; K245-F281 HydrophobicContact CG-CG 4.08Å; K245-F281 HydrophobicContact CG-CZ 3.96Å
246S98.4Very high98.5Very high21 Ų2138.2 Ų38.215%0.14720%0.195CC..  trans-79157.7170.6790000111.3A248 Q249 V250 E274S246-A248 PolarHBondContact O-N 2.67Å; S246-Q249 PolarHBondContact O-N 3.41Å; S246-Q249 VanDerWaalsContact O-N 3.14Å; S246-Q249 WeakPolarHBondContact OG-CG 3.44Å; S246-Q249 PolarHBondContact OG-N 2.93Å; S246-V250 PolarHBondContact O-N 3.32Å; S246-V250 VanDerWaalsContact O-N 3.15Å; S246-E274 WeakPolarHBondContact CB-OE1 3.45Å; S246-E274 PolarHBondContact OG-OE1 3Å
247P98.4Very high98.5Very high27 Ų2740.8 Ų40.818%0.17521%0.207CC..Hα-helixtrans-52.7-41.1171.1-30.638.9000112.4L231 I236 L237 A240 Q249 V250 L251L231-P247 HydrophobicContact CD2-CB 4.05Å; I236-P247 HydrophobicContact CG2-CB 3.89Å; L237-P247 HydrophobicContact CD2-CG 3.64Å; A240-P247 HydrophobicContact CB-CG 4.29Å; P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.16Å; P247-V250 PolarHBondContact O-N 3.32Å; P247-L251 WeakPolarHBondContact O-CG 3.32Å; P247-L251 PolarHBondContact O-N 3.48Å
248A98.2Very high98.5Very high10 Ų1038.7 Ų38.78%0.08319%0.194CC..Hα-helixtrans-61.2-41.6178.900000112.3L215 L231 S246 L251 M252L215-A248 HydrophobicContact CD1-CB 4.16Å; L215-A248 HydrophobicContact CD2-CB 3.92Å; L231-A248 HydrophobicContact CD2-CB 4.05Å; S246-A248 PolarHBondContact O-N 2.67Å; A248-L251 PolarHBondContact O-N 3.24Å; A248-M252 WeakPolarHBondContact O-CB 3.39Å; A248-M252 VanDerWaalsContact O-CG 3.31Å; A248-M252 WeakPolarHBondContact O-CG 3.48Å; A248-M252 PolarHBondContact O-N 3.49Å
249Q98.7Very high98.4Very high9 Ų940 Ų404%0.04219%0.192CC..Hα-helixtrans-64.2-41.4176.3-71.3170.3-33.200112.1K245 S246 P247 M252 R253 E274 Q277 L278 F281K245-Q249 HydrophobicContact CB-CB 4.13Å; K245-Q249 HydrophobicContact CD-CB 4.45Å; S246-Q249 PolarHBondContact O-N 3.41Å; S246-Q249 VanDerWaalsContact O-N 3.14Å; S246-Q249 WeakPolarHBondContact OG-CG 3.44Å; S246-Q249 PolarHBondContact OG-N 2.93Å; P247-Q249 VanDerWaalsContact C-N 3.33Å; P247-Q249 PolarHBondContact O-N 3.16Å; Q249-M252 PolarHBondContact O-N 2.89Å; Q249-R253 WeakPolarHBondContact O-CB 3.38Å; Q249-R253 PolarHBondContact O-N 3.02Å; Q249-E274 HydrophobicContact CG-CG 4.26Å; Q249-E274 PolarHBondContact NE2-O 3.37Å; Q249-Q277 PolarHBondContact NE2-O 3.28Å; Q249-L278 HydrophobicContact CB-CD2 3.89Å; Q249-L278 HydrophobicContact CG-CD2 4.01Å; Q249-L278 WeakPolarHBondContact O-CD2 3.48Å; Q249-F281 HydrophobicContact CB-CE1 4.46Å; Q249-F281 HydrophobicContact CB-CZ 4.39Å
250V98.8Very high98.4Very high0 Ų039.5 Ų39.50%019%0.19CC..Hα-helixtrans-61.5-47.8175.1171.70000111.2I236 I239 A240 K245 S246 P247 M252 R253 F254 L283 I291I236-V250 HydrophobicContact CG2-CG1 4.39Å; I239-V250 HydrophobicContact CB-CG1 4.32Å; I239-V250 HydrophobicContact CG2-CG1 3.74Å; I239-V250 HydrophobicContact CG2-CG2 4.14Å; A240-V250 HydrophobicContact CB-CG2 3.86Å; K245-V250 HydrophobicContact CB-CG2 4.46Å; S246-V250 PolarHBondContact O-N 3.32Å; S246-V250 VanDerWaalsContact O-N 3.15Å; P247-V250 PolarHBondContact O-N 3.32Å; V250-M252 PolarHBondContact O-N 2.91Å; V250-R253 PolarHBondContact O-N 3.34Å; V250-F254 WeakPolarHBondContact O-CB 3.5Å; V250-F254 PolarHBondContact O-N 3.36Å; V250-L283 HydrophobicContact CG1-CD2 4.19Å; V250-I291 HydrophobicContact CG1-CD1 3.94Å
251L98.7Very high98.4Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-61.4-43179.5-66.1173.3000112.1P191 L215 L230 L231 I236 P247 A248 F254 H255P191-L251 HydrophobicContact CG-CD2 3.5Å; L215-L251 HydrophobicContact CD2-CB 3.94Å; L215-L251 HydrophobicContact CD2-CD1 3.98Å; L230-L251 HydrophobicContact CD1-CD2 3.9Å; L230-L251 HydrophobicContact CD2-CD1 3.84Å; L230-L251 HydrophobicContact CD2-CD2 3.86Å; L230-L251 HydrophobicContact CD2-CG 4.45Å; L230-L251 HydrophobicContact CG-CD1 3.73Å; L230-L251 HydrophobicContact CG-CD2 3.73Å; L230-L251 HydrophobicContact CG-CG 4.4Å; L231-L251 HydrophobicContact CD2-CD1 3.72Å; L231-L251 HydrophobicContact CG-CD1 4.39Å; I236-L251 HydrophobicContact CD1-CD2 3.8Å; I236-L251 HydrophobicContact CG1-CD2 4.01Å; I236-L251 HydrophobicContact CG2-CD2 4.05Å; I236-L251 HydrophobicContact CG2-CG 4.07Å; P247-L251 WeakPolarHBondContact O-CG 3.32Å; P247-L251 PolarHBondContact O-N 3.48Å; A248-L251 PolarHBondContact O-N 3.24Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; L251-H255 PolarHBondContact O-CD2 3.37Å
252M98.6Very high98.4Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-70.9-39.7177-67.7-179.772.900111.9V18 L215 A248 Q249 V250 F254 H255 T256 V262 A264 N275 L278V18-M252 HydrophobicContact CG1-CE 3.77Å; L215-M252 HydrophobicContact CD2-CG 4.07Å; A248-M252 WeakPolarHBondContact O-CB 3.39Å; A248-M252 VanDerWaalsContact O-CG 3.31Å; A248-M252 WeakPolarHBondContact O-CG 3.48Å; A248-M252 PolarHBondContact O-N 3.49Å; Q249-M252 PolarHBondContact O-N 2.89Å; V250-M252 PolarHBondContact O-N 2.91Å; M252-F254 VanDerWaalsContact C-N 3.29Å; M252-F254 PolarHBondContact O-N 2.92Å; M252-H255 PolarHBondContact O-N 3.2Å; M252-H255 VanDerWaalsContact O-N 3.14Å; M252-T256 PolarHBondContact O-N 3.1Å; M252-V262 HydrophobicContact CB-CG1 4.3Å; M252-V262 HydrophobicContact CB-CG2 4.3Å; M252-V262 HydrophobicContact CE-CG1 3.89Å; M252-V262 HydrophobicContact CE-CG2 4.22Å; M252-V262 HydrophobicContact CG-CG2 4.02Å; M252-A264 HydrophobicContact CE-CB 3.63Å; M252-A264 HydrophobicContact CG-CB 4.47Å; M252-A264 HydrophobicContact SD-CB 3.61Å; M252-N275 HydrophobicContact CE-CB 4.32Å; M252-N275 HydrophobicContact SD-CB 3.74Å; M252-L278 HydrophobicContact CB-CD1 3.68Å; M252-L278 HydrophobicContact CB-CD2 3.94Å; M252-L278 HydrophobicContact CE-CD1 4.05Å
253R98.4Very high98.4Very high30 Ų3025.2 Ų25.211%0.11313%0.128CC..Hα-helixtrans-61.2-39.6178-176.559.6175.6174.51.8111.7Q249 V250 H255 T256 Q257 L278 F279 F281 L283Q249-R253 WeakPolarHBondContact O-CB 3.38Å; Q249-R253 PolarHBondContact O-N 3.02Å; V250-R253 PolarHBondContact O-N 3.34Å; R253-H255 VanDerWaalsContact C-N 3.26Å; R253-H255 PolarHBondContact O-N 3.09Å; R253-T256 PolarHBondContact O-N 3.05Å; R253-T256 PolarHBondContact O-OG1 2.98Å; R253-Q257 HydrophobicContact CG-CG 4.45Å; R253-Q257 VanDerWaalsContact CG-OE1 3.3Å; R253-Q257 PolarHBondContact O-N 2.88Å; R253-L278 VanDerWaalsContact CD-O 3.29Å; R253-L278 WeakPolarHBondContact CD-O 3.34Å; R253-L278 PolarHBondContact NE-O 3.01Å; R253-L278 PolarHBondContact NH1-O 2.89Å; R253-F279 VanDerWaalsContact NH1-CD1 3.31Å; R253-F281 HydrophobicContact CB-CE1 4.16Å; R253-F281 HydrophobicContact CB-CE2 4.01Å; R253-F281 HydrophobicContact CB-CZ 3.47Å; R253-F281 VanDerWaalsContact CB-CZ 3.47Å; R253-F281 HydrophobicContact CG-CD2 4.5Å; R253-F281 HydrophobicContact CG-CE1 4.18Å; R253-F281 HydrophobicContact CG-CE2 3.81Å; R253-F281 HydrophobicContact CG-CZ 3.63Å; R253-F281 PolarHBondContact NE-O 3.43Å; R253-F281 VanDerWaalsContact NE-O 3.08Å; R253-F281 PolarHBondContact NH2-O 2.63Å; R253-F281 VanDerWaalsContact NH2-O 3.12Å; R253-L283 HydrophobicContact CB-CD1 4.12Å; R253-L283 HydrophobicContact CB-CG 4.46Å; R253-L283 HydrophobicContact CG-CD1 3.97Å; R253-L283 HydrophobicContact CG-CG 3.93Å
254F98.7Very high98.3Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-51.2-41.9173.4165.7-105.7000112.8P191 T194 V250 L251 M252 R258 L283 M288 I291 L292P191-F254 HydrophobicContact CG-CD1 4.23Å; P191-F254 HydrophobicContact CG-CE1 4.29Å; T194-F254 HydrophobicContact CG2-CZ 4.28Å; V250-F254 WeakPolarHBondContact O-CB 3.5Å; V250-F254 PolarHBondContact O-N 3.36Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; M252-F254 VanDerWaalsContact C-N 3.29Å; M252-F254 PolarHBondContact O-N 2.92Å; F254-R258 VanDerWaalsContact O-CD 3.3Å; F254-R258 WeakPolarHBondContact O-CD 3.41Å; F254-R258 VanDerWaalsContact O-CG 3.3Å; F254-R258 WeakPolarHBondContact O-CG 3.46Å; F254-L283 HydrophobicContact CB-CD1 4.12Å; F254-M288 HydrophobicContact CD2-CE 3.62Å; F254-M288 HydrophobicContact CD2-SD 3.9Å; F254-M288 HydrophobicContact CE2-CE 4.06Å; F254-I291 HydrophobicContact CB-CD1 4.48Å; F254-I291 HydrophobicContact CB-CG2 4.46Å; F254-I291 HydrophobicContact CD1-CG2 4.27Å; F254-I291 HydrophobicContact CD2-CB 4.06Å; F254-I291 HydrophobicContact CD2-CD1 4.45Å; F254-I291 HydrophobicContact CD2-CG2 3.5Å; F254-I291 VanDerWaalsContact CD2-CG2 3.5Å; F254-I291 HydrophobicContact CE1-CG2 4.38Å; F254-I291 HydrophobicContact CE2-CB 4.2Å; F254-I291 HydrophobicContact CE2-CG2 3.64Å; F254-I291 HydrophobicContact CG-CG2 3.83Å; F254-I291 HydrophobicContact CZ-CG2 4.07Å; F254-L292 HydrophobicContact CE2-CD2 3.76Å; F254-L292 HydrophobicContact CE2-CG 3.96Å; F254-L292 HydrophobicContact CZ-CD2 3.73Å; F254-L292 HydrophobicContact CZ-CG 4.38Å
255H98.6Very high98.1Very high0 Ų019.8 Ų19.80%010%0.098CC..Hα-helixtrans-71.7-48.8176-66-66.4000112.3C189 L251 M252 R253 Q257 R258 V260 V262C189-H255 VanDerWaalsContact C-CE1 3.47Å; C189-H255 PolarHBondContact O-CE1 2.92Å; C189-H255 PolarHBondContact O-NE2 3.41Å; C189-H255 VanDerWaalsContact SG-CE1 3.52Å; L251-H255 PolarHBondContact O-CD2 3.37Å; M252-H255 PolarHBondContact O-N 3.2Å; M252-H255 VanDerWaalsContact O-N 3.14Å; R253-H255 VanDerWaalsContact C-N 3.26Å; R253-H255 PolarHBondContact O-N 3.09Å; H255-Q257 VanDerWaalsContact C-N 3.27Å; H255-Q257 PolarHBondContact O-N 3.22Å; H255-R258 WeakPolarHBondContact O-CA 3.48Å; H255-R258 WeakPolarHBondContact O-CB 3.4Å; H255-R258 PolarHBondContact O-N 3.46Å; H255-V260 CarbonylContact C-O 3.55Å; H255-V260 HydrophobicContact CB-CB 4.21Å; H255-V260 HydrophobicContact CB-CG1 4.29Å; H255-V260 WeakPolarHBondContact O-CB 3.47Å; H255-V260 PolarHBondContact O-N 3.07Å; H255-V260 VanDerWaalsContact O-N 3.13Å; H255-V262 HydrophobicContact CB-CB 4.02Å; H255-V262 HydrophobicContact CB-CG2 4.33Å
256T98.2Very high97.8Very high12 Ų1218.9 Ų18.97%0.07410%0.096CC..Hα-helixtrans-61.6-35.1-175.763.40000112.7I17 V18 M252 R253 R258 N259 V262 L278I17-T256 HydrophobicContact CD1-CG2 4.37Å; I17-T256 WeakPolarHBondContact CD1-O 3.43Å; I17-T256 HydrophobicContact CG1-CG2 4.18Å; I17-T256 HydrophobicContact CG2-CG2 4.03Å; V18-T256 HydrophobicContact CG2-CG2 4.08Å; M252-T256 PolarHBondContact O-N 3.1Å; R253-T256 PolarHBondContact O-N 3.05Å; R253-T256 PolarHBondContact O-OG1 2.98Å; T256-R258 PolarHBondContact O-N 3.31Å; T256-N259 PolarHBondContact O-N 3.37Å; T256-V262 HydrophobicContact CG2-CG1 3.75Å; T256-L278 HydrophobicContact CG2-CD1 4.47Å
257Q98Very high97.6Very high54 Ų5419.4 Ų19.425%0.25210%0.102SC..THydrogen-bonded Turntrans-71.4-14.9175.5-81.8-175.9-130.900114R253 H255 N259 L283 M288R253-Q257 HydrophobicContact CG-CG 4.45Å; R253-Q257 VanDerWaalsContact CG-OE1 3.3Å; R253-Q257 PolarHBondContact O-N 2.88Å; H255-Q257 VanDerWaalsContact C-N 3.27Å; H255-Q257 PolarHBondContact O-N 3.22Å; Q257-N259 VanDerWaalsContact C-N 3.33Å; Q257-L283 PolarHBondContact NE2-O 3.25Å; Q257-M288 HydrophobicContact CB-CE 4.24Å; Q257-M288 HydrophobicContact CB-SD 4.41Å
258R97.7Very high97.4Very high38 Ų3821 Ų2114%0.14311%0.111CC..THydrogen-bonded Turntrans-95.211.5174.4-64.8169.466-155.10.1112.5T194 I199 Q203 F254 H255 T256 V260 M288T194-R258 PolarHBondContact O-NH1 3.11Å; T194-R258 VanDerWaalsContact O-NH1 3.16Å; T194-R258 PolarHBondContact O-NH2 3.14Å; I199-R258 VanDerWaalsContact CD1-NH2 3.26Å; Q203-R258 PolarHBondContact NE2-O 3.34Å; Q203-R258 VanDerWaalsContact NE2-O 3.08Å; F254-R258 VanDerWaalsContact O-CD 3.3Å; F254-R258 WeakPolarHBondContact O-CD 3.41Å; F254-R258 VanDerWaalsContact O-CG 3.3Å; F254-R258 WeakPolarHBondContact O-CG 3.46Å; H255-R258 WeakPolarHBondContact O-CA 3.48Å; H255-R258 WeakPolarHBondContact O-CB 3.4Å; H255-R258 PolarHBondContact O-N 3.46Å; T256-R258 PolarHBondContact O-N 3.31Å; R258-V260 HydrophobicContact CB-CG2 4.09Å; R258-V260 PolarHBondContact O-N 2.76Å; R258-M288 HydrophobicContact CG-CE 3.57Å
259N97.8Very high97.3Very high86 Ų8623.8 Ų23.846%0.4613%0.128SC..THydrogen-bonded Turntrans5639-172.5-16744.5000112T256 Q257T256-N259 PolarHBondContact O-N 3.37Å; Q257-N259 VanDerWaalsContact C-N 3.33Å
260V98.7Very high97.3Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-112.4124175.61770000107.8I199 V209 A211 H255 R258I199-V260 HydrophobicContact CD1-CG2 4.01Å; I199-V260 HydrophobicContact CG1-CG2 4.28Å; I199-V260 HydrophobicContact CG2-CG2 3.92Å; V209-V260 HydrophobicContact CB-CG1 4.32Å; V209-V260 HydrophobicContact CB-CG2 4.46Å; V209-V260 HydrophobicContact CG1-CG1 4.06Å; A211-V260 HydrophobicContact CB-CG1 3.85Å; H255-V260 CarbonylContact C-O 3.55Å; H255-V260 HydrophobicContact CB-CB 4.21Å; H255-V260 HydrophobicContact CB-CG1 4.29Å; H255-V260 WeakPolarHBondContact O-CB 3.47Å; H255-V260 PolarHBondContact O-N 3.07Å; H255-V260 VanDerWaalsContact O-N 3.13Å; R258-V260 HydrophobicContact CB-CG2 4.09Å; R258-V260 PolarHBondContact O-N 2.76Å
261A98.8Very high97.2Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-66.7146.5172.900000109.8V7 M15 I17 V209 T210 A211V7-A261 HydrophobicContact CG2-CB 4.39Å; M15-A261 HydrophobicContact CE-CB 3.72Å; I17-A261 HydrophobicContact CG1-CB 4.4Å; I17-A261 CarbonylContact O-C 3.38Å; I17-A261 VanDerWaalsContact O-CA 3.23Å; I17-A261 WeakPolarHBondContact O-CA 3.47Å; V209-A261 PolarHBondContact O-N 3.23Å; T210-A261 CarbonylContact C-O 3.58Å; T210-A261 VanDerWaalsContact CA-O 3.32Å; T210-A261 WeakPolarHBondContact CA-O 3.47Å; T210-A261 HydrophobicContact CG2-CB 4.38Å; A211-A261 PolarHBondContact N-O 2.98Å
262V98.6Very high97.1Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-129.2129.5-17463.60000110.7I17 V18 G19 P214 M252 H255 T256I17-V262 PolarHBondContact O-N 3.12Å; V18-V262 WeakPolarHBondContact CA-O 3.44Å; V18-V262 HydrophobicContact CG1-CG1 4.37Å; V18-V262 HydrophobicContact CG2-CG1 4.24Å; G19-V262 PolarHBondContact N-O 3.05Å; P214-V262 HydrophobicContact CB-CG2 3.41Å; P214-V262 VanDerWaalsContact CB-CG2 3.41Å; P214-V262 HydrophobicContact CG-CG2 3.51Å; M252-V262 HydrophobicContact CB-CG1 4.3Å; M252-V262 HydrophobicContact CB-CG2 4.3Å; M252-V262 HydrophobicContact CE-CG1 3.89Å; M252-V262 HydrophobicContact CE-CG2 4.22Å; M252-V262 HydrophobicContact CG-CG2 4.02Å; H255-V262 HydrophobicContact CB-CB 4.02Å; H255-V262 HydrophobicContact CB-CG2 4.33Å; T256-V262 HydrophobicContact CG2-CG1 3.75Å
263I98.3Very high97.1Very high8 Ų839.7 Ų39.74%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-119.5103.4178.351.5169.2000110.1G19 D46 Q186 T210 A211 F212 P214G19-I263 WeakPolarHBondContact O-CA 3.36Å; D46-I263 HydrophobicContact CB-CB 4.28Å; D46-I263 HydrophobicContact CB-CD1 3.83Å; D46-I263 HydrophobicContact CB-CG2 3.86Å; D46-I263 WeakPolarHBondContact OD1-CD1 3.28Å; Q186-I263 HydrophobicContact CG-CD1 4.32Å; T210-I263 HydrophobicContact CG2-CD1 3.94Å; T210-I263 HydrophobicContact CG2-CG1 3.81Å; T210-I263 HydrophobicContact CG2-CG2 4.01Å; A211-I263 VanDerWaalsContact O-CG1 3.3Å; A211-I263 WeakPolarHBondContact O-CG1 3.32Å; A211-I263 PolarHBondContact O-N 3.15Å; F212-I263 HydrophobicContact CB-CD1 4Å; F212-I263 HydrophobicContact CB-CG1 4.26Å; P214-I263 WeakPolarHBondContact CD-O 3.41Å; P214-I263 WeakPolarHBondContact CG-O 3.45Å
264A96.4Very high97Very high2 Ų241.8 Ų41.82%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-101.4129.9176.800000109.6G19 G21 P214 L215 M252G19-A264 PolarHBondContact O-N 3.08Å; G21-A264 PolarHBondContact N-O 2.93Å; G21-A264 VanDerWaalsContact N-O 3.13Å; P214-A264 HydrophobicContact CG-CB 4.15Å; L215-A264 HydrophobicContact CD1-CB 4.25Å; L215-A264 HydrophobicContact CG-CB 4.47Å; M252-A264 HydrophobicContact CE-CB 3.63Å; M252-A264 HydrophobicContact CG-CB 4.47Å; M252-A264 HydrophobicContact SD-CB 3.61Å
265K93.6Very high96.9Very high87 Ų8742.1 Ų42.138%0.37822%0.216SC..EExtended strand (participates in β ladder)trans-83.6135.4173.6178.6-99.1-175.6168.20110.9G21 W23 R24G21-K265 VanDerWaalsContact O-CA 3.28Å; G21-K265 WeakPolarHBondContact O-CA 3.31Å; G21-K265 WeakPolarHBondContact O-CB 3.37Å; G21-K265 VanDerWaalsContact O-CG 3.31Å; G21-K265 WeakPolarHBondContact O-CG 3.1Å; W23-K265 WeakPolarHBondContact O-CD 3.36Å; W23-K265 WeakPolarHBondContact O-CE 3.38Å; W23-K265 WeakPolarHBondContact O-CG 3.36Å; R24-K265 WeakPolarHBondContact O-CE 3.47Å; R24-K265 PolarHBondContact O-NZ 2.68Å
266S93.2Very high96.8Very high12 Ų1243.7 Ų43.78%0.08422%0.223CC..  trans-156.1142.1163.9179.90000109.7T268 R271 I272S266-T268 PolarHBondContact OG-N 3.34Å; S266-T268 VanDerWaalsContact OG-N 3.08Å; S266-T268 PolarHBondContact OG-O 2.84Å; S266-R271 WeakPolarHBondContact OG-CB 3.43Å; S266-I272 WeakPolarHBondContact O-CD1 3.5Å
267A92.4Very high96.7Very high33 Ų3348.3 Ų48.327%0.27324%0.244SC..  trans-107.2-0.2166.500000111.8A25 K29 P269A25-A267 HydrophobicContact CB-CB 4.23Å; K29-A267 HydrophobicContact CB-CB 4.25Å; A267-P269 WeakPolarHBondContact O-CD 3.49Å
268T95.1Very high96.6Very high61 Ų6145.8 Ų45.837%0.37423%0.232SC..  trans-91.3116.7180-51.20000109.4S266 S270 R271 I272S266-T268 PolarHBondContact OG-N 3.34Å; S266-T268 VanDerWaalsContact OG-N 3.08Å; S266-T268 PolarHBondContact OG-O 2.84Å; T268-S270 VanDerWaalsContact C-N 3.32Å; T268-S270 PolarHBondContact O-N 3.26Å; T268-R271 HydrophobicContact CG2-CG 4.23Å; T268-R271 PolarHBondContact O-N 2.93Å; T268-R271 VanDerWaalsContact O-N 3.08Å; T268-I272 WeakPolarHBondContact O-CG1 3.37Å; T268-I272 PolarHBondContact O-N 3.48Å
269P96.6Very high96.5Very high67 Ų6746.7 Ų46.744%0.43524%0.237SC..Hα-helixtrans-56.3-38.7-173-30.536.8000115.2V36 A267 I272 K273V36-P269 HydrophobicContact CG1-CB 4.08Å; V36-P269 HydrophobicContact CG2-CB 4.3Å; V36-P269 HydrophobicContact CG2-CG 4.4Å; A267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-I272 PolarHBondContact O-N 3.46Å; P269-K273 WeakPolarHBondContact O-CG 3.16Å; P269-K273 PolarHBondContact O-N 3.04Å; P269-K273 VanDerWaalsContact O-N 3.12Å
270S97.6Very high96.4Very high81 Ų8147.9 Ų47.957%0.56624%0.244SC*.Hα-helixtrans-63.8-44.6177.252.90000112T268 K273 E274T268-S270 VanDerWaalsContact C-N 3.32Å; T268-S270 PolarHBondContact O-N 3.26Å; S270-K273 PolarHBondContact O-N 3.45Å; S270-E274 WeakPolarHBondContact O-CB 3.19Å; S270-E274 PolarHBondContact O-N 3.28Å
271R96.6Very high96.3Very high145 Ų14549 Ų4955%0.54725%0.248SC..Hα-helixtrans-66.3-37.5177.1-65-176.1-174.4-170.32112.3S266 T268 K273 E274 N275S266-R271 WeakPolarHBondContact OG-CB 3.43Å; T268-R271 HydrophobicContact CG2-CG 4.23Å; T268-R271 PolarHBondContact O-N 2.93Å; T268-R271 VanDerWaalsContact O-N 3.08Å; R271-K273 VanDerWaalsContact C-N 3.34Å; R271-E274 PolarHBondContact O-N 2.88Å; R271-N275 VanDerWaalsContact O-CB 3.24Å; R271-N275 WeakPolarHBondContact O-CB 2.83Å; R271-N275 PolarHBondContact O-N 3.36Å; R271-N275 PolarHBondContact O-ND2 2.73Å; R271-N275 PolarHBondContact O-OD1 3.39Å
272I97.4Very high96.3Very high1 Ų155.2 Ų55.21%0.00528%0.277CS..Hα-helixtrans-60-47.2175-65.2167.9000110L20 A33 V36 A37 Y42 S266 T268 P269L20-I272 HydrophobicContact CD1-CG1 4.36Å; A33-I272 HydrophobicContact CB-CD1 3.94Å; V36-I272 HydrophobicContact CB-CD1 4.31Å; V36-I272 HydrophobicContact CG1-CB 4.16Å; V36-I272 HydrophobicContact CG1-CD1 4.19Å; V36-I272 HydrophobicContact CG1-CG2 4.01Å; A37-I272 HydrophobicContact CB-CG2 3.8Å; Y42-I272 HydrophobicContact CD2-CG2 4.45Å; Y42-I272 HydrophobicContact CE2-CG2 3.96Å; Y42-I272 WeakPolarHBondContact CE2-O 3.45Å; Y42-I272 PolarHBondContact OH-O 2.99Å; S266-I272 WeakPolarHBondContact O-CD1 3.5Å; T268-I272 WeakPolarHBondContact O-CG1 3.37Å; T268-I272 PolarHBondContact O-N 3.48Å; P269-I272 PolarHBondContact O-N 3.46Å
273K97.6Very high96.3Very high117 Ų11755.4 Ų55.451%0.50928%0.278SS..Hα-helixtrans-63.8-45.2177.4-71.2172.3-178.2-175.20112.1S40 P269 S270 R271 F276S40-K273 VanDerWaalsContact OG-CG 3.29Å; S40-K273 WeakPolarHBondContact OG-CG 3.49Å; P269-K273 WeakPolarHBondContact O-CG 3.16Å; P269-K273 PolarHBondContact O-N 3.04Å; P269-K273 VanDerWaalsContact O-N 3.12Å; S270-K273 PolarHBondContact O-N 3.45Å; R271-K273 VanDerWaalsContact C-N 3.34Å; K273-F276 PolarHBondContact O-N 3.05Å
274E97.1Very high96.3Very high74 Ų7457 Ų5735%0.34629%0.29SS..Hα-helixtrans-61-47.8179.1-176.1-173.2101.800111.8S246 Q249 S270 R271 F276 Q277S246-E274 WeakPolarHBondContact CB-OE1 3.45Å; S246-E274 PolarHBondContact OG-OE1 3Å; Q249-E274 HydrophobicContact CG-CG 4.26Å; Q249-E274 PolarHBondContact NE2-O 3.37Å; S270-E274 WeakPolarHBondContact O-CB 3.19Å; S270-E274 PolarHBondContact O-N 3.28Å; R271-E274 PolarHBondContact O-N 2.88Å; E274-F276 PolarHBondContact O-N 3.37Å; E274-Q277 PolarHBondContact O-N 3.26Å
275N96.9Very high96.4Very high7 Ų765.1 Ų65.14%0.03733%0.328CS..Hα-helixtrans-62.4-16.6-178.5-74.5-5000113.4Y42 M252 R271 L278Y42-N275 WeakPolarHBondContact OH-CB 3.48Å; M252-N275 HydrophobicContact CE-CB 4.32Å; M252-N275 HydrophobicContact SD-CB 3.74Å; R271-N275 VanDerWaalsContact O-CB 3.24Å; R271-N275 WeakPolarHBondContact O-CB 2.83Å; R271-N275 PolarHBondContact O-N 3.36Å; R271-N275 PolarHBondContact O-ND2 2.73Å; R271-N275 PolarHBondContact O-OD1 3.39Å; N275-L278 WeakPolarHBondContact O-CD1 3.31Å; N275-L278 VanDerWaalsContact O-CG 3.31Å; N275-L278 WeakPolarHBondContact O-CG 3.32Å
276F95.9Very high96.7Very high32 Ų3266.7 Ų66.714%0.1434%0.34CS..Hα-helixtrans-84.3-20.2176.3-160.8-113.1000113.6I4 V18 S40 G41 Y42 K273 E274 L278I4-F276 HydrophobicContact CD1-CE2 3.9Å; I4-F276 HydrophobicContact CD1-CZ 4Å; I4-F276 HydrophobicContact CG2-CE1 4.07Å; I4-F276 HydrophobicContact CG2-CE2 4.04Å; I4-F276 HydrophobicContact CG2-CZ 3.42Å; I4-F276 VanDerWaalsContact CG2-CZ 3.42Å; V18-F276 HydrophobicContact CG1-CD2 4.49Å; S40-F276 WeakPolarHBondContact O-CD1 3.49Å; S40-F276 VanDerWaalsContact O-CE1 3.24Å; S40-F276 WeakPolarHBondContact O-CE1 3.3Å; G41-F276 WeakPolarHBondContact O-CZ 3.4Å; Y42-F276 HydrophobicContact CD1-CD2 4.15Å; Y42-F276 HydrophobicContact CD1-CE2 4.39Å; Y42-F276 HydrophobicContact CD2-CB 4.34Å; Y42-F276 AromaticContact CD2-CD2 3.48Å; Y42-F276 HydrophobicContact CD2-CD2 3.48Å; Y42-F276 VanDerWaalsContact CD2-CD2 3.48Å; Y42-F276 AromaticContact CD2-CE2 4Å; Y42-F276 HydrophobicContact CD2-CE2 4Å; Y42-F276 HydrophobicContact CD2-CG 4.05Å; Y42-F276 HydrophobicContact CE1-CD2 4.06Å; Y42-F276 HydrophobicContact CE2-CB 3.6Å; Y42-F276 AromaticContact CE2-CD2 3.39Å; Y42-F276 HydrophobicContact CE2-CD2 3.39Å; Y42-F276 HydrophobicContact CE2-CE2 4.33Å; Y42-F276 AromaticContact CE2-CG 3.77Å; Y42-F276 HydrophobicContact CE2-CG 3.77Å; Y42-F276 AromaticContact CG-CD2 3.87Å; Y42-F276 HydrophobicContact CG-CD2 3.87Å; Y42-F276 HydrophobicContact CG-CE2 4.03Å; Y42-F276 AromaticContact CZ-CD2 3.67Å; Y42-F276 PolarHBondContact OH-N 3.01Å; K273-F276 PolarHBondContact O-N 3.05Å; E274-F276 PolarHBondContact O-N 3.37Å; F276-L278 VanDerWaalsContact C-N 3.26Å; F276-L278 PolarHBondContact O-N 3.29Å
277Q95.8Very high96.9Very high110 Ų11066.8 Ų66.851%0.51434%0.34SS..  trans-82.467.5-175.7-62.7177.6-10.900111.6Q249 E274Q249-Q277 PolarHBondContact NE2-O 3.28Å; E274-Q277 PolarHBondContact O-N 3.26Å
278L96.3Very high97.2Very high0 Ų066.4 Ų66.40%033%0.333CS..  trans-109.9-9.1-173.3-58179.2000114.7V18 Q249 M252 R253 T256 N275 F276V18-L278 HydrophobicContact CG1-CD1 4.26Å; V18-L278 HydrophobicContact CG2-CD1 3.88Å; Q249-L278 HydrophobicContact CB-CD2 3.89Å; Q249-L278 HydrophobicContact CG-CD2 4.01Å; Q249-L278 WeakPolarHBondContact O-CD2 3.48Å; M252-L278 HydrophobicContact CB-CD1 3.68Å; M252-L278 HydrophobicContact CB-CD2 3.94Å; M252-L278 HydrophobicContact CE-CD1 4.05Å; R253-L278 VanDerWaalsContact CD-O 3.29Å; R253-L278 WeakPolarHBondContact CD-O 3.34Å; R253-L278 PolarHBondContact NE-O 3.01Å; R253-L278 PolarHBondContact NH1-O 2.89Å; T256-L278 HydrophobicContact CG2-CD1 4.47Å; N275-L278 WeakPolarHBondContact O-CD1 3.31Å; N275-L278 VanDerWaalsContact O-CG 3.31Å; N275-L278 WeakPolarHBondContact O-CG 3.32Å; F276-L278 VanDerWaalsContact C-N 3.26Å; F276-L278 PolarHBondContact O-N 3.29Å
279F95.8Very high97.4Very high58 Ų5870.9 Ų70.925%0.25435%0.347SS..SBendtrans-113.715-165.8-56.3-69000113.8I4 P5 I17 V18 R253I4-F279 HydrophobicContact CB-CE2 4.1Å; I4-F279 HydrophobicContact CG2-CD2 4Å; I4-F279 HydrophobicContact CG2-CE2 3.74Å; P5-F279 HydrophobicContact CG-CD1 3.89Å; P5-F279 HydrophobicContact CG-CE1 3.63Å; P5-F279 HydrophobicContact CG-CZ 4.16Å; I17-F279 HydrophobicContact CG2-CE1 4.24Å; I17-F279 HydrophobicContact CG2-CZ 3.76Å; V18-F279 HydrophobicContact CG2-CE2 3.9Å; V18-F279 HydrophobicContact CG2-CZ 3.61Å; R253-F279 VanDerWaalsContact NH1-CD1 3.31Å
280D95.4Very high97.5Very high111 Ų11171 Ų7159%0.59435%0.346SS*.SBendtrans-107.47.3173.465.1-26.1000112.6K245K245-D280 WeakPolarHBondContact CE-OD1 3.29Å; K245-D280 IonicContact NZ-OD1 2.91Å; K245-D280 PolarHBondContact NZ-OD1 2.61Å; K245-D280 IonicContact NZ-OD2 3.94Å; K245-D280 PolarHBondContact NZ-OD2 2.85Å
281F97.5Very high97.5Very high22 Ų2267.1 Ų67.110%0.09632%0.32CS..  trans-148.4166.1172.879.1-71.4000111.6Y243 K245 Q249 R253 L283Y243-F281 HydrophobicContact CD1-CB 4.34Å; Y243-F281 AromaticContact CD1-CD2 3.83Å; Y243-F281 HydrophobicContact CD1-CD2 3.83Å; Y243-F281 HydrophobicContact CE1-CD2 4.45Å; Y243-F281 AromaticContact CG-CD2 3.85Å; Y243-F281 HydrophobicContact CG-CD2 3.85Å; Y243-F281 HydrophobicContact CG-CE2 4.37Å; K245-F281 HydrophobicContact CB-CZ 4.47Å; K245-F281 HydrophobicContact CD-CD1 3.87Å; K245-F281 HydrophobicContact CD-CE1 3.87Å; K245-F281 HydrophobicContact CD-CG 4.43Å; K245-F281 HydrophobicContact CD-CZ 4.42Å; K245-F281 HydrophobicContact CG-CD1 3.95Å; K245-F281 HydrophobicContact CG-CD2 4.18Å; K245-F281 HydrophobicContact CG-CE1 3.88Å; K245-F281 HydrophobicContact CG-CE2 4.12Å; K245-F281 HydrophobicContact CG-CG 4.08Å; K245-F281 HydrophobicContact CG-CZ 3.96Å; Q249-F281 HydrophobicContact CB-CE1 4.46Å; Q249-F281 HydrophobicContact CB-CZ 4.39Å; R253-F281 HydrophobicContact CB-CE1 4.16Å; R253-F281 HydrophobicContact CB-CE2 4.01Å; R253-F281 HydrophobicContact CB-CZ 3.47Å; R253-F281 VanDerWaalsContact CB-CZ 3.47Å; R253-F281 HydrophobicContact CG-CD2 4.5Å; R253-F281 HydrophobicContact CG-CE1 4.18Å; R253-F281 HydrophobicContact CG-CE2 3.81Å; R253-F281 HydrophobicContact CG-CZ 3.63Å; R253-F281 PolarHBondContact NE-O 3.43Å; R253-F281 VanDerWaalsContact NE-O 3.08Å; R253-F281 PolarHBondContact NH2-O 2.63Å; R253-F281 VanDerWaalsContact NH2-O 3.12Å; F281-L283 HydrophobicContact CE2-CD2 4.03Å; F281-L283 HydrophobicContact CE2-CG 4.29Å
282E98.2Very high97.6Very high131 Ų13162.2 Ų62.261%0.61230%0.304SS*.  trans-140.7128.2177.6-169.1174.3179.500110.3Y243Y243-E282 WeakPolarHBondContact CE1-O 3.41Å; Y243-E282 VanDerWaalsContact CZ-O 3.31Å; Y243-E282 PolarHBondContact OH-O 3.31Å; Y243-E282 VanDerWaalsContact OH-O 3.05Å
283L98.6Very high97.7Very high4 Ų465.2 Ų65.22%0.02134%0.335CS..  trans-69128.6172.5-63171.9000108.7I239 Y243 V250 R253 F254 Q257 F281 D287 M288 I291I239-L283 HydrophobicContact CG2-CD2 3.72Å; Y243-L283 HydrophobicContact CD2-CD2 4Å; Y243-L283 HydrophobicContact CE2-CD2 3.74Å; Y243-L283 WeakPolarHBondContact OH-CA 3.22Å; V250-L283 HydrophobicContact CG1-CD2 4.19Å; R253-L283 HydrophobicContact CB-CD1 4.12Å; R253-L283 HydrophobicContact CB-CG 4.46Å; R253-L283 HydrophobicContact CG-CD1 3.97Å; R253-L283 HydrophobicContact CG-CG 3.93Å; F254-L283 HydrophobicContact CB-CD1 4.12Å; Q257-L283 PolarHBondContact NE2-O 3.25Å; F281-L283 HydrophobicContact CE2-CD2 4.03Å; F281-L283 HydrophobicContact CE2-CG 4.29Å; L283-D287 HydrophobicContact CB-CB 4.45Å; L283-M288 HydrophobicContact CB-CG 3.97Å; L283-M288 HydrophobicContact CB-SD 3.82Å; L283-M288 HydrophobicContact CD1-SD 3.67Å; L283-M288 HydrophobicContact CG-SD 4.41Å; L283-I291 HydrophobicContact CD1-CD1 3.96Å
284S98.7Very high97.7Very high41 Ų4161 Ų6129%0.28732%0.318SS..  trans-66.4163.5177.171.20000111.3Y243 D286 D287 M288Y243-S284 PolarHBondContact OH-N 3.2Å; S284-D286 PolarHBondContact O-N 2.86Å; S284-D287 WeakPolarHBondContact CB-OD2 3.46Å; S284-D287 PolarHBondContact N-OD2 3.01Å; S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 PolarHBondContact OG-N 3.2Å; S284-D287 PolarHBondContact OG-OD2 2.8Å; S284-M288 WeakPolarHBondContact O-CG 3.41Å; S284-M288 PolarHBondContact O-N 2.65Å
285Q98.4Very high97.8Very high174 Ų17460 Ų6081%0.81332%0.315SS*.Hα-helixtrans-57.3-37.6175.7-69.2-177.9-10.600112M288 K289Q285-M288 PolarHBondContact O-N 2.66Å; Q285-K289 WeakPolarHBondContact O-CB 3.35Å; Q285-K289 PolarHBondContact O-N 3.14Å
286D98.7Very high97.8Very high119 Ų11965.6 Ų65.664%0.63634%0.335SS*.Hα-helixtrans-68.3-40.3177.2-70.3-25.9000112.5S284 K289 T290S284-D286 PolarHBondContact O-N 2.86Å; D286-K289 PolarHBondContact O-N 3.27Å; D286-T290 VanDerWaalsContact O-CB 3.3Å; D286-T290 WeakPolarHBondContact O-CB 3.47Å; D286-T290 PolarHBondContact O-N 2.98Å; D286-T290 PolarHBondContact O-OG1 2.66Å
287D98.8Very high97.8Very high15 Ų1569.9 Ų69.98%0.0836%0.36CS..Hα-helixtrans-67.4-41.1175.5-58.9-52.7000110.6I239 K242 Y243 L283 S284 K289 T290 I291I239-D287 HydrophobicContact CD1-CB 4.25Å; I239-D287 HydrophobicContact CG2-CB 4.42Å; K242-D287 IonicContact NZ-OD1 2.93Å; K242-D287 PolarHBondContact NZ-OD1 2.94Å; K242-D287 IonicContact NZ-OD2 3.84Å; K242-D287 PolarHBondContact NZ-OD2 2.81Å; Y243-D287 WeakPolarHBondContact CE2-OD2 3.37Å; Y243-D287 PolarHBondContact OH-OD2 3.39Å; L283-D287 HydrophobicContact CB-CB 4.45Å; S284-D287 WeakPolarHBondContact CB-OD2 3.46Å; S284-D287 PolarHBondContact N-OD2 3.01Å; S284-D287 PolarHBondContact O-N 3.3Å; S284-D287 PolarHBondContact OG-N 3.2Å; S284-D287 PolarHBondContact OG-OD2 2.8Å; D287-K289 PolarHBondContact O-N 3.29Å; D287-T290 WeakPolarHBondContact O-CB 3.35Å; D287-T290 PolarHBondContact O-N 3.39Å; D287-I291 VanDerWaalsContact O-CG1 3.24Å; D287-I291 WeakPolarHBondContact O-CG1 3.49Å; D287-I291 PolarHBondContact O-N 3.26Å
288M98.8Very high97.8Very high24 Ų2467 Ų6712%0.11834%0.344CS..Hα-helixtrans-59.6-46.2174.6-72.1-63-66.800111.3F254 Q257 R258 L283 S284 Q285 T290 I291 L292F254-M288 HydrophobicContact CD2-CE 3.62Å; F254-M288 HydrophobicContact CD2-SD 3.9Å; F254-M288 HydrophobicContact CE2-CE 4.06Å; Q257-M288 HydrophobicContact CB-CE 4.24Å; Q257-M288 HydrophobicContact CB-SD 4.41Å; R258-M288 HydrophobicContact CG-CE 3.57Å; L283-M288 HydrophobicContact CB-CG 3.97Å; L283-M288 HydrophobicContact CB-SD 3.82Å; L283-M288 HydrophobicContact CD1-SD 3.67Å; L283-M288 HydrophobicContact CG-SD 4.41Å; S284-M288 WeakPolarHBondContact O-CG 3.41Å; S284-M288 PolarHBondContact O-N 2.65Å; Q285-M288 PolarHBondContact O-N 2.66Å; M288-T290 VanDerWaalsContact C-N 3.34Å; M288-T290 PolarHBondContact O-N 3.27Å; M288-I291 PolarHBondContact O-N 2.8Å; M288-L292 VanDerWaalsContact O-CG 3.29Å; M288-L292 WeakPolarHBondContact O-CG 3.3Å; M288-L292 PolarHBondContact O-N 3.26Å
289K98.6Very high97.8Very high156 Ų15669.9 Ų69.968%0.67836%0.355SS*.Hα-helixtrans-61.7-42.1175.2-177.3-179.6177.5-176.80111.8Q285 D286 D287 L292 G293Q285-K289 WeakPolarHBondContact O-CB 3.35Å; Q285-K289 PolarHBondContact O-N 3.14Å; D286-K289 PolarHBondContact O-N 3.27Å; D287-K289 PolarHBondContact O-N 3.29Å; K289-L292 PolarHBondContact O-N 3.09Å; K289-G293 PolarHBondContact O-N 3.04Å
290T98.8Very high97.7Very high68 Ų6867.3 Ų67.342%0.41735%0.345SS..Hα-helixtrans-60.8-46.4176.8-61.20000111.1T235 I239 D286 D287 M288 G293T235-T290 HydrophobicContact CG2-CG2 3.37Å; I239-T290 HydrophobicContact CD1-CG2 4.36Å; D286-T290 VanDerWaalsContact O-CB 3.3Å; D286-T290 WeakPolarHBondContact O-CB 3.47Å; D286-T290 PolarHBondContact O-N 2.98Å; D286-T290 PolarHBondContact O-OG1 2.66Å; D287-T290 WeakPolarHBondContact O-CB 3.35Å; D287-T290 PolarHBondContact O-N 3.39Å; M288-T290 VanDerWaalsContact C-N 3.34Å; M288-T290 PolarHBondContact O-N 3.27Å; T290-G293 PolarHBondContact O-N 3.11Å
291I98.6Very high97.7Very high1 Ų163.8 Ų63.81%0.00533%0.325CS..Hα-helixtrans-65.6-40.7177.8-65.1166.6000111.2P191 I236 I239 V250 F254 L283 D287 M288 G293 L294P191-I291 HydrophobicContact CB-CG2 3.67Å; P191-I291 HydrophobicContact CG-CG2 3.44Å; P191-I291 VanDerWaalsContact CG-CG2 3.44Å; I236-I291 HydrophobicContact CD1-CG1 4.05Å; I236-I291 HydrophobicContact CD1-CG2 4.33Å; I239-I291 HydrophobicContact CD1-CD1 3.92Å; I239-I291 HydrophobicContact CD1-CG1 3.58Å; V250-I291 HydrophobicContact CG1-CD1 3.94Å; F254-I291 HydrophobicContact CB-CD1 4.48Å; F254-I291 HydrophobicContact CB-CG2 4.46Å; F254-I291 HydrophobicContact CD1-CG2 4.27Å; F254-I291 HydrophobicContact CD2-CB 4.06Å; F254-I291 HydrophobicContact CD2-CD1 4.45Å; F254-I291 HydrophobicContact CD2-CG2 3.5Å; F254-I291 VanDerWaalsContact CD2-CG2 3.5Å; F254-I291 HydrophobicContact CE1-CG2 4.38Å; F254-I291 HydrophobicContact CE2-CB 4.2Å; F254-I291 HydrophobicContact CE2-CG2 3.64Å; F254-I291 HydrophobicContact CG-CG2 3.83Å; F254-I291 HydrophobicContact CZ-CG2 4.07Å; L283-I291 HydrophobicContact CD1-CD1 3.96Å; D287-I291 VanDerWaalsContact O-CG1 3.24Å; D287-I291 WeakPolarHBondContact O-CG1 3.49Å; D287-I291 PolarHBondContact O-N 3.26Å; M288-I291 PolarHBondContact O-N 2.8Å; I291-G293 PolarHBondContact O-N 2.84Å; I291-L294 WeakPolarHBondContact O-CB 3.36Å; I291-L294 PolarHBondContact O-N 3.09Å; I291-L294 VanDerWaalsContact O-N 3.11Å
292L98.5Very high97.6Very high41 Ų4164.1 Ų64.122%0.21533%0.329CS..Hα-helixtrans-60.5-36.1175-72.8168.2000112T194 E196 F254 M288 K289 L294 N295T194-L292 HydrophobicContact CG2-CD2 4.05Å; E196-L292 HydrophobicContact CG-CD2 4.01Å; F254-L292 HydrophobicContact CE2-CD2 3.76Å; F254-L292 HydrophobicContact CE2-CG 3.96Å; F254-L292 HydrophobicContact CZ-CD2 3.73Å; F254-L292 HydrophobicContact CZ-CG 4.38Å; M288-L292 VanDerWaalsContact O-CG 3.29Å; M288-L292 WeakPolarHBondContact O-CG 3.3Å; M288-L292 PolarHBondContact O-N 3.26Å; K289-L292 PolarHBondContact O-N 3.09Å; L292-L294 PolarHBondContact O-N 2.87Å; L292-L294 VanDerWaalsContact O-N 3.17Å; L292-N295 WeakPolarHBondContact O-CB 3.39Å; L292-N295 PolarHBondContact O-N 3.06Å; L292-N295 VanDerWaalsContact O-N 3.11Å
293G98.4Very high97.4Very high64 Ų6458 Ų5866%0.6630%0.301SS*.THydrogen-bonded Turntrans-64.2-12.8175.800000115K289 T290 I291 N295K289-G293 PolarHBondContact O-N 3.04Å; T290-G293 PolarHBondContact O-N 3.11Å; I291-G293 PolarHBondContact O-N 2.84Å; G293-N295 PolarHBondContact O-N 3.33Å
294L98.4Very high97.2Very high29 Ų2965.6 Ų65.615%0.15233%0.334CS..THydrogen-bonded Turntrans-76.4-7.5173.5-59.7176000112.8P191 Y192 T235 I236 I291 L292 R296P191-L294 HydrophobicContact CB-CB 4.15Å; P191-L294 HydrophobicContact CB-CD1 4.04Å; P191-L294 CarbonylContact O-C 3.43Å; P191-L294 VanDerWaalsContact O-C 3.26Å; Y192-L294 HydrophobicContact CD1-CB 4.16Å; Y192-L294 WeakPolarHBondContact CD1-O 3.41Å; Y192-L294 HydrophobicContact CE1-CB 4.28Å; T235-L294 HydrophobicContact CG2-CD1 4.43Å; T235-L294 HydrophobicContact CG2-CD2 4.38Å; I236-L294 HydrophobicContact CD1-CD1 3.73Å; I236-L294 HydrophobicContact CG1-CD1 4.01Å; I291-L294 WeakPolarHBondContact O-CB 3.36Å; I291-L294 PolarHBondContact O-N 3.09Å; I291-L294 VanDerWaalsContact O-N 3.11Å; L292-L294 PolarHBondContact O-N 2.87Å; L292-L294 VanDerWaalsContact O-N 3.17Å; L294-R296 PolarHBondContact O-N 3.36Å
295N98.3Very high97Very high52 Ų5266.4 Ų66.428%0.27833%0.331SS..  trans-58.1127.8-179.2-172.753.3000110.8P191 Y192 L193 T194 L292 G293 N297P191-N295 VanDerWaalsContact O-CA 3.26Å; P191-N295 WeakPolarHBondContact O-CA 3.46Å; P191-N295 PolarHBondContact O-N 3Å; P191-N295 VanDerWaalsContact O-N 3.14Å; Y192-N295 PolarHBondContact O-OD1 2.83Å; L193-N295 WeakPolarHBondContact CA-OD1 3.14Å; T194-N295 HydrophobicContact CG2-CB 3.68Å; T194-N295 PolarHBondContact N-OD1 2.97Å; L292-N295 WeakPolarHBondContact O-CB 3.39Å; L292-N295 PolarHBondContact O-N 3.06Å; L292-N295 VanDerWaalsContact O-N 3.11Å; G293-N295 PolarHBondContact O-N 3.33Å; N295-N297 PolarHBondContact ND2-OD1 3.08Å
296R96.8Very high96.8Very high125 Ų12558.2 Ų58.247%0.47229%0.293SS..  trans-137.120.7175.855.2167.7164.3-158-17.6112.2Y192 L294 Y298Y192-R296 HydrophobicContact CD1-CG 4.35Å; Y192-R296 VanDerWaalsContact CD2-NH2 3.27Å; Y192-R296 HydrophobicContact CG-CG 4.42Å; Y192-R296 PolarHBondContact O-N 2.87Å; Y192-R296 PolarHBondContact OH-NH2 2.56Å; Y192-R296 VanDerWaalsContact OH-NH2 3.16Å; L294-R296 PolarHBondContact O-N 3.36Å; R296-Y298 PolarHBondContact O-N 3.03Å
297N96.1Very high96.6Very high122 Ų12256 Ų5665%0.65228%0.283SS*.  trans50.332.2-176.4-60.1-32.4000113Y192 N295 R299Y192-N297 PolarHBondContact O-N 3.37Å; N295-N297 PolarHBondContact ND2-OD1 3.08Å; N297-R299 PolarHBondContact O-N 2.92Å
298Y96.1Very high96.3Very high49 Ų4962.6 Ų62.619%0.19231%0.311CS..  trans-84.6111.5-178.7173-92.8000109.5H190 Y192 L193 R220 D227 P228 R296H190-Y298 PolarHBondContact CE1-O 2.94Å; Y192-Y298 PolarHBondContact O-N 3.26Å; L193-Y298 WeakPolarHBondContact CB-O 3.39Å; R220-Y298 PolarHBondContact NH2-OH 3.07Å; D227-Y298 WeakPolarHBondContact CB-OH 3.2Å; D227-Y298 PolarHBondContact OD1-OH 3.47Å; P228-Y298 VanDerWaalsContact CD-CZ 3.48Å; P228-Y298 HydrophobicContact CG-CD1 3.86Å; P228-Y298 HydrophobicContact CG-CD2 4.07Å; P228-Y298 HydrophobicContact CG-CE1 3.68Å; P228-Y298 HydrophobicContact CG-CE2 3.88Å; P228-Y298 HydrophobicContact CG-CG 4.05Å; R296-Y298 PolarHBondContact O-N 3.03Å
299R95.7Very high96.1Very high61 Ų6162.2 Ų62.223%0.2331%0.309CS..  trans-98.5111.2178.2-170.3179.6-71.1-73.40.9110.2E188 L193 N297 F301E188-R299 WeakPolarHBondContact OE2-CG 3.29Å; E188-R299 IonicContact OE2-NH1 2.66Å; L193-R299 HydrophobicContact CD2-CB 4.23Å; L193-R299 HydrophobicContact CD2-CG 4.17Å; N297-R299 PolarHBondContact O-N 2.92Å; R299-F301 VanDerWaalsContact C-N 3.34Å; R299-F301 WeakPolarHBondContact CD-O 3.42Å
300G95.1Very high95.9Very high4 Ų461.4 Ų61.44%0.04131%0.305CS..SBendtrans-73.1-24.7174.700000113E188 R220 W222 P302E188-G300 VanDerWaalsContact OE1-CA 3.22Å; E188-G300 WeakPolarHBondContact OE1-CA 3.2Å; E188-G300 PolarHBondContact OE1-N 3.04Å; R220-G300 WeakPolarHBondContact CD-O 3.36Å; R220-G300 PolarHBondContact NE-O 3.08Å; W222-G300 PolarHBondContact NE1-O 2.83Å; G300-P302 WeakPolarHBondContact O-CD 3.31Å
301F95.1Very high95.7Very high37 Ų3759.2 Ų59.216%0.16229%0.291CS..  trans-118.582.6173.6-174.8-136.6000112.8F114 E188 F212 W222 R299 A303F114-F301 AromaticContact CE2-CE1 3.81Å; F114-F301 HydrophobicContact CE2-CE1 3.81Å; F114-F301 HydrophobicContact CE2-CZ 4.17Å; F114-F301 HydrophobicContact CZ-CD1 4.27Å; F114-F301 AromaticContact CZ-CE1 3.39Å; F114-F301 HydrophobicContact CZ-CE1 3.39Å; F114-F301 AromaticContact CZ-CZ 3.88Å; F114-F301 HydrophobicContact CZ-CZ 3.88Å; E188-F301 PolarHBondContact OE1-N 3.23Å; E188-F301 WeakPolarHBondContact OE2-CB 3.26Å; E188-F301 PolarHBondContact OE2-N 2.9Å; F212-F301 HydrophobicContact CE2-CB 4.31Å; F212-F301 AromaticContact CE2-CD1 3.96Å; F212-F301 HydrophobicContact CE2-CD1 3.96Å; F212-F301 AromaticContact CZ-CD1 3.86Å; F212-F301 HydrophobicContact CZ-CD1 3.86Å; W222-F301 AromaticContact CH2-CD2 3.55Å; W222-F301 HydrophobicContact CH2-CD2 3.55Å; W222-F301 AromaticContact CH2-CE2 3.62Å; W222-F301 HydrophobicContact CH2-CE2 3.62Å; W222-F301 HydrophobicContact CZ2-CB 4.28Å; W222-F301 AromaticContact CZ2-CD2 3.2Å; W222-F301 HydrophobicContact CZ2-CD2 3.2Å; W222-F301 AromaticContact CZ2-CE2 3.8Å; W222-F301 HydrophobicContact CZ2-CE2 3.8Å; W222-F301 HydrophobicContact CZ2-CG 4.07Å; W222-F301 HydrophobicContact CZ3-CE2 4.48Å; R299-F301 VanDerWaalsContact C-N 3.34Å; R299-F301 WeakPolarHBondContact CD-O 3.42Å; F301-A303 HydrophobicContact CZ-CB 4.4Å; F301-A303 PolarHBondContact O-N 3.29Å
302P94.3Very high95.7Very high30 Ų3060.3 Ų60.320%0.19530%0.295CS..  trans-76.6-2.3179.830.9-37.6000114.7G300 K304 Y312G300-P302 WeakPolarHBondContact O-CD 3.31Å; P302-K304 VanDerWaalsContact C-N 3.27Å; P302-K304 HydrophobicContact CB-CG 4.33Å; P302-K304 HydrophobicContact CG-CD 4.48Å; P302-K304 HydrophobicContact CG-CG 3.9Å; P302-K304 PolarHBondContact O-N 2.96Å; P302-Y312 WeakPolarHBondContact O-CE2 3.47Å; P302-Y312 PolarHBondContact O-OH 3.41Å
303A95.2Very high95.6Very high1 Ų158.4 Ų58.41%0.00829%0.286CS..  trans46.148.5-17500000113.3F114 F301 W305 A306 Y312 F314F114-A303 HydrophobicContact CE1-CB 3.75Å; F114-A303 HydrophobicContact CZ-CB 3.97Å; F301-A303 HydrophobicContact CZ-CB 4.4Å; F301-A303 PolarHBondContact O-N 3.29Å; A303-W305 HydrophobicContact CB-CZ2 3.94Å; A303-W305 PolarHBondContact O-N 2.87Å; A303-A306 PolarHBondContact O-N 2.91Å; A303-Y312 HydrophobicContact CB-CE2 4.43Å; A303-F314 HydrophobicContact CB-CE2 3.91Å
304K93.9Very high95.6Very high164 Ų16457.3 Ų57.371%0.71326%0.263SS*.G310 helixtrans-51.1-25.9-175.1-75.9-178.8-177-178.50114.1P302 A306 V307P302-K304 VanDerWaalsContact C-N 3.27Å; P302-K304 HydrophobicContact CB-CG 4.33Å; P302-K304 HydrophobicContact CG-CD 4.48Å; P302-K304 HydrophobicContact CG-CG 3.9Å; P302-K304 PolarHBondContact O-N 2.96Å; K304-A306 PolarHBondContact O-N 3.39Å; K304-V307 VanDerWaalsContact O-CG2 3.31Å; K304-V307 WeakPolarHBondContact O-CG2 3.45Å
305W93.8Very high95.4Very high59 Ų5962.1 Ų62.122%0.22329%0.289CS..G310 helixtrans-64.4-19.6176.753.3-104.5000113.7W82 F114 V116 M118 F125 I133 A303W82-W305 HydrophobicContact CH2-CH2 4.5Å; W82-W305 HydrophobicContact CH2-CZ2 4.16Å; F114-W305 HydrophobicContact CB-CH2 4.3Å; F114-W305 AromaticContact CD1-CH2 3.89Å; F114-W305 HydrophobicContact CD1-CH2 3.89Å; F114-W305 HydrophobicContact CD1-CZ2 4.19Å; F114-W305 AromaticContact CD2-CH2 4Å; F114-W305 HydrophobicContact CD2-CH2 4Å; F114-W305 HydrophobicContact CD2-CZ2 4.01Å; F114-W305 HydrophobicContact CE1-CH2 4.19Å; F114-W305 HydrophobicContact CE1-CZ2 4.04Å; F114-W305 HydrophobicContact CE2-CH2 4.3Å; F114-W305 AromaticContact CE2-CZ2 3.86Å; F114-W305 HydrophobicContact CE2-CZ2 3.86Å; F114-W305 AromaticContact CG-CH2 3.79Å; F114-W305 HydrophobicContact CG-CH2 3.79Å; F114-W305 HydrophobicContact CG-CZ2 4.18Å; F114-W305 HydrophobicContact CZ-CH2 4.39Å; F114-W305 AromaticContact CZ-CZ2 3.87Å; F114-W305 HydrophobicContact CZ-CZ2 3.87Å; V116-W305 HydrophobicContact CB-CZ3 4.29Å; V116-W305 HydrophobicContact CG1-CZ3 4.03Å; M118-W305 HydrophobicContact CE-CD2 4.1Å; M118-W305 HydrophobicContact CE-CE3 3.2Å; M118-W305 HydrophobicContact CE-CH2 3.68Å; M118-W305 HydrophobicContact CE-CZ2 4.46Å; M118-W305 HydrophobicContact CE-CZ3 2.95Å; F125-W305 HydrophobicContact CD1-CG 4.41Å; F125-W305 AromaticContact CE1-CD1 3.94Å; F125-W305 HydrophobicContact CE1-CD2 4.04Å; F125-W305 AromaticContact CE1-CE2 3.95Å; F125-W305 HydrophobicContact CE1-CG 4.07Å; F125-W305 AromaticContact CE1-NE1 3.88Å; I133-W305 HydrophobicContact CD1-CB 4.33Å; I133-W305 HydrophobicContact CG1-CB 3.78Å; I133-W305 HydrophobicContact CG1-CE3 4.41Å; I133-W305 VanDerWaalsContact CG1-O 3.22Å; I133-W305 WeakPolarHBondContact CG1-O 3.33Å; A303-W305 HydrophobicContact CB-CZ2 3.94Å; A303-W305 PolarHBondContact O-N 2.87Å
306A94.5Very high95.2Very high2 Ų261.3 Ų61.32%0.01729%0.289CS..G310 helixtrans-107.1-0.8-177.800000115.2V116 A303 K304 K308 H309 Y312V116-A306 HydrophobicContact CG1-CB 4.29Å; V116-A306 HydrophobicContact CG2-CB 3.98Å; A303-A306 PolarHBondContact O-N 2.91Å; K304-A306 PolarHBondContact O-N 3.39Å; A306-K308 PolarHBondContact O-N 3.42Å; A306-H309 VanDerWaalsContact O-CB 3.26Å; A306-H309 WeakPolarHBondContact O-CB 3.34Å; A306-H309 PolarHBondContact O-N 3.32Å; A306-Y312 HydrophobicContact CB-CD2 3.81Å; A306-Y312 HydrophobicContact CB-CE2 4.48Å; A306-Y312 WeakPolarHBondContact O-CB 3.22Å
307V94.8Very high94.9Very high71 Ų7162.3 Ų62.343%0.4330%0.299SS..THydrogen-bonded Turntrans-57.1-24.5-169.7-69.60000115K304 Y312K304-V307 VanDerWaalsContact O-CG2 3.31Å; K304-V307 WeakPolarHBondContact O-CG2 3.45Å; V307-Y312 HydrophobicContact CG1-CE1 4.18Å; V307-Y312 HydrophobicContact CG1-CE2 3.94Å
308K92.4Very high94.5Very high155 Ų15559.7 Ų59.767%0.67428%0.28SS*.THydrogen-bonded Turntrans-88.6-9.7177.5-67.1-178.5170.5-174.70113.8E132 A306E132-K308 IonicContact OE1-NZ 3.76Å; E132-K308 PolarHBondContact OE1-NZ 2.87Å; E132-K308 WeakPolarHBondContact OE2-CD 3.49Å; E132-K308 IonicContact OE2-NZ 2.58Å; E132-K308 PolarHBondContact OE2-NZ 3.18Å; A306-K308 PolarHBondContact O-N 3.42Å
309H94.6Very high94.5Very high15 Ų1560.2 Ų60.27%0.06929%0.285CS..SBendtrans-75140.4-179.3-168.5-98.4000110.8V116 C135 A306 D311 Y312V116-H309 HydrophobicContact CG1-CB 4.02Å; V116-H309 HydrophobicContact CG2-CB 4.33Å; C135-H309 PolarHBondContact SG-CD2 3.23Å; A306-H309 VanDerWaalsContact O-CB 3.26Å; A306-H309 WeakPolarHBondContact O-CB 3.34Å; A306-H309 PolarHBondContact O-N 3.32Å; H309-D311 IonicContact CE1-OD2 3.64Å; H309-D311 PolarHBondContact CE1-OD2 2.88Å; H309-D311 VanDerWaalsContact CE1-OD2 3.26Å; H309-D311 WeakPolarHBondContact ND1-CB 3.47Å; H309-D311 PolarHBondContact ND1-N 2.81Å; H309-D311 IonicContact ND1-OD2 2.66Å; H309-D311 PolarHBondContact O-N 3.32Å; H309-Y312 VanDerWaalsContact O-CB 3.29Å; H309-Y312 WeakPolarHBondContact O-CB 3.37Å; H309-Y312 PolarHBondContact O-N 2.75Å
310K93.7Very high94.4Very high139 Ų13960.2 Ų60.260%0.60429%0.288SS*.THydrogen-bonded Turntrans-55.8-35.717966.1-176.3-179.8-174.70112.9
311D96.2Very high94.4Very high22 Ų2263.3 Ų63.312%0.11830%0.301CS..THydrogen-bonded Turntrans-95.819-179.5-57.5-55.3000112.9P115 F140 Q168 H309 P313P115-D311 HydrophobicContact CB-CB 4.31Å; P115-D311 WeakPolarHBondContact CG-O 3.47Å; P115-D311 WeakPolarHBondContact O-CB 3.45Å; F140-D311 HydrophobicContact CD1-CB 4.49Å; Q168-D311 PolarHBondContact NE2-O 2.92Å; H309-D311 IonicContact CE1-OD2 3.64Å; H309-D311 PolarHBondContact CE1-OD2 2.88Å; H309-D311 VanDerWaalsContact CE1-OD2 3.26Å; H309-D311 WeakPolarHBondContact ND1-CB 3.47Å; H309-D311 PolarHBondContact ND1-N 2.81Å; H309-D311 IonicContact ND1-OD2 2.66Å; H309-D311 PolarHBondContact O-N 3.32Å; D311-P313 VanDerWaalsContact O-CD 3.31Å; D311-P313 WeakPolarHBondContact O-CD 3.5Å; D311-P313 VanDerWaalsContact O-N 3.12Å
312Y97.6Very high94.3Very high24 Ų2464.8 Ų64.89%0.09431%0.309CS..  trans-58.9118174.5176.8-110.5000110.5P302 A303 A306 V307 H309 F314 N315P302-Y312 WeakPolarHBondContact O-CE2 3.47Å; P302-Y312 PolarHBondContact O-OH 3.41Å; A303-Y312 HydrophobicContact CB-CE2 4.43Å; A306-Y312 HydrophobicContact CB-CD2 3.81Å; A306-Y312 HydrophobicContact CB-CE2 4.48Å; A306-Y312 WeakPolarHBondContact O-CB 3.22Å; V307-Y312 HydrophobicContact CG1-CE1 4.18Å; V307-Y312 HydrophobicContact CG1-CE2 3.94Å; H309-Y312 VanDerWaalsContact O-CB 3.29Å; H309-Y312 WeakPolarHBondContact O-CB 3.37Å; H309-Y312 PolarHBondContact O-N 2.75Å; Y312-F314 HydrophobicContact CE1-CB 3.78Å; Y312-F314 HydrophobicContact CE2-CB 4.41Å; Y312-F314 AromaticContact CE2-CD2 3.76Å; Y312-F314 HydrophobicContact CE2-CD2 3.76Å; Y312-F314 HydrophobicContact CE2-CG 4.41Å; Y312-F314 AromaticContact CZ-CD2 3.74Å; Y312-F314 PolarHBondContact O-N 2.84Å; Y312-N315 HydrophobicContact CD1-CB 4.35Å; Y312-N315 WeakPolarHBondContact CD1-OD1 3.49Å; Y312-N315 WeakPolarHBondContact CE1-OD1 3.12Å
313P97.5Very high94.3Very high2 Ų267 Ų671%0.01332%0.317CS..G310 helixtrans-73.8-26-164.725.1-33.7000113.8P115 N163 N165 D311 N315P115-P313 HydrophobicContact CG-CB 4.04Å; P115-P313 HydrophobicContact CG-CG 4.1Å; N163-P313 HydrophobicContact CB-CG 4.41Å; N163-P313 WeakPolarHBondContact O-CB 3.37Å; N163-P313 WeakPolarHBondContact O-CG 3.49Å; N165-P313 PolarHBondContact ND2-O 2.88Å; D311-P313 VanDerWaalsContact O-CD 3.31Å; D311-P313 WeakPolarHBondContact O-CD 3.5Å; D311-P313 VanDerWaalsContact O-N 3.12Å; P313-N315 PolarHBondContact O-N 3.2Å
314F97.4Very high94.3Very high41 Ų4171.4 Ų71.418%0.1834%0.337CS..G310 helixtrans-94.211.6-165.4-46-42.9000114.5F114 N163 A303 Y312F114-F314 HydrophobicContact CE1-CE2 4.39Å; F114-F314 HydrophobicContact CE1-CZ 4.25Å; N163-F314 HydrophobicContact CB-CE1 4.27Å; N163-F314 HydrophobicContact CB-CZ 4.01Å; A303-F314 HydrophobicContact CB-CE2 3.91Å; Y312-F314 HydrophobicContact CE1-CB 3.78Å; Y312-F314 HydrophobicContact CE2-CB 4.41Å; Y312-F314 AromaticContact CE2-CD2 3.76Å; Y312-F314 HydrophobicContact CE2-CD2 3.76Å; Y312-F314 HydrophobicContact CE2-CG 4.41Å; Y312-F314 AromaticContact CZ-CD2 3.74Å; Y312-F314 PolarHBondContact O-N 2.84Å
315N94.5Very high94.3Very high130 Ų13064.8 Ų64.870%0.69531%0.31SS*.G310 helixtrans-80.3-25.8165-74.4-17.9000111.9Y312 P313Y312-N315 HydrophobicContact CD1-CB 4.35Å; Y312-N315 WeakPolarHBondContact CD1-OD1 3.49Å; Y312-N315 WeakPolarHBondContact CE1-OD1 3.12Å; P313-N315 PolarHBondContact O-N 3.2Å
316A93.1Very high94.3Very high34 Ų3465.2 Ų65.228%0.28132%0.317SS..SBendtrans-73.3157.4174.900000111N165 Y318N165-A316 HydrophobicContact CB-CB 3.98Å; N165-A316 WeakPolarHBondContact ND2-CB 3.47Å; A316-Y318 PolarHBondContact O-N 3.27Å
317E90.8Very high94.3Very high147 Ų14770.5 Ų70.569%0.68734%0.342SS*.  trans-62.7-40.7179.4-171.1-171.5-165.800112.4K197K197-E317 VanDerWaalsContact NZ-CD 3.34Å; K197-E317 IonicContact NZ-OE1 3Å; K197-E317 PolarHBondContact NZ-OE1 2.58Å; K197-E317 IonicContact NZ-OE2 3.06Å
318Y89.3Confident94.3Very high66 Ų6670.5 Ų70.526%0.25933%0.334SS..  trans-1580179.562.7-83.1000112.8N165 K166 K197 M198 A316N165-Y318 WeakPolarHBondContact CA-OXT 3.34Å; K166-Y318 HydrophobicContact CB-CD2 4.08Å; K166-Y318 HydrophobicContact CB-CE2 3.95Å; K166-Y318 WeakPolarHBondContact CB-O 3.46Å; K166-Y318 HydrophobicContact CD-CD2 4.43Å; K166-Y318 HydrophobicContact CD-CE2 3.51Å; K166-Y318 WeakPolarHBondContact CD-OH 3.43Å; K166-Y318 HydrophobicContact CG-CE2 4.2Å; K166-Y318 PolarHBondContact N-O 3.15Å; K166-Y318 PolarHBondContact NZ-OH 2.81Å; K197-Y318 HydrophobicContact CB-CD1 3.88Å; K197-Y318 HydrophobicContact CB-CD2 3.8Å; K197-Y318 HydrophobicContact CB-CE1 4.3Å; K197-Y318 HydrophobicContact CB-CE2 4.18Å; K197-Y318 HydrophobicContact CB-CG 3.63Å; K197-Y318 HydrophobicContact CD-CD1 3.78Å; K197-Y318 HydrophobicContact CD-CE1 4Å; K197-Y318 HydrophobicContact CD-CG 4.37Å; K197-Y318 HydrophobicContact CG-CD1 4.49Å; M198-Y318 HydrophobicContact CB-CD2 4.42Å; M198-Y318 HydrophobicContact SD-CD2 4.03Å; A316-Y318 PolarHBondContact O-N 3.27Å

Retrieved 318 of 318 residues in 274.1 ms (Link to these results)

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