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Fructose-bisphosphate aldolase C

Catalyzes the reversible conversion of beta-D-fructose 1,6-bisphosphate (FBP) into two triose phosphate and plays a key role in glycolysis and gluconeogenesis.

AlphaFold DB , UniProt , Accession P09972, Species HUMAN (Homo sapiens, Human), Gene ALDOC, Length 364 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
1M68.5Low93.7Very high212 Ų212110.1 Ų110.1100%1.04462%0.615SS**  0143.40-71.9-161.8-85.400108H3M1-H3 PolarHBondContact O-CD2 2.78Å
2P86.8Confident94.1Very high135 Ų135106.5 Ų106.588%0.87759%0.589SS**  trans-62.7143.6168.827.6-32.7000110
3H93.4Very high94.5Very high151 Ų151104.5 Ų104.570%0.69957%0.571SS**  trans-107.1143.8176.1-71.4-89.7000109.9M1 Y5M1-H3 PolarHBondContact O-CD2 2.78Å; H3-Y5 HydrophobicContact CB-CE2 3.98Å
4S95.1Very high94.8Very high107 Ų107106.2 Ų106.275%0.74857%0.57SS**  trans-90.2123.2178.5-174.60000110.8
5Y97Very high95.1Very high195 Ų195104.4 Ų104.477%0.76556%0.557SS**  trans-117.3100.9163.2-64.8-89.9000106.1H3 A7H3-Y5 HydrophobicContact CB-CE2 3.98Å; Y5-A7 PolarHBondContact O-N 3.03Å; Y5-A7 VanDerWaalsContact O-N 3.13Å
6P97.1Very high95.3Very high106 Ų10697.9 Ų97.969%0.68852%0.522SS*.  trans-57.5120.5-172.2-26.534.7000111.7L8P6-L8 VanDerWaalsContact C-N 3.28Å; P6-L8 PolarHBondContact O-N 3Å
7A98.3Very high95.5Very high39 Ų3993.5 Ų93.532%0.32250%0.501SS..SBendtrans-70.1-25.9176.400000112.5Y5 Q180Y5-A7 PolarHBondContact O-N 3.03Å; Y5-A7 VanDerWaalsContact O-N 3.13Å; A7-Q180 PolarHBondContact O-NE2 3.43Å
8L98.7Very high95.7Very high11 Ų1192.1 Ų92.16%0.05849%0.493CS..SBendtrans-138.2143.7-174.8-60.1170.8000111.1P6 Q12 K13 L16 Q179 Y223P6-L8 VanDerWaalsContact C-N 3.28Å; P6-L8 PolarHBondContact O-N 3Å; L8-Q12 HydrophobicContact CB-CB 4.12Å; L8-Q12 HydrophobicContact CD2-CB 4.15Å; L8-K13 HydrophobicContact CB-CG 3.91Å; L8-K13 HydrophobicContact CD1-CG 4.19Å; L8-L16 HydrophobicContact CD1-CD1 3.69Å; L8-L16 HydrophobicContact CD2-CD1 4.43Å; L8-Q179 HydrophobicContact CD1-CB 4.24Å; L8-Q179 HydrophobicContact CD2-CB 4.3Å; L8-Y223 HydrophobicContact CD1-CD1 4.35Å; L8-Y223 HydrophobicContact CD1-CG 4.33Å
9S98.6Very high95.9Very high47 Ų4787.4 Ų87.433%0.32947%0.468SS..  trans-69.9170.2167.990.20000111.7E11 Q12 K13S9-E11 VanDerWaalsContact C-N 3.3Å; S9-E11 WeakPolarHBondContact CB-OE2 3.26Å; S9-E11 PolarHBondContact O-N 3Å; S9-E11 PolarHBondContact OG-N 3.45Å; S9-E11 PolarHBondContact OG-OE2 2.9Å; S9-Q12 PolarHBondContact O-N 2.99Å; S9-Q12 PolarHBondContact OG-N 3.21Å; S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact O-N 2.86Å
10A98.6Very high96Very high72 Ų7283 Ų8360%0.59545%0.445SS*.Hα-helixtrans-63.6-38.1175.300000111.8K13 K14A10-K13 PolarHBondContact O-N 3.34Å; A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.45Å
11E98.8Very high96.2Very high136 Ų13683.3 Ų83.364%0.63645%0.446SS*.Hα-helixtrans-66.1-45.2178.6-5968.6-146.300111S9 K13 K14 E15S9-E11 VanDerWaalsContact C-N 3.3Å; S9-E11 WeakPolarHBondContact CB-OE2 3.26Å; S9-E11 PolarHBondContact O-N 3Å; S9-E11 PolarHBondContact OG-N 3.45Å; S9-E11 PolarHBondContact OG-OE2 2.9Å; E11-K13 PolarHBondContact O-N 3.15Å; E11-K14 PolarHBondContact O-N 3.4Å; E11-E15 PolarHBondContact O-N 3.33Å
12Q98.8Very high97.6Very high67 Ų6779 Ų7931%0.31342%0.418SS..Hα-helixtrans-62.3-42.4176-69.8175.8-52.700111.5L8 S9 E15 L16L8-Q12 HydrophobicContact CB-CB 4.12Å; L8-Q12 HydrophobicContact CD2-CB 4.15Å; S9-Q12 PolarHBondContact O-N 2.99Å; S9-Q12 PolarHBondContact OG-N 3.21Å; Q12-E15 PolarHBondContact O-N 3.3Å; Q12-L16 WeakPolarHBondContact O-CG 3.04Å; Q12-L16 PolarHBondContact O-N 3.48Å; Q12-L16 VanDerWaalsContact O-N 3.1Å
13K98.9Very high98.2Very high81 Ų8172.6 Ų72.635%0.35238%0.376SS..Hα-helixtrans-61-45174.5-74.4179.7-179.3-175.80111.8L8 S9 A10 E11 L16 S17 Y223L8-K13 HydrophobicContact CB-CG 3.91Å; L8-K13 HydrophobicContact CD1-CG 4.19Å; S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact O-N 2.86Å; A10-K13 PolarHBondContact O-N 3.34Å; E11-K13 PolarHBondContact O-N 3.15Å; K13-L16 PolarHBondContact O-N 2.89Å; K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.86Å; K13-Y223 HydrophobicContact CB-CD1 4.11Å; K13-Y223 HydrophobicContact CB-CE1 3.6Å; K13-Y223 HydrophobicContact CB-CE2 4.47Å; K13-Y223 HydrophobicContact CD-CD2 4.17Å; K13-Y223 HydrophobicContact CD-CE1 4.48Å; K13-Y223 HydrophobicContact CD-CE2 3.99Å; K13-Y223 HydrophobicContact CD-CG 4.48Å; K13-Y223 HydrophobicContact CG-CD1 3.86Å; K13-Y223 HydrophobicContact CG-CD2 4.22Å; K13-Y223 HydrophobicContact CG-CE1 3.81Å; K13-Y223 HydrophobicContact CG-CE2 4.18Å; K13-Y223 HydrophobicContact CG-CG 4.06Å; K13-Y223 WeakPolarHBondContact O-CE1 3.44Å
14K98.8Very high98.4Very high128 Ų12865.9 Ų65.956%0.55735%0.346SS*.Hα-helixtrans-60.7-47.6178.1-173.8-177.1-177.5-59.10111.2A10 E11 L16 S17 D18A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.45Å; E11-K14 PolarHBondContact O-N 3.4Å; K14-L16 PolarHBondContact O-N 2.83Å; K14-S17 PolarHBondContact O-N 3.18Å; K14-D18 IonicContact NZ-OD1 2.62Å; K14-D18 IonicContact NZ-OD2 3.65Å; K14-D18 PolarHBondContact NZ-OD2 2.93Å; K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 3.35Å
15E98.9Very high98.6Very high79 Ų7962.2 Ų62.237%0.36932%0.322SS..Hα-helixtrans-56.1-51.5178.1-178-175.1-175.600111.6E11 Q12 S17 D18 I19 K139E11-E15 PolarHBondContact O-N 3.33Å; Q12-E15 PolarHBondContact O-N 3.3Å; E15-S17 PolarHBondContact O-N 2.97Å; E15-D18 PolarHBondContact O-N 3.45Å; E15-I19 HydrophobicContact CG-CD1 3.85Å; E15-I19 WeakPolarHBondContact O-CD1 3.36Å; E15-I19 VanDerWaalsContact O-CG1 3.29Å; E15-I19 WeakPolarHBondContact O-CG1 3.44Å; E15-I19 PolarHBondContact O-N 2.84Å; E15-K139 VanDerWaalsContact OE1-CE 3.26Å; E15-K139 WeakPolarHBondContact OE1-CE 3.15Å; E15-K139 IonicContact OE1-NZ 2.74Å; E15-K139 PolarHBondContact OE1-NZ 3.49Å
16L98.9Very high98.7Very high1 Ų158.7 Ų58.71%0.00532%0.323CS..Hα-helixtrans-63-43.5-178.9-68166.9000112.1L8 Q12 K13 K14 I19 A20 Q179 V184L8-L16 HydrophobicContact CD1-CD1 3.69Å; L8-L16 HydrophobicContact CD2-CD1 4.43Å; Q12-L16 WeakPolarHBondContact O-CG 3.04Å; Q12-L16 PolarHBondContact O-N 3.48Å; Q12-L16 VanDerWaalsContact O-N 3.1Å; K13-L16 PolarHBondContact O-N 2.89Å; K14-L16 PolarHBondContact O-N 2.83Å; L16-I19 PolarHBondContact O-N 3.07Å; L16-A20 WeakPolarHBondContact O-CB 3.5Å; L16-A20 PolarHBondContact O-N 2.96Å; L16-Q179 HydrophobicContact CD1-CB 3.88Å; L16-Q179 HydrophobicContact CD1-CG 3.88Å; L16-V184 HydrophobicContact CB-CG2 4.24Å; L16-V184 HydrophobicContact CD2-CG2 3.88Å; L16-V184 WeakPolarHBondContact O-CG2 3.39Å
17S98.9Very high98.7Very high23 Ų2353.9 Ų53.916%0.16129%0.293CS..Hα-helixtrans-63.4-45.2177.8-176.70000111.7K13 K14 E15 I19 A20 L21K13-S17 WeakPolarHBondContact O-CB 3.45Å; K13-S17 PolarHBondContact O-N 2.86Å; K14-S17 PolarHBondContact O-N 3.18Å; E15-S17 PolarHBondContact O-N 2.97Å; S17-I19 PolarHBondContact O-N 3.09Å; S17-A20 PolarHBondContact O-N 2.93Å; S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CG 3.46Å; S17-L21 PolarHBondContact O-N 2.95Å
18D98.9Very high98.7Very high67 Ų6754.3 Ų54.336%0.35829%0.287SS..Hα-helixtrans-62.5-42.3178-71.8-14.9000111.5K14 E15 R22K14-D18 IonicContact NZ-OD1 2.62Å; K14-D18 IonicContact NZ-OD2 3.65Å; K14-D18 PolarHBondContact NZ-OD2 2.93Å; K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 3.35Å; E15-D18 PolarHBondContact O-N 3.45Å; D18-R22 WeakPolarHBondContact O-CB 3.39Å; D18-R22 VanDerWaalsContact O-CG 3.27Å; D18-R22 WeakPolarHBondContact O-CG 3.23Å; D18-R22 PolarHBondContact O-N 3.35Å
19I98.9Very high98.7Very high3 Ų353.8 Ų53.82%0.01529%0.285CS..Hα-helixtrans-60.3-51.2173.9-69160.6000110.3E15 L16 S17 L21 R22 I23 V104 D144 V184E15-I19 HydrophobicContact CG-CD1 3.85Å; E15-I19 WeakPolarHBondContact O-CD1 3.36Å; E15-I19 VanDerWaalsContact O-CG1 3.29Å; E15-I19 WeakPolarHBondContact O-CG1 3.44Å; E15-I19 PolarHBondContact O-N 2.84Å; L16-I19 PolarHBondContact O-N 3.07Å; S17-I19 PolarHBondContact O-N 3.09Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.17Å; I19-R22 VanDerWaalsContact CG1-NH2 3.32Å; I19-R22 PolarHBondContact O-N 3.37Å; I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.35Å; I19-I23 PolarHBondContact O-N 3.44Å; I19-I23 VanDerWaalsContact O-N 3.15Å; I19-V104 HydrophobicContact CG2-CG1 4.24Å; I19-D144 HydrophobicContact CD1-CB 4.06Å; I19-D144 HydrophobicContact CG1-CB 4.26Å; I19-D144 HydrophobicContact CG2-CB 3.93Å; I19-V184 HydrophobicContact CB-CG2 3.64Å; I19-V184 HydrophobicContact CD1-CG2 4.43Å; I19-V184 HydrophobicContact CG2-CB 4.08Å; I19-V184 HydrophobicContact CG2-CG2 3.49Å; I19-V184 VanDerWaalsContact CG2-CG2 3.49Å
20A98.9Very high98.8Very high0 Ų051.6 Ų51.60%027%0.269CS..Hα-helixtrans-59.7-45.3-176.500000111.5L16 S17 R22 I23 V24 V184 L228 P266L16-A20 WeakPolarHBondContact O-CB 3.5Å; L16-A20 PolarHBondContact O-N 2.96Å; S17-A20 PolarHBondContact O-N 2.93Å; A20-R22 PolarHBondContact O-N 3.1Å; A20-I23 PolarHBondContact O-N 3.21Å; A20-V24 WeakPolarHBondContact O-CG2 3.4Å; A20-V24 PolarHBondContact O-N 3.34Å; A20-V184 HydrophobicContact CB-CG1 4.02Å; A20-V184 HydrophobicContact CB-CG2 4.31Å; A20-L228 HydrophobicContact CB-CD2 4.48Å; A20-P266 HydrophobicContact CB-CG 3.64Å
21L98.8Very high98.8Very high90 Ų9048.2 Ų48.247%0.47124%0.241SC..Hα-helixtrans-65.2-36.4177.1-70.4170.7000113S17 I19 I23 V24 A25 P266S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CG 3.46Å; S17-L21 PolarHBondContact O-N 2.95Å; I19-L21 VanDerWaalsContact C-N 3.34Å; I19-L21 PolarHBondContact O-N 3.17Å; L21-I23 VanDerWaalsContact C-N 3.32Å; L21-I23 PolarHBondContact O-N 3.23Å; L21-V24 PolarHBondContact O-N 2.73Å; L21-A25 PolarHBondContact O-N 2.76Å; L21-P266 HydrophobicContact CD2-CB 3.81Å; L21-P266 HydrophobicContact CG-CB 4.37Å
22R98.7Very high98.8Very high122 Ų12241.9 Ų41.946%0.4621%0.212SC..Hα-helixtrans-61.7-39.9174.4-78.8-172.9-60.4145-1.5112.1D18 I19 A20 V24 V104 D144D18-R22 WeakPolarHBondContact O-CB 3.39Å; D18-R22 VanDerWaalsContact O-CG 3.27Å; D18-R22 WeakPolarHBondContact O-CG 3.23Å; D18-R22 PolarHBondContact O-N 3.35Å; I19-R22 VanDerWaalsContact CG1-NH2 3.32Å; I19-R22 PolarHBondContact O-N 3.37Å; A20-R22 PolarHBondContact O-N 3.1Å; R22-V24 VanDerWaalsContact C-N 3.34Å; R22-V104 HydrophobicContact CB-CG2 4.18Å; R22-D144 IonicContact NH2-OD2 3.45Å; R22-D144 PolarHBondContact NH2-OD2 3.26Å
23I98.9Very high98.7Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-64.6-40.3-178.8-66163.6000111.1I19 A20 L21 I30 G75 V104 F145 L228I19-I23 HydrophobicContact CG2-CD1 3.88Å; I19-I23 WeakPolarHBondContact O-CG1 3.35Å; I19-I23 PolarHBondContact O-N 3.44Å; I19-I23 VanDerWaalsContact O-N 3.15Å; A20-I23 PolarHBondContact O-N 3.21Å; L21-I23 VanDerWaalsContact C-N 3.32Å; L21-I23 PolarHBondContact O-N 3.23Å; I23-I30 HydrophobicContact CG2-CD1 3.47Å; I23-I30 VanDerWaalsContact CG2-CD1 3.47Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I23-G75 WeakPolarHBondContact O-CA 3.16Å; I23-V104 HydrophobicContact CD1-CG1 4.33Å; I23-V104 HydrophobicContact CG1-CB 3.91Å; I23-V104 HydrophobicContact CG1-CG1 4.16Å; I23-V104 HydrophobicContact CG1-CG2 3.92Å; I23-F145 HydrophobicContact CD1-CB 3.81Å; I23-F145 HydrophobicContact CD1-CD1 3.64Å; I23-F145 HydrophobicContact CD1-CD2 4.28Å; I23-F145 HydrophobicContact CD1-CE1 4.18Å; I23-F145 HydrophobicContact CD1-CG 3.68Å; I23-F145 HydrophobicContact CG1-CD1 4.35Å; I23-F145 HydrophobicContact CG1-CE1 4.5Å; I23-L228 HydrophobicContact CB-CD1 4.06Å; I23-L228 HydrophobicContact CD1-CD1 4.05Å; I23-L228 HydrophobicContact CG2-CD1 3.72Å
24V98.8Very high98.7Very high9 Ų935.3 Ų35.36%0.05518%0.183CC..THydrogen-bonded Turntrans-107.823.3-174.8-570000113.8A20 L21 R22 L228 T269 A297 T299A20-V24 WeakPolarHBondContact O-CG2 3.4Å; A20-V24 PolarHBondContact O-N 3.34Å; L21-V24 PolarHBondContact O-N 2.73Å; R22-V24 VanDerWaalsContact C-N 3.34Å; V24-L228 HydrophobicContact CG1-CD1 4.03Å; V24-L228 HydrophobicContact CG1-CD2 3.61Å; V24-L228 HydrophobicContact CG1-CG 4.49Å; V24-L228 HydrophobicContact CG2-CD2 4.21Å; V24-T269 HydrophobicContact CG1-CG2 3.59Å; V24-A297 HydrophobicContact CB-CB 3.83Å; V24-A297 HydrophobicContact CG2-CB 3.83Å; V24-T299 HydrophobicContact CB-CG2 4.32Å; V24-T299 HydrophobicContact CG1-CG2 3.99Å
25A98.7Very high98.7Very high30 Ų3030.4 Ų30.425%0.24816%0.162CC..  trans-53.8152.2175.200000111L21 G27 K28L21-A25 PolarHBondContact O-N 2.76Å; A25-G27 PolarHBondContact O-N 2.74Å; A25-K28 HydrophobicContact CB-CD 4.18Å; A25-K28 HydrophobicContact CB-CG 4.37Å; A25-K28 WeakPolarHBondContact O-CA 3.26Å; A25-K28 VanDerWaalsContact O-CB 3.25Å; A25-K28 WeakPolarHBondContact O-CB 3.42Å; A25-K28 PolarHBondContact O-N 2.83Å
26P98.5Very high98.5Very high122 Ų12227.8 Ų27.879%0.79215%0.152SC*.THydrogen-bonded Turntrans-51128.1-173.6-29.735.9000113.7K28P26-K28 VanDerWaalsContact C-N 3.25Å; P26-K28 PolarHBondContact O-N 3.48Å
27G97.9Very high98.3Very high5 Ų530.5 Ų30.55%0.05217%0.169CC..THydrogen-bonded Turntrans80.3-3.3-177.300000115.3A25 K72 C73 G336A25-G27 PolarHBondContact O-N 2.74Å; G27-K72 CarbonylContact C-O 3.51Å; G27-C73 WeakPolarHBondContact O-CA 3.45Å; G27-G336 WeakPolarHBondContact O-CA 3.5Å
28K98.9Very high98.1Very high48 Ų4831.4 Ų31.421%0.20918%0.182CC..  trans-99.4144.7178.1-57.6-162.4-177.2-158.90112.7A25 P26 K71 C73 T299A25-K28 HydrophobicContact CB-CD 4.18Å; A25-K28 HydrophobicContact CB-CG 4.37Å; A25-K28 WeakPolarHBondContact O-CA 3.26Å; A25-K28 VanDerWaalsContact O-CB 3.25Å; A25-K28 WeakPolarHBondContact O-CB 3.42Å; A25-K28 PolarHBondContact O-N 2.83Å; P26-K28 VanDerWaalsContact C-N 3.25Å; P26-K28 PolarHBondContact O-N 3.48Å; K28-K71 WeakPolarHBondContact CE-O 3.48Å; K28-K71 PolarHBondContact NZ-O 2.87Å; K28-C73 CarbonylContact C-O 3.17Å; K28-C73 VanDerWaalsContact CA-O 3.27Å; K28-C73 WeakPolarHBondContact CA-O 3.4Å; K28-T299 WeakPolarHBondContact O-CB 3.36Å; K28-T299 PolarHBondContact O-OG1 3.12Å
29G98.8Very high97.9Very high0 Ų028.6 Ų28.60%017%0.168CC..EExtended strand (participates in β ladder)trans-136.7-157.5167.700000111.6C73 G75 G76 T299 F300G29-C73 PolarHBondContact N-O 3.05Å; G29-G75 PolarHBondContact O-N 3.42Å; G29-G76 PolarHBondContact O-N 3.46Å; G29-T299 WeakPolarHBondContact CA-OG1 3.5Å; G29-F300 CarbonylContact C-O 3.15Å; G29-F300 WeakPolarHBondContact CA-O 3.21Å
30I99Very high97.7Very high0 Ų028.6 Ų28.60%017%0.167CC..EExtended strand (participates in β ladder)trans-124.9131.3-171.7-60.2170.1000110.4I23 G76 I78 F145 I186 L228 T269 F300 S301 Y302I23-I30 HydrophobicContact CG2-CD1 3.47Å; I23-I30 VanDerWaalsContact CG2-CD1 3.47Å; I23-I30 HydrophobicContact CG2-CG1 3.55Å; I30-G76 VanDerWaalsContact CA-O 3.25Å; I30-G76 WeakPolarHBondContact CA-O 3.34Å; I30-I78 HydrophobicContact CG2-CD1 3.7Å; I30-I78 HydrophobicContact CG2-CG1 3.65Å; I30-F145 HydrophobicContact CD1-CE2 4.45Å; I30-F145 HydrophobicContact CG2-CZ 4.47Å; I30-I186 HydrophobicContact CD1-CD1 3.57Å; I30-L228 HydrophobicContact CD1-CD1 4.47Å; I30-T269 HydrophobicContact CD1-CG2 3.7Å; I30-T269 HydrophobicContact CG1-CG2 4.39Å; I30-F300 PolarHBondContact N-O 3.48Å; I30-S301 CarbonylContact O-C 3.56Å; I30-S301 WeakPolarHBondContact O-CA 3.28Å; I30-Y302 PolarHBondContact O-N 3.08Å
31L98.9Very high97.6Very high1 Ų130.1 Ų30.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-82.6118162.317063.7000108.9A33 L63 F64 G76 V77 I78 L306 Q307 F328L31-A33 HydrophobicContact CD2-CB 4.29Å; L31-A33 HydrophobicContact CG-CB 4.1Å; L31-A33 PolarHBondContact O-N 3.2Å; L31-L63 HydrophobicContact CD2-CB 4.21Å; L31-L63 HydrophobicContact CD2-CD1 4.27Å; L31-F64 HydrophobicContact CD2-CE1 4.1Å; L31-G76 PolarHBondContact N-O 2.81Å; L31-V77 HydrophobicContact CB-CG1 4.06Å; L31-V77 HydrophobicContact CB-CG2 4.27Å; L31-V77 HydrophobicContact CD2-CG1 3.86Å; L31-V77 HydrophobicContact CG-CG1 3.97Å; L31-V77 CarbonylContact O-C 3.59Å; L31-V77 WeakPolarHBondContact O-CA 3.23Å; L31-I78 PolarHBondContact O-N 3.25Å; L31-L306 HydrophobicContact CB-CD1 4.28Å; L31-L306 HydrophobicContact CD1-CB 4.15Å; L31-L306 HydrophobicContact CD1-CD1 4.1Å; L31-Q307 HydrophobicContact CD1-CG 4.02Å; L31-F328 HydrophobicContact CD1-CE2 4.03Å; L31-F328 HydrophobicContact CD2-CE2 3.98Å; L31-F328 HydrophobicContact CD2-CZ 3.86Å; L31-F328 HydrophobicContact CG-CE2 4.4Å
32A98.6Very high97.3Very high4 Ų430.6 Ų30.63%0.03318%0.179CC..EExtended strand (participates in β ladder)trans-93.188.817400000109.6I78 Y302 G303 Q307A32-I78 HydrophobicContact CB-CD1 4.04Å; A32-Y302 PolarHBondContact N-O 3.48Å; A32-G303 VanDerWaalsContact O-CA 3.27Å; A32-G303 WeakPolarHBondContact O-CA 3.48Å; A32-Q307 PolarHBondContact O-NE2 3.44Å
33A98.5Very high97.1Very high0 Ų026.2 Ų26.20%016%0.162CC..EExtended strand (participates in β ladder)trans-105.132.7-179.900000111.7L31 E35 R60 L63 F64 V77 I78L31-A33 HydrophobicContact CD2-CB 4.29Å; L31-A33 HydrophobicContact CG-CB 4.1Å; L31-A33 PolarHBondContact O-N 3.2Å; A33-E35 WeakPolarHBondContact CA-OE2 3.45Å; A33-R60 PolarHBondContact O-NE 2.98Å; A33-R60 PolarHBondContact O-NH2 3.48Å; A33-L63 HydrophobicContact CB-CD1 4.47Å; A33-F64 HydrophobicContact CB-CE1 4.35Å; A33-F64 HydrophobicContact CB-CZ 4.35Å; A33-V77 HydrophobicContact CB-CG1 4.27Å; A33-I78 CarbonylContact C-O 3.53Å; A33-I78 WeakPolarHBondContact CA-O 3.34Å; A33-I78 PolarHBondContact N-O 3.28Å
34D98.5Very high97Very high9 Ų926.2 Ų26.25%0.04816%0.162CC..  trans-103.720.8-17166.8-59.9000114S36 I78 F79 K108 K147D34-S36 PolarHBondContact O-N 3.48Å; D34-I78 HydrophobicContact CB-CB 4.05Å; D34-I78 HydrophobicContact CB-CG2 3.56Å; D34-I78 PolarHBondContact N-O 3.25Å; D34-F79 WeakPolarHBondContact CB-O 3.22Å; D34-K108 HydrophobicContact CB-CB 3.82Å; D34-K108 HydrophobicContact CB-CD 4.41Å; D34-K108 WeakPolarHBondContact OD2-CD 3.13Å; D34-K147 WeakPolarHBondContact OD2-CD 3.33Å; D34-K147 WeakPolarHBondContact OD2-CE 3.4Å; D34-K147 IonicContact OD2-NZ 3.28Å; D34-K147 PolarHBondContact OD2-NZ 2.72Å
35E97.3Very high96.9Very high26 Ų2629.6 Ų29.612%0.12119%0.186CC..  trans-53.4128.4170.6-64.891.6169.500110.3A33 M40 R60 Q307A33-E35 WeakPolarHBondContact CA-OE2 3.45Å; E35-M40 HydrophobicContact CB-CG 3.57Å; E35-M40 HydrophobicContact CB-SD 3.56Å; E35-M40 VanDerWaalsContact CB-SD 3.56Å; E35-M40 HydrophobicContact CG-SD 3.87Å; E35-R60 IonicContact OE2-CZ 3.27Å; E35-R60 IonicContact OE2-NH1 3.27Å; E35-R60 IonicContact OE2-NH2 2.74Å; E35-R60 PolarHBondContact OE2-NH2 2.96Å; E35-Q307 PolarHBondContact OE1-NE2 3.3Å
36S95Very high96.6Very high24 Ų2433.9 Ų33.917%0.16820%0.201CC..  trans-65.2169.217374.50000110.9D34 G38 S39 M40D34-S36 PolarHBondContact O-N 3.48Å; S36-G38 PolarHBondContact O-N 2.99Å; S36-G38 PolarHBondContact OG-N 3.22Å; S36-S39 PolarHBondContact N-OG 2.93Å; S36-S39 WeakPolarHBondContact O-CB 3.13Å; S36-S39 PolarHBondContact O-N 3.49Å; S36-S39 PolarHBondContact OG-N 3.25Å; S36-S39 VanDerWaalsContact OG-N 3.14Å; S36-S39 PolarHBondContact OG-OG 2.62Å; S36-M40 PolarHBondContact O-N 2.92Å
37V96.3Very high96.4Very high57 Ų5729.4 Ų29.435%0.34517%0.17SC..Hα-helixtrans-52.2-42.8174.4178.70000111.8A41 N51 F80V37-A41 PolarHBondContact O-N 3.38Å; V37-A41 VanDerWaalsContact O-N 3.07Å; V37-N51 PolarHBondContact O-ND2 3.48Å; V37-F80 HydrophobicContact CG2-CE1 4.15Å
38G94.4Very high96.4Very high43 Ų4332.6 Ų32.644%0.44320%0.203SC..Hα-helixtrans-71.5-36177.200000113.4S36 A41S36-G38 PolarHBondContact O-N 2.99Å; S36-G38 PolarHBondContact OG-N 3.22Å; G38-A41 WeakPolarHBondContact O-CB 3.45Å; G38-A41 PolarHBondContact O-N 3.1Å
39S93.3Very high96.3Very high8 Ų831.2 Ų31.26%0.05620%0.199CC..Hα-helixtrans-66.1-43.2175.8-48.10000111.4S36 A41 K42 Y364S36-S39 PolarHBondContact N-OG 2.93Å; S36-S39 WeakPolarHBondContact O-CB 3.13Å; S36-S39 PolarHBondContact O-N 3.49Å; S36-S39 PolarHBondContact OG-N 3.25Å; S36-S39 VanDerWaalsContact OG-N 3.14Å; S36-S39 PolarHBondContact OG-OG 2.62Å; S39-A41 VanDerWaalsContact C-N 3.32Å; S39-K42 PolarHBondContact O-N 3.27Å; S39-Y364 WeakPolarHBondContact CB-OXT 3.29Å; S39-Y364 PolarHBondContact OG-OXT 2.87Å
40M95.7Very high96.2Very high2 Ų238.1 Ų38.11%0.0123%0.231CC..Hα-helixtrans-68.2-30.4175.6-82.6-47.6-62.700112.6E35 S36 K42 R43 L44 R56 Y59 R60E35-M40 HydrophobicContact CB-CG 3.57Å; E35-M40 HydrophobicContact CB-SD 3.56Å; E35-M40 VanDerWaalsContact CB-SD 3.56Å; E35-M40 HydrophobicContact CG-SD 3.87Å; S36-M40 PolarHBondContact O-N 2.92Å; M40-K42 VanDerWaalsContact C-N 3.25Å; M40-K42 PolarHBondContact O-N 2.74Å; M40-R43 HydrophobicContact CE-CB 3.89Å; M40-R43 HydrophobicContact CE-CG 4.45Å; M40-R43 WeakPolarHBondContact O-CB 3.22Å; M40-R43 PolarHBondContact O-N 2.83Å; M40-R43 HydrophobicContact SD-CB 4.18Å; M40-R43 HydrophobicContact SD-CG 4.11Å; M40-L44 HydrophobicContact CE-CD2 4.07Å; M40-L44 HydrophobicContact CE-CG 3.99Å; M40-L44 WeakPolarHBondContact O-CG 3.47Å; M40-L44 PolarHBondContact O-N 3.42Å; M40-R56 HydrophobicContact CB-CG 4.32Å; M40-Y59 HydrophobicContact CE-CD1 3.66Å; M40-Y59 HydrophobicContact CE-CE1 4.05Å; M40-R60 PolarHBondContact SD-NH1 3.3Å; M40-R60 PolarHBondContact SD-NH2 3.32Å
41A95.7Very high96.2Very high33 Ų3340.4 Ų40.427%0.27324%0.243SC..Hα-helixtrans-53.1-46.9174.100000111.3V37 G38 S39 R43 L44 S45 N51V37-A41 PolarHBondContact O-N 3.38Å; V37-A41 VanDerWaalsContact O-N 3.07Å; G38-A41 WeakPolarHBondContact O-CB 3.45Å; G38-A41 PolarHBondContact O-N 3.1Å; S39-A41 VanDerWaalsContact C-N 3.32Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.25Å; A41-L44 PolarHBondContact O-N 3.22Å; A41-S45 WeakPolarHBondContact O-CB 3.48Å; A41-S45 PolarHBondContact O-N 3.34Å; A41-S45 PolarHBondContact O-OG 2.97Å; A41-S45 VanDerWaalsContact O-OG 3.14Å; A41-N51 HydrophobicContact CB-CB 4.26Å; A41-N51 VanDerWaalsContact CB-ND2 3.32Å; A41-N51 WeakPolarHBondContact CB-ND2 3.33Å
42K94.2Very high96.2Very high99 Ų9942.3 Ų42.343%0.4326%0.255SS..Hα-helixtrans-64-34.5178.5-61.5174.3-174.8171.40112.3S39 M40 S45 Q46 Y364S39-K42 PolarHBondContact O-N 3.27Å; M40-K42 VanDerWaalsContact C-N 3.25Å; M40-K42 PolarHBondContact O-N 2.74Å; K42-S45 PolarHBondContact O-OG 3.23Å; K42-Q46 VanDerWaalsContact O-CG 3.3Å; K42-Q46 WeakPolarHBondContact O-CG 3.2Å; K42-Y364 PolarHBondContact NZ-O 3.34Å
43R93.9Very high96.1Very high31 Ų3147.9 Ų47.912%0.11728%0.28CS..Hα-helixtrans-71-51.9177.9-66.5-73.7174.9-140.7-18.5111.2M40 A41 S45 Q46 R304 L311M40-R43 HydrophobicContact CE-CB 3.89Å; M40-R43 HydrophobicContact CE-CG 4.45Å; M40-R43 WeakPolarHBondContact O-CB 3.22Å; M40-R43 PolarHBondContact O-N 2.83Å; M40-R43 HydrophobicContact SD-CB 4.18Å; M40-R43 HydrophobicContact SD-CG 4.11Å; A41-R43 VanDerWaalsContact C-N 3.31Å; A41-R43 PolarHBondContact O-N 3.25Å; R43-S45 VanDerWaalsContact C-N 3.33Å; R43-S45 PolarHBondContact O-N 3.41Å; R43-Q46 WeakPolarHBondContact O-CB 3.41Å; R43-Q46 PolarHBondContact O-N 3.16Å; R43-R304 VanDerWaalsContact NH1-CG 3.25Å; R43-L311 HydrophobicContact CB-CD2 3.89Å
44L97Very high96.1Very high0 Ų051.2 Ų51.20%030%0.296CS..Hα-helixtrans-66.2-36.8-177.3-64.9176.5000111.6M40 A41 Q46 I47 G48 V49 N51 N55 R56 L311 W314M40-L44 HydrophobicContact CE-CD2 4.07Å; M40-L44 HydrophobicContact CE-CG 3.99Å; M40-L44 WeakPolarHBondContact O-CG 3.47Å; M40-L44 PolarHBondContact O-N 3.42Å; A41-L44 PolarHBondContact O-N 3.22Å; L44-Q46 PolarHBondContact O-N 3.07Å; L44-I47 WeakPolarHBondContact O-CG1 3.46Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I47 VanDerWaalsContact O-N 3.12Å; L44-G48 PolarHBondContact O-N 3.35Å; L44-V49 CarbonylContact C-O 3.56Å; L44-V49 HydrophobicContact CB-CB 4.15Å; L44-V49 HydrophobicContact CB-CG1 4.44Å; L44-V49 WeakPolarHBondContact CB-O 3.31Å; L44-V49 HydrophobicContact CD2-CB 4.28Å; L44-V49 HydrophobicContact CD2-CG1 4.1Å; L44-V49 PolarHBondContact O-N 3.47Å; L44-N51 HydrophobicContact CD1-CB 4.19Å; L44-N55 HydrophobicContact CD1-CB 4.49Å; L44-R56 HydrophobicContact CD1-CG 4.16Å; L44-L311 HydrophobicContact CD2-CD1 4.32Å; L44-W314 HydrophobicContact CD2-CH2 4.41Å; L44-W314 HydrophobicContact CD2-CZ3 3.71Å
45S95.6Very high96.1Very high80 Ų8052.4 Ų52.456%0.55930%0.302SS*.Hα-helixtrans-62.3-30.8176.665.30000113.2A41 K42 R43 I47 G48A41-S45 WeakPolarHBondContact O-CB 3.48Å; A41-S45 PolarHBondContact O-N 3.34Å; A41-S45 PolarHBondContact O-OG 2.97Å; A41-S45 VanDerWaalsContact O-OG 3.14Å; K42-S45 PolarHBondContact O-OG 3.23Å; R43-S45 VanDerWaalsContact C-N 3.33Å; R43-S45 PolarHBondContact O-N 3.41Å; S45-I47 PolarHBondContact O-N 3.15Å; S45-G48 PolarHBondContact O-N 2.83Å
46Q92.7Very high96.2Very high120 Ų12052.2 Ų52.256%0.56130%0.301SS*.Hα-helixtrans-64.2-26.5177.8-74.4170.6-20.100112.8K42 R43 L44K42-Q46 VanDerWaalsContact O-CG 3.3Å; K42-Q46 WeakPolarHBondContact O-CG 3.2Å; R43-Q46 WeakPolarHBondContact O-CB 3.41Å; R43-Q46 PolarHBondContact O-N 3.16Å; L44-Q46 PolarHBondContact O-N 3.07Å
47I95.5Very high96.4Very high27 Ų2752.5 Ų52.514%0.13830%0.298CS..THydrogen-bonded Turntrans-107.812.8178.359.3160.4000112.5L44 S45 V49 L311 W314L44-I47 WeakPolarHBondContact O-CG1 3.46Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I47 VanDerWaalsContact O-N 3.12Å; S45-I47 PolarHBondContact O-N 3.15Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 HydrophobicContact CD1-CB 4.19Å; I47-V49 HydrophobicContact CD1-CG2 3.55Å; I47-V49 HydrophobicContact CG1-CB 4.14Å; I47-V49 HydrophobicContact CG1-CG2 3.72Å; I47-V49 PolarHBondContact O-N 3.36Å; I47-L311 HydrophobicContact CD1-CD1 3.6Å; I47-L311 HydrophobicContact CD1-CG 3.84Å; I47-L311 HydrophobicContact CG1-CD1 4.4Å; I47-L311 HydrophobicContact CG1-CG 4.33Å; I47-L311 HydrophobicContact CG2-CG 4.14Å; I47-W314 HydrophobicContact CD1-CE3 3.87Å; I47-W314 HydrophobicContact CD1-CZ3 4.14Å
48G96.2Very high96.5Very high73 Ų7350.5 Ų50.575%0.75329%0.285SS*.THydrogen-bonded Turntrans69.724.4178.300000114.8L44 S45L44-G48 PolarHBondContact O-N 3.35Å; S45-G48 PolarHBondContact O-N 2.83Å
49V97Very high96.7Very high18 Ų1848.5 Ų48.511%0.10926%0.264CS..  trans-102135.6-178.81780000110.6L44 I47 N55 W314 G316L44-V49 CarbonylContact C-O 3.56Å; L44-V49 HydrophobicContact CB-CB 4.15Å; L44-V49 HydrophobicContact CB-CG1 4.44Å; L44-V49 WeakPolarHBondContact CB-O 3.31Å; L44-V49 HydrophobicContact CD2-CB 4.28Å; L44-V49 HydrophobicContact CD2-CG1 4.1Å; L44-V49 PolarHBondContact O-N 3.47Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 HydrophobicContact CD1-CB 4.19Å; I47-V49 HydrophobicContact CD1-CG2 3.55Å; I47-V49 HydrophobicContact CG1-CB 4.14Å; I47-V49 HydrophobicContact CG1-CG2 3.72Å; I47-V49 PolarHBondContact O-N 3.36Å; V49-N55 HydrophobicContact CG1-CB 4.07Å; V49-W314 HydrophobicContact CG1-CH2 4.34Å; V49-W314 HydrophobicContact CG1-CZ3 4.41Å; V49-G316 VanDerWaalsContact CG2-CA 3.44Å
50E97.6Very high96.9Very high145 Ų14548.3 Ų48.368%0.67826%0.262SS*.  trans-68138.8176.1-170-176-17900111.6T52 N55E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 HydrophobicContact CB-CG2 4.33Å; E50-T52 HydrophobicContact CG-CG2 3.83Å; E50-T52 PolarHBondContact O-N 3.23Å; E50-N55 WeakPolarHBondContact O-CB 3.41Å; E50-N55 PolarHBondContact O-ND2 2.97Å
51N98.2Very high97Very high48 Ų4849.5 Ų49.526%0.25727%0.268SS..  trans-83.568.1179.4-174.128.8000113.1V37 A41 L44 R56V37-N51 PolarHBondContact O-ND2 3.48Å; A41-N51 HydrophobicContact CB-CB 4.26Å; A41-N51 VanDerWaalsContact CB-ND2 3.32Å; A41-N51 WeakPolarHBondContact CB-ND2 3.33Å; L44-N51 HydrophobicContact CD1-CB 4.19Å; N51-R56 PolarHBondContact O-NH1 3.43Å; N51-R56 VanDerWaalsContact O-NH1 3.17Å; N51-R56 WeakPolarHBondContact OD1-CD 3.26Å; N51-R56 WeakPolarHBondContact OD1-CG 3.43Å; N51-R56 PolarHBondContact OD1-NH1 3.5Å
52T98.3Very high97.2Very high42 Ų4248.3 Ų48.326%0.25826%0.257SS..  trans-92.3158.9171.567.80000111.1E50 E54 N55 R56E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 HydrophobicContact CB-CG2 4.33Å; E50-T52 HydrophobicContact CG-CG2 3.83Å; E50-T52 PolarHBondContact O-N 3.23Å; T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.03Å; T52-N55 PolarHBondContact O-N 3.15Å; T52-N55 WeakPolarHBondContact OG1-CB 3.42Å; T52-N55 PolarHBondContact OG1-N 3.42Å; T52-N55 VanDerWaalsContact OG1-N 3.1Å; T52-N55 PolarHBondContact OG1-ND2 3.15Å; T52-R56 WeakPolarHBondContact O-CG 3.46Å; T52-R56 PolarHBondContact O-N 3.49Å; T52-R56 PolarHBondContact O-NH1 2.85Å
53E98.3Very high97.4Very high120 Ų12043.7 Ų43.756%0.56124%0.237SC*.Hα-helixtrans-56.8-41.8173.3-175.1-179.2168.200111.6N55 R56 R57E53-N55 PolarHBondContact O-N 3.14Å; E53-R56 PolarHBondContact O-N 3.19Å; E53-R57 WeakPolarHBondContact O-CB 3.39Å; E53-R57 PolarHBondContact O-N 3.32Å
54E98.3Very high97.6Very high71 Ų7142.4 Ų42.433%0.33223%0.232SC..Hα-helixtrans-63.2-42.6177.7175.158.9-171.900112.2T52 R56 R57 L58 R318T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.03Å; E54-R56 VanDerWaalsContact C-N 3.33Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-R57 WeakPolarHBondContact O-CB 3.44Å; E54-R57 PolarHBondContact O-N 3.34Å; E54-R57 IonicContact OE1-CZ 2.98Å; E54-R57 IonicContact OE1-NE 3.91Å; E54-R57 IonicContact OE1-NH2 3.09Å; E54-R57 PolarHBondContact OE1-NH2 2.94Å; E54-R57 IonicContact OE2-CZ 3.94Å; E54-R57 IonicContact OE2-NE 3.34Å; E54-R57 PolarHBondContact OE2-NE 3.19Å; E54-R57 IonicContact OE2-NH2 3.54Å; E54-R57 PolarHBondContact OE2-NH2 3.02Å; E54-L58 HydrophobicContact CG-CD1 4Å; E54-L58 HydrophobicContact CG-CG 4.35Å; E54-L58 WeakPolarHBondContact O-CB 3.46Å; E54-L58 VanDerWaalsContact O-CG 3.32Å; E54-L58 WeakPolarHBondContact O-CG 3.47Å; E54-L58 PolarHBondContact O-N 3.09Å; E54-L58 WeakPolarHBondContact OE1-CD1 3Å; E54-L58 WeakPolarHBondContact OE1-CG 3.5Å; E54-R318 IonicContact OE1-NH2 2.63Å; E54-R318 PolarHBondContact OE1-NH2 3.34Å
55N98.3Very high97.6Very high33 Ų3345.6 Ų45.618%0.17625%0.254CS..Hα-helixtrans-67.3-35.5177.5-75.2-20.4000112L44 V49 E50 T52 E53 Y59 W314L44-N55 HydrophobicContact CD1-CB 4.49Å; V49-N55 HydrophobicContact CG1-CB 4.07Å; E50-N55 WeakPolarHBondContact O-CB 3.41Å; E50-N55 PolarHBondContact O-ND2 2.97Å; T52-N55 PolarHBondContact O-N 3.15Å; T52-N55 WeakPolarHBondContact OG1-CB 3.42Å; T52-N55 PolarHBondContact OG1-N 3.42Å; T52-N55 VanDerWaalsContact OG1-N 3.1Å; T52-N55 PolarHBondContact OG1-ND2 3.15Å; E53-N55 PolarHBondContact O-N 3.14Å; N55-Y59 WeakPolarHBondContact O-CB 3.47Å; N55-Y59 PolarHBondContact O-N 3.1Å; N55-W314 HydrophobicContact CB-CH2 4.49Å; N55-W314 WeakPolarHBondContact O-CH2 3.29Å
56R98.6Very high97.7Very high23 Ų2341.8 Ų41.89%0.08723%0.228CC..Hα-helixtrans-63.5-45.9171.6-68.4-169.3-61.5-83.32.9110.9M40 L44 N51 T52 E53 E54 Y59 R60 E82M40-R56 HydrophobicContact CB-CG 4.32Å; L44-R56 HydrophobicContact CD1-CG 4.16Å; N51-R56 PolarHBondContact O-NH1 3.43Å; N51-R56 VanDerWaalsContact O-NH1 3.17Å; N51-R56 WeakPolarHBondContact OD1-CD 3.26Å; N51-R56 WeakPolarHBondContact OD1-CG 3.43Å; N51-R56 PolarHBondContact OD1-NH1 3.5Å; T52-R56 WeakPolarHBondContact O-CG 3.46Å; T52-R56 PolarHBondContact O-N 3.49Å; T52-R56 PolarHBondContact O-NH1 2.85Å; E53-R56 PolarHBondContact O-N 3.19Å; E54-R56 VanDerWaalsContact C-N 3.33Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-Y59 PolarHBondContact O-N 3.47Å; R56-R60 VanDerWaalsContact O-CG 3.29Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 2.95Å; R56-E82 IonicContact CZ-OE1 2.72Å; R56-E82 IonicContact CZ-OE2 3.76Å; R56-E82 IonicContact NE-OE1 2.69Å; R56-E82 PolarHBondContact NE-OE1 3.23Å; R56-E82 IonicContact NE-OE2 2.64Å; R56-E82 PolarHBondContact NE-OE2 3.02Å; R56-E82 IonicContact NH2-OE1 2.62Å; R56-E82 PolarHBondContact NH2-OE1 2.84Å; R56-E82 IonicContact NH2-OE2 2.67Å; R56-E82 PolarHBondContact NH2-OE2 2.94Å
57R98.5Very high97.9Very high30 Ų3039.3 Ų39.311%0.11322%0.219CC..Hα-helixtrans-58.8-50.3176.3-169.6-164.971.474.14111.8E53 E54 Y59 R60 Q61 Q86 K87 D89 F94E53-R57 WeakPolarHBondContact O-CB 3.39Å; E53-R57 PolarHBondContact O-N 3.32Å; E54-R57 WeakPolarHBondContact O-CB 3.44Å; E54-R57 PolarHBondContact O-N 3.34Å; E54-R57 IonicContact OE1-CZ 2.98Å; E54-R57 IonicContact OE1-NE 3.91Å; E54-R57 IonicContact OE1-NH2 3.09Å; E54-R57 PolarHBondContact OE1-NH2 2.94Å; E54-R57 IonicContact OE2-CZ 3.94Å; E54-R57 IonicContact OE2-NE 3.34Å; E54-R57 PolarHBondContact OE2-NE 3.19Å; E54-R57 IonicContact OE2-NH2 3.54Å; E54-R57 PolarHBondContact OE2-NH2 3.02Å; R57-Y59 PolarHBondContact O-N 3.27Å; R57-R60 PolarHBondContact O-N 3.19Å; R57-Q61 PolarHBondContact O-N 3.27Å; R57-Q86 HydrophobicContact CG-CB 4.18Å; R57-Q86 HydrophobicContact CG-CG 4.16Å; R57-K87 VanDerWaalsContact CD-O 3.31Å; R57-K87 WeakPolarHBondContact CD-O 3.47Å; R57-K87 PolarHBondContact NH1-O 2.64Å; R57-D89 IonicContact CZ-OD1 2.95Å; R57-D89 IonicContact NH1-OD1 3.56Å; R57-D89 PolarHBondContact NH1-OD1 2.82Å; R57-D89 IonicContact NH2-OD1 2.67Å; R57-D89 PolarHBondContact NH2-OD1 3.39Å; R57-F94 HydrophobicContact CG-CE2 4Å; R57-F94 HydrophobicContact CG-CZ 3.92Å
58L98.4Very high97.9Very high15 Ų1542.9 Ų42.98%0.07924%0.238CC..Hα-helixtrans-58.6-46.5179-75.7170.8000111.4E54 R60 Q61 V62 W314E54-L58 HydrophobicContact CG-CD1 4Å; E54-L58 HydrophobicContact CG-CG 4.35Å; E54-L58 WeakPolarHBondContact O-CB 3.46Å; E54-L58 VanDerWaalsContact O-CG 3.32Å; E54-L58 WeakPolarHBondContact O-CG 3.47Å; E54-L58 PolarHBondContact O-N 3.09Å; E54-L58 WeakPolarHBondContact OE1-CD1 3Å; E54-L58 WeakPolarHBondContact OE1-CG 3.5Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.2Å; L58-Q61 WeakPolarHBondContact O-CB 3.18Å; L58-Q61 PolarHBondContact O-N 3.44Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.45Å; L58-W314 HydrophobicContact CB-CZ2 3.95Å
59Y98.7Very high98Very high1 Ų143.2 Ų43.20%0.00422%0.217CC..Hα-helixtrans-64.7-39178.7-176.2-121.6000112.5M40 N55 R56 R57 Q61 V62 L63 Q307 L311 W314M40-Y59 HydrophobicContact CE-CD1 3.66Å; M40-Y59 HydrophobicContact CE-CE1 4.05Å; N55-Y59 WeakPolarHBondContact O-CB 3.47Å; N55-Y59 PolarHBondContact O-N 3.1Å; R56-Y59 PolarHBondContact O-N 3.47Å; R57-Y59 PolarHBondContact O-N 3.27Å; Y59-Q61 VanDerWaalsContact C-N 3.34Å; Y59-V62 WeakPolarHBondContact O-CB 3.24Å; Y59-V62 PolarHBondContact O-N 3.14Å; Y59-L63 HydrophobicContact CE1-CD1 4.21Å; Y59-L63 PolarHBondContact O-N 2.82Å; Y59-Q307 WeakPolarHBondContact OH-CB 3.49Å; Y59-Q307 PolarHBondContact OH-O 3.21Å; Y59-Q307 PolarHBondContact OH-OE1 2.9Å; Y59-L311 HydrophobicContact CD1-CD1 4.18Å; Y59-L311 HydrophobicContact CD2-CD1 3.88Å; Y59-L311 HydrophobicContact CE1-CD1 3.85Å; Y59-L311 HydrophobicContact CE2-CB 4.11Å; Y59-L311 HydrophobicContact CE2-CD1 3.54Å; Y59-L311 HydrophobicContact CE2-CG 4.44Å; Y59-L311 HydrophobicContact CG-CD1 4.2Å; Y59-W314 AromaticContact CD2-CD2 3.97Å; Y59-W314 HydrophobicContact CD2-CD2 3.97Å; Y59-W314 AromaticContact CD2-CE3 3.48Å; Y59-W314 HydrophobicContact CD2-CE3 3.48Å; Y59-W314 VanDerWaalsContact CD2-CE3 3.48Å; Y59-W314 AromaticContact CD2-CZ3 3.89Å; Y59-W314 HydrophobicContact CD2-CZ3 3.89Å; Y59-W314 HydrophobicContact CE2-CE3 4.3Å; Y59-W314 HydrophobicContact CG-CE3 4.05Å; Y59-W314 AromaticContact CG-CZ3 3.95Å; Y59-W314 HydrophobicContact CG-CZ3 3.95Å
60R98.6Very high98Very high4 Ų442.6 Ų42.62%0.01521%0.213CC..Hα-helixtrans-63.4-41.2172.8-68.7-61.7-175.8-97.40.8111.8A33 E35 M40 R56 R57 L58 V62 L63 F64 T83 F94A33-R60 PolarHBondContact O-NE 2.98Å; A33-R60 PolarHBondContact O-NH2 3.48Å; E35-R60 IonicContact OE2-CZ 3.27Å; E35-R60 IonicContact OE2-NH1 3.27Å; E35-R60 IonicContact OE2-NH2 2.74Å; E35-R60 PolarHBondContact OE2-NH2 2.96Å; M40-R60 PolarHBondContact SD-NH1 3.3Å; M40-R60 PolarHBondContact SD-NH2 3.32Å; R56-R60 VanDerWaalsContact O-CG 3.29Å; R56-R60 WeakPolarHBondContact O-CG 3.44Å; R56-R60 PolarHBondContact O-N 2.95Å; R57-R60 PolarHBondContact O-N 3.19Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.2Å; R60-V62 VanDerWaalsContact C-N 3.3Å; R60-V62 PolarHBondContact O-N 3.44Å; R60-L63 PolarHBondContact O-N 3.13Å; R60-F64 HydrophobicContact CB-CD2 4.26Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 4.07Å; R60-F64 HydrophobicContact CG-CE2 4.44Å; R60-F64 HydrophobicContact CG-CZ 4.46Å; R60-F64 VanDerWaalsContact O-CD2 3.23Å; R60-F64 WeakPolarHBondContact O-CD2 3.32Å; R60-F64 WeakPolarHBondContact O-CG 3.44Å; R60-F64 PolarHBondContact O-N 3.38Å; R60-T83 HydrophobicContact CB-CG2 4.09Å; R60-T83 HydrophobicContact CG-CG2 3.83Å; R60-F94 HydrophobicContact CB-CE2 4.01Å; R60-F94 HydrophobicContact CB-CZ 4.36Å
61Q98.5Very high98Very high27 Ų2738.8 Ų38.813%0.12619%0.194CC..Hα-helixtrans-59.7-40.3174.1-171.9177.3-43.200111.7R57 L58 Y59 L63 F64 S65 D88 D89 F94R57-Q61 PolarHBondContact O-N 3.27Å; L58-Q61 WeakPolarHBondContact O-CB 3.18Å; L58-Q61 PolarHBondContact O-N 3.44Å; Y59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.1Å; Q61-F64 PolarHBondContact O-N 3.47Å; Q61-S65 WeakPolarHBondContact O-CB 3.41Å; Q61-S65 PolarHBondContact O-N 3.45Å; Q61-S65 PolarHBondContact O-OG 3.43Å; Q61-D88 HydrophobicContact CG-CB 4.13Å; Q61-D88 VanDerWaalsContact OE1-CA 3.25Å; Q61-D89 VanDerWaalsContact NE2-CG 3.29Å; Q61-D89 PolarHBondContact NE2-OD2 2.98Å; Q61-D89 PolarHBondContact OE1-OD1 3.18Å; Q61-F94 HydrophobicContact CB-CE1 3.85Å; Q61-F94 HydrophobicContact CB-CZ 3.86Å; Q61-F94 HydrophobicContact CG-CE1 4.17Å
62V98.4Very high98Very high8 Ų842.3 Ų42.35%0.04821%0.207CC..Hα-helixtrans-53.5-50.4174.4169.40000110.4L58 Y59 R60 F64 W314 A321 A324 T325L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 3.45Å; Y59-V62 WeakPolarHBondContact O-CB 3.24Å; Y59-V62 PolarHBondContact O-N 3.14Å; R60-V62 VanDerWaalsContact C-N 3.3Å; R60-V62 PolarHBondContact O-N 3.44Å; V62-F64 PolarHBondContact O-N 3.38Å; V62-W314 HydrophobicContact CG2-CG 4.38Å; V62-A321 HydrophobicContact CG2-CB 3.94Å; V62-A324 HydrophobicContact CG1-CB 3.58Å; V62-T325 PolarHBondContact O-OG1 2.87Å
63L98.6Very high98Very high2 Ų240.5 Ų40.51%0.0120%0.196CC..Hα-helixtrans-64.2-40.5179.1-57.7177.2000112.3L31 A33 Y59 R60 Q61 A66 Q307 A310 F328L31-L63 HydrophobicContact CD2-CB 4.21Å; L31-L63 HydrophobicContact CD2-CD1 4.27Å; A33-L63 HydrophobicContact CB-CD1 4.47Å; Y59-L63 HydrophobicContact CE1-CD1 4.21Å; Y59-L63 PolarHBondContact O-N 2.82Å; R60-L63 PolarHBondContact O-N 3.13Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.1Å; L63-A66 WeakPolarHBondContact O-CB 3.29Å; L63-A66 PolarHBondContact O-N 2.9Å; L63-Q307 HydrophobicContact CD1-CG 3.98Å; L63-Q307 HydrophobicContact CD2-CG 4.29Å; L63-A310 HydrophobicContact CD2-CB 4.29Å; L63-F328 HydrophobicContact CD2-CB 4Å; L63-F328 HydrophobicContact CD2-CD1 4.46Å; L63-F328 HydrophobicContact CD2-CD2 4.24Å; L63-F328 HydrophobicContact CD2-CG 3.97Å; L63-F328 WeakPolarHBondContact O-CE1 3.44Å
64F98.3Very high98Very high4 Ų434.9 Ų34.92%0.01817%0.17CC..Hα-helixtrans-84.2-13.8-173.2-52.1-22.3000113.8L31 A33 R60 Q61 V62 A66 V77 F79 T83 F94 T97 I98 K101L31-F64 HydrophobicContact CD2-CE1 4.1Å; A33-F64 HydrophobicContact CB-CE1 4.35Å; A33-F64 HydrophobicContact CB-CZ 4.35Å; R60-F64 HydrophobicContact CB-CD2 4.26Å; R60-F64 HydrophobicContact CB-CE2 3.7Å; R60-F64 HydrophobicContact CB-CZ 4.07Å; R60-F64 HydrophobicContact CG-CE2 4.44Å; R60-F64 HydrophobicContact CG-CZ 4.46Å; R60-F64 VanDerWaalsContact O-CD2 3.23Å; R60-F64 WeakPolarHBondContact O-CD2 3.32Å; R60-F64 WeakPolarHBondContact O-CG 3.44Å; R60-F64 PolarHBondContact O-N 3.38Å; Q61-F64 PolarHBondContact O-N 3.47Å; V62-F64 PolarHBondContact O-N 3.38Å; F64-A66 PolarHBondContact O-N 2.82Å; F64-V77 HydrophobicContact CE1-CG1 3.88Å; F64-V77 HydrophobicContact CZ-CG1 4.39Å; F64-F79 HydrophobicContact CD2-CE1 4.48Å; F64-F79 HydrophobicContact CD2-CZ 4.26Å; F64-F79 AromaticContact CE1-CE1 3.76Å; F64-F79 HydrophobicContact CE1-CE1 3.76Å; F64-F79 HydrophobicContact CE1-CZ 4.42Å; F64-F79 HydrophobicContact CE2-CD1 4.45Å; F64-F79 AromaticContact CE2-CE1 3.6Å; F64-F79 HydrophobicContact CE2-CE1 3.6Å; F64-F79 AromaticContact CE2-CZ 3.61Å; F64-F79 HydrophobicContact CE2-CZ 3.61Å; F64-F79 AromaticContact CZ-CD1 3.88Å; F64-F79 HydrophobicContact CZ-CD1 3.88Å; F64-F79 AromaticContact CZ-CE1 3.17Å; F64-F79 HydrophobicContact CZ-CE1 3.17Å; F64-F79 AromaticContact CZ-CZ 3.73Å; F64-F79 HydrophobicContact CZ-CZ 3.73Å; F64-T83 HydrophobicContact CE2-CG2 3.69Å; F64-T83 HydrophobicContact CZ-CG2 4.05Å; F64-F94 HydrophobicContact CD2-CB 3.93Å; F64-F94 AromaticContact CD2-CD1 3.69Å; F64-F94 HydrophobicContact CD2-CD1 3.69Å; F64-F94 HydrophobicContact CD2-CD2 4.07Å; F64-F94 HydrophobicContact CD2-CE1 4.15Å; F64-F94 HydrophobicContact CD2-CE2 4.48Å; F64-F94 AromaticContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CE2-CB 4.07Å; F64-F94 HydrophobicContact CE2-CD1 4.38Å; F64-F94 AromaticContact CE2-CD2 3.94Å; F64-F94 HydrophobicContact CE2-CD2 3.94Å; F64-F94 HydrophobicContact CE2-CE2 4.43Å; F64-F94 AromaticContact CE2-CG 3.91Å; F64-F94 HydrophobicContact CE2-CG 3.91Å; F64-T97 HydrophobicContact CB-CG2 4.34Å; F64-I98 HydrophobicContact CB-CD1 4.06Å; F64-I98 HydrophobicContact CD1-CD1 3.82Å; F64-I98 HydrophobicContact CG-CD1 3.92Å; F64-K101 PolarHBondContact O-NZ 2.75Å
65S96.5Very high98Very high66 Ų6631.5 Ų31.546%0.46215%0.154SC..THydrogen-bonded Turntrans-77.7-4.5172.3-59.70000112.9Q61 D67Q61-S65 WeakPolarHBondContact O-CB 3.41Å; Q61-S65 PolarHBondContact O-N 3.45Å; Q61-S65 PolarHBondContact O-OG 3.43Å; S65-D67 PolarHBondContact O-N 2.88Å
66A97.6Very high98Very high1 Ų130 Ų301%0.00815%0.146CC..  trans-51.3137.4173.200000111.8L63 F64 V70 K101 T325 F328 I329L63-A66 WeakPolarHBondContact O-CB 3.29Å; L63-A66 PolarHBondContact O-N 2.9Å; F64-A66 PolarHBondContact O-N 2.82Å; A66-V70 HydrophobicContact CB-CG1 3.71Å; A66-V70 HydrophobicContact CB-CG2 4.1Å; A66-K101 WeakPolarHBondContact O-CE 2.94Å; A66-T325 HydrophobicContact CB-CG2 3.91Å; A66-F328 HydrophobicContact CB-CD1 3.77Å; A66-F328 HydrophobicContact CB-CE1 3.65Å; A66-I329 HydrophobicContact CB-CD1 4.07Å; A66-I329 HydrophobicContact CB-CG1 3.8Å
67D96.8Very high98Very high68 Ų6829 Ų2936%0.36414%0.143SC..  trans-74.8-177.4-176.866.948.2000112.8S65 R69 V70S65-D67 PolarHBondContact O-N 2.88Å; D67-R69 PolarHBondContact O-N 3.04Å; D67-R69 WeakPolarHBondContact OD1-CB 3.41Å; D67-R69 WeakPolarHBondContact OD1-CG 3.36Å; D67-R69 IonicContact OD1-CZ 3.6Å; D67-R69 PolarHBondContact OD1-N 3.46Å; D67-R69 IonicContact OD1-NE 3.46Å; D67-R69 PolarHBondContact OD1-NE 3.5Å; D67-R69 IonicContact OD1-NH2 3.5Å; D67-R69 IonicContact OD2-CZ 3.52Å; D67-R69 IonicContact OD2-NE 2.77Å; D67-R69 PolarHBondContact OD2-NE 3.46Å; D67-R69 VanDerWaalsContact OD2-NE 3.09Å; D67-R69 IonicContact OD2-NH2 2.75Å; D67-R69 PolarHBondContact OD2-NH2 3.1Å; D67-V70 WeakPolarHBondContact O-CG2 3.27Å; D67-V70 PolarHBondContact O-N 2.7Å; D67-V70 VanDerWaalsContact O-N 3.15Å
68D97Very high98.1Very high102 Ų10227.6 Ų27.655%0.54514%0.137SC..G310 helixtrans-58.7-15-174.9-79.711.1000114.8V70 K71D68-V70 PolarHBondContact O-N 3.48Å; D68-K71 HydrophobicContact CB-CD 4.09Å; D68-K71 VanDerWaalsContact O-CB 3.32Å; D68-K71 WeakPolarHBondContact O-CB 3.44Å; D68-K71 WeakPolarHBondContact O-CG 3.37Å; D68-K71 PolarHBondContact O-N 2.76Å; D68-K71 WeakPolarHBondContact OD1-CE 3.32Å; D68-K71 IonicContact OD1-NZ 3.43Å; D68-K71 PolarHBondContact OD1-NZ 3.37Å; D68-K71 WeakPolarHBondContact OD2-CE 3.41Å; D68-K71 IonicContact OD2-NZ 3.97Å; D68-K71 PolarHBondContact OD2-NZ 2.75Å
69R97.4Very high98.1Very high80 Ų8026.9 Ų26.930%0.30213%0.134SC..G310 helixtrans-56.5-31.1173.6-71.4178.9-73.3166.8-4.8112.4D67 K71 K72 E326 I329D67-R69 PolarHBondContact O-N 3.04Å; D67-R69 WeakPolarHBondContact OD1-CB 3.41Å; D67-R69 WeakPolarHBondContact OD1-CG 3.36Å; D67-R69 IonicContact OD1-CZ 3.6Å; D67-R69 PolarHBondContact OD1-N 3.46Å; D67-R69 IonicContact OD1-NE 3.46Å; D67-R69 PolarHBondContact OD1-NE 3.5Å; D67-R69 IonicContact OD1-NH2 3.5Å; D67-R69 IonicContact OD2-CZ 3.52Å; D67-R69 IonicContact OD2-NE 2.77Å; D67-R69 PolarHBondContact OD2-NE 3.46Å; D67-R69 VanDerWaalsContact OD2-NE 3.09Å; D67-R69 IonicContact OD2-NH2 2.75Å; D67-R69 PolarHBondContact OD2-NH2 3.1Å; R69-K71 VanDerWaalsContact C-N 3.28Å; R69-K71 PolarHBondContact O-N 3.28Å; R69-K72 WeakPolarHBondContact O-CE 3.33Å; R69-K72 WeakPolarHBondContact O-CG 3.4Å; R69-E326 IonicContact CZ-OE1 3.99Å; R69-E326 IonicContact CZ-OE2 3.09Å; R69-E326 IonicContact NH1-OE1 2.84Å; R69-E326 PolarHBondContact NH1-OE1 3.35Å; R69-E326 IonicContact NH1-OE2 2.73Å; R69-E326 PolarHBondContact NH1-OE2 3.11Å; R69-E326 IonicContact NH2-OE1 2.7Å; R69-E326 IonicContact NH2-OE2 2.88Å; R69-E326 PolarHBondContact NH2-OE2 3.28Å; R69-I329 HydrophobicContact CB-CG2 3.88Å
70V97.6Very high98.1Very high5 Ų529.2 Ų29.23%0.0314%0.144CC..G310 helixtrans-73.7-16.8179.6-58.70000113.7A66 D67 D68 K72 C73 I74 K101 I103 F328 I329 A332A66-V70 HydrophobicContact CB-CG1 3.71Å; A66-V70 HydrophobicContact CB-CG2 4.1Å; D67-V70 WeakPolarHBondContact O-CG2 3.27Å; D67-V70 PolarHBondContact O-N 2.7Å; D67-V70 VanDerWaalsContact O-N 3.15Å; D68-V70 PolarHBondContact O-N 3.48Å; V70-K72 PolarHBondContact O-N 3.39Å; V70-C73 PolarHBondContact O-N 2.83Å; V70-I74 HydrophobicContact CB-CG1 4.07Å; V70-I74 PolarHBondContact O-N 2.95Å; V70-K101 HydrophobicContact CG2-CD 4.37Å; V70-I103 HydrophobicContact CG2-CD1 4.24Å; V70-F328 HydrophobicContact CG1-CE1 3.9Å; V70-F328 HydrophobicContact CG1-CZ 4.4Å; V70-I329 HydrophobicContact CG1-CB 4.48Å; V70-I329 HydrophobicContact CG1-CG1 3.86Å; V70-A332 HydrophobicContact CG1-CB 4.28Å
71K97.8Very high98.1Very high64 Ų6433.2 Ų33.228%0.27816%0.163SC..G310 helixtrans-60.8-31.1-176.5-64.9-177.5177.5174.10113.3K28 D68 R69 K101K28-K71 WeakPolarHBondContact CE-O 3.48Å; K28-K71 PolarHBondContact NZ-O 2.87Å; D68-K71 HydrophobicContact CB-CD 4.09Å; D68-K71 VanDerWaalsContact O-CB 3.32Å; D68-K71 WeakPolarHBondContact O-CB 3.44Å; D68-K71 WeakPolarHBondContact O-CG 3.37Å; D68-K71 PolarHBondContact O-N 2.76Å; D68-K71 WeakPolarHBondContact OD1-CE 3.32Å; D68-K71 IonicContact OD1-NZ 3.43Å; D68-K71 PolarHBondContact OD1-NZ 3.37Å; D68-K71 WeakPolarHBondContact OD2-CE 3.41Å; D68-K71 IonicContact OD2-NZ 3.97Å; D68-K71 PolarHBondContact OD2-NZ 2.75Å; R69-K71 VanDerWaalsContact C-N 3.28Å; R69-K71 PolarHBondContact O-N 3.28Å; K71-K101 HydrophobicContact CG-CB 4.19Å; K71-K101 WeakPolarHBondContact CG-O 3.42Å
72K96.9Very high98.1Very high123 Ų12333.7 Ų33.754%0.53517%0.165SC..G310 helixtrans-82.6-13.317774.8-167.9171.6179.50113.1G27 R69 V70 E333G27-K72 CarbonylContact C-O 3.51Å; R69-K72 WeakPolarHBondContact O-CE 3.33Å; R69-K72 WeakPolarHBondContact O-CG 3.4Å; V70-K72 PolarHBondContact O-N 3.39Å; K72-E333 VanDerWaalsContact CE-OE1 3.29Å; K72-E333 WeakPolarHBondContact CE-OE1 2.99Å; K72-E333 IonicContact NZ-OE1 3.02Å; K72-E333 PolarHBondContact NZ-OE1 2.98Å
73C98.1Very high98.1Very high3 Ų333.5 Ų33.52%0.0216%0.164CC..THydrogen-bonded Turntrans-112.4-29.5-171.2-52.70000113.1G27 K28 G29 V70 F300 A332G27-C73 WeakPolarHBondContact O-CA 3.45Å; K28-C73 CarbonylContact C-O 3.17Å; K28-C73 VanDerWaalsContact CA-O 3.27Å; K28-C73 WeakPolarHBondContact CA-O 3.4Å; G29-C73 PolarHBondContact N-O 3.05Å; V70-C73 PolarHBondContact O-N 2.83Å; C73-F300 VanDerWaalsContact O-CZ 3.25Å; C73-F300 WeakPolarHBondContact O-CZ 3.45Å; C73-A332 HydrophobicContact CB-CB 4.03Å; C73-A332 WeakPolarHBondContact CB-O 3.3Å
74I98.7Very high98.1Very high2 Ų233.6 Ų33.61%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-115.8119-174.7-53.8-61.1000108.6V70 G76 V77 I103 F300 L306 F328 A332V70-I74 HydrophobicContact CB-CG1 4.07Å; V70-I74 PolarHBondContact O-N 2.95Å; I74-G76 VanDerWaalsContact CG2-O 3.25Å; I74-G76 WeakPolarHBondContact CG2-O 3.42Å; I74-V77 HydrophobicContact CG2-CG2 3.98Å; I74-I103 HydrophobicContact CB-CD1 4.1Å; I74-I103 HydrophobicContact CG2-CD1 4.16Å; I74-I103 HydrophobicContact CG2-CG2 3.81Å; I74-F300 HydrophobicContact CD1-CE2 3.88Å; I74-F300 HydrophobicContact CD1-CZ 4.24Å; I74-L306 HydrophobicContact CD1-CD1 4.46Å; I74-F328 HydrophobicContact CD1-CZ 4.49Å; I74-F328 HydrophobicContact CG1-CZ 4.37Å; I74-A332 HydrophobicContact CD1-CB 4.05Å; I74-A332 HydrophobicContact CG1-CB 4.32Å
75G98.7Very high98.1Very high1 Ų138.4 Ų38.41%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-99.7-24.1174.800000112.6I23 G29 V104I23-G75 WeakPolarHBondContact O-CA 3.16Å; G29-G75 PolarHBondContact O-N 3.42Å; G75-V104 WeakPolarHBondContact O-CB 3.47Å; G75-V104 WeakPolarHBondContact O-CG2 3.4Å; G75-V104 PolarHBondContact O-N 3.25Å
76G98.9Very high98.2Very high0 Ų035.8 Ų35.80%016%0.163CC..EExtended strand (participates in β ladder)trans-146.9156.1173.200000114.2G29 I30 L31 I74 V104G29-G76 PolarHBondContact O-N 3.46Å; I30-G76 VanDerWaalsContact CA-O 3.25Å; I30-G76 WeakPolarHBondContact CA-O 3.34Å; L31-G76 PolarHBondContact N-O 2.81Å; I74-G76 VanDerWaalsContact CG2-O 3.25Å; I74-G76 WeakPolarHBondContact CG2-O 3.42Å; G76-V104 CarbonylContact C-O 3.5Å; G76-V104 WeakPolarHBondContact CA-O 3.36Å
77V98.9Very high98.3Very high3 Ų341.1 Ų41.12%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-126.3126167.8-169.10000109.8L31 A33 F64 I74 F79 I98 I103 V104 G106L31-V77 HydrophobicContact CB-CG1 4.06Å; L31-V77 HydrophobicContact CB-CG2 4.27Å; L31-V77 HydrophobicContact CD2-CG1 3.86Å; L31-V77 HydrophobicContact CG-CG1 3.97Å; L31-V77 CarbonylContact O-C 3.59Å; L31-V77 WeakPolarHBondContact O-CA 3.23Å; A33-V77 HydrophobicContact CB-CG1 4.27Å; F64-V77 HydrophobicContact CE1-CG1 3.88Å; F64-V77 HydrophobicContact CZ-CG1 4.39Å; I74-V77 HydrophobicContact CG2-CG2 3.98Å; V77-F79 HydrophobicContact CB-CD1 4.35Å; V77-F79 HydrophobicContact CB-CE1 3.95Å; V77-F79 HydrophobicContact CG1-CD1 3.75Å; V77-F79 HydrophobicContact CG1-CE1 3.49Å; V77-F79 VanDerWaalsContact CG1-CE1 3.49Å; V77-I98 HydrophobicContact CB-CG2 4.44Å; V77-I98 HydrophobicContact CG2-CD1 4.04Å; V77-I98 HydrophobicContact CG2-CG1 4.46Å; V77-I98 HydrophobicContact CG2-CG2 4.07Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; V77-V104 PolarHBondContact N-O 2.95Å; V77-G106 PolarHBondContact O-N 3.48Å
78I98.9Very high98.3Very high0 Ų039.2 Ų39.20%018%0.176CC..EExtended strand (participates in β ladder)trans-89.7124175.3-47.9160.5000108I30 L31 A32 A33 D34 K108 F145 K147 I186 S301I30-I78 HydrophobicContact CG2-CD1 3.7Å; I30-I78 HydrophobicContact CG2-CG1 3.65Å; L31-I78 PolarHBondContact O-N 3.25Å; A32-I78 HydrophobicContact CB-CD1 4.04Å; A33-I78 CarbonylContact C-O 3.53Å; A33-I78 WeakPolarHBondContact CA-O 3.34Å; A33-I78 PolarHBondContact N-O 3.28Å; D34-I78 HydrophobicContact CB-CB 4.05Å; D34-I78 HydrophobicContact CB-CG2 3.56Å; D34-I78 PolarHBondContact N-O 3.25Å; I78-K108 HydrophobicContact CG2-CB 4.44Å; I78-F145 HydrophobicContact CD1-CE2 4.45Å; I78-F145 HydrophobicContact CG1-CE2 3.56Å; I78-F145 HydrophobicContact CG1-CZ 4Å; I78-K147 HydrophobicContact CD1-CB 4.31Å; I78-K147 HydrophobicContact CD1-CD 3.91Å; I78-K147 HydrophobicContact CD1-CG 4.12Å; I78-K147 HydrophobicContact CG2-CB 3.88Å; I78-K147 HydrophobicContact CG2-CD 4.37Å; I78-I186 HydrophobicContact CD1-CD1 4.35Å; I78-S301 WeakPolarHBondContact CD1-OG 3.12Å
79F98.8Very high98.3Very high0 Ų038.6 Ų38.60%017%0.173CC..EExtended strand (participates in β ladder)trans-100.4157.3176-72.10.4000111.9D34 F64 V77 T83 L84 F94 V95 I98 V105 G106 K108D34-F79 WeakPolarHBondContact CB-O 3.22Å; F64-F79 HydrophobicContact CD2-CE1 4.48Å; F64-F79 HydrophobicContact CD2-CZ 4.26Å; F64-F79 AromaticContact CE1-CE1 3.76Å; F64-F79 HydrophobicContact CE1-CE1 3.76Å; F64-F79 HydrophobicContact CE1-CZ 4.42Å; F64-F79 HydrophobicContact CE2-CD1 4.45Å; F64-F79 AromaticContact CE2-CE1 3.6Å; F64-F79 HydrophobicContact CE2-CE1 3.6Å; F64-F79 AromaticContact CE2-CZ 3.61Å; F64-F79 HydrophobicContact CE2-CZ 3.61Å; F64-F79 AromaticContact CZ-CD1 3.88Å; F64-F79 HydrophobicContact CZ-CD1 3.88Å; F64-F79 AromaticContact CZ-CE1 3.17Å; F64-F79 HydrophobicContact CZ-CE1 3.17Å; F64-F79 AromaticContact CZ-CZ 3.73Å; F64-F79 HydrophobicContact CZ-CZ 3.73Å; V77-F79 HydrophobicContact CB-CD1 4.35Å; V77-F79 HydrophobicContact CB-CE1 3.95Å; V77-F79 HydrophobicContact CG1-CD1 3.75Å; V77-F79 HydrophobicContact CG1-CE1 3.49Å; V77-F79 VanDerWaalsContact CG1-CE1 3.49Å; F79-T83 HydrophobicContact CD1-CG2 4.29Å; F79-T83 HydrophobicContact CD2-CG2 4.2Å; F79-T83 HydrophobicContact CE2-CG2 4.4Å; F79-T83 HydrophobicContact CG-CG2 4.13Å; F79-L84 HydrophobicContact CD2-CB 4.4Å; F79-L84 HydrophobicContact CD2-CD1 3.98Å; F79-F94 HydrophobicContact CE2-CB 3.96Å; F79-F94 HydrophobicContact CZ-CB 4.05Å; F79-V95 HydrophobicContact CE2-CG2 4.26Å; F79-I98 HydrophobicContact CE1-CG1 4.15Å; F79-I98 HydrophobicContact CZ-CG1 3.65Å; F79-V105 HydrophobicContact CD2-CG1 4.17Å; F79-V105 HydrophobicContact CE2-CG1 4.3Å; F79-G106 PolarHBondContact N-O 2.78Å; F79-K108 PolarHBondContact O-N 2.95Å
80F98.5Very high98.3Very high51 Ų5141.5 Ų41.522%0.22420%0.195CC..PPolyproline II helixtrans-86.3158.5157.8-174-116.2000109.7V37 E82 T83 L84V37-F80 HydrophobicContact CG2-CE1 4.15Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 HydrophobicContact CD1-CB 3.88Å; F80-E82 HydrophobicContact CE1-CB 4.23Å; F80-E82 PolarHBondContact O-N 3.22Å; F80-T83 PolarHBondContact O-N 2.93Å; F80-L84 PolarHBondContact O-N 3.19Å; F80-L84 VanDerWaalsContact O-N 3.16Å
81H98.6Very high98.3Very high88 Ų8843.2 Ų43.241%0.40721%0.213SC..Hα-helixtrans-51.2-45.4-177.6179.493.2000112.9T83 L84 Y85 Y138H81-T83 PolarHBondContact O-N 2.85Å; H81-L84 WeakPolarHBondContact O-CB 3.42Å; H81-L84 PolarHBondContact O-N 2.94Å; H81-Y85 AromaticContact CE1-CE2 3.48Å; H81-Y85 VanDerWaalsContact CE1-CE2 3.48Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.38Å; H81-Y85 AromaticContact ND1-CE2 3.82Å; H81-Y85 AromaticContact NE2-CE2 3.7Å; H81-Y85 WeakPolarHBondContact O-CD2 3.3Å; H81-Y138 AromaticContact ND1-CE1 3.51Å; H81-Y138 AromaticContact ND1-CZ 3.59Å; H81-Y138 PolarHBondContact ND1-OH 2.92Å
82E98.6Very high98.4Very high36 Ų3642.2 Ų42.217%0.16821%0.212CC..Hα-helixtrans-56.6-48177.4-174-176.57900111.7R56 F80 L84 Y85 Q86R56-E82 IonicContact CZ-OE1 2.72Å; R56-E82 IonicContact CZ-OE2 3.76Å; R56-E82 IonicContact NE-OE1 2.69Å; R56-E82 PolarHBondContact NE-OE1 3.23Å; R56-E82 IonicContact NE-OE2 2.64Å; R56-E82 PolarHBondContact NE-OE2 3.02Å; R56-E82 IonicContact NH2-OE1 2.62Å; R56-E82 PolarHBondContact NH2-OE1 2.84Å; R56-E82 IonicContact NH2-OE2 2.67Å; R56-E82 PolarHBondContact NH2-OE2 2.94Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 HydrophobicContact CD1-CB 3.88Å; F80-E82 HydrophobicContact CE1-CB 4.23Å; F80-E82 PolarHBondContact O-N 3.22Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.03Å; E82-Y85 PolarHBondContact O-N 3.45Å; E82-Q86 WeakPolarHBondContact O-CG 3.4Å; E82-Q86 PolarHBondContact O-N 3.39Å; E82-Q86 PolarHBondContact OE1-NE2 3.48Å
83T98.7Very high98.5Very high4 Ų438.9 Ų38.93%0.02520%0.203CC..Hα-helixtrans-65.8-30.5-177.4-48.70000113R60 F64 F79 F80 H81 Y85 Q86 F94R60-T83 HydrophobicContact CB-CG2 4.09Å; R60-T83 HydrophobicContact CG-CG2 3.83Å; F64-T83 HydrophobicContact CE2-CG2 3.69Å; F64-T83 HydrophobicContact CZ-CG2 4.05Å; F79-T83 HydrophobicContact CD1-CG2 4.29Å; F79-T83 HydrophobicContact CD2-CG2 4.2Å; F79-T83 HydrophobicContact CE2-CG2 4.4Å; F79-T83 HydrophobicContact CG-CG2 4.13Å; F80-T83 PolarHBondContact O-N 2.93Å; H81-T83 PolarHBondContact O-N 2.85Å; T83-Y85 PolarHBondContact O-N 3.18Å; T83-Q86 PolarHBondContact O-N 2.78Å; T83-F94 HydrophobicContact CG2-CD2 3.83Å; T83-F94 HydrophobicContact CG2-CE2 4.33Å
84L98.7Very high98.5Very high5 Ų538.8 Ų38.83%0.02620%0.202CC..Hα-helixtrans-59.3-30.9177.3-16873.5000112.6F79 F80 H81 E82 V95 V105 I107 Y138 D141F79-L84 HydrophobicContact CD2-CB 4.4Å; F79-L84 HydrophobicContact CD2-CD1 3.98Å; F80-L84 PolarHBondContact O-N 3.19Å; F80-L84 VanDerWaalsContact O-N 3.16Å; H81-L84 WeakPolarHBondContact O-CB 3.42Å; H81-L84 PolarHBondContact O-N 2.94Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.03Å; L84-V95 HydrophobicContact CD1-CG2 3.53Å; L84-V95 HydrophobicContact CG-CG2 4.16Å; L84-V95 WeakPolarHBondContact O-CG2 3.38Å; L84-V105 HydrophobicContact CD1-CG1 3.94Å; L84-I107 HydrophobicContact CB-CD1 4.46Å; L84-I107 HydrophobicContact CD2-CD1 4.3Å; L84-Y138 HydrophobicContact CD2-CD1 3.34Å; L84-Y138 HydrophobicContact CD2-CE1 3.76Å; L84-Y138 HydrophobicContact CD2-CG 4.31Å; L84-D141 HydrophobicContact CD2-CB 4.49Å
85Y98.7Very high98.5Very high105 Ų10539.3 Ų39.341%0.41221%0.205SC..THydrogen-bonded Turntrans-106.83.5-178.2-55.7-72.3000113.7H81 E82 T83 Y138 D141H81-Y85 AromaticContact CE1-CE2 3.48Å; H81-Y85 VanDerWaalsContact CE1-CE2 3.48Å; H81-Y85 WeakPolarHBondContact CE1-CE2 3.38Å; H81-Y85 AromaticContact ND1-CE2 3.82Å; H81-Y85 AromaticContact NE2-CE2 3.7Å; H81-Y85 WeakPolarHBondContact O-CD2 3.3Å; E82-Y85 PolarHBondContact O-N 3.45Å; T83-Y85 PolarHBondContact O-N 3.18Å; Y85-Y138 HydrophobicContact CE2-CE1 4.46Å; Y85-D141 HydrophobicContact CE1-CB 4.27Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.2Å; Y85-D141 PolarHBondContact OH-OD2 2.98Å
86Q98.8Very high98.5Very high10 Ų1046.3 Ų46.35%0.04723%0.232CC..  trans-80.7160.8175.1-82174.9-17.400112.3R57 E82 T83 F94R57-Q86 HydrophobicContact CG-CB 4.18Å; R57-Q86 HydrophobicContact CG-CG 4.16Å; E82-Q86 WeakPolarHBondContact O-CG 3.4Å; E82-Q86 PolarHBondContact O-N 3.39Å; E82-Q86 PolarHBondContact OE1-NE2 3.48Å; T83-Q86 PolarHBondContact O-N 2.78Å; Q86-F94 HydrophobicContact CB-CD2 3.56Å; Q86-F94 HydrophobicContact CB-CE2 3.47Å; Q86-F94 VanDerWaalsContact CB-CE2 3.47Å; Q86-F94 PolarHBondContact O-N 3.46Å; Q86-F94 VanDerWaalsContact O-N 3.07Å
87K98.7Very high98.4Very high114 Ų11447.3 Ų47.350%0.49624%0.238SC..BIsolated β-bridgetrans-127.3156.4-179-63173.4177.2-174.60110.5R57 G91 V92R57-K87 VanDerWaalsContact CD-O 3.31Å; R57-K87 WeakPolarHBondContact CD-O 3.47Å; R57-K87 PolarHBondContact NH1-O 2.64Å; K87-G91 WeakPolarHBondContact CD-O 3.41Å; K87-V92 CarbonylContact C-O 3.54Å; K87-V92 VanDerWaalsContact CA-O 3.23Å; K87-V92 WeakPolarHBondContact CA-O 3.11Å
88D97.8Very high98.4Very high28 Ų2847.4 Ų47.415%0.1524%0.238CC..  trans-76177.8169739.6000112.2Q61 N90 G91 V92 F94Q61-D88 HydrophobicContact CG-CB 4.13Å; Q61-D88 VanDerWaalsContact OE1-CA 3.25Å; D88-N90 PolarHBondContact O-N 2.97Å; D88-N90 VanDerWaalsContact O-N 3.15Å; D88-N90 WeakPolarHBondContact OD1-CA 3.38Å; D88-N90 WeakPolarHBondContact OD1-CB 3.25Å; D88-N90 PolarHBondContact OD1-N 3.4Å; D88-G91 PolarHBondContact O-N 3.42Å; D88-G91 PolarHBondContact OD1-N 3.48Å; D88-G91 VanDerWaalsContact OD1-N 3.07Å; D88-V92 PolarHBondContact N-O 2.89Å; D88-V92 WeakPolarHBondContact OD1-CB 3.38Å; D88-V92 PolarHBondContact OD1-N 3.06Å; D88-F94 HydrophobicContact CB-CD1 4.44Å; D88-F94 HydrophobicContact CB-CE1 3.95Å
89D97.3Very high98.4Very high89 Ų8951.5 Ų51.548%0.47626%0.257SS..THydrogen-bonded Turntrans-61.5-19.1179.3-63.5-30.5000113.7R57 Q61R57-D89 IonicContact CZ-OD1 2.95Å; R57-D89 IonicContact NH1-OD1 3.56Å; R57-D89 PolarHBondContact NH1-OD1 2.82Å; R57-D89 IonicContact NH2-OD1 2.67Å; R57-D89 PolarHBondContact NH2-OD1 3.39Å; Q61-D89 VanDerWaalsContact NE2-CG 3.29Å; Q61-D89 PolarHBondContact NE2-OD2 2.98Å; Q61-D89 PolarHBondContact OE1-OD1 3.18Å
90N97.1Very high98.3Very high141 Ų14156.6 Ų56.675%0.75429%0.285SS*.THydrogen-bonded Turntrans-93.53.9176.4-59.5-53.1000112.4D88 V92D88-N90 PolarHBondContact O-N 2.97Å; D88-N90 VanDerWaalsContact O-N 3.15Å; D88-N90 WeakPolarHBondContact OD1-CA 3.38Å; D88-N90 WeakPolarHBondContact OD1-CB 3.25Å; D88-N90 PolarHBondContact OD1-N 3.4Å; N90-V92 VanDerWaalsContact C-N 3.32Å; N90-V92 HydrophobicContact CB-CG2 4.34Å
91G97.9Very high98.2Very high40 Ų4055.8 Ų55.841%0.41228%0.281SS..SBendtrans7811.6-178.300000114.4K87 D88K87-G91 WeakPolarHBondContact CD-O 3.41Å; D88-G91 PolarHBondContact O-N 3.42Å; D88-G91 PolarHBondContact OD1-N 3.48Å; D88-G91 VanDerWaalsContact OD1-N 3.07Å
92V98.4Very high98.2Very high44 Ų4454.2 Ų54.227%0.26729%0.288SS..  trans-80.5126.7176.8-175.30000109.3K87 D88 N90 F94 R96K87-V92 CarbonylContact C-O 3.54Å; K87-V92 VanDerWaalsContact CA-O 3.23Å; K87-V92 WeakPolarHBondContact CA-O 3.11Å; D88-V92 PolarHBondContact N-O 2.89Å; D88-V92 WeakPolarHBondContact OD1-CB 3.38Å; D88-V92 PolarHBondContact OD1-N 3.06Å; N90-V92 VanDerWaalsContact C-N 3.32Å; N90-V92 HydrophobicContact CB-CG2 4.34Å; V92-F94 PolarHBondContact O-N 3.5Å; V92-R96 HydrophobicContact CG1-CB 4.16Å; V92-R96 HydrophobicContact CG1-CG 4.29Å
93P98.6Very high98.2Very high52 Ų5252.8 Ų52.834%0.33828%0.282SS..BIsolated β-bridgetrans-59136.8174.6-23.433.9000111.8V95 R96 T97P93-V95 PolarHBondContact O-N 3.23Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 2.81Å; P93-T97 PolarHBondContact O-N 2.81Å; P93-T97 VanDerWaalsContact O-N 3.14Å; P93-T97 PolarHBondContact O-OG1 2.83Å
94F98.7Very high98.2Very high1 Ų152.8 Ų52.80%0.00428%0.282CS..Hα-helixtrans-58.8-34179.6-71-36.2000113.2R57 R60 Q61 F64 F79 T83 Q86 D88 V92 R96 T97 I98R57-F94 HydrophobicContact CG-CE2 4Å; R57-F94 HydrophobicContact CG-CZ 3.92Å; R60-F94 HydrophobicContact CB-CE2 4.01Å; R60-F94 HydrophobicContact CB-CZ 4.36Å; Q61-F94 HydrophobicContact CB-CE1 3.85Å; Q61-F94 HydrophobicContact CB-CZ 3.86Å; Q61-F94 HydrophobicContact CG-CE1 4.17Å; F64-F94 HydrophobicContact CD2-CB 3.93Å; F64-F94 AromaticContact CD2-CD1 3.69Å; F64-F94 HydrophobicContact CD2-CD1 3.69Å; F64-F94 HydrophobicContact CD2-CD2 4.07Å; F64-F94 HydrophobicContact CD2-CE1 4.15Å; F64-F94 HydrophobicContact CD2-CE2 4.48Å; F64-F94 AromaticContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CD2-CG 3.65Å; F64-F94 HydrophobicContact CE2-CB 4.07Å; F64-F94 HydrophobicContact CE2-CD1 4.38Å; F64-F94 AromaticContact CE2-CD2 3.94Å; F64-F94 HydrophobicContact CE2-CD2 3.94Å; F64-F94 HydrophobicContact CE2-CE2 4.43Å; F64-F94 AromaticContact CE2-CG 3.91Å; F64-F94 HydrophobicContact CE2-CG 3.91Å; F79-F94 HydrophobicContact CE2-CB 3.96Å; F79-F94 HydrophobicContact CZ-CB 4.05Å; T83-F94 HydrophobicContact CG2-CD2 3.83Å; T83-F94 HydrophobicContact CG2-CE2 4.33Å; Q86-F94 HydrophobicContact CB-CD2 3.56Å; Q86-F94 HydrophobicContact CB-CE2 3.47Å; Q86-F94 VanDerWaalsContact CB-CE2 3.47Å; Q86-F94 PolarHBondContact O-N 3.46Å; Q86-F94 VanDerWaalsContact O-N 3.07Å; D88-F94 HydrophobicContact CB-CD1 4.44Å; D88-F94 HydrophobicContact CB-CE1 3.95Å; V92-F94 PolarHBondContact O-N 3.5Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 2.98Å; F94-T97 WeakPolarHBondContact O-CB 3.34Å; F94-T97 PolarHBondContact O-N 3.11Å; F94-T97 VanDerWaalsContact O-N 3.15Å; F94-I98 WeakPolarHBondContact O-CG1 3.37Å; F94-I98 PolarHBondContact O-N 3.35Å
95V98.6Very high98.2Very high13 Ų1352.6 Ų52.68%0.07928%0.281CS..Hα-helixtrans-51.8-48.3172.6173.20000110.8F79 L84 P93 I98 Q99 V105F79-V95 HydrophobicContact CE2-CG2 4.26Å; L84-V95 HydrophobicContact CD1-CG2 3.53Å; L84-V95 HydrophobicContact CG-CG2 4.16Å; L84-V95 WeakPolarHBondContact O-CG2 3.38Å; P93-V95 PolarHBondContact O-N 3.23Å; V95-I98 PolarHBondContact O-N 2.96Å; V95-Q99 HydrophobicContact CG1-CG 4.4Å; V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 VanDerWaalsContact O-CG 3.29Å; V95-Q99 WeakPolarHBondContact O-CG 3.36Å; V95-Q99 PolarHBondContact O-N 2.81Å; V95-V105 HydrophobicContact CG1-CG2 4.26Å; V95-V105 HydrophobicContact CG2-CG1 4.4Å
96R98.4Very high98.2Very high149 Ų14947.6 Ų47.656%0.56226%0.261SS*.Hα-helixtrans-66.3-43.4179.1-175.3173.8179.5174.83.5111.3V92 P93 F94 I98 Q99 D100V92-R96 HydrophobicContact CG1-CB 4.16Å; V92-R96 HydrophobicContact CG1-CG 4.29Å; P93-R96 WeakPolarHBondContact O-CB 3.22Å; P93-R96 PolarHBondContact O-N 2.81Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 2.98Å; R96-I98 PolarHBondContact O-N 3.46Å; R96-Q99 PolarHBondContact O-N 3.29Å; R96-D100 WeakPolarHBondContact CG-OD2 3.15Å; R96-D100 IonicContact NE-OD2 3.74Å; R96-D100 WeakPolarHBondContact O-CB 3.19Å; R96-D100 VanDerWaalsContact O-CG 3.26Å; R96-D100 PolarHBondContact O-N 3.33Å
97T97.8Very high98.2Very high21 Ų2147.2 Ų47.213%0.12926%0.259CS..Hα-helixtrans-57.1-33.9177-55.80000113.3F64 P93 F94 K101F64-T97 HydrophobicContact CB-CG2 4.34Å; P93-T97 PolarHBondContact O-N 2.81Å; P93-T97 VanDerWaalsContact O-N 3.14Å; P93-T97 PolarHBondContact O-OG1 2.83Å; F94-T97 WeakPolarHBondContact O-CB 3.34Å; F94-T97 PolarHBondContact O-N 3.11Å; F94-T97 VanDerWaalsContact O-N 3.15Å; T97-K101 PolarHBondContact O-NZ 2.79Å
98I98.5Very high98.2Very high4 Ų442.5 Ų42.52%0.02124%0.239CC..Hα-helixtrans-80-45176.1-64.5-52.7000111.3F64 V77 F79 F94 V95 R96 D100 K101 I103 V105F64-I98 HydrophobicContact CB-CD1 4.06Å; F64-I98 HydrophobicContact CD1-CD1 3.82Å; F64-I98 HydrophobicContact CG-CD1 3.92Å; V77-I98 HydrophobicContact CB-CG2 4.44Å; V77-I98 HydrophobicContact CG2-CD1 4.04Å; V77-I98 HydrophobicContact CG2-CG1 4.46Å; V77-I98 HydrophobicContact CG2-CG2 4.07Å; F79-I98 HydrophobicContact CE1-CG1 4.15Å; F79-I98 HydrophobicContact CZ-CG1 3.65Å; F94-I98 WeakPolarHBondContact O-CG1 3.37Å; F94-I98 PolarHBondContact O-N 3.35Å; V95-I98 PolarHBondContact O-N 2.96Å; R96-I98 PolarHBondContact O-N 3.46Å; I98-D100 PolarHBondContact O-N 3.44Å; I98-K101 WeakPolarHBondContact O-CB 3.45Å; I98-K101 PolarHBondContact O-N 3.48Å; I98-K101 VanDerWaalsContact O-N 3.1Å; I98-I103 HydrophobicContact CG2-CB 3.65Å; I98-I103 HydrophobicContact CG2-CG2 3.69Å; I98-I103 PolarHBondContact O-N 3.05Å; I98-V105 HydrophobicContact CB-CG2 3.86Å; I98-V105 HydrophobicContact CG2-CG2 3.62Å
99Q98.1Very high98.3Very high86 Ų8641.2 Ų41.240%0.40223%0.232SC..Hα-helixtrans-64.3-38.8179.4-73.7174.7-18.100112.8V95 R96 K101 G102 V105 G142V95-Q99 HydrophobicContact CG1-CG 4.4Å; V95-Q99 WeakPolarHBondContact O-CB 3.46Å; V95-Q99 VanDerWaalsContact O-CG 3.29Å; V95-Q99 WeakPolarHBondContact O-CG 3.36Å; V95-Q99 PolarHBondContact O-N 2.81Å; R96-Q99 PolarHBondContact O-N 3.29Å; Q99-K101 PolarHBondContact O-N 3.48Å; Q99-K101 VanDerWaalsContact O-N 3.14Å; Q99-G102 WeakPolarHBondContact O-CA 3.45Å; Q99-G102 PolarHBondContact O-N 3.01Å; Q99-V105 HydrophobicContact CG-CG2 4.08Å; Q99-G142 PolarHBondContact NE2-O 3.17Å; Q99-G142 VanDerWaalsContact NE2-O 3.09Å
100D97.3Very high98.3Very high108 Ų10837.4 Ų37.458%0.57821%0.212SC*.THydrogen-bonded Turntrans-63-20176.3-72.7-11.9000111.7R96 I98 G102R96-D100 WeakPolarHBondContact CG-OD2 3.15Å; R96-D100 IonicContact NE-OD2 3.74Å; R96-D100 WeakPolarHBondContact O-CB 3.19Å; R96-D100 VanDerWaalsContact O-CG 3.26Å; R96-D100 PolarHBondContact O-N 3.33Å; I98-D100 PolarHBondContact O-N 3.44Å; D100-G102 VanDerWaalsContact C-N 3.33Å
101K97.2Very high98.4Very high33 Ų3335.8 Ų35.814%0.14320%0.198CC..THydrogen-bonded Turntrans-86.3-1171.8-66.2-179.6178.678.40113.9F64 A66 V70 K71 T97 I98 Q99 I103F64-K101 PolarHBondContact O-NZ 2.75Å; A66-K101 WeakPolarHBondContact O-CE 2.94Å; V70-K101 HydrophobicContact CG2-CD 4.37Å; K71-K101 HydrophobicContact CG-CB 4.19Å; K71-K101 WeakPolarHBondContact CG-O 3.42Å; T97-K101 PolarHBondContact O-NZ 2.79Å; I98-K101 WeakPolarHBondContact O-CB 3.45Å; I98-K101 PolarHBondContact O-N 3.48Å; I98-K101 VanDerWaalsContact O-N 3.1Å; Q99-K101 PolarHBondContact O-N 3.48Å; Q99-K101 VanDerWaalsContact O-N 3.14Å; K101-I103 VanDerWaalsContact C-N 3.27Å; K101-I103 HydrophobicContact CB-CD1 3.83Å; K101-I103 HydrophobicContact CB-CG1 3.94Å; K101-I103 HydrophobicContact CD-CD1 4.22Å
102G97.5Very high98.3Very high55 Ų5534.5 Ų34.557%0.56719%0.185SC*.THydrogen-bonded Turntrans70.923.3-173.800000113.3Q99 D100Q99-G102 WeakPolarHBondContact O-CA 3.45Å; Q99-G102 PolarHBondContact O-N 3.01Å; D100-G102 VanDerWaalsContact C-N 3.33Å
103I98.7Very high98.3Very high7 Ų734.1 Ų34.14%0.03618%0.182CC..PPolyproline II helixtrans-100.2138.7179.4-56.8173.3000108.4V70 I74 V77 I98 K101V70-I103 HydrophobicContact CG2-CD1 4.24Å; I74-I103 HydrophobicContact CB-CD1 4.1Å; I74-I103 HydrophobicContact CG2-CD1 4.16Å; I74-I103 HydrophobicContact CG2-CG2 3.81Å; V77-I103 HydrophobicContact CG2-CG2 3.84Å; I98-I103 HydrophobicContact CG2-CB 3.65Å; I98-I103 HydrophobicContact CG2-CG2 3.69Å; I98-I103 PolarHBondContact O-N 3.05Å; K101-I103 VanDerWaalsContact C-N 3.27Å; K101-I103 HydrophobicContact CB-CD1 3.83Å; K101-I103 HydrophobicContact CB-CG1 3.94Å; K101-I103 HydrophobicContact CD-CD1 4.22Å
104V98.9Very high98.3Very high4 Ų433.7 Ų33.72%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-77.4138.8-179.8-169.60000109.7I19 R22 I23 G75 G76 V77 D144 F145I19-V104 HydrophobicContact CG2-CG1 4.24Å; R22-V104 HydrophobicContact CB-CG2 4.18Å; I23-V104 HydrophobicContact CD1-CG1 4.33Å; I23-V104 HydrophobicContact CG1-CB 3.91Å; I23-V104 HydrophobicContact CG1-CG1 4.16Å; I23-V104 HydrophobicContact CG1-CG2 3.92Å; G75-V104 WeakPolarHBondContact O-CB 3.47Å; G75-V104 WeakPolarHBondContact O-CG2 3.4Å; G75-V104 PolarHBondContact O-N 3.25Å; G76-V104 CarbonylContact C-O 3.5Å; G76-V104 WeakPolarHBondContact CA-O 3.36Å; V77-V104 PolarHBondContact N-O 2.95Å; V104-D144 HydrophobicContact CG1-CB 3.5Å; V104-F145 HydrophobicContact CB-CD1 4.25Å; V104-F145 HydrophobicContact CB-CE1 4.09Å; V104-F145 HydrophobicContact CG1-CD1 3.61Å; V104-F145 HydrophobicContact CG1-CE1 3.93Å; V104-F145 WeakPolarHBondContact O-CE1 3.38Å
105V98.9Very high98.3Very high1 Ų139 Ų391%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-93.3133.9175.5174.80000109.8F79 L84 V95 I98 Q99 A143 D144 F145F79-V105 HydrophobicContact CD2-CG1 4.17Å; F79-V105 HydrophobicContact CE2-CG1 4.3Å; L84-V105 HydrophobicContact CD1-CG1 3.94Å; V95-V105 HydrophobicContact CG1-CG2 4.26Å; V95-V105 HydrophobicContact CG2-CG1 4.4Å; I98-V105 HydrophobicContact CB-CG2 3.86Å; I98-V105 HydrophobicContact CG2-CG2 3.62Å; Q99-V105 HydrophobicContact CG-CG2 4.08Å; V105-A143 HydrophobicContact CG1-CB 4.37Å; V105-A143 CarbonylContact O-C 3.53Å; V105-A143 WeakPolarHBondContact O-CA 3.41Å; V105-D144 PolarHBondContact O-N 2.67Å; V105-F145 VanDerWaalsContact O-CD1 3.24Å; V105-F145 WeakPolarHBondContact O-CD1 3.48Å; V105-F145 PolarHBondContact O-N 2.67Å
106G98.9Very high98.3Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-125161.4176.300000112.4V77 F79 F145V77-G106 PolarHBondContact O-N 3.48Å; F79-G106 PolarHBondContact N-O 2.78Å; G106-F145 CarbonylContact C-O 3.6Å; G106-F145 VanDerWaalsContact CA-CD1 3.43Å; G106-F145 WeakPolarHBondContact CA-O 3.35Å
107I98.9Very high98.3Very high1 Ų137.2 Ų37.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-133.7131.2-175.4-176.460000111.5L84 V109 Y138 A143 F145 A146 K147L84-I107 HydrophobicContact CB-CD1 4.46Å; L84-I107 HydrophobicContact CD2-CD1 4.3Å; I107-V109 HydrophobicContact CG1-CG1 4.22Å; I107-V109 HydrophobicContact CG2-CG1 3.82Å; I107-V109 PolarHBondContact O-N 2.95Å; I107-Y138 HydrophobicContact CB-CD2 4.46Å; I107-Y138 HydrophobicContact CD1-CE1 4.3Å; I107-Y138 HydrophobicContact CG1-CD1 4.12Å; I107-Y138 HydrophobicContact CG1-CD2 3.85Å; I107-Y138 HydrophobicContact CG1-CE1 4Å; I107-Y138 HydrophobicContact CG1-CE2 3.73Å; I107-Y138 HydrophobicContact CG1-CG 4.03Å; I107-Y138 HydrophobicContact CG2-CD2 3.83Å; I107-Y138 HydrophobicContact CG2-CE2 4.44Å; I107-Y138 HydrophobicContact CG2-CG 4.04Å; I107-A143 HydrophobicContact CB-CB 4.19Å; I107-A143 HydrophobicContact CG2-CB 3.85Å; I107-F145 PolarHBondContact N-O 3Å; I107-A146 HydrophobicContact CG2-CB 4.35Å; I107-A146 CarbonylContact O-C 3.53Å; I107-A146 WeakPolarHBondContact O-CA 3.44Å; I107-K147 PolarHBondContact O-N 3.1Å
108K98.8Very high98.3Very high16 Ų1640.5 Ų40.57%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-73.2125.6168-179.8-172.7177.7-173.80109.7D34 I78 F79 D110D34-K108 HydrophobicContact CB-CB 3.82Å; D34-K108 HydrophobicContact CB-CD 4.41Å; D34-K108 WeakPolarHBondContact OD2-CD 3.13Å; I78-K108 HydrophobicContact CG2-CB 4.44Å; F79-K108 PolarHBondContact O-N 2.95Å; K108-D110 WeakPolarHBondContact CE-OD1 3.49Å; K108-D110 WeakPolarHBondContact CE-OD2 3.41Å; K108-D110 WeakPolarHBondContact CG-OD2 3.35Å; K108-D110 IonicContact NZ-OD1 3.98Å
109V98.8Very high98.3Very high0 Ų041.9 Ų41.90%028%0.275CS..  trans-119.3-12.6-174.6-57.40000114.9I107 L131 R134 Y138 A146 K147 W148 Y174I107-V109 HydrophobicContact CG1-CG1 4.22Å; I107-V109 HydrophobicContact CG2-CG1 3.82Å; I107-V109 PolarHBondContact O-N 2.95Å; V109-L131 HydrophobicContact CB-CD1 3.72Å; V109-L131 HydrophobicContact CG1-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.77Å; V109-R134 PolarHBondContact O-NH1 3.37Å; V109-R134 PolarHBondContact O-NH2 2.95Å; V109-Y138 HydrophobicContact CG1-CD2 4.05Å; V109-Y138 HydrophobicContact CG1-CE2 3.85Å; V109-A146 HydrophobicContact CG1-CB 4.08Å; V109-A146 HydrophobicContact CG2-CB 4.09Å; V109-K147 PolarHBondContact N-O 3.36Å; V109-W148 HydrophobicContact CG2-CE3 4.08Å; V109-Y174 HydrophobicContact CG2-CD2 3.73Å; V109-Y174 HydrophobicContact CG2-CE2 3.35Å
110D98.6Very high98.2Very high10 Ų1043.1 Ų43.15%0.05328%0.284CS..  trans-62.2156.9168.473.374.4000111.8K108 G112 T125 W148 R149 Y364K108-D110 WeakPolarHBondContact CE-OD1 3.49Å; K108-D110 WeakPolarHBondContact CE-OD2 3.41Å; K108-D110 WeakPolarHBondContact CG-OD2 3.35Å; K108-D110 IonicContact NZ-OD1 3.98Å; D110-G112 PolarHBondContact OD1-N 3.32Å; D110-G112 VanDerWaalsContact OD1-N 3.09Å; D110-T125 HydrophobicContact CB-CG2 3.61Å; D110-W148 HydrophobicContact CB-CB 4.47Å; D110-W148 HydrophobicContact CB-CD2 3.59Å; D110-W148 HydrophobicContact CB-CE3 3.8Å; D110-W148 HydrophobicContact CB-CG 3.9Å; D110-W148 HydrophobicContact CB-CZ2 4.43Å; D110-W148 HydrophobicContact CB-CZ3 4.31Å; D110-R149 PolarHBondContact OD2-N 2.93Å; D110-R149 VanDerWaalsContact OD2-N 3.17Å; D110-Y364 WeakPolarHBondContact OD1-CE1 2.95Å; D110-Y364 PolarHBondContact OD1-OH 3.45Å
111K98Very high98.1Very high106 Ų10641.4 Ų41.446%0.46129%0.292SS..  trans-11431.4177.1-64.8-176.1-176.6166.80111.3Q126K111-Q126 HydrophobicContact CB-CG 4.07Å; K111-Q126 PolarHBondContact N-O 3.05Å; K111-Q126 WeakPolarHBondContact O-CG 3.46Å; K111-Q126 PolarHBondContact O-NE2 3.19Å
112G97Very high98.2Very high13 Ų1340.4 Ų40.413%0.13429%0.288CS..  trans86172.2178.500000115D110 T125 Q126 Y364D110-G112 PolarHBondContact OD1-N 3.32Å; D110-G112 VanDerWaalsContact OD1-N 3.09Å; G112-T125 WeakPolarHBondContact O-CG2 3.32Å; G112-Q126 VanDerWaalsContact O-CG 3.29Å; G112-Q126 WeakPolarHBondContact O-CG 3.43Å; G112-Q126 PolarHBondContact O-N 2.91Å; G112-Y364 VanDerWaalsContact CA-CE2 3.46Å
113V98Very high98.3Very high36 Ų3639 Ų3922%0.21827%0.268CS..EExtended strand (participates in β ladder)trans-82153.4177.2-73.90000111.5T123 T124 V151 A363 Y364V113-T123 HydrophobicContact CB-CG2 3.96Å; V113-T123 HydrophobicContact CG1-CG2 4.48Å; V113-T123 HydrophobicContact CG2-CG2 4.07Å; V113-T124 CarbonylContact C-O 3.37Å; V113-T124 WeakPolarHBondContact CA-O 3.29Å; V113-T124 WeakPolarHBondContact CB-O 3.48Å; V113-V151 HydrophobicContact CG1-CB 4.06Å; V113-V151 HydrophobicContact CG1-CG2 3.8Å; V113-A363 HydrophobicContact CG2-CB 3.84Å; V113-Y364 HydrophobicContact CB-CD2 4.46Å; V113-Y364 HydrophobicContact CB-CE2 3.88Å; V113-Y364 HydrophobicContact CG1-CD2 4.45Å; V113-Y364 HydrophobicContact CG1-CE2 3.54Å; V113-Y364 HydrophobicContact CG2-CD2 3.88Å; V113-Y364 HydrophobicContact CG2-CE2 3.79Å
114V98.4Very high98.3Very high43 Ų4339.2 Ų39.226%0.26127%0.27SS..EExtended strand (participates in β ladder)trans-131.7145.6171-67.60000109.6T123 T124 Q126V114-T123 CarbonylContact O-C 3.45Å; V114-T123 WeakPolarHBondContact O-CA 3.32Å; V114-T123 WeakPolarHBondContact O-CB 3.07Å; V114-T124 HydrophobicContact CG2-CG2 3.59Å; V114-T124 PolarHBondContact N-O 3.33Å; V114-T124 PolarHBondContact O-N 3.46Å; V114-Q126 HydrophobicContact CG1-CB 4.28Å; V114-Q126 HydrophobicContact CG1-CG 3.83Å; V114-Q126 HydrophobicContact CG2-CB 4.5Å
115P98.5Very high98.3Very high114 Ų11439.2 Ų39.274%0.7427%0.27SS*.EExtended strand (participates in β ladder)trans-68142.9-177.328.1-34.9000112.1
116L98.6Very high98.3Very high25 Ų2543.7 Ų43.713%0.13129%0.291CS..  trans-90.7110.4169.7-74169.5000110G118 T119 E122 T124 A163 E166L116-G118 PolarHBondContact O-N 3.49Å; L116-T119 HydrophobicContact CB-CG2 3.71Å; L116-T119 WeakPolarHBondContact O-CB 3.28Å; L116-T119 PolarHBondContact O-N 3.01Å; L116-T119 PolarHBondContact O-OG1 3.18Å; L116-E122 PolarHBondContact N-O 3.03Å; L116-T124 HydrophobicContact CD2-CG2 3.9Å; L116-T124 HydrophobicContact CG-CG2 4.35Å; L116-A163 HydrophobicContact CD1-CB 4.06Å; L116-E166 HydrophobicContact CD2-CG 4.1Å
117A98.4Very high98.2Very high98 Ų9844.2 Ų44.281%0.8130%0.296SS*.THydrogen-bonded Turntrans-57.5137.2178.500000111.5T119A117-T119 VanDerWaalsContact C-N 3.33Å
118G97.8Very high98.2Very high90 Ų9046.2 Ų46.293%0.92831%0.306SS*.THydrogen-bonded Turntrans80.69-178.700000115L116L116-G118 PolarHBondContact O-N 3.49Å
119T98.4Very high98.2Very high33 Ų3352 Ų5220%0.20234%0.338CS..SBendtrans-110.1163174.171.20000112.2L116 A117 G121 E122 L162L116-T119 HydrophobicContact CB-CG2 3.71Å; L116-T119 WeakPolarHBondContact O-CB 3.28Å; L116-T119 PolarHBondContact O-N 3.01Å; L116-T119 PolarHBondContact O-OG1 3.18Å; A117-T119 VanDerWaalsContact C-N 3.33Å; T119-G121 VanDerWaalsContact C-N 3.31Å; T119-G121 PolarHBondContact O-N 3.35Å; T119-E122 WeakPolarHBondContact CB-OE2 3.45Å; T119-E122 HydrophobicContact CG2-CB 4.4Å; T119-E122 WeakPolarHBondContact OG1-CB 3.27Å; T119-E122 PolarHBondContact OG1-N 3.28Å; T119-L162 HydrophobicContact CG2-CD2 3.9Å
120D96.4Very high98.2Very high113 Ų11353.8 Ų53.860%0.60436%0.356SS*.SBendtrans-82.374.1175.8-17724.5000111E122 T158D120-E122 VanDerWaalsContact C-N 3.26Å; D120-E122 PolarHBondContact O-N 3.25Å; D120-T158 HydrophobicContact CB-CG2 4.22Å
121G96.2Very high98.2Very high71 Ų7153.3 Ų53.373%0.73235%0.354SS*.SBendtrans6722.3176.800000114.8T119T119-G121 VanDerWaalsContact C-N 3.31Å; T119-G121 PolarHBondContact O-N 3.35Å
122E98.6Very high98.3Very high12 Ų1250.5 Ų50.56%0.05635%0.347CS..  trans-83.4162.1178-50.5-175.797.400111.7L116 T119 D120 T158 P159 S160 A163L116-E122 PolarHBondContact N-O 3.03Å; T119-E122 WeakPolarHBondContact CB-OE2 3.45Å; T119-E122 HydrophobicContact CG2-CB 4.4Å; T119-E122 WeakPolarHBondContact OG1-CB 3.27Å; T119-E122 PolarHBondContact OG1-N 3.28Å; D120-E122 VanDerWaalsContact C-N 3.26Å; D120-E122 PolarHBondContact O-N 3.25Å; E122-T158 HydrophobicContact CG-CG2 3.61Å; E122-P159 WeakPolarHBondContact OE1-CA 3.35Å; E122-S160 PolarHBondContact OE1-N 3.19Å; E122-S160 WeakPolarHBondContact OE2-CB 3.37Å; E122-S160 PolarHBondContact OE2-OG 2.67Å; E122-A163 HydrophobicContact CB-CB 4.05Å; E122-A163 VanDerWaalsContact CD-CB 3.48Å; E122-A163 HydrophobicContact CG-CB 4.37Å; E122-A163 WeakPolarHBondContact OE1-CB 3.45Å
123T98.8Very high98.4Very high25 Ų2556.1 Ų56.115%0.15337%0.37CS..EExtended strand (participates in β ladder)trans-133155.4-174.756.30000112.6V113 V114 V151 N167V113-T123 HydrophobicContact CB-CG2 3.96Å; V113-T123 HydrophobicContact CG1-CG2 4.48Å; V113-T123 HydrophobicContact CG2-CG2 4.07Å; V114-T123 CarbonylContact O-C 3.45Å; V114-T123 WeakPolarHBondContact O-CA 3.32Å; V114-T123 WeakPolarHBondContact O-CB 3.07Å; T123-V151 PolarHBondContact OG1-O 3.15Å; T123-N167 PolarHBondContact O-ND2 3.4Å
124T98.8Very high98.4Very high13 Ų1357 Ų578%0.0837%0.37CS..EExtended strand (participates in β ladder)trans-112179.2153.8-1740000108.6V113 V114 L116 E166V113-T124 CarbonylContact C-O 3.37Å; V113-T124 WeakPolarHBondContact CA-O 3.29Å; V113-T124 WeakPolarHBondContact CB-O 3.48Å; V114-T124 HydrophobicContact CG2-CG2 3.59Å; V114-T124 PolarHBondContact N-O 3.33Å; V114-T124 PolarHBondContact O-N 3.46Å; L116-T124 HydrophobicContact CD2-CG2 3.9Å; L116-T124 HydrophobicContact CG-CG2 4.35Å; T124-E166 HydrophobicContact CG2-CG 4.15Å; T124-E166 WeakPolarHBondContact OG1-CG 3.34Å; T124-E166 PolarHBondContact OG1-OE1 2.72Å
125T98.8Very high98.4Very high4 Ų455 Ų553%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-117.7137.2179.1-62.60000110.6D110 G112 W148 R149 V170D110-T125 HydrophobicContact CB-CG2 3.61Å; G112-T125 WeakPolarHBondContact O-CG2 3.32Å; T125-W148 HydrophobicContact CG2-CD2 4.38Å; T125-W148 VanDerWaalsContact CG2-CE2 3.49Å; T125-W148 HydrophobicContact CG2-CZ2 3.74Å; T125-W148 WeakPolarHBondContact O-CZ2 3.45Å; T125-R149 WeakPolarHBondContact CB-O 3.35Å; T125-R149 VanDerWaalsContact CG2-O 3.23Å; T125-R149 WeakPolarHBondContact CG2-O 3.44Å; T125-R149 PolarHBondContact OG1-O 3.46Å; T125-V170 WeakPolarHBondContact O-CG2 3.45Å
126Q98.6Very high98.4Very high95 Ų9551.9 Ų51.944%0.44434%0.341SS..  trans-100.8164.2178.859.3171.314.800112.1K111 G112 V114 W148K111-Q126 HydrophobicContact CB-CG 4.07Å; K111-Q126 PolarHBondContact N-O 3.05Å; K111-Q126 WeakPolarHBondContact O-CG 3.46Å; K111-Q126 PolarHBondContact O-NE2 3.19Å; G112-Q126 VanDerWaalsContact O-CG 3.29Å; G112-Q126 WeakPolarHBondContact O-CG 3.43Å; G112-Q126 PolarHBondContact O-N 2.91Å; V114-Q126 HydrophobicContact CG1-CB 4.28Å; V114-Q126 HydrophobicContact CG1-CG 3.83Å; V114-Q126 HydrophobicContact CG2-CB 4.5Å; Q126-W148 VanDerWaalsContact C-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CH2 3.44Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.48Å
127G98.7Very high98.5Very high10 Ų1054.7 Ų54.710%0.10335%0.354CS..  trans137.35.5172.500000117D129 R134 W148G127-D129 VanDerWaalsContact C-N 3.32Å; G127-R134 PolarHBondContact O-NH1 2.95Å; G127-W148 VanDerWaalsContact C-CH2 3.42Å; G127-W148 VanDerWaalsContact CA-CH2 3.42Å
128L98.9Very high98.5Very high44 Ų4450.5 Ų50.523%0.2332%0.317CS..  trans-70.9-27.8-178-64.2-176.1000112.6G130 L131 W148 V170 R173 I177L128-G130 PolarHBondContact O-N 3.15Å; L128-L131 HydrophobicContact CD2-CD2 3.93Å; L128-L131 WeakPolarHBondContact O-CB 3.34Å; L128-L131 PolarHBondContact O-N 3.01Å; L128-W148 HydrophobicContact CD2-CH2 3.7Å; L128-W148 HydrophobicContact CD2-CZ2 4.37Å; L128-W148 HydrophobicContact CD2-CZ3 3.98Å; L128-W148 HydrophobicContact CG-CH2 3.95Å; L128-V170 HydrophobicContact CD1-CG2 3.95Å; L128-V170 HydrophobicContact CD2-CG2 4.39Å; L128-V170 HydrophobicContact CG-CG2 4.12Å; L128-R173 HydrophobicContact CD1-CB 3.66Å; L128-R173 HydrophobicContact CD1-CG 4.2Å; L128-R173 HydrophobicContact CD2-CB 4.11Å; L128-I177 HydrophobicContact CD2-CD1 4.39Å
129D98.8Very high98.5Very high136 Ų13648.5 Ų48.573%0.72728%0.283SS*.THydrogen-bonded Turntrans-62.3120.3-179.6-59.8-9.1000111.1G127 L131G127-D129 VanDerWaalsContact C-N 3.32Å; D129-L131 PolarHBondContact O-N 3.17Å
130G98.6Very high98.5Very high38 Ų3854.8 Ų54.839%0.39231%0.308SS..THydrogen-bonded Turntrans67.417.6-17600000114.1L128 S132 E133 R134L128-G130 PolarHBondContact O-N 3.15Å; G130-S132 PolarHBondContact O-N 2.93Å; G130-E133 VanDerWaalsContact C-OE2 3.26Å; G130-E133 VanDerWaalsContact CA-OE2 3.26Å; G130-E133 WeakPolarHBondContact CA-OE2 3.41Å; G130-R134 WeakPolarHBondContact O-CB 2.97Å; G130-R134 WeakPolarHBondContact O-CD 3.29Å; G130-R134 VanDerWaalsContact O-CG 3.22Å; G130-R134 WeakPolarHBondContact O-CG 3.46Å; G130-R134 PolarHBondContact O-N 3.05Å; G130-R134 VanDerWaalsContact O-N 3.1Å
131L98.9Very high98.7Very high1 Ų151.7 Ų51.71%0.00529%0.291CS..Hα-helixtrans-66.9-34.7-175179.662.5000112.4V109 L128 D129 R134 C135 W148 Y174 I177V109-L131 HydrophobicContact CB-CD1 3.72Å; V109-L131 HydrophobicContact CG1-CD1 4.42Å; V109-L131 HydrophobicContact CG2-CD1 3.77Å; L128-L131 HydrophobicContact CD2-CD2 3.93Å; L128-L131 WeakPolarHBondContact O-CB 3.34Å; L128-L131 PolarHBondContact O-N 3.01Å; D129-L131 PolarHBondContact O-N 3.17Å; L131-R134 PolarHBondContact O-N 2.74Å; L131-C135 WeakPolarHBondContact O-CB 3.36Å; L131-C135 PolarHBondContact O-N 3.07Å; L131-C135 PolarHBondContact O-SG 3.38Å; L131-C135 VanDerWaalsContact O-SG 3.41Å; L131-W148 HydrophobicContact CD2-CZ3 4.15Å; L131-Y174 HydrophobicContact CD2-CD2 4.05Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.09Å; L131-I177 HydrophobicContact CD2-CB 4.11Å; L131-I177 HydrophobicContact CD2-CD1 4.16Å; L131-I177 HydrophobicContact CD2-CG2 3.99Å; L131-I177 HydrophobicContact CG-CB 4.44Å; L131-I177 HydrophobicContact CG-CG2 3.77Å
132S98.8Very high98.8Very high46 Ų4649 Ų4932%0.32226%0.263SS..Hα-helixtrans-64.4-47.4179.8-166.90000111.1G130 R134 C135 A136 N181G130-S132 PolarHBondContact O-N 2.93Å; S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 2.88Å; S132-C135 PolarHBondContact O-N 2.95Å; S132-A136 PolarHBondContact O-N 2.83Å; S132-N181 PolarHBondContact O-OD1 3.46Å; S132-N181 PolarHBondContact OG-ND2 3.21Å
133E98.8Very high98.8Very high132 Ų13248.4 Ų48.462%0.61726%0.26SS*.Hα-helixtrans-62.5-42.1178-6373.9-164.400110.8G130 A136 Q137G130-E133 VanDerWaalsContact C-OE2 3.26Å; G130-E133 VanDerWaalsContact CA-OE2 3.26Å; G130-E133 WeakPolarHBondContact CA-OE2 3.41Å; E133-A136 PolarHBondContact O-N 2.98Å; E133-Q137 WeakPolarHBondContact O-CB 3.23Å; E133-Q137 PolarHBondContact O-N 3.14Å
134R98.8Very high98.8Very high54 Ų5448.8 Ų48.820%0.20426%0.261CS..Hα-helixtrans-61.6-46173.9-72.4168.364.4-144.40.4111.6V109 G127 G130 L131 S132 Q137 Y138V109-R134 PolarHBondContact O-NH1 3.37Å; V109-R134 PolarHBondContact O-NH2 2.95Å; G127-R134 PolarHBondContact O-NH1 2.95Å; G130-R134 WeakPolarHBondContact O-CB 2.97Å; G130-R134 WeakPolarHBondContact O-CD 3.29Å; G130-R134 VanDerWaalsContact O-CG 3.22Å; G130-R134 WeakPolarHBondContact O-CG 3.46Å; G130-R134 PolarHBondContact O-N 3.05Å; G130-R134 VanDerWaalsContact O-N 3.1Å; L131-R134 PolarHBondContact O-N 2.74Å; S132-R134 VanDerWaalsContact C-N 3.32Å; S132-R134 PolarHBondContact O-N 2.88Å; R134-Q137 PolarHBondContact O-N 2.82Å; R134-Y138 HydrophobicContact CB-CD2 4.34Å; R134-Y138 HydrophobicContact CB-CE2 4.01Å; R134-Y138 WeakPolarHBondContact O-CB 3.05Å; R134-Y138 WeakPolarHBondContact O-CD2 3.45Å; R134-Y138 PolarHBondContact O-N 3.03Å
135C98.9Very high98.8Very high1 Ų148.1 Ų48.11%0.00726%0.257CS..Hα-helixtrans-62.5-43.9177.9-79.10000112L131 S132 Q137 Y138 K139 N181 I183L131-C135 WeakPolarHBondContact O-CB 3.36Å; L131-C135 PolarHBondContact O-N 3.07Å; L131-C135 PolarHBondContact O-SG 3.38Å; L131-C135 VanDerWaalsContact O-SG 3.41Å; S132-C135 PolarHBondContact O-N 2.95Å; C135-Q137 VanDerWaalsContact C-N 3.33Å; C135-Q137 PolarHBondContact O-N 3.09Å; C135-Y138 PolarHBondContact O-N 3.02Å; C135-K139 WeakPolarHBondContact O-CB 3.47Å; C135-K139 PolarHBondContact O-N 3.05Å; C135-N181 HydrophobicContact CB-CB 3.65Å; C135-I183 HydrophobicContact CB-CG1 4.39Å
136A98.8Very high98.8Very high48 Ų4848 Ų4840%0.39726%0.256SS..Hα-helixtrans-59.4-44.1175.400000111.8S132 E133 K139 K140S132-A136 PolarHBondContact O-N 2.83Å; E133-A136 PolarHBondContact O-N 2.98Å; A136-K139 PolarHBondContact O-N 2.92Å; A136-K140 PolarHBondContact O-N 3.45Å; A136-K140 VanDerWaalsContact O-N 3.09Å
137Q98.9Very high98.8Very high85 Ų8543.9 Ų43.940%0.39724%0.237SC..Hα-helixtrans-64.6-47.5176.9-173.45754.700111.3E133 R134 C135 K139 K140 D141E133-Q137 WeakPolarHBondContact O-CB 3.23Å; E133-Q137 PolarHBondContact O-N 3.14Å; R134-Q137 PolarHBondContact O-N 2.82Å; C135-Q137 VanDerWaalsContact C-N 3.33Å; C135-Q137 PolarHBondContact O-N 3.09Å; Q137-K139 VanDerWaalsContact C-N 3.31Å; Q137-K139 PolarHBondContact O-N 3.27Å; Q137-K140 WeakPolarHBondContact O-CB 3.34Å; Q137-K140 PolarHBondContact O-N 2.82Å; Q137-K140 VanDerWaalsContact O-N 3.15Å; Q137-D141 WeakPolarHBondContact CG-OD2 3.43Å; Q137-D141 PolarHBondContact NE2-OD1 3.28Å; Q137-D141 PolarHBondContact NE2-OD2 3.42Å; Q137-D141 PolarHBondContact O-N 3.33Å
138Y98.9Very high98.8Very high9 Ų943.4 Ų43.44%0.03523%0.232CC..Hα-helixtrans-62.6-36177.3-65.8-41.5000113.3H81 L84 Y85 I107 V109 R134 C135 D141 G142 A143H81-Y138 AromaticContact ND1-CE1 3.51Å; H81-Y138 AromaticContact ND1-CZ 3.59Å; H81-Y138 PolarHBondContact ND1-OH 2.92Å; L84-Y138 HydrophobicContact CD2-CD1 3.34Å; L84-Y138 HydrophobicContact CD2-CE1 3.76Å; L84-Y138 HydrophobicContact CD2-CG 4.31Å; Y85-Y138 HydrophobicContact CE2-CE1 4.46Å; I107-Y138 HydrophobicContact CB-CD2 4.46Å; I107-Y138 HydrophobicContact CD1-CE1 4.3Å; I107-Y138 HydrophobicContact CG1-CD1 4.12Å; I107-Y138 HydrophobicContact CG1-CD2 3.85Å; I107-Y138 HydrophobicContact CG1-CE1 4Å; I107-Y138 HydrophobicContact CG1-CE2 3.73Å; I107-Y138 HydrophobicContact CG1-CG 4.03Å; I107-Y138 HydrophobicContact CG2-CD2 3.83Å; I107-Y138 HydrophobicContact CG2-CE2 4.44Å; I107-Y138 HydrophobicContact CG2-CG 4.04Å; V109-Y138 HydrophobicContact CG1-CD2 4.05Å; V109-Y138 HydrophobicContact CG1-CE2 3.85Å; R134-Y138 HydrophobicContact CB-CD2 4.34Å; R134-Y138 HydrophobicContact CB-CE2 4.01Å; R134-Y138 WeakPolarHBondContact O-CB 3.05Å; R134-Y138 WeakPolarHBondContact O-CD2 3.45Å; R134-Y138 PolarHBondContact O-N 3.03Å; C135-Y138 PolarHBondContact O-N 3.02Å; Y138-D141 CarbonylContact O-C 3.45Å; Y138-D141 PolarHBondContact O-N 3.41Å; Y138-G142 PolarHBondContact O-N 3.07Å; Y138-G142 VanDerWaalsContact O-N 3.1Å; Y138-A143 WeakPolarHBondContact O-CB 3.49Å; Y138-A143 PolarHBondContact O-N 3.31Å
139K98.8Very high98.8Very high48 Ų4842 Ų4221%0.20922%0.224CC..Hα-helixtrans-61.1-46.3173.8-175.566175.3-171.60110.8E15 C135 A136 Q137 D141 G142 A143 D144 G182 I183E15-K139 VanDerWaalsContact OE1-CE 3.26Å; E15-K139 WeakPolarHBondContact OE1-CE 3.15Å; E15-K139 IonicContact OE1-NZ 2.74Å; E15-K139 PolarHBondContact OE1-NZ 3.49Å; C135-K139 WeakPolarHBondContact O-CB 3.47Å; C135-K139 PolarHBondContact O-N 3.05Å; A136-K139 PolarHBondContact O-N 2.92Å; Q137-K139 VanDerWaalsContact C-N 3.31Å; Q137-K139 PolarHBondContact O-N 3.27Å; K139-D141 PolarHBondContact O-N 3.2Å; K139-G142 PolarHBondContact O-N 2.97Å; K139-A143 WeakPolarHBondContact CA-O 2.99Å; K139-A143 WeakPolarHBondContact CD-O 3.42Å; K139-D144 IonicContact NZ-OD1 2.73Å; K139-D144 PolarHBondContact NZ-OD1 3.13Å; K139-G182 WeakPolarHBondContact CE-O 3.41Å; K139-G182 PolarHBondContact NZ-O 2.94Å; K139-I183 HydrophobicContact CB-CD1 3.97Å; K139-I183 HydrophobicContact CB-CG1 4.33Å; K139-I183 HydrophobicContact CD-CD1 3.76Å; K139-I183 HydrophobicContact CD-CG1 4.43Å; K139-I183 HydrophobicContact CG-CD1 4.43Å
140K98.7Very high98.8Very high166 Ų16635.5 Ų35.572%0.72219%0.189SC*.Hα-helixtrans-60.8-35.7174.7-178.2-179.9175.9-177.10112.2A136 Q137 G142A136-K140 PolarHBondContact O-N 3.45Å; A136-K140 VanDerWaalsContact O-N 3.09Å; Q137-K140 WeakPolarHBondContact O-CB 3.34Å; Q137-K140 PolarHBondContact O-N 2.82Å; Q137-K140 VanDerWaalsContact O-N 3.15Å; K140-G142 VanDerWaalsContact C-N 3.25Å; K140-G142 PolarHBondContact O-N 3.35Å
141D98.7Very high98.8Very high48 Ų4834 Ų3426%0.25717%0.173SC..THydrogen-bonded Turntrans-86.37.2-179.2-58.6-26.8000113.3L84 Y85 Q137 Y138 K139L84-D141 HydrophobicContact CD2-CB 4.49Å; Y85-D141 HydrophobicContact CE1-CB 4.27Å; Y85-D141 WeakPolarHBondContact CE1-OD2 3.2Å; Y85-D141 PolarHBondContact OH-OD2 2.98Å; Q137-D141 WeakPolarHBondContact CG-OD2 3.43Å; Q137-D141 PolarHBondContact NE2-OD1 3.28Å; Q137-D141 PolarHBondContact NE2-OD2 3.42Å; Q137-D141 PolarHBondContact O-N 3.33Å; Y138-D141 CarbonylContact O-C 3.45Å; Y138-D141 PolarHBondContact O-N 3.41Å; K139-D141 PolarHBondContact O-N 3.2Å
142G98.6Very high98.8Very high14 Ų1434.2 Ų34.214%0.14417%0.174CC..THydrogen-bonded Turntrans102.45.8166.100000116.4Q99 Y138 K139 K140Q99-G142 PolarHBondContact NE2-O 3.17Å; Q99-G142 VanDerWaalsContact NE2-O 3.09Å; Y138-G142 PolarHBondContact O-N 3.07Å; Y138-G142 VanDerWaalsContact O-N 3.1Å; K139-G142 PolarHBondContact O-N 2.97Å; K140-G142 VanDerWaalsContact C-N 3.25Å; K140-G142 PolarHBondContact O-N 3.35Å
143A98.9Very high98.8Very high0 Ų035.6 Ų35.60%017%0.174CC..  trans-81.6136.5171.300000111.1V105 I107 Y138 K139 I183V105-A143 HydrophobicContact CG1-CB 4.37Å; V105-A143 CarbonylContact O-C 3.53Å; V105-A143 WeakPolarHBondContact O-CA 3.41Å; I107-A143 HydrophobicContact CB-CB 4.19Å; I107-A143 HydrophobicContact CG2-CB 3.85Å; Y138-A143 WeakPolarHBondContact O-CB 3.49Å; Y138-A143 PolarHBondContact O-N 3.31Å; K139-A143 WeakPolarHBondContact CA-O 2.99Å; K139-A143 WeakPolarHBondContact CD-O 3.42Å; A143-I183 WeakPolarHBondContact O-CD1 3.21Å
144D98.9Very high98.8Very high32 Ų3229.6 Ų29.617%0.17115%0.146CC..  trans-115.4-14.2-178.9-88.9-23.1000112.5I19 R22 V104 V105 K139 I183 V184I19-D144 HydrophobicContact CD1-CB 4.06Å; I19-D144 HydrophobicContact CG1-CB 4.26Å; I19-D144 HydrophobicContact CG2-CB 3.93Å; R22-D144 IonicContact NH2-OD2 3.45Å; R22-D144 PolarHBondContact NH2-OD2 3.26Å; V104-D144 HydrophobicContact CG1-CB 3.5Å; V105-D144 PolarHBondContact O-N 2.67Å; K139-D144 IonicContact NZ-OD1 2.73Å; K139-D144 PolarHBondContact NZ-OD1 3.13Å; D144-I183 WeakPolarHBondContact O-CA 3.37Å; D144-V184 PolarHBondContact O-N 3.48Å
145F99Very high98.6Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-139162.2175.573.3-81.5000111.6I23 I30 I78 V104 V105 G106 I107 V184 I186I23-F145 HydrophobicContact CD1-CB 3.81Å; I23-F145 HydrophobicContact CD1-CD1 3.64Å; I23-F145 HydrophobicContact CD1-CD2 4.28Å; I23-F145 HydrophobicContact CD1-CE1 4.18Å; I23-F145 HydrophobicContact CD1-CG 3.68Å; I23-F145 HydrophobicContact CG1-CD1 4.35Å; I23-F145 HydrophobicContact CG1-CE1 4.5Å; I30-F145 HydrophobicContact CD1-CE2 4.45Å; I30-F145 HydrophobicContact CG2-CZ 4.47Å; I78-F145 HydrophobicContact CD1-CE2 4.45Å; I78-F145 HydrophobicContact CG1-CE2 3.56Å; I78-F145 HydrophobicContact CG1-CZ 4Å; V104-F145 HydrophobicContact CB-CD1 4.25Å; V104-F145 HydrophobicContact CB-CE1 4.09Å; V104-F145 HydrophobicContact CG1-CD1 3.61Å; V104-F145 HydrophobicContact CG1-CE1 3.93Å; V104-F145 WeakPolarHBondContact O-CE1 3.38Å; V105-F145 VanDerWaalsContact O-CD1 3.24Å; V105-F145 WeakPolarHBondContact O-CD1 3.48Å; V105-F145 PolarHBondContact O-N 2.67Å; G106-F145 CarbonylContact C-O 3.6Å; G106-F145 VanDerWaalsContact CA-CD1 3.43Å; G106-F145 WeakPolarHBondContact CA-O 3.35Å; I107-F145 PolarHBondContact N-O 3Å; F145-V184 CarbonylContact C-O 3.54Å; F145-V184 WeakPolarHBondContact CA-O 3.14Å; F145-V184 HydrophobicContact CB-CB 3.88Å; F145-V184 HydrophobicContact CB-CG1 4.44Å; F145-V184 VanDerWaalsContact CB-O 3.22Å; F145-V184 WeakPolarHBondContact CB-O 3.29Å; F145-I186 HydrophobicContact CD2-CD1 3.48Å; F145-I186 VanDerWaalsContact CD2-CD1 3.48Å; F145-I186 HydrophobicContact CD2-CG1 3.89Å; F145-I186 HydrophobicContact CE2-CD1 3.5Å; F145-I186 VanDerWaalsContact CE2-CD1 3.5Å; F145-I186 HydrophobicContact CE2-CG1 4.4Å
146A99Very high98.4Very high0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-128.9164.7178.800000111.5I107 V109 Y174 I183 V184 I186I107-A146 HydrophobicContact CG2-CB 4.35Å; I107-A146 CarbonylContact O-C 3.53Å; I107-A146 WeakPolarHBondContact O-CA 3.44Å; V109-A146 HydrophobicContact CG1-CB 4.08Å; V109-A146 HydrophobicContact CG2-CB 4.09Å; A146-Y174 HydrophobicContact CB-CE2 3.97Å; A146-Y174 WeakPolarHBondContact CB-OH 3.45Å; A146-Y174 PolarHBondContact O-OH 3.25Å; A146-I183 HydrophobicContact CB-CG2 3.51Å; A146-V184 PolarHBondContact N-O 2.99Å; A146-I186 VanDerWaalsContact O-CB 3.25Å; A146-I186 WeakPolarHBondContact O-CB 3.43Å; A146-I186 WeakPolarHBondContact O-CG1 3.18Å; A146-I186 PolarHBondContact O-N 3.45Å
147K98.9Very high98.2Very high10 Ų1042.5 Ų42.54%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-129.1138.1173.2-161.5-148.483.41690110.5D34 I78 I107 V109 Y174 I186 E188D34-K147 WeakPolarHBondContact OD2-CD 3.33Å; D34-K147 WeakPolarHBondContact OD2-CE 3.4Å; D34-K147 IonicContact OD2-NZ 3.28Å; D34-K147 PolarHBondContact OD2-NZ 2.72Å; I78-K147 HydrophobicContact CD1-CB 4.31Å; I78-K147 HydrophobicContact CD1-CD 3.91Å; I78-K147 HydrophobicContact CD1-CG 4.12Å; I78-K147 HydrophobicContact CG2-CB 3.88Å; I78-K147 HydrophobicContact CG2-CD 4.37Å; I107-K147 PolarHBondContact O-N 3.1Å; V109-K147 PolarHBondContact N-O 3.36Å; K147-Y174 WeakPolarHBondContact CA-OH 3.19Å; K147-Y174 PolarHBondContact N-OH 2.86Å; K147-I186 HydrophobicContact CG-CB 4.43Å; K147-I186 HydrophobicContact CG-CG2 4.46Å; K147-E188 WeakPolarHBondContact CD-OE2 3.47Å; K147-E188 WeakPolarHBondContact CE-OE2 3.48Å; K147-E188 WeakPolarHBondContact CG-OE2 3.5Å; K147-E188 IonicContact NZ-OE2 2.76Å; K147-E188 PolarHBondContact NZ-OE2 3.31Å
148W98.8Very high98.2Very high0 Ų038.7 Ų38.70%018%0.179CC..EExtended strand (participates in β ladder)trans-137.9121.6171.9-176.3-69.2000110.3V109 D110 T125 Q126 G127 L128 L131 V170 L171 Y174 I186 E188V109-W148 HydrophobicContact CG2-CE3 4.08Å; D110-W148 HydrophobicContact CB-CB 4.47Å; D110-W148 HydrophobicContact CB-CD2 3.59Å; D110-W148 HydrophobicContact CB-CE3 3.8Å; D110-W148 HydrophobicContact CB-CG 3.9Å; D110-W148 HydrophobicContact CB-CZ2 4.43Å; D110-W148 HydrophobicContact CB-CZ3 4.31Å; T125-W148 HydrophobicContact CG2-CD2 4.38Å; T125-W148 VanDerWaalsContact CG2-CE2 3.49Å; T125-W148 HydrophobicContact CG2-CZ2 3.74Å; T125-W148 WeakPolarHBondContact O-CZ2 3.45Å; Q126-W148 VanDerWaalsContact C-CH2 3.42Å; Q126-W148 WeakPolarHBondContact O-CH2 3.44Å; Q126-W148 WeakPolarHBondContact O-CZ2 3.48Å; G127-W148 VanDerWaalsContact C-CH2 3.42Å; G127-W148 VanDerWaalsContact CA-CH2 3.42Å; L128-W148 HydrophobicContact CD2-CH2 3.7Å; L128-W148 HydrophobicContact CD2-CZ2 4.37Å; L128-W148 HydrophobicContact CD2-CZ3 3.98Å; L128-W148 HydrophobicContact CG-CH2 3.95Å; L131-W148 HydrophobicContact CD2-CZ3 4.15Å; W148-V170 HydrophobicContact CH2-CG2 4.49Å; W148-V170 HydrophobicContact CZ2-CG2 3.73Å; W148-L171 HydrophobicContact CB-CD2 4.37Å; W148-L171 HydrophobicContact CG-CD2 4.25Å; W148-Y174 HydrophobicContact CB-CD1 3.48Å; W148-Y174 VanDerWaalsContact CB-CD1 3.48Å; W148-Y174 HydrophobicContact CB-CD2 3.77Å; W148-Y174 HydrophobicContact CB-CE1 3.42Å; W148-Y174 VanDerWaalsContact CB-CE1 3.42Å; W148-Y174 HydrophobicContact CB-CE2 3.72Å; W148-Y174 HydrophobicContact CB-CG 3.64Å; W148-Y174 HydrophobicContact CD2-CD1 4.49Å; W148-Y174 HydrophobicContact CD2-CD2 4.09Å; W148-Y174 AromaticContact CD2-CG 3.91Å; W148-Y174 HydrophobicContact CD2-CG 3.91Å; W148-Y174 AromaticContact CE3-CD2 3.56Å; W148-Y174 HydrophobicContact CE3-CD2 3.56Å; W148-Y174 HydrophobicContact CE3-CE2 4.34Å; W148-Y174 AromaticContact CE3-CG 3.78Å; W148-Y174 HydrophobicContact CE3-CG 3.78Å; W148-Y174 HydrophobicContact CG-CD1 4Å; W148-Y174 HydrophobicContact CG-CD2 4.23Å; W148-Y174 HydrophobicContact CG-CE1 4.41Å; W148-Y174 AromaticContact CG-CG 3.89Å; W148-Y174 HydrophobicContact CG-CG 3.89Å; W148-Y174 HydrophobicContact CZ3-CD2 4.41Å; W148-I186 PolarHBondContact N-O 2.96Å; W148-E188 WeakPolarHBondContact O-CB 3.38Å; W148-E188 PolarHBondContact O-N 3.26Å
149R98.7Very high98.2Very high14 Ų1439.1 Ų39.15%0.05318%0.183CC..EExtended strand (participates in β ladder)trans-101.4120.7-176.2-176.2163.8177.2-87.57.5112.7D110 T125 V151 E188 E190 H362 A363 Y364D110-R149 PolarHBondContact OD2-N 2.93Å; D110-R149 VanDerWaalsContact OD2-N 3.17Å; T125-R149 WeakPolarHBondContact CB-O 3.35Å; T125-R149 VanDerWaalsContact CG2-O 3.23Å; T125-R149 WeakPolarHBondContact CG2-O 3.44Å; T125-R149 PolarHBondContact OG1-O 3.46Å; R149-V151 HydrophobicContact CG-CG2 4.24Å; R149-E188 HydrophobicContact CB-CG 4.23Å; R149-E188 WeakPolarHBondContact CB-OE2 3.36Å; R149-E188 HydrophobicContact CG-CG 4Å; R149-E188 IonicContact NE-OE1 3.55Å; R149-E190 IonicContact CZ-OE1 3.35Å; R149-E190 IonicContact CZ-OE2 3.94Å; R149-E190 IonicContact NE-OE2 3.48Å; R149-E190 PolarHBondContact NE-OE2 3.04Å; R149-E190 IonicContact NH2-OE1 2.96Å; R149-E190 PolarHBondContact NH2-OE1 2.97Å; R149-E190 IonicContact NH2-OE2 2.71Å; R149-E190 PolarHBondContact NH2-OE2 3.09Å; R149-H362 PolarHBondContact NH2-O 2.82Å; R149-A363 PolarHBondContact NH1-O 2.86Å; R149-Y364 HydrophobicContact CB-CE1 4.49Å; R149-Y364 PolarHBondContact O-OH 3.11Å
150C98.8Very high98.2Very high0 Ų038.2 Ų38.20%018%0.183CC..EExtended strand (participates in β ladder)trans-100.7150163.4-72.40000109.8N167 L171 E188 E190C150-N167 HydrophobicContact CB-CB 3.94Å; C150-N167 WeakPolarHBondContact CB-OD1 3.4Å; C150-N167 PolarHBondContact SG-OD1 3.09Å; C150-N167 VanDerWaalsContact SG-OD1 3.33Å; C150-L171 HydrophobicContact CB-CD1 4.08Å; C150-L171 HydrophobicContact CB-CG 4.34Å; C150-L171 VanDerWaalsContact SG-CG 3.58Å; C150-E188 PolarHBondContact N-O 3.19Å; C150-E190 PolarHBondContact O-N 3.23Å
151V98.6Very high98.2Very high7 Ų734.4 Ų34.44%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-128.2125.1-175.7-1740000109.7V113 T123 R149 E190 L192V113-V151 HydrophobicContact CG1-CB 4.06Å; V113-V151 HydrophobicContact CG1-CG2 3.8Å; T123-V151 PolarHBondContact OG1-O 3.15Å; R149-V151 HydrophobicContact CG-CG2 4.24Å; V151-E190 WeakPolarHBondContact CA-O 3.41Å; V151-L192 HydrophobicContact CG1-CD1 3.64Å; V151-L192 HydrophobicContact CG1-CD2 3.92Å; V151-L192 HydrophobicContact CG1-CG 3.63Å
152L98.8Very high98.2Very high5 Ų536.1 Ų36.13%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-123.6150.8177.8-65.9144.7000108.5P159 A163 I164 E190 I191 L192 V209L152-P159 HydrophobicContact CB-CB 4.39Å; L152-P159 HydrophobicContact CD2-CB 3.78Å; L152-A163 HydrophobicContact CD2-CB 4.17Å; L152-I164 HydrophobicContact CD2-CG1 4.43Å; L152-E190 PolarHBondContact N-O 3.1Å; L152-I191 HydrophobicContact CB-CG1 4.17Å; L152-I191 HydrophobicContact CD1-CG1 4.3Å; L152-I191 WeakPolarHBondContact O-CA 3.06Å; L152-L192 PolarHBondContact O-N 2.94Å; L152-V209 HydrophobicContact CD1-CB 4.43Å; L152-V209 HydrophobicContact CD1-CG1 3.56Å; L152-V209 HydrophobicContact CD1-CG2 3.93Å
153K98.2Very high98.2Very high75 Ų7535.5 Ų35.533%0.32619%0.185SC..  trans-125.5144.8-179.2-171.3170.7178.2175.60110.2T158 P159 N361K153-T158 CarbonylContact O-C 3.56Å; K153-T158 WeakPolarHBondContact O-CB 3.47Å; K153-T158 PolarHBondContact O-OG1 2.85Å; K153-P159 VanDerWaalsContact O-CD 3.23Å; K153-P159 WeakPolarHBondContact O-CD 3.32Å; K153-N361 PolarHBondContact NZ-OD1 3.17Å
154I98.5Very high98.2Very high6 Ų637 Ų373%0.03119%0.192CC..  trans-95.1125.6171.1-62.8175.1000108.2I191 H197 R201 C202 V205I154-I191 HydrophobicContact CD1-CG2 3.67Å; I154-I191 HydrophobicContact CG1-CG2 3.62Å; I154-H197 HydrophobicContact CG2-CB 3.92Å; I154-R201 HydrophobicContact CG2-CG 3.9Å; I154-C202 HydrophobicContact CD1-CB 4.24Å; I154-V205 HydrophobicContact CD1-CB 4.03Å; I154-V205 HydrophobicContact CD1-CG1 4.27Å; I154-V205 HydrophobicContact CD1-CG2 4.18Å; I154-V205 HydrophobicContact CG1-CB 4.2Å; I154-V205 HydrophobicContact CG1-CG1 4.03Å; I154-V205 HydrophobicContact CG1-CG2 4.12Å
155S96.4Very high98.2Very high38 Ų3841.2 Ų41.227%0.26621%0.214SC..SBendtrans-144.7-168.8167.678.60000109.9R157 T158 R201S155-R157 PolarHBondContact O-N 3.3Å; S155-R157 PolarHBondContact OG-N 2.97Å; S155-T158 VanDerWaalsContact CB-OG1 3.22Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact N-O 2.87Å; S155-T158 VanDerWaalsContact N-O 3.08Å; S155-T158 PolarHBondContact N-OG1 3.43Å; S155-T158 VanDerWaalsContact N-OG1 3.07Å; S155-T158 PolarHBondContact OG-N 3.46Å; S155-T158 VanDerWaalsContact OG-N 3.14Å; S155-T158 PolarHBondContact OG-OG1 3.04Å; S155-R201 PolarHBondContact O-NH2 3.37Å
156E94.2Very high98.2Very high159 Ų15944.2 Ų44.274%0.74323%0.228SC*.SBendtrans-52.8-36.6169.4-170.1-165.5-162.500111.5
157R95.1Very high98.2Very high177 Ų17744.3 Ų44.367%0.66823%0.229SC*.SBendtrans-124-4.3-169.7-56.9176.2-159.2-122.8-7.1114.6S155S155-R157 PolarHBondContact O-N 3.3Å; S155-R157 PolarHBondContact OG-N 2.97Å
158T98.6Very high98.2Very high4 Ų444 Ų443%0.02523%0.228CC..  trans-118.5152.1-178.864.20000111.1D120 E122 K153 S155D120-T158 HydrophobicContact CB-CG2 4.22Å; E122-T158 HydrophobicContact CG-CG2 3.61Å; K153-T158 CarbonylContact O-C 3.56Å; K153-T158 WeakPolarHBondContact O-CB 3.47Å; K153-T158 PolarHBondContact O-OG1 2.85Å; S155-T158 VanDerWaalsContact CB-OG1 3.22Å; S155-T158 WeakPolarHBondContact CB-OG1 3.46Å; S155-T158 PolarHBondContact N-O 2.87Å; S155-T158 VanDerWaalsContact N-O 3.08Å; S155-T158 PolarHBondContact N-OG1 3.43Å; S155-T158 VanDerWaalsContact N-OG1 3.07Å; S155-T158 PolarHBondContact OG-N 3.46Å; S155-T158 VanDerWaalsContact OG-N 3.14Å; S155-T158 PolarHBondContact OG-OG1 3.04Å
159P98.7Very high98.2Very high19 Ų1947 Ų4712%0.12324%0.244CC..SBendcis-76.8135.7-0.627.9-29.2000112.4E122 L152 K153 I164 V205 V209E122-P159 WeakPolarHBondContact OE1-CA 3.35Å; L152-P159 HydrophobicContact CB-CB 4.39Å; L152-P159 HydrophobicContact CD2-CB 3.78Å; K153-P159 VanDerWaalsContact O-CD 3.23Å; K153-P159 WeakPolarHBondContact O-CD 3.32Å; P159-I164 HydrophobicContact CB-CD1 4.37Å; P159-I164 HydrophobicContact CB-CG1 3.98Å; P159-I164 HydrophobicContact CG-CD1 4.15Å; P159-I164 HydrophobicContact CG-CG1 4.18Å; P159-V205 HydrophobicContact CG-CG1 3.44Å; P159-V205 VanDerWaalsContact CG-CG1 3.44Å; P159-V209 HydrophobicContact CG-CG2 4.39Å
160S98.6Very high98.2Very high29 Ų2946.7 Ų46.720%0.20324%0.244CC..  trans-73.4163.5179.772.70000111.9E122 L162 A163 I164E122-S160 PolarHBondContact OE1-N 3.19Å; E122-S160 WeakPolarHBondContact OE2-CB 3.37Å; E122-S160 PolarHBondContact OE2-OG 2.67Å; S160-L162 PolarHBondContact O-N 2.62Å; S160-L162 PolarHBondContact OG-N 3.46Å; S160-A163 PolarHBondContact O-N 2.98Å; S160-A163 PolarHBondContact OG-N 2.92Å; S160-A163 VanDerWaalsContact OG-N 3.17Å; S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 3.29Å
161A98.6Very high98.2Very high85 Ų8546.7 Ų46.770%0.70224%0.244SC*.Hα-helixtrans-57.3-36.6173.700000112.2L165A161-L165 VanDerWaalsContact O-CB 3.3Å; A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 PolarHBondContact O-N 2.64Å; A161-L165 VanDerWaalsContact O-N 3.08Å
162L98.8Very high98.3Very high85 Ų8546.3 Ų46.345%0.44524%0.241SC..Hα-helixtrans-64.3-50.9176.5175.259.5000111.1T119 S160 I164 L165 E166T119-L162 HydrophobicContact CG2-CD2 3.9Å; S160-L162 PolarHBondContact O-N 2.62Å; S160-L162 PolarHBondContact OG-N 3.46Å; L162-I164 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-E166 VanDerWaalsContact O-CB 3.29Å; L162-E166 WeakPolarHBondContact O-CB 3.4Å; L162-E166 PolarHBondContact O-N 3.14Å
163A98.8Very high98.3Very high1 Ų151.4 Ų51.41%0.00826%0.26CS..Hα-helixtrans-63.1-40.7-178.300000112.3L116 E122 L152 S160 N167L116-A163 HydrophobicContact CD1-CB 4.06Å; E122-A163 HydrophobicContact CB-CB 4.05Å; E122-A163 VanDerWaalsContact CD-CB 3.48Å; E122-A163 HydrophobicContact CG-CB 4.37Å; E122-A163 WeakPolarHBondContact OE1-CB 3.45Å; L152-A163 HydrophobicContact CD2-CB 4.17Å; S160-A163 PolarHBondContact O-N 2.98Å; S160-A163 PolarHBondContact OG-N 2.92Å; S160-A163 VanDerWaalsContact OG-N 3.17Å; A163-N167 WeakPolarHBondContact O-CB 3.39Å; A163-N167 PolarHBondContact O-N 2.69Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 3.16Å
164I98.9Very high98.3Very high31 Ų3147.9 Ų47.916%0.15925%0.245CC..Hα-helixtrans-62.9-49.7176.3-64174.5000110.7L152 P159 S160 L162 A168 V209 A212L152-I164 HydrophobicContact CD2-CG1 4.43Å; P159-I164 HydrophobicContact CB-CD1 4.37Å; P159-I164 HydrophobicContact CB-CG1 3.98Å; P159-I164 HydrophobicContact CG-CD1 4.15Å; P159-I164 HydrophobicContact CG-CG1 4.18Å; S160-I164 WeakPolarHBondContact O-CG1 3.48Å; S160-I164 PolarHBondContact O-N 3.29Å; L162-I164 PolarHBondContact O-N 3.36Å; I164-A168 VanDerWaalsContact O-CB 3.23Å; I164-A168 WeakPolarHBondContact O-CB 3.14Å; I164-A168 PolarHBondContact O-N 2.71Å; I164-V209 HydrophobicContact CD1-CG2 4.38Å; I164-V209 HydrophobicContact CG1-CG2 4.18Å; I164-A212 HydrophobicContact CG2-CB 3.36Å
165L98.9Very high98.3Very high121 Ų12147.6 Ų47.663%0.63424%0.243SC*.Hα-helixtrans-60.9-49.1-178.1176.965000111.7A161 L162 A168 N169A161-L165 VanDerWaalsContact O-CB 3.3Å; A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 PolarHBondContact O-N 2.64Å; A161-L165 VanDerWaalsContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 3.02Å; L165-A168 PolarHBondContact O-N 2.87Å; L165-N169 WeakPolarHBondContact O-CB 3.27Å; L165-N169 PolarHBondContact O-N 2.87Å
166E98.9Very high98.4Very high62 Ų6247.1 Ų47.129%0.2924%0.24SC..Hα-helixtrans-67.4-46-174.8173.853.6-153.700111.8L116 T124 L162 A168 N169 V170L116-E166 HydrophobicContact CD2-CG 4.1Å; T124-E166 HydrophobicContact CG2-CG 4.15Å; T124-E166 WeakPolarHBondContact OG1-CG 3.34Å; T124-E166 PolarHBondContact OG1-OE1 2.72Å; L162-E166 VanDerWaalsContact O-CB 3.29Å; L162-E166 WeakPolarHBondContact O-CB 3.4Å; L162-E166 PolarHBondContact O-N 3.14Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.77Å; E166-N169 PolarHBondContact O-N 3.04Å; E166-V170 PolarHBondContact O-N 2.93Å
167N98.9Very high98.7Very high3 Ų340.9 Ų40.92%0.01621%0.212CC..Hα-helixtrans-66-37177.6-75.8-85000112.1T123 C150 A163 V170 L171T123-N167 PolarHBondContact O-ND2 3.4Å; C150-N167 HydrophobicContact CB-CB 3.94Å; C150-N167 WeakPolarHBondContact CB-OD1 3.4Å; C150-N167 PolarHBondContact SG-OD1 3.09Å; C150-N167 VanDerWaalsContact SG-OD1 3.33Å; A163-N167 WeakPolarHBondContact O-CB 3.39Å; A163-N167 PolarHBondContact O-N 2.69Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 3.16Å; N167-V170 WeakPolarHBondContact O-CG1 3.25Å; N167-L171 WeakPolarHBondContact O-CB 3.25Å; N167-L171 WeakPolarHBondContact O-CD1 3.36Å; N167-L171 VanDerWaalsContact O-CG 3.27Å; N167-L171 WeakPolarHBondContact O-CG 3.25Å; N167-L171 PolarHBondContact O-N 2.89Å; N167-L171 VanDerWaalsContact O-N 3.13Å
168A98.9Very high98.9Very high4 Ų432.4 Ų32.43%0.03318%0.18CC..Hα-helixtrans-63.4-43.8173.700000111.6I164 L165 E166 A172 A212 V213 A216I164-A168 VanDerWaalsContact O-CB 3.23Å; I164-A168 WeakPolarHBondContact O-CB 3.14Å; I164-A168 PolarHBondContact O-N 2.71Å; L165-A168 PolarHBondContact O-N 2.87Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.77Å; A168-A172 PolarHBondContact O-N 3.4Å; A168-A172 VanDerWaalsContact O-N 3.1Å; A168-A212 HydrophobicContact CB-CB 4.25Å; A168-V213 HydrophobicContact CB-CG2 4.21Å; A168-A216 HydrophobicContact CB-CB 3.91Å; A168-A216 WeakPolarHBondContact O-CB 3.15Å
169N99Very high98.9Very high62 Ų6232.5 Ų32.533%0.33218%0.18SC..Hα-helixtrans-65.7-44.9179.9-175.464.9000112.3L165 E166 L171 A172 R173 H220L165-N169 WeakPolarHBondContact O-CB 3.27Å; L165-N169 PolarHBondContact O-N 2.87Å; E166-N169 PolarHBondContact O-N 3.04Å; N169-L171 PolarHBondContact O-N 2.77Å; N169-A172 PolarHBondContact O-N 2.86Å; N169-R173 WeakPolarHBondContact O-CG 3.25Å; N169-R173 PolarHBondContact O-N 3.43Å; N169-H220 PolarHBondContact OD1-NE2 2.83Å
170V98.9Very high98.9Very high7 Ų735.8 Ų35.84%0.04219%0.194CC..Hα-helixtrans-67.2-36.8179.475.10000112.2T125 L128 W148 E166 N167 A172 R173 Y174T125-V170 WeakPolarHBondContact O-CG2 3.45Å; L128-V170 HydrophobicContact CD1-CG2 3.95Å; L128-V170 HydrophobicContact CD2-CG2 4.39Å; L128-V170 HydrophobicContact CG-CG2 4.12Å; W148-V170 HydrophobicContact CH2-CG2 4.49Å; W148-V170 HydrophobicContact CZ2-CG2 3.73Å; E166-V170 PolarHBondContact O-N 2.93Å; N167-V170 WeakPolarHBondContact O-CG1 3.25Å; V170-A172 VanDerWaalsContact C-N 3.3Å; V170-A172 PolarHBondContact O-N 3.37Å; V170-R173 PolarHBondContact O-N 3.19Å; V170-Y174 WeakPolarHBondContact O-CB 3.35Å; V170-Y174 PolarHBondContact O-N 2.98Å
171L98.9Very high98.9Very high0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-61.2-40.4172.4-77.2168000111.6W148 C150 N167 N169 Y174 A175 V187 P189 V213W148-L171 HydrophobicContact CB-CD2 4.37Å; W148-L171 HydrophobicContact CG-CD2 4.25Å; C150-L171 HydrophobicContact CB-CD1 4.08Å; C150-L171 HydrophobicContact CB-CG 4.34Å; C150-L171 VanDerWaalsContact SG-CG 3.58Å; N167-L171 WeakPolarHBondContact O-CB 3.25Å; N167-L171 WeakPolarHBondContact O-CD1 3.36Å; N167-L171 VanDerWaalsContact O-CG 3.27Å; N167-L171 WeakPolarHBondContact O-CG 3.25Å; N167-L171 PolarHBondContact O-N 2.89Å; N167-L171 VanDerWaalsContact O-N 3.13Å; N169-L171 PolarHBondContact O-N 2.77Å; L171-Y174 HydrophobicContact CD2-CD1 4.49Å; L171-Y174 WeakPolarHBondContact O-CD1 3.47Å; L171-Y174 PolarHBondContact O-N 3.35Å; L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.35Å; L171-A175 PolarHBondContact O-N 2.81Å; L171-V187 HydrophobicContact CB-CG1 4.16Å; L171-V187 HydrophobicContact CD1-CG1 3.93Å; L171-V187 HydrophobicContact CD2-CG1 4.1Å; L171-V187 HydrophobicContact CG-CG1 4.28Å; L171-P189 HydrophobicContact CD1-CB 3.87Å; L171-V213 HydrophobicContact CD1-CG2 4.34Å
172A98.9Very high98.9Very high0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-68.2-4017800000112.8A168 N169 V170 A175 S176 A216 L217 H220A168-A172 PolarHBondContact O-N 3.4Å; A168-A172 VanDerWaalsContact O-N 3.1Å; N169-A172 PolarHBondContact O-N 2.86Å; V170-A172 VanDerWaalsContact C-N 3.3Å; V170-A172 PolarHBondContact O-N 3.37Å; A172-A175 PolarHBondContact O-N 3.15Å; A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.97Å; A172-A216 HydrophobicContact CB-CB 3.93Å; A172-A216 WeakPolarHBondContact CB-O 3.5Å; A172-L217 HydrophobicContact CB-CD2 4.09Å; A172-H220 HydrophobicContact CB-CB 3.91Å; A172-H220 VanDerWaalsContact CB-CD2 3.5Å; A172-H220 WeakPolarHBondContact CB-CD2 3.35Å
173R98.9Very high98.9Very high112 Ų11228.3 Ų28.342%0.42314%0.142SC..Hα-helixtrans-59.8-48.7171.7-70-70.2-63.4159.3-3111.8L128 N169 V170 S176 I177 H220L128-R173 HydrophobicContact CD1-CB 3.66Å; L128-R173 HydrophobicContact CD1-CG 4.2Å; L128-R173 HydrophobicContact CD2-CB 4.11Å; N169-R173 WeakPolarHBondContact O-CG 3.25Å; N169-R173 PolarHBondContact O-N 3.43Å; V170-R173 PolarHBondContact O-N 3.19Å; R173-S176 PolarHBondContact O-N 3.38Å; R173-I177 WeakPolarHBondContact O-CG1 3.33Å; R173-I177 PolarHBondContact O-N 3.4Å; R173-I177 VanDerWaalsContact O-N 3.15Å; R173-H220 WeakPolarHBondContact CD-CE1 3.48Å
174Y98.9Very high98.9Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-57.6-49.7175.8147-102.5000111.3V109 L131 A146 K147 W148 V170 L171 S176 I177 C178 P185 I186V109-Y174 HydrophobicContact CG2-CD2 3.73Å; V109-Y174 HydrophobicContact CG2-CE2 3.35Å; L131-Y174 HydrophobicContact CD2-CD2 4.05Å; A146-Y174 HydrophobicContact CB-CE2 3.97Å; A146-Y174 WeakPolarHBondContact CB-OH 3.45Å; A146-Y174 PolarHBondContact O-OH 3.25Å; K147-Y174 WeakPolarHBondContact CA-OH 3.19Å; K147-Y174 PolarHBondContact N-OH 2.86Å; W148-Y174 HydrophobicContact CB-CD1 3.48Å; W148-Y174 VanDerWaalsContact CB-CD1 3.48Å; W148-Y174 HydrophobicContact CB-CD2 3.77Å; W148-Y174 HydrophobicContact CB-CE1 3.42Å; W148-Y174 VanDerWaalsContact CB-CE1 3.42Å; W148-Y174 HydrophobicContact CB-CE2 3.72Å; W148-Y174 HydrophobicContact CB-CG 3.64Å; W148-Y174 HydrophobicContact CD2-CD1 4.49Å; W148-Y174 HydrophobicContact CD2-CD2 4.09Å; W148-Y174 AromaticContact CD2-CG 3.91Å; W148-Y174 HydrophobicContact CD2-CG 3.91Å; W148-Y174 AromaticContact CE3-CD2 3.56Å; W148-Y174 HydrophobicContact CE3-CD2 3.56Å; W148-Y174 HydrophobicContact CE3-CE2 4.34Å; W148-Y174 AromaticContact CE3-CG 3.78Å; W148-Y174 HydrophobicContact CE3-CG 3.78Å; W148-Y174 HydrophobicContact CG-CD1 4Å; W148-Y174 HydrophobicContact CG-CD2 4.23Å; W148-Y174 HydrophobicContact CG-CE1 4.41Å; W148-Y174 AromaticContact CG-CG 3.89Å; W148-Y174 HydrophobicContact CG-CG 3.89Å; W148-Y174 HydrophobicContact CZ3-CD2 4.41Å; V170-Y174 WeakPolarHBondContact O-CB 3.35Å; V170-Y174 PolarHBondContact O-N 2.98Å; L171-Y174 HydrophobicContact CD2-CD1 4.49Å; L171-Y174 WeakPolarHBondContact O-CD1 3.47Å; L171-Y174 PolarHBondContact O-N 3.35Å; Y174-S176 PolarHBondContact O-N 3.31Å; Y174-I177 PolarHBondContact O-N 2.97Å; Y174-C178 VanDerWaalsContact CD2-SG 3.6Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.45Å; Y174-C178 PolarHBondContact O-N 2.87Å; Y174-C178 PolarHBondContact O-SG 3.08Å; Y174-P185 HydrophobicContact CD1-CB 4.34Å; Y174-P185 HydrophobicContact CE1-CB 3.54Å; Y174-P185 HydrophobicContact CE2-CB 4.46Å; Y174-P185 WeakPolarHBondContact OH-CA 3.14Å; Y174-I186 WeakPolarHBondContact CE1-O 3.45Å; Y174-I186 PolarHBondContact OH-N 3.43Å; Y174-I186 PolarHBondContact OH-O 2.94Å; Y174-I186 VanDerWaalsContact OH-O 3.11Å
175A98.9Very high98.9Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-61.8-43.4-177.500000112.1L171 A172 I177 C178 Q179 P185 V187 L217 V222L171-A175 VanDerWaalsContact O-CB 3.3Å; L171-A175 WeakPolarHBondContact O-CB 3.35Å; L171-A175 PolarHBondContact O-N 2.81Å; A172-A175 PolarHBondContact O-N 3.15Å; A175-I177 PolarHBondContact O-N 3.49Å; A175-C178 PolarHBondContact O-N 3.44Å; A175-Q179 WeakPolarHBondContact O-CG 3.2Å; A175-Q179 PolarHBondContact O-N 3.02Å; A175-P185 HydrophobicContact CB-CB 3.88Å; A175-P185 HydrophobicContact CB-CG 3.66Å; A175-V187 HydrophobicContact CB-CG2 4.38Å; A175-L217 HydrophobicContact CB-CD2 3.98Å; A175-V222 HydrophobicContact CB-CG1 4.09Å; A175-V222 HydrophobicContact CB-CG2 3.95Å
176S98.9Very high98.9Very high29 Ų2921 Ų2120%0.20310%0.104CC..Hα-helixtrans-57.2-48.9175.3-175.20000111.6A172 R173 Y174 C178 Q179 Q180A172-S176 WeakPolarHBondContact O-CB 3.32Å; A172-S176 PolarHBondContact O-N 2.97Å; R173-S176 PolarHBondContact O-N 3.38Å; Y174-S176 PolarHBondContact O-N 3.31Å; S176-C178 PolarHBondContact O-N 2.95Å; S176-Q179 PolarHBondContact O-N 3.39Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.14Å
177I98.9Very high98.9Very high27 Ų2718.1 Ų18.114%0.1389%0.091CC..Hα-helixtrans-64.4-41.1-179.9-65.8168.3000111.7L128 L131 R173 Y174 A175 Q180 N181L128-I177 HydrophobicContact CD2-CD1 4.39Å; L131-I177 HydrophobicContact CB-CD1 4.45Å; L131-I177 HydrophobicContact CB-CG2 4.09Å; L131-I177 HydrophobicContact CD2-CB 4.11Å; L131-I177 HydrophobicContact CD2-CD1 4.16Å; L131-I177 HydrophobicContact CD2-CG2 3.99Å; L131-I177 HydrophobicContact CG-CB 4.44Å; L131-I177 HydrophobicContact CG-CG2 3.77Å; R173-I177 WeakPolarHBondContact O-CG1 3.33Å; R173-I177 PolarHBondContact O-N 3.4Å; R173-I177 VanDerWaalsContact O-N 3.15Å; Y174-I177 PolarHBondContact O-N 2.97Å; A175-I177 PolarHBondContact O-N 3.49Å; I177-Q180 PolarHBondContact O-N 3.04Å; I177-N181 PolarHBondContact O-ND2 3.12Å
178C98.9Very high98.9Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-59.9-47.3175.9-75.30000111.9Y174 A175 S176 Q180 N181 G182 I183 P185Y174-C178 VanDerWaalsContact CD2-SG 3.6Å; Y174-C178 WeakPolarHBondContact CE2-SG 3.45Å; Y174-C178 PolarHBondContact O-N 2.87Å; Y174-C178 PolarHBondContact O-SG 3.08Å; A175-C178 PolarHBondContact O-N 3.44Å; S176-C178 PolarHBondContact O-N 2.95Å; C178-Q180 VanDerWaalsContact C-N 3.3Å; C178-Q180 PolarHBondContact O-N 3.18Å; C178-N181 CarbonylContact O-C 3.19Å; C178-N181 PolarHBondContact O-N 3.48Å; C178-G182 PolarHBondContact O-N 2.85Å; C178-I183 CarbonylContact C-O 3.59Å; C178-I183 HydrophobicContact CB-CB 4.08Å; C178-I183 HydrophobicContact CB-CG2 4.01Å; C178-I183 WeakPolarHBondContact CB-O 3.44Å; C178-I183 WeakPolarHBondContact O-CB 3.42Å; C178-I183 PolarHBondContact O-N 2.66Å; C178-P185 HydrophobicContact CB-CB 3.97Å; C178-P185 HydrophobicContact CB-CG 4.3Å
179Q98.9Very high98.9Very high5 Ų518.1 Ų18.12%0.0239%0.09CC..Hα-helixtrans-63.4-35.2-177.9-71-171.2-22.800112.8L8 L16 A175 S176 N181 G182 I183 P185 Y223 G226L8-Q179 HydrophobicContact CD1-CB 4.24Å; L8-Q179 HydrophobicContact CD2-CB 4.3Å; L16-Q179 HydrophobicContact CD1-CB 3.88Å; L16-Q179 HydrophobicContact CD1-CG 3.88Å; A175-Q179 WeakPolarHBondContact O-CG 3.2Å; A175-Q179 PolarHBondContact O-N 3.02Å; S176-Q179 PolarHBondContact O-N 3.39Å; Q179-N181 PolarHBondContact O-N 3.46Å; Q179-G182 PolarHBondContact O-N 3.38Å; Q179-I183 PolarHBondContact N-O 2.53Å; Q179-P185 HydrophobicContact CG-CG 4.17Å; Q179-Y223 PolarHBondContact NE2-O 2.48Å; Q179-G226 PolarHBondContact NE2-O 3.47Å; Q179-G226 VanDerWaalsContact NE2-O 3.1Å
180Q98.9Very high98.9Very high89 Ų8915.6 Ų15.642%0.4168%0.076SC..Hα-helixtrans-61.4-22.2173.7-69.4-55.2-65.400113.6A7 S176 I177 C178A7-Q180 PolarHBondContact O-NE2 3.43Å; S176-Q180 WeakPolarHBondContact O-CG 3.39Å; S176-Q180 PolarHBondContact O-N 3.14Å; I177-Q180 PolarHBondContact O-N 3.04Å; C178-Q180 VanDerWaalsContact C-N 3.3Å; C178-Q180 PolarHBondContact O-N 3.18Å
181N98.9Very high98.9Very high31 Ų3115.5 Ų15.517%0.1668%0.076CC..THydrogen-bonded Turntrans-108.216.5-177.6-68.4-82.8000112.7S132 C135 I177 C178 Q179 I183S132-N181 PolarHBondContact O-OD1 3.46Å; S132-N181 PolarHBondContact OG-ND2 3.21Å; C135-N181 HydrophobicContact CB-CB 3.65Å; I177-N181 PolarHBondContact O-ND2 3.12Å; C178-N181 CarbonylContact O-C 3.19Å; C178-N181 PolarHBondContact O-N 3.48Å; Q179-N181 PolarHBondContact O-N 3.46Å; N181-I183 VanDerWaalsContact C-N 3.26Å; N181-I183 PolarHBondContact O-N 3.05Å
182G98.8Very high98.8Very high10 Ų1016 Ų1610%0.1038%0.078CC..THydrogen-bonded Turntrans68.223.9179.400000113.9K139 C178 Q179K139-G182 WeakPolarHBondContact CE-O 3.41Å; K139-G182 PolarHBondContact NZ-O 2.94Å; C178-G182 PolarHBondContact O-N 2.85Å; Q179-G182 PolarHBondContact O-N 3.38Å
183I99Very high98.7Very high0 Ų017.2 Ų17.20%09%0.086CC..  trans-108.6126.9179.4-64.8-69000109.2C135 K139 A143 D144 A146 C178 Q179 N181 P185C135-I183 HydrophobicContact CB-CG1 4.39Å; K139-I183 HydrophobicContact CB-CD1 3.97Å; K139-I183 HydrophobicContact CB-CG1 4.33Å; K139-I183 HydrophobicContact CD-CD1 3.76Å; K139-I183 HydrophobicContact CD-CG1 4.43Å; K139-I183 HydrophobicContact CG-CD1 4.43Å; A143-I183 WeakPolarHBondContact O-CD1 3.21Å; D144-I183 WeakPolarHBondContact O-CA 3.37Å; A146-I183 HydrophobicContact CB-CG2 3.51Å; C178-I183 CarbonylContact C-O 3.59Å; C178-I183 HydrophobicContact CB-CB 4.08Å; C178-I183 HydrophobicContact CB-CG2 4.01Å; C178-I183 WeakPolarHBondContact CB-O 3.44Å; C178-I183 WeakPolarHBondContact O-CB 3.42Å; C178-I183 PolarHBondContact O-N 2.66Å; Q179-I183 PolarHBondContact N-O 2.53Å; N181-I183 VanDerWaalsContact C-N 3.26Å; N181-I183 PolarHBondContact O-N 3.05Å; I183-P185 VanDerWaalsContact O-CD 3.26Å; I183-P185 WeakPolarHBondContact O-CD 3.47Å
184V99Very high98.6Very high0 Ų012.3 Ų12.30%07%0.068CC..EExtended strand (participates in β ladder)trans-73.7118.2173.2171.80000110.1L16 I19 A20 D144 F145 A146 L228L16-V184 HydrophobicContact CB-CG2 4.24Å; L16-V184 HydrophobicContact CD2-CG2 3.88Å; L16-V184 WeakPolarHBondContact O-CG2 3.39Å; I19-V184 HydrophobicContact CB-CG2 3.64Å; I19-V184 HydrophobicContact CD1-CG2 4.43Å; I19-V184 HydrophobicContact CG2-CB 4.08Å; I19-V184 HydrophobicContact CG2-CG2 3.49Å; I19-V184 VanDerWaalsContact CG2-CG2 3.49Å; A20-V184 HydrophobicContact CB-CG1 4.02Å; A20-V184 HydrophobicContact CB-CG2 4.31Å; D144-V184 PolarHBondContact O-N 3.48Å; F145-V184 CarbonylContact C-O 3.54Å; F145-V184 WeakPolarHBondContact CA-O 3.14Å; F145-V184 HydrophobicContact CB-CB 3.88Å; F145-V184 HydrophobicContact CB-CG1 4.44Å; F145-V184 VanDerWaalsContact CB-O 3.22Å; F145-V184 WeakPolarHBondContact CB-O 3.29Å; A146-V184 PolarHBondContact N-O 2.99Å; V184-L228 HydrophobicContact CG1-CG 4.47Å
185P99Very high98.5Very high0 Ų013.8 Ų13.80%08%0.083CC..EExtended strand (participates in β ladder)trans-80.5123.5175.431.1-33.9000111.7Y174 A175 C178 Q179 I183 G226 T227 L228Y174-P185 HydrophobicContact CD1-CB 4.34Å; Y174-P185 HydrophobicContact CE1-CB 3.54Å; Y174-P185 HydrophobicContact CE2-CB 4.46Å; Y174-P185 WeakPolarHBondContact OH-CA 3.14Å; A175-P185 HydrophobicContact CB-CB 3.88Å; A175-P185 HydrophobicContact CB-CG 3.66Å; C178-P185 HydrophobicContact CB-CB 3.97Å; C178-P185 HydrophobicContact CB-CG 4.3Å; Q179-P185 HydrophobicContact CG-CG 4.17Å; I183-P185 VanDerWaalsContact O-CD 3.26Å; I183-P185 WeakPolarHBondContact O-CD 3.47Å; P185-G226 WeakPolarHBondContact CD-O 3.19Å; P185-T227 HydrophobicContact CG-CG2 3.99Å; P185-L228 PolarHBondContact O-N 2.81Å; P185-L228 VanDerWaalsContact O-N 3.14Å
186I99Very high98.4Very high0 Ų019.5 Ų19.50%011%0.114CC..EExtended strand (participates in β ladder)trans-80.8118.3157.8-57.2-173.7000107.9I30 I78 F145 A146 K147 W148 Y174 L228 K230I30-I186 HydrophobicContact CD1-CD1 3.57Å; I78-I186 HydrophobicContact CD1-CD1 4.35Å; F145-I186 HydrophobicContact CD2-CD1 3.48Å; F145-I186 VanDerWaalsContact CD2-CD1 3.48Å; F145-I186 HydrophobicContact CD2-CG1 3.89Å; F145-I186 HydrophobicContact CE2-CD1 3.5Å; F145-I186 VanDerWaalsContact CE2-CD1 3.5Å; F145-I186 HydrophobicContact CE2-CG1 4.4Å; A146-I186 VanDerWaalsContact O-CB 3.25Å; A146-I186 WeakPolarHBondContact O-CB 3.43Å; A146-I186 WeakPolarHBondContact O-CG1 3.18Å; A146-I186 PolarHBondContact O-N 3.45Å; K147-I186 HydrophobicContact CG-CB 4.43Å; K147-I186 HydrophobicContact CG-CG2 4.46Å; W148-I186 PolarHBondContact N-O 2.96Å; Y174-I186 WeakPolarHBondContact CE1-O 3.45Å; Y174-I186 PolarHBondContact OH-N 3.43Å; Y174-I186 PolarHBondContact OH-O 2.94Å; Y174-I186 VanDerWaalsContact OH-O 3.11Å; I186-L228 WeakPolarHBondContact CA-O 3.37Å; I186-L228 HydrophobicContact CD1-CD1 4.42Å; I186-L228 HydrophobicContact CG1-CB 4.13Å; I186-L228 HydrophobicContact CG1-CD1 4.26Å; I186-K230 HydrophobicContact CG2-CB 3.42Å; I186-K230 VanDerWaalsContact CG2-CB 3.42Å; I186-K230 HydrophobicContact CG2-CD 4.19Å; I186-K230 HydrophobicContact CG2-CG 4.45Å
187V99Very high98.4Very high2 Ų219 Ų191%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-93.5109.5179.4175.70000108.2L171 A175 P189 V213 L217 L228 L229 K230L171-V187 HydrophobicContact CB-CG1 4.16Å; L171-V187 HydrophobicContact CD1-CG1 3.93Å; L171-V187 HydrophobicContact CD2-CG1 4.1Å; L171-V187 HydrophobicContact CG-CG1 4.28Å; A175-V187 HydrophobicContact CB-CG2 4.38Å; V187-P189 VanDerWaalsContact C-CD 3.49Å; V187-P189 WeakPolarHBondContact O-CD 3.27Å; V187-V213 HydrophobicContact CG1-CG1 3.84Å; V187-L217 HydrophobicContact CG2-CD2 4.33Å; V187-L228 PolarHBondContact N-O 3.13Å; V187-L229 HydrophobicContact CG1-CD1 4.42Å; V187-K230 PolarHBondContact O-N 3.22Å
188E98.9Very high98.4Very high5 Ų520.4 Ų20.42%0.02312%0.116CC..EExtended strand (participates in β ladder)trans-114.385.7-175179.9175.3-157.900111.8K147 W148 R149 C150 E190 K230 L271K147-E188 WeakPolarHBondContact CD-OE2 3.47Å; K147-E188 WeakPolarHBondContact CE-OE2 3.48Å; K147-E188 WeakPolarHBondContact CG-OE2 3.5Å; K147-E188 IonicContact NZ-OE2 2.76Å; K147-E188 PolarHBondContact NZ-OE2 3.31Å; W148-E188 WeakPolarHBondContact O-CB 3.38Å; W148-E188 PolarHBondContact O-N 3.26Å; R149-E188 HydrophobicContact CB-CG 4.23Å; R149-E188 WeakPolarHBondContact CB-OE2 3.36Å; R149-E188 HydrophobicContact CG-CG 4Å; R149-E188 IonicContact NE-OE1 3.55Å; C150-E188 PolarHBondContact N-O 3.19Å; E188-E190 PolarHBondContact O-N 3.33Å; E188-K230 WeakPolarHBondContact CA-O 3.27Å; E188-K230 HydrophobicContact CB-CB 3.99Å; E188-K230 HydrophobicContact CB-CD 4.34Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.22Å; E188-K230 HydrophobicContact CG-CD 4.06Å; E188-K230 HydrophobicContact CG-CG 3.85Å; E188-K230 WeakPolarHBondContact OE1-CE 3.13Å; E188-K230 IonicContact OE1-NZ 3.37Å; E188-L271 HydrophobicContact CG-CD2 4.15Å
189P98.8Very high98.4Very high2 Ų220.9 Ų20.91%0.01312%0.119CC..EExtended strand (participates in β ladder)trans-88.375.3171.435-32.8000110.2L171 V187 I191 V209 L210 V213 L229L171-P189 HydrophobicContact CD1-CB 3.87Å; V187-P189 VanDerWaalsContact C-CD 3.49Å; V187-P189 WeakPolarHBondContact O-CD 3.27Å; P189-I191 PolarHBondContact O-N 3.24Å; P189-V209 HydrophobicContact CB-CG1 4.04Å; P189-L210 HydrophobicContact CG-CD2 3.88Å; P189-V213 HydrophobicContact CB-CG2 4.04Å; P189-V213 HydrophobicContact CG-CG2 4.22Å; P189-L229 HydrophobicContact CG-CD1 4.1Å
190E98.8Very high98.3Very high9 Ų928 Ų284%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-71121.4-177.3-178.3171.4155.100111.3R149 C150 V151 L152 E188 L192 L271R149-E190 IonicContact CZ-OE1 3.35Å; R149-E190 IonicContact CZ-OE2 3.94Å; R149-E190 IonicContact NE-OE2 3.48Å; R149-E190 PolarHBondContact NE-OE2 3.04Å; R149-E190 IonicContact NH2-OE1 2.96Å; R149-E190 PolarHBondContact NH2-OE1 2.97Å; R149-E190 IonicContact NH2-OE2 2.71Å; R149-E190 PolarHBondContact NH2-OE2 3.09Å; C150-E190 PolarHBondContact O-N 3.23Å; V151-E190 WeakPolarHBondContact CA-O 3.41Å; L152-E190 PolarHBondContact N-O 3.1Å; E188-E190 PolarHBondContact O-N 3.33Å; E190-L192 HydrophobicContact CG-CD2 4.38Å; E190-L192 WeakPolarHBondContact OE1-CD2 3.36Å; E190-L271 HydrophobicContact CB-CD2 3.65Å; E190-L271 HydrophobicContact CG-CD1 3.99Å; E190-L271 HydrophobicContact CG-CD2 3.61Å; E190-L271 HydrophobicContact CG-CG 4.48Å
191I98.7Very high98.3Very high5 Ų527.7 Ų27.73%0.02615%0.145CC..EExtended strand (participates in β ladder)trans-94.2118164.8-56.9156.9000107.7L152 I154 P189 V205 V209 N232L152-I191 HydrophobicContact CB-CG1 4.17Å; L152-I191 HydrophobicContact CD1-CG1 4.3Å; L152-I191 WeakPolarHBondContact O-CA 3.06Å; I154-I191 HydrophobicContact CD1-CG2 3.67Å; I154-I191 HydrophobicContact CG1-CG2 3.62Å; P189-I191 PolarHBondContact O-N 3.24Å; I191-V205 HydrophobicContact CD1-CG1 4.04Å; I191-V205 HydrophobicContact CG1-CG1 4.5Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; I191-V209 HydrophobicContact CD1-CB 4.06Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.96Å; I191-V209 HydrophobicContact CG1-CG2 4.27Å; I191-N232 VanDerWaalsContact CB-OD1 3.31Å; I191-N232 WeakPolarHBondContact CB-OD1 2.97Å; I191-N232 PolarHBondContact N-OD1 3.45Å
192L97.5Very high98.3Very high10 Ų1026.4 Ų26.45%0.05214%0.138CC..PPolyproline II helixtrans-65.6141.7-177.3-66.8180000111.5V151 L152 E190 D194V151-L192 HydrophobicContact CG1-CD1 3.64Å; V151-L192 HydrophobicContact CG1-CD2 3.92Å; V151-L192 HydrophobicContact CG1-CG 3.63Å; L152-L192 PolarHBondContact O-N 2.94Å; E190-L192 HydrophobicContact CG-CD2 4.38Å; E190-L192 WeakPolarHBondContact OE1-CD2 3.36Å; L192-D194 HydrophobicContact CB-CB 4.4Å; L192-D194 PolarHBondContact O-N 2.95Å
193P96.6Very high98.3Very high26 Ų2627.6 Ų27.617%0.16914%0.141CC..  trans-78.43.4174.534.5-35.8000112.6G195 G237 H238 Y358P193-G195 PolarHBondContact O-N 3.46Å; P193-G237 CarbonylContact O-C 3.48Å; P193-G237 VanDerWaalsContact O-CA 3.25Å; P193-G237 WeakPolarHBondContact O-CA 3.47Å; P193-H238 PolarHBondContact O-N 3.23Å; P193-Y358 HydrophobicContact CG-CD2 4.36Å; P193-Y358 HydrophobicContact CG-CE2 4.21Å
194D97.2Very high98.3Very high8 Ų833.3 Ų33.34%0.04316%0.163CC..  trans-58132.4176.6-70.3-113.2000111.9L192 H197 Y358 A360 N361L192-D194 HydrophobicContact CB-CB 4.4Å; L192-D194 PolarHBondContact O-N 2.95Å; D194-H197 PolarHBondContact O-CE1 3.28Å; D194-H197 VanDerWaalsContact O-CE1 3.23Å; D194-H197 PolarHBondContact O-ND1 2.63Å; D194-Y358 VanDerWaalsContact CG-OH 3.25Å; D194-Y358 PolarHBondContact OD1-OH 2.91Å; D194-A360 WeakPolarHBondContact OD1-CA 3.11Å; D194-N361 PolarHBondContact OD1-N 2.88Å
195G96.3Very high98.3Very high31 Ų3133.6 Ų33.632%0.3217%0.165SC..SBendtrans117.1-178176.700000113.8P193 G237 H238 A239P193-G195 PolarHBondContact O-N 3.46Å; G195-G237 CarbonylContact O-C 3.46Å; G195-G237 VanDerWaalsContact O-C 3.24Å; G195-G237 WeakPolarHBondContact O-CA 3.42Å; G195-H238 PolarHBondContact O-N 3.2Å; G195-A239 WeakPolarHBondContact O-CB 3.21Å; G195-A239 PolarHBondContact O-N 3.45Å
196D97.6Very high98.3Very high121 Ų12133.7 Ų33.765%0.64717%0.165SC*.SBendtrans-105.47.1-177.162.8-14.8000113.3A239D196-A239 HydrophobicContact CB-CB 4.28Å
197H98.5Very high98.3Very high18 Ų1835.3 Ų35.38%0.08317%0.173CC..  trans-60.5146.6-177.758.9-96.5000112.4I154 D194 R201 G237I154-H197 HydrophobicContact CG2-CB 3.92Å; D194-H197 PolarHBondContact O-CE1 3.28Å; D194-H197 VanDerWaalsContact O-CE1 3.23Å; D194-H197 PolarHBondContact O-ND1 2.63Å; H197-R201 HydrophobicContact CB-CB 4.1Å; H197-R201 HydrophobicContact CB-CG 3.85Å; H197-G237 PolarHBondContact CD2-N 2.81Å; H197-G237 WeakPolarHBondContact NE2-CA 3.37Å; H197-G237 PolarHBondContact NE2-N 3.43Å; H197-G237 PolarHBondContact O-N 3.33Å
198D98.3Very high98.3Very high56 Ų5640.2 Ų40.230%0.29919%0.194SC..  trans-79.6172.3179.677.3-8.7000112.8K200 R201 C202D198-K200 VanDerWaalsContact C-N 3.25Å; D198-K200 PolarHBondContact O-N 3.19Å; D198-K200 PolarHBondContact OD1-N 3.2Å; D198-R201 PolarHBondContact O-N 3.01Å; D198-R201 VanDerWaalsContact OD1-CB 3.23Å; D198-R201 WeakPolarHBondContact OD1-CB 3.43Å; D198-R201 PolarHBondContact OD1-N 2.95Å; D198-C202 PolarHBondContact O-N 2.94Å
199L98.5Very high98.3Very high11 Ų1140.1 Ų40.16%0.05819%0.194CC..Hα-helixtrans-58.9-37.6179.5-176.766000112.1C202 Q203 V234 Y244 E248 I249 A252L199-C202 PolarHBondContact O-N 3.21Å; L199-Q203 PolarHBondContact O-N 3.28Å; L199-V234 HydrophobicContact CD1-CG1 3.92Å; L199-V234 WeakPolarHBondContact CD1-O 3.26Å; L199-Y244 HydrophobicContact CB-CD1 4.11Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.81Å; L199-Y244 HydrophobicContact CB-CE2 3.77Å; L199-Y244 HydrophobicContact CB-CG 4.23Å; L199-Y244 HydrophobicContact CD2-CD1 3.64Å; L199-Y244 HydrophobicContact CD2-CE1 3.99Å; L199-Y244 HydrophobicContact CD2-CG 3.99Å; L199-E248 HydrophobicContact CD2-CB 4.16Å; L199-I249 HydrophobicContact CD1-CG1 4.37Å; L199-A252 HydrophobicContact CD1-CB 4.02Å; L199-A252 HydrophobicContact CD2-CB 4Å; L199-A252 HydrophobicContact CG-CB 3.95Å
200K98.5Very high98.3Very high155 Ų15540.2 Ų40.267%0.67419%0.194SC*.Hα-helixtrans-67.7-39.4-178.9-67.1179.5-178.6174.80111.6D198 Q203 Y204D198-K200 VanDerWaalsContact C-N 3.25Å; D198-K200 PolarHBondContact O-N 3.19Å; D198-K200 PolarHBondContact OD1-N 3.2Å; K200-Q203 WeakPolarHBondContact O-CB 3.41Å; K200-Q203 PolarHBondContact O-N 3.05Å; K200-Y204 WeakPolarHBondContact O-CB 3.5Å; K200-Y204 PolarHBondContact O-N 3.32Å
201R98.6Very high98.3Very high81 Ų8142.2 Ų42.231%0.30621%0.212SC..Hα-helixtrans-63.7-45175.2178.758.9174.7166.50.2111I154 S155 H197 D198 Q203 Y204 V205I154-R201 HydrophobicContact CG2-CG 3.9Å; S155-R201 PolarHBondContact O-NH2 3.37Å; H197-R201 HydrophobicContact CB-CB 4.1Å; H197-R201 HydrophobicContact CB-CG 3.85Å; D198-R201 PolarHBondContact O-N 3.01Å; D198-R201 VanDerWaalsContact OD1-CB 3.23Å; D198-R201 WeakPolarHBondContact OD1-CB 3.43Å; D198-R201 PolarHBondContact OD1-N 2.95Å; R201-Q203 VanDerWaalsContact C-N 3.32Å; R201-Q203 PolarHBondContact O-N 3.48Å; R201-Y204 PolarHBondContact O-N 3.42Å; R201-V205 WeakPolarHBondContact O-CG2 3.23Å; R201-V205 PolarHBondContact O-N 2.81Å
202C98.8Very high98.3Very high4 Ų443.3 Ų43.33%0.02722%0.222CC..Hα-helixtrans-59.9-43.4174.3-175.70000111.6I154 D198 L199 Y204 V205 T206 V234 T235I154-C202 HydrophobicContact CD1-CB 4.24Å; D198-C202 PolarHBondContact O-N 2.94Å; L199-C202 PolarHBondContact O-N 3.21Å; C202-Y204 PolarHBondContact O-N 2.93Å; C202-V205 PolarHBondContact O-N 2.99Å; C202-T206 VanDerWaalsContact O-CB 3.31Å; C202-T206 WeakPolarHBondContact O-CB 3.36Å; C202-T206 PolarHBondContact O-N 3.45Å; C202-T206 PolarHBondContact O-OG1 3.36Å; C202-V234 HydrophobicContact CB-CG1 4.19Å; C202-T235 WeakPolarHBondContact CB-O 3.3Å; C202-T235 PolarHBondContact SG-O 3.27Å
203Q98.8Very high98.4Very high35 Ų3542.9 Ų42.916%0.16422%0.22CC..Hα-helixtrans-60.2-48.5176.6-165-176.3-30.500111.5L199 K200 R201 V205 T206 E207 V234 A252 A256L199-Q203 PolarHBondContact O-N 3.28Å; K200-Q203 WeakPolarHBondContact O-CB 3.41Å; K200-Q203 PolarHBondContact O-N 3.05Å; R201-Q203 VanDerWaalsContact C-N 3.32Å; R201-Q203 PolarHBondContact O-N 3.48Å; Q203-V205 PolarHBondContact O-N 3.17Å; Q203-T206 PolarHBondContact O-N 3.45Å; Q203-E207 PolarHBondContact NE2-OE1 3.49Å; Q203-E207 WeakPolarHBondContact O-CG 3.37Å; Q203-E207 PolarHBondContact O-N 3.18Å; Q203-V234 VanDerWaalsContact CA-CG1 3.48Å; Q203-V234 HydrophobicContact CB-CG1 3.64Å; Q203-V234 HydrophobicContact CG-CG1 4.18Å; Q203-A252 HydrophobicContact CG-CB 4.5Å; Q203-A256 HydrophobicContact CG-CB 4.05Å
204Y98.8Very high98.5Very high121 Ų12142.6 Ų42.648%0.47522%0.216SC..Hα-helixtrans-57.4-49.2178.9177.3-87.4000111.6K200 R201 C202 E207 K208K200-Y204 WeakPolarHBondContact O-CB 3.5Å; K200-Y204 PolarHBondContact O-N 3.32Å; R201-Y204 PolarHBondContact O-N 3.42Å; C202-Y204 PolarHBondContact O-N 2.93Å; Y204-E207 PolarHBondContact O-N 3.19Å; Y204-K208 HydrophobicContact CD1-CG 4.3Å; Y204-K208 HydrophobicContact CE1-CG 3.86Å; Y204-K208 WeakPolarHBondContact O-CG 3.39Å; Y204-K208 PolarHBondContact O-N 3.03Å; Y204-K208 VanDerWaalsContact O-N 3.09Å; Y204-K208 WeakPolarHBondContact OH-CE 3.29Å
205V98.9Very high98.6Very high5 Ų547.9 Ų47.93%0.0324%0.238CC..Hα-helixtrans-65.8-43.1-178.9174.60000110.7I154 P159 I191 R201 C202 Q203 E207 K208 V209I154-V205 HydrophobicContact CD1-CB 4.03Å; I154-V205 HydrophobicContact CD1-CG1 4.27Å; I154-V205 HydrophobicContact CD1-CG2 4.18Å; I154-V205 HydrophobicContact CG1-CB 4.2Å; I154-V205 HydrophobicContact CG1-CG1 4.03Å; I154-V205 HydrophobicContact CG1-CG2 4.12Å; P159-V205 HydrophobicContact CG-CG1 3.44Å; P159-V205 VanDerWaalsContact CG-CG1 3.44Å; I191-V205 HydrophobicContact CD1-CG1 4.04Å; I191-V205 HydrophobicContact CG1-CG1 4.5Å; I191-V205 HydrophobicContact CG2-CG1 4.28Å; R201-V205 WeakPolarHBondContact O-CG2 3.23Å; R201-V205 PolarHBondContact O-N 2.81Å; C202-V205 PolarHBondContact O-N 2.99Å; Q203-V205 PolarHBondContact O-N 3.17Å; V205-E207 VanDerWaalsContact C-N 3.3Å; V205-E207 PolarHBondContact O-N 3.17Å; V205-K208 PolarHBondContact O-N 3.22Å; V205-K208 VanDerWaalsContact O-N 3.16Å; V205-V209 HydrophobicContact CG1-CG2 4.11Å; V205-V209 WeakPolarHBondContact O-CB 3.26Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.22Å
206T98.9Very high98.7Very high2 Ų246.9 Ų46.91%0.01223%0.227CC..Hα-helixtrans-57.3-43.9175.1-58.60000111.3C202 Q203 K208 V209 L210 N232 V234 A256C202-T206 VanDerWaalsContact O-CB 3.31Å; C202-T206 WeakPolarHBondContact O-CB 3.36Å; C202-T206 PolarHBondContact O-N 3.45Å; C202-T206 PolarHBondContact O-OG1 3.36Å; Q203-T206 PolarHBondContact O-N 3.45Å; T206-K208 PolarHBondContact O-N 2.97Å; T206-V209 PolarHBondContact O-N 3.29Å; T206-L210 HydrophobicContact CG2-CD1 3.85Å; T206-L210 HydrophobicContact CG2-CG 4.21Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.24Å; T206-L210 PolarHBondContact O-N 3.46Å; T206-N232 PolarHBondContact OG1-ND2 3.03Å; T206-V234 HydrophobicContact CG2-CG2 3.97Å; T206-A256 HydrophobicContact CG2-CB 4.16Å
207E98.9Very high98.8Very high34 Ų3441.2 Ų41.216%0.15920%0.197CC..Hα-helixtrans-61.9-42177.3-74.7177.1-162.400112.3Q203 Y204 V205 A211 A256 R259 T260Q203-E207 PolarHBondContact NE2-OE1 3.49Å; Q203-E207 WeakPolarHBondContact O-CG 3.37Å; Q203-E207 PolarHBondContact O-N 3.18Å; Y204-E207 PolarHBondContact O-N 3.19Å; V205-E207 VanDerWaalsContact C-N 3.3Å; V205-E207 PolarHBondContact O-N 3.17Å; E207-A211 VanDerWaalsContact O-CB 3.31Å; E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 3.12Å; E207-A211 VanDerWaalsContact O-N 3.11Å; E207-A256 HydrophobicContact CG-CB 3.81Å; E207-R259 VanDerWaalsContact CD-CD 3.46Å; E207-R259 WeakPolarHBondContact OE1-CD 3.18Å; E207-R259 IonicContact OE1-CZ 3.68Å; E207-R259 IonicContact OE1-NE 3.85Å; E207-R259 IonicContact OE1-NH1 3.71Å; E207-R259 PolarHBondContact OE1-NH1 3.01Å; E207-R259 WeakPolarHBondContact OE2-CD 3.13Å; E207-R259 IonicContact OE2-NH1 2.76Å; E207-R259 PolarHBondContact OE2-NH1 3.31Å; E207-T260 HydrophobicContact CB-CG2 4.26Å; E207-T260 HydrophobicContact CG-CG2 4.47Å; E207-T260 WeakPolarHBondContact O-CG2 3.32Å
208K98.8Very high98.8Very high106 Ų10644.1 Ų44.146%0.46122%0.219SC..Hα-helixtrans-69.2-42.7178.6-63.7-51.5-179.7-174.20113Y204 V205 T206 A212Y204-K208 HydrophobicContact CD1-CG 4.3Å; Y204-K208 HydrophobicContact CE1-CG 3.86Å; Y204-K208 WeakPolarHBondContact O-CG 3.39Å; Y204-K208 PolarHBondContact O-N 3.03Å; Y204-K208 VanDerWaalsContact O-N 3.09Å; Y204-K208 WeakPolarHBondContact OH-CE 3.29Å; V205-K208 PolarHBondContact O-N 3.22Å; V205-K208 VanDerWaalsContact O-N 3.16Å; T206-K208 PolarHBondContact O-N 2.97Å; K208-A212 PolarHBondContact O-N 3.36Å
209V98.9Very high98.8Very high3 Ų345.5 Ų45.52%0.01823%0.226CC..Hα-helixtrans-64-50.2178.5169.10000110.3L152 P159 I164 P189 I191 V205 T206 A211 A212 V213L152-V209 HydrophobicContact CD1-CB 4.43Å; L152-V209 HydrophobicContact CD1-CG1 3.56Å; L152-V209 HydrophobicContact CD1-CG2 3.93Å; P159-V209 HydrophobicContact CG-CG2 4.39Å; I164-V209 HydrophobicContact CD1-CG2 4.38Å; I164-V209 HydrophobicContact CG1-CG2 4.18Å; P189-V209 HydrophobicContact CB-CG1 4.04Å; I191-V209 HydrophobicContact CD1-CB 4.06Å; I191-V209 HydrophobicContact CD1-CG1 4.36Å; I191-V209 HydrophobicContact CD1-CG2 3.96Å; I191-V209 HydrophobicContact CG1-CG2 4.27Å; V205-V209 HydrophobicContact CG1-CG2 4.11Å; V205-V209 WeakPolarHBondContact O-CB 3.26Å; V205-V209 WeakPolarHBondContact O-CG2 3.41Å; V205-V209 PolarHBondContact O-N 3.22Å; T206-V209 PolarHBondContact O-N 3.29Å; V209-A211 PolarHBondContact O-N 2.94Å; V209-A212 PolarHBondContact O-N 3.38Å; V209-A212 VanDerWaalsContact O-N 3.17Å; V209-V213 HydrophobicContact CG1-CG2 4.35Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 2.97Å
210L98.9Very high98.8Very high3 Ų346.9 Ų46.92%0.01623%0.233CC..Hα-helixtrans-66.4-36.4-177.8-66.6-176.2000112.4P189 T206 A212 V213 Y214 L229 L257 T260 V261P189-L210 HydrophobicContact CG-CD2 3.88Å; T206-L210 HydrophobicContact CG2-CD1 3.85Å; T206-L210 HydrophobicContact CG2-CG 4.21Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.24Å; T206-L210 PolarHBondContact O-N 3.46Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 3.12Å; L210-V213 PolarHBondContact O-N 3.28Å; L210-Y214 VanDerWaalsContact O-CD2 3.27Å; L210-Y214 WeakPolarHBondContact O-CD2 3.36Å; L210-Y214 PolarHBondContact O-N 2.92Å; L210-L229 HydrophobicContact CD1-CD2 4.28Å; L210-L229 HydrophobicContact CD2-CD1 3.99Å; L210-L229 HydrophobicContact CD2-CD2 4.03Å; L210-L257 HydrophobicContact CD1-CD2 3.8Å; L210-T260 HydrophobicContact CB-CG2 4.06Å; L210-T260 WeakPolarHBondContact CB-OG1 3.49Å; L210-V261 HydrophobicContact CD1-CG2 4.42Å
211A98.9Very high98.8Very high51 Ų5145.9 Ų45.942%0.42123%0.23SC..Hα-helixtrans-58.9-43.7172.700000112.1E207 V209 K215 T260E207-A211 VanDerWaalsContact O-CB 3.31Å; E207-A211 WeakPolarHBondContact O-CB 3.48Å; E207-A211 PolarHBondContact O-N 3.12Å; E207-A211 VanDerWaalsContact O-N 3.11Å; V209-A211 PolarHBondContact O-N 2.94Å; A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 2.85Å; A211-K215 VanDerWaalsContact O-N 3.12Å; A211-T260 HydrophobicContact CB-CG2 4.34Å
212A98.9Very high98.9Very high28 Ų2842.7 Ų42.723%0.23122%0.219CC..Hα-helixtrans-65.9-42176.300000112.1I164 A168 K208 V209 L210 K215 A216I164-A212 HydrophobicContact CG2-CB 3.36Å; A168-A212 HydrophobicContact CB-CB 4.25Å; K208-A212 PolarHBondContact O-N 3.36Å; V209-A212 PolarHBondContact O-N 3.38Å; V209-A212 VanDerWaalsContact O-N 3.17Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 3.12Å; A212-K215 PolarHBondContact O-N 2.78Å; A212-A216 WeakPolarHBondContact O-CB 3.46Å; A212-A216 PolarHBondContact O-N 2.83Å
213V98.9Very high98.9Very high2 Ų244.7 Ų44.71%0.01223%0.227CC..Hα-helixtrans-58.2-53.6176.7169.10000110.9A168 L171 V187 P189 V209 L210 K215 A216 L217A168-V213 HydrophobicContact CB-CG2 4.21Å; L171-V213 HydrophobicContact CD1-CG2 4.34Å; V187-V213 HydrophobicContact CG1-CG1 3.84Å; P189-V213 HydrophobicContact CB-CG2 4.04Å; P189-V213 HydrophobicContact CG-CG2 4.22Å; V209-V213 HydrophobicContact CG1-CG2 4.35Å; V209-V213 WeakPolarHBondContact O-CG2 3.44Å; V209-V213 PolarHBondContact O-N 2.97Å; L210-V213 PolarHBondContact O-N 3.28Å; V213-K215 VanDerWaalsContact C-N 3.3Å; V213-K215 PolarHBondContact O-N 3.4Å; V213-A216 PolarHBondContact O-N 3.49Å; V213-A216 VanDerWaalsContact O-N 3.12Å; V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 HydrophobicContact CG1-CG 4.29Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.02Å
214Y98.9Very high98.9Very high20 Ų2044.3 Ų44.38%0.07823%0.226CC..Hα-helixtrans-68.1-29.7-178-76.8-70.3000113.4L210 L217 S218 L224 L229 T260 V261 P262 V265L210-Y214 VanDerWaalsContact O-CD2 3.27Å; L210-Y214 WeakPolarHBondContact O-CD2 3.36Å; L210-Y214 PolarHBondContact O-N 2.92Å; Y214-L217 HydrophobicContact CD1-CD1 3.88Å; Y214-L217 HydrophobicContact CE1-CD1 3.99Å; Y214-S218 WeakPolarHBondContact O-CB 3.42Å; Y214-S218 PolarHBondContact O-N 2.78Å; Y214-L224 HydrophobicContact CD1-CD1 4.3Å; Y214-L224 HydrophobicContact CD1-CD2 4.19Å; Y214-L224 HydrophobicContact CE1-CD2 4.27Å; Y214-L229 HydrophobicContact CE2-CD2 4.41Å; Y214-T260 WeakPolarHBondContact CD2-O 3.39Å; Y214-V261 HydrophobicContact CE2-CB 4.04Å; Y214-V261 HydrophobicContact CE2-CG1 4.15Å; Y214-V261 HydrophobicContact CE2-CG2 3.71Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.48Å; Y214-P262 HydrophobicContact CD1-CG 3.97Å; Y214-P262 HydrophobicContact CE1-CG 4.5Å; Y214-P262 HydrophobicContact CG-CG 4.22Å; Y214-V265 HydrophobicContact CE1-CG2 3.56Å
215K98.9Very high98.9Very high118 Ų11842 Ų4251%0.51322%0.219SC..Hα-helixtrans-63.8-45.7170-17957.5170.8720111.4A211 A212 V213 S218 D219A211-K215 WeakPolarHBondContact O-CB 3.28Å; A211-K215 PolarHBondContact O-N 2.85Å; A211-K215 VanDerWaalsContact O-N 3.12Å; A212-K215 PolarHBondContact O-N 2.78Å; V213-K215 VanDerWaalsContact C-N 3.3Å; V213-K215 PolarHBondContact O-N 3.4Å; K215-S218 WeakPolarHBondContact O-CB 3.49Å; K215-S218 PolarHBondContact O-N 3.17Å; K215-D219 IonicContact NZ-OD1 3.47Å; K215-D219 PolarHBondContact NZ-OD1 3.41Å; K215-D219 IonicContact NZ-OD2 3.65Å; K215-D219 PolarHBondContact NZ-OD2 2.89Å; K215-D219 VanDerWaalsContact O-CG 3.24Å; K215-D219 PolarHBondContact O-N 2.89Å
216A98.9Very high98.9Very high11 Ų1141.7 Ų41.79%0.09122%0.218CC..Hα-helixtrans-63.9-42.7176.700000112A168 A172 A212 V213 S218 D219 H220A168-A216 HydrophobicContact CB-CB 3.91Å; A168-A216 WeakPolarHBondContact O-CB 3.15Å; A172-A216 HydrophobicContact CB-CB 3.93Å; A172-A216 WeakPolarHBondContact CB-O 3.5Å; A212-A216 WeakPolarHBondContact O-CB 3.46Å; A212-A216 PolarHBondContact O-N 2.83Å; V213-A216 PolarHBondContact O-N 3.49Å; V213-A216 VanDerWaalsContact O-N 3.12Å; A216-S218 VanDerWaalsContact C-N 3.28Å; A216-S218 PolarHBondContact O-N 3.12Å; A216-D219 PolarHBondContact O-N 3.43Å; A216-D219 VanDerWaalsContact O-N 3.16Å; A216-H220 PolarHBondContact O-CD2 3.49Å; A216-H220 VanDerWaalsContact O-CD2 3.23Å; A216-H220 PolarHBondContact O-N 3.26Å
217L98.9Very high98.9Very high2 Ų241.7 Ų41.71%0.0122%0.217CC..Hα-helixtrans-59-40.5175.3-65.7175.8000111.8A172 A175 V187 V213 Y214 H220 H221 V222 L224A172-L217 HydrophobicContact CB-CD2 4.09Å; A175-L217 HydrophobicContact CB-CD2 3.98Å; V187-L217 HydrophobicContact CG2-CD2 4.33Å; V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 HydrophobicContact CG1-CG 4.29Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.02Å; Y214-L217 HydrophobicContact CD1-CD1 3.88Å; Y214-L217 HydrophobicContact CE1-CD1 3.99Å; L217-H220 PolarHBondContact O-N 3.44Å; L217-H221 PolarHBondContact O-N 3.2Å; L217-V222 HydrophobicContact CB-CB 4.11Å; L217-V222 HydrophobicContact CB-CG2 4.38Å; L217-V222 HydrophobicContact CD2-CB 4.2Å; L217-V222 HydrophobicContact CD2-CG1 4.17Å; L217-V222 HydrophobicContact CD2-CG2 3.9Å; L217-V222 WeakPolarHBondContact O-CB 3.35Å; L217-V222 PolarHBondContact O-N 2.88Å; L217-L224 HydrophobicContact CB-CD2 4.15Å; L217-L224 HydrophobicContact CD1-CD2 4.11Å
218S98.8Very high98.9Very high78 Ų7840.1 Ų40.155%0.54521%0.21SC..Hα-helixtrans-62.5-45.7173.9-174.80000112.3Y214 K215 A216 H220 H221Y214-S218 WeakPolarHBondContact O-CB 3.42Å; Y214-S218 PolarHBondContact O-N 2.78Å; K215-S218 WeakPolarHBondContact O-CB 3.49Å; K215-S218 PolarHBondContact O-N 3.17Å; A216-S218 VanDerWaalsContact C-N 3.28Å; A216-S218 PolarHBondContact O-N 3.12Å; S218-H220 VanDerWaalsContact C-N 3.27Å; S218-H220 PolarHBondContact O-N 2.93Å; S218-H221 PolarHBondContact O-N 3.47Å
219D98.6Very high98.9Very high85 Ų8535.1 Ų35.146%0.45519%0.188SC..Hα-helixtrans-64.7-30.2-179.3-68.5-18.8000113.2K215 A216 H221K215-D219 IonicContact NZ-OD1 3.47Å; K215-D219 PolarHBondContact NZ-OD1 3.41Å; K215-D219 IonicContact NZ-OD2 3.65Å; K215-D219 PolarHBondContact NZ-OD2 2.89Å; K215-D219 VanDerWaalsContact O-CG 3.24Å; K215-D219 PolarHBondContact O-N 2.89Å; A216-D219 PolarHBondContact O-N 3.43Å; A216-D219 VanDerWaalsContact O-N 3.16Å; D219-H221 VanDerWaalsContact C-N 3.33Å
220H98.8Very high98.9Very high41 Ų4135.3 Ų35.319%0.1919%0.189CC..THydrogen-bonded Turntrans-93.612.8175.7-71.6-103.6000113.3N169 A172 R173 A216 L217 S218 V222N169-H220 PolarHBondContact OD1-NE2 2.83Å; A172-H220 HydrophobicContact CB-CB 3.91Å; A172-H220 VanDerWaalsContact CB-CD2 3.5Å; A172-H220 WeakPolarHBondContact CB-CD2 3.35Å; R173-H220 WeakPolarHBondContact CD-CE1 3.48Å; A216-H220 PolarHBondContact O-CD2 3.49Å; A216-H220 VanDerWaalsContact O-CD2 3.23Å; A216-H220 PolarHBondContact O-N 3.26Å; L217-H220 PolarHBondContact O-N 3.44Å; S218-H220 VanDerWaalsContact C-N 3.27Å; S218-H220 PolarHBondContact O-N 2.93Å; H220-V222 HydrophobicContact CB-CG2 4.29Å; H220-V222 PolarHBondContact O-N 2.8Å
221H98.7Very high98.9Very high134 Ų13435.2 Ų35.262%0.6219%0.189SC*.THydrogen-bonded Turntrans59.830.5174.9-45.4-48.4000114.4L217 S218 D219 Y223L217-H221 PolarHBondContact O-N 3.2Å; S218-H221 PolarHBondContact O-N 3.47Å; D219-H221 VanDerWaalsContact C-N 3.33Å; H221-Y223 PolarHBondContact O-N 2.77Å
222V98.9Very high98.9Very high13 Ų1333.3 Ų33.38%0.07917%0.171CC..  trans-69.2130.7179.9177.60000110.1A175 L217 H220 L224 T227A175-V222 HydrophobicContact CB-CG1 4.09Å; A175-V222 HydrophobicContact CB-CG2 3.95Å; L217-V222 HydrophobicContact CB-CB 4.11Å; L217-V222 HydrophobicContact CB-CG2 4.38Å; L217-V222 HydrophobicContact CD2-CB 4.2Å; L217-V222 HydrophobicContact CD2-CG1 4.17Å; L217-V222 HydrophobicContact CD2-CG2 3.9Å; L217-V222 WeakPolarHBondContact O-CB 3.35Å; L217-V222 PolarHBondContact O-N 2.88Å; H220-V222 HydrophobicContact CB-CG2 4.29Å; H220-V222 PolarHBondContact O-N 2.8Å; V222-L224 PolarHBondContact O-N 2.65Å; V222-T227 HydrophobicContact CG1-CG2 3.52Å
223Y98.9Very high98.9Very high46 Ų4632.1 Ų32.118%0.1816%0.161CC..  trans-81102.2176.7176.2-121.9000110.3L8 K13 Q179 H221 E225 G226 T227L8-Y223 HydrophobicContact CD1-CD1 4.35Å; L8-Y223 HydrophobicContact CD1-CG 4.33Å; K13-Y223 HydrophobicContact CB-CD1 4.11Å; K13-Y223 HydrophobicContact CB-CE1 3.6Å; K13-Y223 HydrophobicContact CB-CE2 4.47Å; K13-Y223 HydrophobicContact CD-CD2 4.17Å; K13-Y223 HydrophobicContact CD-CE1 4.48Å; K13-Y223 HydrophobicContact CD-CE2 3.99Å; K13-Y223 HydrophobicContact CD-CG 4.48Å; K13-Y223 HydrophobicContact CG-CD1 3.86Å; K13-Y223 HydrophobicContact CG-CD2 4.22Å; K13-Y223 HydrophobicContact CG-CE1 3.81Å; K13-Y223 HydrophobicContact CG-CE2 4.18Å; K13-Y223 HydrophobicContact CG-CG 4.06Å; K13-Y223 WeakPolarHBondContact O-CE1 3.44Å; Q179-Y223 PolarHBondContact NE2-O 2.48Å; H221-Y223 PolarHBondContact O-N 2.77Å; Y223-E225 VanDerWaalsContact C-N 3.34Å; Y223-E225 HydrophobicContact CD1-CB 4.48Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.28Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.42Å; Y223-E225 HydrophobicContact CE1-CB 3.78Å; Y223-E225 HydrophobicContact CE2-CB 3.88Å; Y223-E225 HydrophobicContact CE2-CG 4.04Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.44Å; Y223-E225 VanDerWaalsContact CZ-CB 3.45Å; Y223-E225 PolarHBondContact O-N 3.27Å; Y223-E225 WeakPolarHBondContact OH-CB 3.45Å; Y223-G226 PolarHBondContact O-N 3.47Å; Y223-T227 WeakPolarHBondContact O-CG2 3.33Å
224L99Very high98.9Very high27 Ų2732 Ų3214%0.14116%0.161CC..G310 helixtrans-64.2-34.1-167.6-62.8-174.6000114Y214 L217 V222 G226 T227 P262 A264 V265 P266Y214-L224 HydrophobicContact CD1-CD1 4.3Å; Y214-L224 HydrophobicContact CD1-CD2 4.19Å; Y214-L224 HydrophobicContact CE1-CD2 4.27Å; L217-L224 HydrophobicContact CB-CD2 4.15Å; L217-L224 HydrophobicContact CD1-CD2 4.11Å; V222-L224 PolarHBondContact O-N 2.65Å; L224-G226 PolarHBondContact O-N 3.32Å; L224-T227 PolarHBondContact O-N 3.41Å; L224-T227 PolarHBondContact O-OG1 2.73Å; L224-P262 HydrophobicContact CD1-CB 3.87Å; L224-P262 HydrophobicContact CD1-CG 3.75Å; L224-A264 HydrophobicContact CB-CB 4Å; L224-A264 HydrophobicContact CD1-CB 4.45Å; L224-V265 HydrophobicContact CB-CG2 4.17Å; L224-V265 HydrophobicContact CD1-CG2 4.43Å; L224-P266 WeakPolarHBondContact O-CD 3.47Å
225E98.9Very high98.8Very high72 Ų7232.1 Ų32.134%0.33616%0.163SC..G310 helixtrans-62.6-21.8176.4-60.986.4144.300112Y223 A264 P266Y223-E225 VanDerWaalsContact C-N 3.34Å; Y223-E225 HydrophobicContact CD1-CB 4.48Å; Y223-E225 VanDerWaalsContact CD2-OE2 3.28Å; Y223-E225 WeakPolarHBondContact CD2-OE2 3.42Å; Y223-E225 HydrophobicContact CE1-CB 3.78Å; Y223-E225 HydrophobicContact CE2-CB 3.88Å; Y223-E225 HydrophobicContact CE2-CG 4.04Å; Y223-E225 WeakPolarHBondContact CE2-OE2 3.44Å; Y223-E225 VanDerWaalsContact CZ-CB 3.45Å; Y223-E225 PolarHBondContact O-N 3.27Å; Y223-E225 WeakPolarHBondContact OH-CB 3.45Å; E225-A264 VanDerWaalsContact CA-O 3.27Å; E225-A264 WeakPolarHBondContact CA-O 3.49Å; E225-A264 HydrophobicContact CG-CB 4.23Å; E225-A264 WeakPolarHBondContact CG-O 3.48Å; E225-A264 PolarHBondContact N-O 2.89Å; E225-P266 WeakPolarHBondContact O-CG 3.36Å
226G98.9Very high98.8Very high0 Ų027.7 Ų27.70%015%0.147CC..G310 helixtrans-10030.5172.900000113.6Q179 P185 Y223 L224Q179-G226 PolarHBondContact NE2-O 3.47Å; Q179-G226 VanDerWaalsContact NE2-O 3.1Å; P185-G226 WeakPolarHBondContact CD-O 3.19Å; Y223-G226 PolarHBondContact O-N 3.47Å; L224-G226 PolarHBondContact O-N 3.32Å
227T99Very high98.7Very high1 Ų127.4 Ų27.41%0.00614%0.144CC..  trans-131.7168.9177.169.90000111.5P185 V222 Y223 L224 P266P185-T227 HydrophobicContact CG-CG2 3.99Å; V222-T227 HydrophobicContact CG1-CG2 3.52Å; Y223-T227 WeakPolarHBondContact O-CG2 3.33Å; L224-T227 PolarHBondContact O-N 3.41Å; L224-T227 PolarHBondContact O-OG1 2.73Å; T227-P266 WeakPolarHBondContact O-CD 3.09Å; T227-P266 WeakPolarHBondContact O-CG 3.25Å
228L99Very high98.5Very high1 Ų131.9 Ų31.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-134.8149.1162.8-64.7170.5000109.2A20 I23 V24 I30 V184 P185 I186 V187 P266 T269A20-L228 HydrophobicContact CB-CD2 4.48Å; I23-L228 HydrophobicContact CB-CD1 4.06Å; I23-L228 HydrophobicContact CD1-CD1 4.05Å; I23-L228 HydrophobicContact CG2-CD1 3.72Å; V24-L228 HydrophobicContact CG1-CD1 4.03Å; V24-L228 HydrophobicContact CG1-CD2 3.61Å; V24-L228 HydrophobicContact CG1-CG 4.49Å; V24-L228 HydrophobicContact CG2-CD2 4.21Å; I30-L228 HydrophobicContact CD1-CD1 4.47Å; V184-L228 HydrophobicContact CG1-CG 4.47Å; P185-L228 PolarHBondContact O-N 2.81Å; P185-L228 VanDerWaalsContact O-N 3.14Å; I186-L228 WeakPolarHBondContact CA-O 3.37Å; I186-L228 HydrophobicContact CD1-CD1 4.42Å; I186-L228 HydrophobicContact CG1-CB 4.13Å; I186-L228 HydrophobicContact CG1-CD1 4.26Å; V187-L228 PolarHBondContact N-O 3.13Å; L228-P266 HydrophobicContact CD2-CG 3.96Å; L228-T269 HydrophobicContact CD1-CG2 4.48Å
229L99Very high98.4Very high1 Ų131.3 Ų31.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-99.9131.9173.3-17871.8000109.7V187 P189 L210 Y214 P231 L257 V261 G267 V268 T269V187-L229 HydrophobicContact CG1-CD1 4.42Å; P189-L229 HydrophobicContact CG-CD1 4.1Å; L210-L229 HydrophobicContact CD1-CD2 4.28Å; L210-L229 HydrophobicContact CD2-CD1 3.99Å; L210-L229 HydrophobicContact CD2-CD2 4.03Å; Y214-L229 HydrophobicContact CE2-CD2 4.41Å; L229-P231 HydrophobicContact CD2-CB 4.13Å; L229-P231 HydrophobicContact CD2-CG 3.87Å; L229-P231 HydrophobicContact CG-CB 4.22Å; L229-P231 HydrophobicContact CG-CG 4.03Å; L229-P231 WeakPolarHBondContact O-CD 3.33Å; L229-L257 HydrophobicContact CD2-CD2 4.05Å; L229-V261 HydrophobicContact CD2-CG2 3.88Å; L229-G267 PolarHBondContact N-O 2.98Å; L229-V268 HydrophobicContact CB-CG2 4.38Å; L229-V268 HydrophobicContact CD2-CG1 4.39Å; L229-V268 HydrophobicContact CD2-CG2 4.41Å; L229-V268 CarbonylContact O-C 3.53Å; L229-V268 VanDerWaalsContact O-CA 3.28Å; L229-V268 WeakPolarHBondContact O-CA 3.5Å; L229-T269 PolarHBondContact O-N 3.45Å; L229-T269 PolarHBondContact O-OG1 2.67Å
230K98.9Very high98.3Very high7 Ų727.6 Ų27.63%0.0315%0.145CC..  trans-116.981.8170.3175.2168.8-176.1176.40109.7I186 V187 E188 T269 L271 S301I186-K230 HydrophobicContact CG2-CB 3.42Å; I186-K230 VanDerWaalsContact CG2-CB 3.42Å; I186-K230 HydrophobicContact CG2-CD 4.19Å; I186-K230 HydrophobicContact CG2-CG 4.45Å; V187-K230 PolarHBondContact O-N 3.22Å; E188-K230 WeakPolarHBondContact CA-O 3.27Å; E188-K230 HydrophobicContact CB-CB 3.99Å; E188-K230 HydrophobicContact CB-CD 4.34Å; E188-K230 HydrophobicContact CB-CG 4.17Å; E188-K230 HydrophobicContact CG-CB 4.22Å; E188-K230 HydrophobicContact CG-CD 4.06Å; E188-K230 HydrophobicContact CG-CG 3.85Å; E188-K230 WeakPolarHBondContact OE1-CE 3.13Å; E188-K230 IonicContact OE1-NZ 3.37Å; K230-T269 WeakPolarHBondContact CA-O 3.36Å; K230-T269 WeakPolarHBondContact CB-O 3.38Å; K230-T269 VanDerWaalsContact CG-O 3.26Å; K230-T269 WeakPolarHBondContact CG-O 3.4Å; K230-L271 HydrophobicContact CG-CB 4.14Å; K230-L271 HydrophobicContact CG-CD2 4.41Å; K230-S301 VanDerWaalsContact CE-O 3.29Å; K230-S301 WeakPolarHBondContact CE-O 3.33Å; K230-S301 WeakPolarHBondContact CE-OG 3.29Å; K230-S301 PolarHBondContact NZ-O 2.91Å; K230-S301 PolarHBondContact NZ-OG 2.75Å
231P98.8Very high98.2Very high1 Ų130.9 Ų30.91%0.00617%0.171CC..PPolyproline II helixtrans-90.8166.2179.737.2-28.9000110L229 L257 V268 F270 L271L229-P231 HydrophobicContact CD2-CB 4.13Å; L229-P231 HydrophobicContact CD2-CG 3.87Å; L229-P231 HydrophobicContact CG-CB 4.22Å; L229-P231 HydrophobicContact CG-CG 4.03Å; L229-P231 WeakPolarHBondContact O-CD 3.33Å; P231-L257 HydrophobicContact CG-CD2 4.29Å; P231-V268 VanDerWaalsContact CD-CG1 3.49Å; P231-V268 HydrophobicContact CG-CG1 3.51Å; P231-F270 HydrophobicContact CG-CD1 3.9Å; P231-F270 HydrophobicContact CG-CE1 3.95Å; P231-L271 WeakPolarHBondContact O-CG 3.47Å; P231-L271 PolarHBondContact O-N 3.15Å; P231-L271 VanDerWaalsContact O-N 3.14Å
232N98.8Very high98.1Very high11 Ų1128.7 Ų28.76%0.05916%0.162CC..BIsolated β-bridgetrans-62.9150.4156.254.6-79.6000110.3I191 T206 L271I191-N232 VanDerWaalsContact CB-OD1 3.31Å; I191-N232 WeakPolarHBondContact CB-OD1 2.97Å; I191-N232 PolarHBondContact N-OD1 3.45Å; T206-N232 PolarHBondContact OG1-ND2 3.03Å; N232-L271 HydrophobicContact CB-CD1 4.19Å; N232-L271 HydrophobicContact CB-CG 4.5Å
233M98.7Very high97.9Very high3 Ų336.5 Ų36.52%0.01520%0.195CC..PPolyproline II helixtrans-65.3155158.1-65.2179-179.100109T235 F270 N283 L284 I287 Y302M233-T235 HydrophobicContact CB-CG2 3.98Å; M233-T235 PolarHBondContact O-N 3.3Å; M233-F270 HydrophobicContact CE-CB 3.88Å; M233-F270 HydrophobicContact CE-CD2 4.21Å; M233-F270 HydrophobicContact CE-CG 4.01Å; M233-F270 HydrophobicContact CG-CB 4.19Å; M233-F270 HydrophobicContact CG-CD1 3.71Å; M233-F270 HydrophobicContact CG-CE1 4.28Å; M233-F270 HydrophobicContact CG-CG 3.97Å; M233-N283 HydrophobicContact CE-CB 4.3Å; M233-N283 HydrophobicContact SD-CB 3.6Å; M233-N283 VanDerWaalsContact SD-CB 3.6Å; M233-L284 HydrophobicContact CE-CB 4.01Å; M233-I287 HydrophobicContact CE-CD1 3.87Å; M233-I287 HydrophobicContact CG-CD1 3.91Å; M233-I287 HydrophobicContact SD-CD1 3.85Å; M233-Y302 WeakPolarHBondContact CE-OH 3.45Å
234V98.7Very high97.8Very high1 Ų136.7 Ų36.71%0.00620%0.196CC..  trans-83.799172.71790000107.6L199 C202 Q203 T206 A252 T253 A256L199-V234 HydrophobicContact CD1-CG1 3.92Å; L199-V234 WeakPolarHBondContact CD1-O 3.26Å; C202-V234 HydrophobicContact CB-CG1 4.19Å; Q203-V234 VanDerWaalsContact CA-CG1 3.48Å; Q203-V234 HydrophobicContact CB-CG1 3.64Å; Q203-V234 HydrophobicContact CG-CG1 4.18Å; T206-V234 HydrophobicContact CG2-CG2 3.97Å; V234-A252 HydrophobicContact CB-CB 4.12Å; V234-A252 HydrophobicContact CG1-CB 3.67Å; V234-T253 WeakPolarHBondContact CB-OG1 3.47Å; V234-T253 PolarHBondContact N-OG1 3.12Å; V234-A256 HydrophobicContact CG2-CB 3.95Å
235T98.5Very high97.7Very high21 Ų2138.4 Ų38.413%0.12921%0.208CC..  trans-120159.1-179.862.60000110.2C202 M233 I249C202-T235 WeakPolarHBondContact CB-O 3.3Å; C202-T235 PolarHBondContact SG-O 3.27Å; M233-T235 HydrophobicContact CB-CG2 3.98Å; M233-T235 PolarHBondContact O-N 3.3Å; T235-I249 HydrophobicContact CG2-CD1 4.4Å; T235-I249 HydrophobicContact CG2-CG2 4.07Å
236P97.6Very high97.6Very high26 Ų2637 Ų3717%0.16921%0.205CC..  trans-59.1159.8163.331.6-39.9000110.8C240 Y244P236-C240 HydrophobicContact CB-CB 3.73Å; P236-Y244 HydrophobicContact CB-CD2 3.85Å; P236-Y244 HydrophobicContact CB-CE2 3.92Å; P236-Y244 HydrophobicContact CG-CD2 3.8Å; P236-Y244 HydrophobicContact CG-CE2 4.38Å
237G97.1Very high97.6Very high4 Ų442.9 Ų42.94%0.04123%0.232CC..  trans-60.7150.7168.700000110.9P193 G195 H197 A239 C240P193-G237 CarbonylContact O-C 3.48Å; P193-G237 VanDerWaalsContact O-CA 3.25Å; P193-G237 WeakPolarHBondContact O-CA 3.47Å; G195-G237 CarbonylContact O-C 3.46Å; G195-G237 VanDerWaalsContact O-C 3.24Å; G195-G237 WeakPolarHBondContact O-CA 3.42Å; H197-G237 PolarHBondContact CD2-N 2.81Å; H197-G237 WeakPolarHBondContact NE2-CA 3.37Å; H197-G237 PolarHBondContact NE2-N 3.43Å; H197-G237 PolarHBondContact O-N 3.33Å; G237-A239 PolarHBondContact O-N 3.24Å; G237-C240 WeakPolarHBondContact O-CB 3.33Å; G237-C240 PolarHBondContact O-N 3.16Å
238H95.3Very high97.5Very high97 Ų9747 Ų4745%0.44925%0.251SS..THydrogen-bonded Turntrans-57.9-33.7-175.3-174.673000112.8P193 G195 Y358P193-H238 PolarHBondContact O-N 3.23Å; G195-H238 PolarHBondContact O-N 3.2Å; H238-Y358 HydrophobicContact CB-CD2 4.21Å; H238-Y358 HydrophobicContact CB-CE1 4.38Å; H238-Y358 HydrophobicContact CB-CE2 3.87Å; H238-Y358 AromaticContact CD2-CD1 3.42Å; H238-Y358 VanDerWaalsContact CD2-CD1 3.42Å; H238-Y358 WeakPolarHBondContact CD2-CD1 3.45Å; H238-Y358 AromaticContact CD2-CE1 3.36Å; H238-Y358 WeakPolarHBondContact CD2-CE1 3.23Å; H238-Y358 AromaticContact CD2-CG 3.92Å; H238-Y358 AromaticContact CD2-CZ 3.82Å; H238-Y358 AromaticContact CE1-CD1 3.62Å; H238-Y358 AromaticContact CE1-CG 3.58Å; H238-Y358 AromaticContact CG-CD1 3.78Å; H238-Y358 AromaticContact CG-CD2 3.89Å; H238-Y358 AromaticContact CG-CE1 3.8Å; H238-Y358 AromaticContact CG-CE2 3.92Å; H238-Y358 AromaticContact CG-CG 3.8Å; H238-Y358 AromaticContact CG-CZ 3.84Å; H238-Y358 AromaticContact ND1-CD1 3.89Å; H238-Y358 AromaticContact ND1-CD2 3.87Å; H238-Y358 AromaticContact ND1-CG 3.59Å; H238-Y358 AromaticContact NE2-CD1 3.31Å; H238-Y358 VanDerWaalsContact NE2-CD1 3.31Å; H238-Y358 WeakPolarHBondContact NE2-CD1 3.37Å; H238-Y358 AromaticContact NE2-CE1 3.74Å; H238-Y358 AromaticContact NE2-CG 3.79Å
239A96.4Very high97.5Very high65 Ų6547.3 Ų47.354%0.53725%0.253SS..THydrogen-bonded Turntrans-93.48.1177.500000113.4G195 D196 G237G195-A239 WeakPolarHBondContact O-CB 3.21Å; G195-A239 PolarHBondContact O-N 3.45Å; D196-A239 HydrophobicContact CB-CB 4.28Å; G237-A239 PolarHBondContact O-N 3.24Å
240C97Very high97.5Very high7 Ų747.3 Ų47.35%0.04725%0.253CS..  trans-64.8128.5179.6-169.80000110.3P236 G237 I242P236-C240 HydrophobicContact CB-CB 3.73Å; G237-C240 WeakPolarHBondContact O-CB 3.33Å; G237-C240 PolarHBondContact O-N 3.16Å; C240-I242 VanDerWaalsContact C-N 3.28Å; C240-I242 PolarHBondContact O-N 2.79Å
241P96.8Very high97.5Very high111 Ų11150.7 Ų50.772%0.72127%0.27SS*.SBendtrans-73.5-21.9179.328.9-34.6000112.8
242I96.9Very high97.5Very high87 Ų8750.9 Ų50.945%0.44627%0.272SS..SBendtrans-80.8126.5-179.7-51.9175.3000109C240 Y244C240-I242 VanDerWaalsContact C-N 3.28Å; C240-I242 PolarHBondContact O-N 2.79Å; I242-Y244 HydrophobicContact CB-CE2 3.74Å; I242-Y244 HydrophobicContact CG2-CD2 4.22Å; I242-Y244 HydrophobicContact CG2-CE1 4.08Å; I242-Y244 HydrophobicContact CG2-CE2 3.59Å
243K93.7Very high97.5Very high178 Ų17850.4 Ų50.477%0.77427%0.269SS*.  trans-90.9138.7172.6-58.4-55.1-178.2-172.20109.7
244Y97.1Very high97.5Very high50 Ų5050.4 Ų50.420%0.19627%0.269CS..  trans-123.8147.2179.1-65.3-86.3000109.3L199 P236 I242 E248L199-Y244 HydrophobicContact CB-CD1 4.11Å; L199-Y244 HydrophobicContact CB-CD2 4.09Å; L199-Y244 HydrophobicContact CB-CE1 3.81Å; L199-Y244 HydrophobicContact CB-CE2 3.77Å; L199-Y244 HydrophobicContact CB-CG 4.23Å; L199-Y244 HydrophobicContact CD2-CD1 3.64Å; L199-Y244 HydrophobicContact CD2-CE1 3.99Å; L199-Y244 HydrophobicContact CD2-CG 3.99Å; P236-Y244 HydrophobicContact CB-CD2 3.85Å; P236-Y244 HydrophobicContact CB-CE2 3.92Å; P236-Y244 HydrophobicContact CG-CD2 3.8Å; P236-Y244 HydrophobicContact CG-CE2 4.38Å; I242-Y244 HydrophobicContact CB-CE2 3.74Å; I242-Y244 HydrophobicContact CG2-CD2 4.22Å; I242-Y244 HydrophobicContact CG2-CE1 4.08Å; I242-Y244 HydrophobicContact CG2-CE2 3.59Å; Y244-E248 VanDerWaalsContact CA-OE2 3.24Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.42Å; Y244-E248 HydrophobicContact CD1-CB 4.34Å
245T96.7Very high97.5Very high63 Ų6351.5 Ų51.539%0.38728%0.276SS..  trans-78.6160.8175.980.20000111.4E247 E248 I249T245-E247 VanDerWaalsContact CB-OE2 3.29Å; T245-E247 WeakPolarHBondContact CB-OE2 3.03Å; T245-E247 PolarHBondContact O-N 2.94Å; T245-E247 PolarHBondContact OG1-N 3.46Å; T245-E247 PolarHBondContact OG1-OE2 2.85Å; T245-E248 PolarHBondContact N-OE2 3.28Å; T245-E248 PolarHBondContact O-N 3.48Å; T245-E248 VanDerWaalsContact O-N 3.11Å; T245-E248 PolarHBondContact OG1-N 3.31Å; T245-I249 PolarHBondContact O-N 3.08Å; T245-I249 VanDerWaalsContact O-N 3.08Å
246P96.8Very high97.5Very high42 Ų4250.5 Ų50.527%0.27327%0.27SS..Hα-helixtrans-54.1-33.1171-28.337.3000113.4A250 F282 N283 A286P246-A250 WeakPolarHBondContact O-CB 3.3Å; P246-A250 PolarHBondContact O-N 3.33Å; P246-F282 HydrophobicContact CG-CB 4.45Å; P246-N283 WeakPolarHBondContact CA-OD1 3.45Å; P246-N283 WeakPolarHBondContact CB-OD1 3.49Å; P246-A286 HydrophobicContact CB-CB 3.76Å; P246-A286 WeakPolarHBondContact O-CB 3.45Å
247E97.8Very high97.6Very high123 Ų12349.4 Ų49.458%0.57526%0.263SS*.Hα-helixtrans-68.1-38177.2-63.268.9-148.600112.4T245 A250 M251T245-E247 VanDerWaalsContact CB-OE2 3.29Å; T245-E247 WeakPolarHBondContact CB-OE2 3.03Å; T245-E247 PolarHBondContact O-N 2.94Å; T245-E247 PolarHBondContact OG1-N 3.46Å; T245-E247 PolarHBondContact OG1-OE2 2.85Å; E247-A250 PolarHBondContact O-N 3.43Å; E247-M251 WeakPolarHBondContact O-CB 3.44Å; E247-M251 PolarHBondContact O-N 2.79Å
248E98.4Very high97.6Very high87 Ų8754.6 Ų54.641%0.40728%0.281SS..Hα-helixtrans-67.8-44.9175-68.6178.2111.300111.2L199 Y244 T245 A250 M251 A252L199-E248 HydrophobicContact CD2-CB 4.16Å; Y244-E248 VanDerWaalsContact CA-OE2 3.24Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.42Å; Y244-E248 HydrophobicContact CD1-CB 4.34Å; T245-E248 PolarHBondContact N-OE2 3.28Å; T245-E248 PolarHBondContact O-N 3.48Å; T245-E248 VanDerWaalsContact O-N 3.11Å; T245-E248 PolarHBondContact OG1-N 3.31Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 3.03Å; E248-M251 PolarHBondContact O-N 3.01Å; E248-A252 WeakPolarHBondContact O-CB 3.33Å; E248-A252 PolarHBondContact O-N 3.25Å
249I98.6Very high97.8Very high8 Ų857.6 Ų57.64%0.04129%0.289CS..Hα-helixtrans-58.1-44.7173.1-71.6169.3000110.3L199 T235 T245 A252 T253 N283L199-I249 HydrophobicContact CD1-CG1 4.37Å; T235-I249 HydrophobicContact CG2-CD1 4.4Å; T235-I249 HydrophobicContact CG2-CG2 4.07Å; T245-I249 PolarHBondContact O-N 3.08Å; T245-I249 VanDerWaalsContact O-N 3.08Å; I249-A252 PolarHBondContact O-N 2.83Å; I249-T253 VanDerWaalsContact O-CB 3.24Å; I249-T253 WeakPolarHBondContact O-CB 3.31Å; I249-T253 PolarHBondContact O-N 2.95Å; I249-T253 PolarHBondContact O-OG1 2.92Å; I249-N283 HydrophobicContact CG2-CB 4.34Å
250A98.4Very high97.9Very high1 Ų155.5 Ų55.51%0.00827%0.269CS..Hα-helixtrans-62.4-46.7177.700000112.3P246 E247 E248 T253 V254 A286 I287P246-A250 WeakPolarHBondContact O-CB 3.3Å; P246-A250 PolarHBondContact O-N 3.33Å; E247-A250 PolarHBondContact O-N 3.43Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 3.03Å; A250-T253 PolarHBondContact O-N 2.84Å; A250-V254 WeakPolarHBondContact O-CB 3.42Å; A250-V254 WeakPolarHBondContact O-CG2 3.49Å; A250-V254 PolarHBondContact O-N 3Å; A250-A286 HydrophobicContact CB-CB 3.76Å; A250-A286 WeakPolarHBondContact CB-O 3.31Å; A250-I287 HydrophobicContact CB-CB 4.46Å; A250-I287 HydrophobicContact CB-CG1 3.94Å
251M98.7Very high98Very high78 Ų7855.5 Ų55.538%0.38427%0.269SS..Hα-helixtrans-61.6-46.3178.5-176.158.269.300111.5E247 E248 T255 P291 L292E247-M251 WeakPolarHBondContact O-CB 3.44Å; E247-M251 PolarHBondContact O-N 2.79Å; E248-M251 PolarHBondContact O-N 3.01Å; M251-T255 WeakPolarHBondContact O-CB 3.47Å; M251-T255 PolarHBondContact O-N 3.29Å; M251-T255 PolarHBondContact O-OG1 3.04Å; M251-P291 HydrophobicContact CE-CG 4.49Å; M251-L292 HydrophobicContact CE-CG 4.49Å; M251-L292 HydrophobicContact SD-CD1 3.59Å; M251-L292 VanDerWaalsContact SD-CD1 3.59Å; M251-L292 HydrophobicContact SD-CG 4.18Å
252A98.8Very high98.1Very high5 Ų552.2 Ų52.24%0.04125%0.247CC..Hα-helixtrans-63-44.4177.900000111.5L199 Q203 V234 E248 I249 A256L199-A252 HydrophobicContact CD1-CB 4.02Å; L199-A252 HydrophobicContact CD2-CB 4Å; L199-A252 HydrophobicContact CG-CB 3.95Å; Q203-A252 HydrophobicContact CG-CB 4.5Å; V234-A252 HydrophobicContact CB-CB 4.12Å; V234-A252 HydrophobicContact CG1-CB 3.67Å; E248-A252 WeakPolarHBondContact O-CB 3.33Å; E248-A252 PolarHBondContact O-N 3.25Å; I249-A252 PolarHBondContact O-N 2.83Å; A252-A256 WeakPolarHBondContact O-CB 3.32Å; A252-A256 PolarHBondContact O-N 3.08Å
253T98.9Very high98.2Very high2 Ų252.7 Ų52.71%0.01226%0.256CS..Hα-helixtrans-63.3-54.1179.3-58.80000111.5V234 I249 A250 T255 A256 L257 F270 I287V234-T253 WeakPolarHBondContact CB-OG1 3.47Å; V234-T253 PolarHBondContact N-OG1 3.12Å; I249-T253 VanDerWaalsContact O-CB 3.24Å; I249-T253 WeakPolarHBondContact O-CB 3.31Å; I249-T253 PolarHBondContact O-N 2.95Å; I249-T253 PolarHBondContact O-OG1 2.92Å; A250-T253 PolarHBondContact O-N 2.84Å; T253-T255 VanDerWaalsContact C-N 3.28Å; T253-T255 PolarHBondContact O-N 3.02Å; T253-A256 PolarHBondContact O-N 2.95Å; T253-L257 HydrophobicContact CG2-CD1 4.22Å; T253-L257 WeakPolarHBondContact O-CG 3.5Å; T253-L257 PolarHBondContact O-N 3.31Å; T253-L257 VanDerWaalsContact O-N 3.08Å; T253-F270 HydrophobicContact CG2-CE1 3.48Å; T253-F270 VanDerWaalsContact CG2-CE1 3.48Å; T253-F270 HydrophobicContact CG2-CZ 3.68Å; T253-I287 HydrophobicContact CG2-CD1 3.88Å; T253-I287 HydrophobicContact CG2-CG1 4.31Å
254V98.8Very high98.4Very high2 Ų245.9 Ų45.91%0.01223%0.233CC..Hα-helixtrans-64-36.5-178.4173.10000111A250 R258 I287 C290 L292 R294A250-V254 WeakPolarHBondContact O-CB 3.42Å; A250-V254 WeakPolarHBondContact O-CG2 3.49Å; A250-V254 PolarHBondContact O-N 3Å; V254-R258 HydrophobicContact CG1-CG 4.24Å; V254-R258 WeakPolarHBondContact O-CB 3.39Å; V254-R258 WeakPolarHBondContact O-CD 3.31Å; V254-R258 WeakPolarHBondContact O-CG 3.26Å; V254-R258 PolarHBondContact O-N 3.32Å; V254-I287 HydrophobicContact CG2-CG2 3.95Å; V254-C290 HydrophobicContact CB-CB 4.45Å; V254-C290 HydrophobicContact CG2-CB 3.94Å; V254-L292 HydrophobicContact CG1-CB 3.91Å; V254-L292 HydrophobicContact CG1-CD1 4.18Å; V254-R294 HydrophobicContact CG1-CG 3.71Å; V254-R294 HydrophobicContact CG2-CG 4.48Å
255T98.8Very high98.5Very high24 Ų2443.5 Ų43.515%0.14722%0.224CC..Hα-helixtrans-64.5-46.1175.7-62.50000112M251 T253 L257 R258 R259M251-T255 WeakPolarHBondContact O-CB 3.47Å; M251-T255 PolarHBondContact O-N 3.29Å; M251-T255 PolarHBondContact O-OG1 3.04Å; T253-T255 VanDerWaalsContact C-N 3.28Å; T253-T255 PolarHBondContact O-N 3.02Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.87Å; T255-R258 PolarHBondContact O-N 2.97Å; T255-R259 WeakPolarHBondContact O-CG 3.33Å; T255-R259 PolarHBondContact O-N 3.11Å; T255-R259 VanDerWaalsContact O-N 3.11Å
256A98.9Very high98.6Very high0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-60-44.3178.200000111.8Q203 T206 E207 V234 A252 T253 R259 T260Q203-A256 HydrophobicContact CG-CB 4.05Å; T206-A256 HydrophobicContact CG2-CB 4.16Å; E207-A256 HydrophobicContact CG-CB 3.81Å; V234-A256 HydrophobicContact CG2-CB 3.95Å; A252-A256 WeakPolarHBondContact O-CB 3.32Å; A252-A256 PolarHBondContact O-N 3.08Å; T253-A256 PolarHBondContact O-N 2.95Å; A256-R259 PolarHBondContact O-N 3.5Å; A256-T260 PolarHBondContact O-N 2.83Å; A256-T260 PolarHBondContact O-OG1 2.71Å
257L98.9Very high98.7Very high4 Ų439.5 Ų39.52%0.02120%0.199CC..Hα-helixtrans-63.9-47.1177-62.8173.8000111.4L210 L229 P231 T253 T255 R259 T260 V261 V268 F270 W296 L298L210-L257 HydrophobicContact CD1-CD2 3.8Å; L229-L257 HydrophobicContact CD2-CD2 4.05Å; P231-L257 HydrophobicContact CG-CD2 4.29Å; T253-L257 HydrophobicContact CG2-CD1 4.22Å; T253-L257 WeakPolarHBondContact O-CG 3.5Å; T253-L257 PolarHBondContact O-N 3.31Å; T253-L257 VanDerWaalsContact O-N 3.08Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.87Å; L257-R259 PolarHBondContact O-N 3.33Å; L257-R259 VanDerWaalsContact O-N 3.14Å; L257-T260 PolarHBondContact O-N 2.55Å; L257-T260 PolarHBondContact O-OG1 3.44Å; L257-V261 HydrophobicContact CB-CG2 4.08Å; L257-V261 HydrophobicContact CD2-CG2 3.71Å; L257-V261 WeakPolarHBondContact O-CB 3.41Å; L257-V261 PolarHBondContact O-N 3.17Å; L257-V268 HydrophobicContact CD1-CG1 4.15Å; L257-V268 HydrophobicContact CD2-CG1 4.39Å; L257-F270 HydrophobicContact CD1-CE1 4.05Å; L257-F270 HydrophobicContact CD1-CZ 3.72Å; L257-W296 HydrophobicContact CB-CH2 4.46Å; L257-W296 HydrophobicContact CB-CZ3 3.8Å; L257-W296 WeakPolarHBondContact O-CH2 3.5Å; L257-L298 HydrophobicContact CD1-CD2 3.69Å
258R98.7Very high98.8Very high112 Ų11233.7 Ų33.742%0.42317%0.172SC..Hα-helixtrans-57.1-28.5177.1-77.3170.157.3694.7113.9V254 T255 P293V254-R258 HydrophobicContact CG1-CG 4.24Å; V254-R258 WeakPolarHBondContact O-CB 3.39Å; V254-R258 WeakPolarHBondContact O-CD 3.31Å; V254-R258 WeakPolarHBondContact O-CG 3.26Å; V254-R258 PolarHBondContact O-N 3.32Å; T255-R258 PolarHBondContact O-N 2.97Å; R258-P293 WeakPolarHBondContact CD-O 3.27Å; R258-P293 PolarHBondContact NH1-O 3.43Å
259R98.8Very high98.8Very high161 Ų16129.5 Ų29.561%0.60815%0.152SC*.THydrogen-bonded Turntrans-83.9-12179.4-74.7171.5172.3176.2-0.9113.9E207 T255 A256 L257E207-R259 VanDerWaalsContact CD-CD 3.46Å; E207-R259 WeakPolarHBondContact OE1-CD 3.18Å; E207-R259 IonicContact OE1-CZ 3.68Å; E207-R259 IonicContact OE1-NE 3.85Å; E207-R259 IonicContact OE1-NH1 3.71Å; E207-R259 PolarHBondContact OE1-NH1 3.01Å; E207-R259 WeakPolarHBondContact OE2-CD 3.13Å; E207-R259 IonicContact OE2-NH1 2.76Å; E207-R259 PolarHBondContact OE2-NH1 3.31Å; T255-R259 WeakPolarHBondContact O-CG 3.33Å; T255-R259 PolarHBondContact O-N 3.11Å; T255-R259 VanDerWaalsContact O-N 3.11Å; A256-R259 PolarHBondContact O-N 3.5Å; L257-R259 PolarHBondContact O-N 3.33Å; L257-R259 VanDerWaalsContact O-N 3.14Å
260T98.9Very high98.8Very high20 Ų2029.1 Ų29.112%0.12315%0.15CC..THydrogen-bonded Turntrans-137.3-35.7-164.854.20000115.1E207 L210 A211 Y214 A256 L257 P262E207-T260 HydrophobicContact CB-CG2 4.26Å; E207-T260 HydrophobicContact CG-CG2 4.47Å; E207-T260 WeakPolarHBondContact O-CG2 3.32Å; L210-T260 HydrophobicContact CB-CG2 4.06Å; L210-T260 WeakPolarHBondContact CB-OG1 3.49Å; A211-T260 HydrophobicContact CB-CG2 4.34Å; Y214-T260 WeakPolarHBondContact CD2-O 3.39Å; A256-T260 PolarHBondContact O-N 2.83Å; A256-T260 PolarHBondContact O-OG1 2.71Å; L257-T260 PolarHBondContact O-N 2.55Å; L257-T260 PolarHBondContact O-OG1 3.44Å; T260-P262 WeakPolarHBondContact O-CD 3.09Å
261V98.9Very high98.8Very high8 Ų829.6 Ų29.65%0.04815%0.152CC..SBendtrans-84.9126.8-176.1-177.80000109L210 Y214 L229 L257 V265 W296L210-V261 HydrophobicContact CD1-CG2 4.42Å; Y214-V261 HydrophobicContact CE2-CB 4.04Å; Y214-V261 HydrophobicContact CE2-CG1 4.15Å; Y214-V261 HydrophobicContact CE2-CG2 3.71Å; Y214-V261 WeakPolarHBondContact OH-CG1 3.48Å; L229-V261 HydrophobicContact CD2-CG2 3.88Å; L257-V261 HydrophobicContact CB-CG2 4.08Å; L257-V261 HydrophobicContact CD2-CG2 3.71Å; L257-V261 WeakPolarHBondContact O-CB 3.41Å; L257-V261 PolarHBondContact O-N 3.17Å; V261-V265 HydrophobicContact CG1-CB 3.99Å; V261-V265 HydrophobicContact CG1-CG1 4.47Å; V261-V265 HydrophobicContact CG1-CG2 3.94Å; V261-W296 HydrophobicContact CB-CH2 3.7Å; V261-W296 HydrophobicContact CB-CZ2 3.6Å; V261-W296 HydrophobicContact CB-CZ3 4.21Å; V261-W296 HydrophobicContact CG1-CD2 3.98Å; V261-W296 VanDerWaalsContact CG1-CE2 3.49Å; V261-W296 HydrophobicContact CG1-CE3 4.46Å; V261-W296 HydrophobicContact CG1-CH2 4.16Å; V261-W296 HydrophobicContact CG1-CZ2 3.66Å; V261-W296 WeakPolarHBondContact O-CZ2 3.33Å
262P98.9Very high98.7Very high41 Ų4126.1 Ų26.127%0.26614%0.136SC..  trans-69.8143.8172.3-2436.7000112.3Y214 L224 T260 A264 V265 W296Y214-P262 HydrophobicContact CD1-CG 3.97Å; Y214-P262 HydrophobicContact CE1-CG 4.5Å; Y214-P262 HydrophobicContact CG-CG 4.22Å; L224-P262 HydrophobicContact CD1-CB 3.87Å; L224-P262 HydrophobicContact CD1-CG 3.75Å; T260-P262 WeakPolarHBondContact O-CD 3.09Å; P262-A264 PolarHBondContact O-N 3.42Å; P262-V265 PolarHBondContact O-N 3.11Å; P262-V265 VanDerWaalsContact O-N 3.15Å; P262-W296 PolarHBondContact O-NE1 3.19Å
263P98.8Very high98.4Very high97 Ų9726.4 Ų26.463%0.6314%0.139SC*.THydrogen-bonded Turntrans-53.7-20.1175.6-29.137000115.9V265 P295P263-V265 VanDerWaalsContact C-N 3.27Å; P263-V265 PolarHBondContact O-N 2.95Å; P263-P295 HydrophobicContact CB-CB 4.19Å; P263-P295 HydrophobicContact CB-CG 4.18Å; P263-P295 HydrophobicContact CG-CG 4.25Å
264A98.9Very high98Very high36 Ų3626.8 Ų26.830%0.29814%0.143SC..THydrogen-bonded Turntrans-67.8-21.7178.800000114L224 E225 P262L224-A264 HydrophobicContact CB-CB 4Å; L224-A264 HydrophobicContact CD1-CB 4.45Å; E225-A264 VanDerWaalsContact CA-O 3.27Å; E225-A264 WeakPolarHBondContact CA-O 3.49Å; E225-A264 HydrophobicContact CG-CB 4.23Å; E225-A264 WeakPolarHBondContact CG-O 3.48Å; E225-A264 PolarHBondContact N-O 2.89Å; P262-A264 PolarHBondContact O-N 3.42Å
265V98.9Very high97.7Very high0 Ų027.5 Ų27.50%015%0.147CC..  trans-69.7122.9178.1178.50000109.3Y214 L224 V261 P262 P263 G267Y214-V265 HydrophobicContact CE1-CG2 3.56Å; L224-V265 HydrophobicContact CB-CG2 4.17Å; L224-V265 HydrophobicContact CD1-CG2 4.43Å; V261-V265 HydrophobicContact CG1-CB 3.99Å; V261-V265 HydrophobicContact CG1-CG1 4.47Å; V261-V265 HydrophobicContact CG1-CG2 3.94Å; P262-V265 PolarHBondContact O-N 3.11Å; P262-V265 VanDerWaalsContact O-N 3.15Å; P263-V265 VanDerWaalsContact C-N 3.27Å; P263-V265 PolarHBondContact O-N 2.95Å; V265-G267 VanDerWaalsContact C-N 3.34Å; V265-G267 PolarHBondContact O-N 2.96Å
266P98.8Very high97.6Very high21 Ų2126.6 Ų26.614%0.13614%0.142CC..  trans-71.4-29.1-172.726-33.1000113.1A20 L21 L224 E225 T227 L228 A297A20-P266 HydrophobicContact CB-CG 3.64Å; L21-P266 HydrophobicContact CD2-CB 3.81Å; L21-P266 HydrophobicContact CG-CB 4.37Å; L224-P266 WeakPolarHBondContact O-CD 3.47Å; E225-P266 WeakPolarHBondContact O-CG 3.36Å; T227-P266 WeakPolarHBondContact O-CD 3.09Å; T227-P266 WeakPolarHBondContact O-CG 3.25Å; L228-P266 HydrophobicContact CD2-CG 3.96Å; P266-A297 PolarHBondContact O-N 3.14Å; P266-A297 VanDerWaalsContact O-N 3.08Å
267G98.8Very high97.4Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-161.9155.2-178.100000115.6L229 V265 A297L229-G267 PolarHBondContact N-O 2.98Å; V265-G267 VanDerWaalsContact C-N 3.34Å; V265-G267 PolarHBondContact O-N 2.96Å; G267-A297 CarbonylContact C-O 3.24Å; G267-A297 WeakPolarHBondContact CA-O 3.19Å
268V99Very high97.3Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-117.2118.1174.3-178.80000107.6L229 P231 L257 F270 W296 A297 L298 T299L229-V268 HydrophobicContact CB-CG2 4.38Å; L229-V268 HydrophobicContact CD2-CG1 4.39Å; L229-V268 HydrophobicContact CD2-CG2 4.41Å; L229-V268 CarbonylContact O-C 3.53Å; L229-V268 VanDerWaalsContact O-CA 3.28Å; L229-V268 WeakPolarHBondContact O-CA 3.5Å; P231-V268 VanDerWaalsContact CD-CG1 3.49Å; P231-V268 HydrophobicContact CG-CG1 3.51Å; L257-V268 HydrophobicContact CD1-CG1 4.15Å; L257-V268 HydrophobicContact CD2-CG1 4.39Å; V268-F270 HydrophobicContact CG1-CD1 4.35Å; V268-F270 HydrophobicContact CG1-CE1 3.95Å; V268-F270 HydrophobicContact CG1-CE2 4.26Å; V268-F270 HydrophobicContact CG1-CZ 3.91Å; V268-W296 HydrophobicContact CG2-CB 4.47Å; V268-W296 HydrophobicContact CG2-CE3 4.48Å; V268-A297 PolarHBondContact N-O 3.06Å; V268-L298 HydrophobicContact CB-CD2 3.86Å; V268-L298 HydrophobicContact CG1-CD2 4.27Å; V268-L298 HydrophobicContact CG2-CD2 4.28Å; V268-T299 PolarHBondContact O-N 3.08Å
269T98.9Very high97.1Very high0 Ų025.5 Ų25.50%014%0.141CC..EExtended strand (participates in β ladder)trans-114.582.2-17353.80000109.8V24 I30 L228 L229 K230 L271 T299 S301V24-T269 HydrophobicContact CG1-CG2 3.59Å; I30-T269 HydrophobicContact CD1-CG2 3.7Å; I30-T269 HydrophobicContact CG1-CG2 4.39Å; L228-T269 HydrophobicContact CD1-CG2 4.48Å; L229-T269 PolarHBondContact O-N 3.45Å; L229-T269 PolarHBondContact O-OG1 2.67Å; K230-T269 WeakPolarHBondContact CA-O 3.36Å; K230-T269 WeakPolarHBondContact CB-O 3.38Å; K230-T269 VanDerWaalsContact CG-O 3.26Å; K230-T269 WeakPolarHBondContact CG-O 3.4Å; T269-L271 PolarHBondContact O-N 2.81Å; T269-T299 CarbonylContact C-O 3.5Å; T269-T299 WeakPolarHBondContact CA-O 3.36Å; T269-T299 HydrophobicContact CG2-CG2 3.48Å; T269-T299 VanDerWaalsContact CG2-CG2 3.48Å; T269-S301 WeakPolarHBondContact O-CB 3.38Å
270F98.9Very high97Very high0 Ų017.9 Ų17.90%011%0.112CC..EExtended strand (participates in β ladder)trans-53.5138.6-170.2-64.7-76.6000113.4P231 M233 T253 L257 V268 L284 I287 L298 T299 S301 Y302P231-F270 HydrophobicContact CG-CD1 3.9Å; P231-F270 HydrophobicContact CG-CE1 3.95Å; M233-F270 HydrophobicContact CE-CB 3.88Å; M233-F270 HydrophobicContact CE-CD2 4.21Å; M233-F270 HydrophobicContact CE-CG 4.01Å; M233-F270 HydrophobicContact CG-CB 4.19Å; M233-F270 HydrophobicContact CG-CD1 3.71Å; M233-F270 HydrophobicContact CG-CE1 4.28Å; M233-F270 HydrophobicContact CG-CG 3.97Å; T253-F270 HydrophobicContact CG2-CE1 3.48Å; T253-F270 VanDerWaalsContact CG2-CE1 3.48Å; T253-F270 HydrophobicContact CG2-CZ 3.68Å; L257-F270 HydrophobicContact CD1-CE1 4.05Å; L257-F270 HydrophobicContact CD1-CZ 3.72Å; V268-F270 HydrophobicContact CG1-CD1 4.35Å; V268-F270 HydrophobicContact CG1-CE1 3.95Å; V268-F270 HydrophobicContact CG1-CE2 4.26Å; V268-F270 HydrophobicContact CG1-CZ 3.91Å; F270-L284 HydrophobicContact CD2-CD1 3.96Å; F270-L284 HydrophobicContact CE2-CD1 4.32Å; F270-I287 HydrophobicContact CD2-CD1 4.47Å; F270-I287 HydrophobicContact CE1-CD1 4.49Å; F270-I287 HydrophobicContact CE2-CD1 4.04Å; F270-I287 HydrophobicContact CE2-CG2 3.92Å; F270-I287 HydrophobicContact CZ-CD1 4.04Å; F270-I287 HydrophobicContact CZ-CG2 4.15Å; F270-L298 HydrophobicContact CE2-CB 4.22Å; F270-L298 HydrophobicContact CE2-CD2 3.71Å; F270-L298 HydrophobicContact CZ-CD2 3.69Å; F270-T299 VanDerWaalsContact CD2-O 3.27Å; F270-T299 WeakPolarHBondContact CD2-O 3.47Å; F270-T299 PolarHBondContact N-O 2.98Å; F270-S301 CarbonylContact O-C 3.47Å; F270-S301 PolarHBondContact O-N 3.06Å; F270-Y302 HydrophobicContact CB-CE1 4.34Å; F270-Y302 WeakPolarHBondContact O-CD1 3.31Å; F270-Y302 WeakPolarHBondContact O-CE1 3.39Å
271L98.4Very high97Very high10 Ų1016.9 Ų16.95%0.05211%0.106CC..BIsolated β-bridgetrans-76.2145.4161.76393.6000109.8E188 E190 K230 P231 N232 T269 G273E188-L271 HydrophobicContact CG-CD2 4.15Å; E190-L271 HydrophobicContact CB-CD2 3.65Å; E190-L271 HydrophobicContact CG-CD1 3.99Å; E190-L271 HydrophobicContact CG-CD2 3.61Å; E190-L271 HydrophobicContact CG-CG 4.48Å; K230-L271 HydrophobicContact CG-CB 4.14Å; K230-L271 HydrophobicContact CG-CD2 4.41Å; P231-L271 WeakPolarHBondContact O-CG 3.47Å; P231-L271 PolarHBondContact O-N 3.15Å; P231-L271 VanDerWaalsContact O-N 3.14Å; N232-L271 HydrophobicContact CB-CD1 4.19Å; N232-L271 HydrophobicContact CB-CG 4.5Å; T269-L271 PolarHBondContact O-N 2.81Å; L271-G273 VanDerWaalsContact C-N 3.34Å
272S97Very high96.9Very high6 Ų620.1 Ų20.14%0.04212%0.12CC..  trans-78.9-19.6177.466.60000112.8G274 Q275 A305S272-G274 PolarHBondContact O-N 2.74Å; S272-Q275 VanDerWaalsContact O-CB 3.27Å; S272-Q275 WeakPolarHBondContact O-CB 3.5Å; S272-Q275 VanDerWaalsContact O-CG 3.3Å; S272-Q275 WeakPolarHBondContact O-CG 3.49Å; S272-Q275 PolarHBondContact O-N 3.02Å; S272-Q275 VanDerWaalsContact O-N 3.08Å; S272-Q275 PolarHBondContact O-NE2 2.83Å; S272-Q275 VanDerWaalsContact O-NE2 3.12Å; S272-A305 VanDerWaalsContact CB-CB 3.48Å
273G92.5Very high96.9Very high10 Ų1018.3 Ų18.310%0.10311%0.108CC..THydrogen-bonded Turntrans56.9-129.2-174.300000110.5L271 R304L271-G273 VanDerWaalsContact C-N 3.34Å; G273-R304 PolarHBondContact O-NE 3.03Å; G273-R304 PolarHBondContact O-NH2 3.22Å
274G89.1Confident96.9Very high10 Ų1013.7 Ų13.710%0.1038%0.078CC..THydrogen-bonded Turntrans-92.75.2176.200000115.7S272 S356 L357 Y358S272-G274 PolarHBondContact O-N 2.74Å; G274-S356 PolarHBondContact O-OG 3.44Å; G274-L357 CarbonylContact O-C 3.56Å; G274-L357 PolarHBondContact O-N 3.47Å; G274-Y358 PolarHBondContact O-N 2.74Å
275Q93.8Very high96.8Very high17 Ų1712.4 Ų12.48%0.0797%0.066CC..  trans-61.2149.7-179.9-65.9173.676.600110.9S272 E279 A280 N283 L357S272-Q275 VanDerWaalsContact O-CB 3.27Å; S272-Q275 WeakPolarHBondContact O-CB 3.5Å; S272-Q275 VanDerWaalsContact O-CG 3.3Å; S272-Q275 WeakPolarHBondContact O-CG 3.49Å; S272-Q275 PolarHBondContact O-N 3.02Å; S272-Q275 VanDerWaalsContact O-N 3.08Å; S272-Q275 PolarHBondContact O-NE2 2.83Å; S272-Q275 VanDerWaalsContact O-NE2 3.12Å; Q275-E279 WeakPolarHBondContact CA-OE2 3.33Å; Q275-E279 HydrophobicContact CB-CB 4.27Å; Q275-E279 HydrophobicContact CB-CG 4.13Å; Q275-E279 HydrophobicContact CG-CG 4.14Å; Q275-A280 HydrophobicContact CB-CB 4.09Å; Q275-N283 PolarHBondContact OE1-ND2 2.87Å; Q275-L357 WeakPolarHBondContact O-CB 3.17Å; Q275-L357 WeakPolarHBondContact O-CD1 3.36Å
276S95.2Very high96.8Very high6 Ų612.8 Ų12.84%0.0427%0.069CC..  trans-63.5165.8168.673.90000111.2E278 E279 A280 A353 A354 Q355S276-E278 PolarHBondContact O-N 3.45Å; S276-E279 PolarHBondContact N-OE2 3.3Å; S276-E279 WeakPolarHBondContact OG-CB 3.48Å; S276-E279 PolarHBondContact OG-N 3.22Å; S276-A280 WeakPolarHBondContact O-CB 3.18Å; S276-A280 PolarHBondContact O-N 2.91Å; S276-A280 VanDerWaalsContact O-N 3.08Å; S276-A353 WeakPolarHBondContact CB-O 3.4Å; S276-A353 PolarHBondContact OG-O 2.83Å; S276-A354 VanDerWaalsContact CB-C 3.47Å; S276-A354 WeakPolarHBondContact CB-O 3.45Å; S276-A354 PolarHBondContact OG-O 2.97Å; S276-Q355 WeakPolarHBondContact CA-O 3.5Å; S276-Q355 WeakPolarHBondContact CB-O 3.16Å
277E96.3Very high96.8Very high1 Ų111.8 Ų11.81%0.0056%0.063CC..Hα-helixtrans-58.6-41.7175.8-59.9-172.3138.700110.3S281 A308 S309 R331 A353 L357E277-S281 PolarHBondContact O-N 3.21Å; E277-S281 PolarHBondContact O-OG 2.93Å; E277-A308 HydrophobicContact CG-CB 4.01Å; E277-A308 WeakPolarHBondContact OE1-CB 3.43Å; E277-A308 PolarHBondContact OE1-N 3.34Å; E277-A308 VanDerWaalsContact OE1-N 3.08Å; E277-S309 PolarHBondContact OE1-N 3.25Å; E277-S309 VanDerWaalsContact OE2-CB 3.26Å; E277-S309 WeakPolarHBondContact OE2-CB 3.47Å; E277-S309 PolarHBondContact OE2-OG 2.94Å; E277-R331 PolarHBondContact O-NH2 3.33Å; E277-A353 HydrophobicContact CB-CB 4.08Å; E277-A353 PolarHBondContact N-O 3.03Å; E277-L357 HydrophobicContact CG-CD1 4.08Å
278E95Very high96.8Very high12 Ų1213 Ų136%0.0567%0.069CC..Hα-helixtrans-74-44.1-177.3-163.667.517600113.2S276 A280 S281 F282 R331 Y343 S346 A353S276-E278 PolarHBondContact O-N 3.45Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 2.84Å; E278-S281 PolarHBondContact O-N 3Å; E278-S281 VanDerWaalsContact O-N 3.16Å; E278-F282 HydrophobicContact CG-CD2 3.79Å; E278-F282 HydrophobicContact CG-CE2 3.52Å; E278-F282 WeakPolarHBondContact O-CD2 3.4Å; E278-F282 PolarHBondContact O-N 3.14Å; E278-F282 WeakPolarHBondContact OE1-CE2 3.39Å; E278-R331 IonicContact OE2-CZ 3.49Å; E278-R331 IonicContact OE2-NH1 2.83Å; E278-R331 PolarHBondContact OE2-NH1 2.75Å; E278-R331 IonicContact OE2-NH2 2.75Å; E278-R331 PolarHBondContact OE2-NH2 2.84Å; E278-Y343 VanDerWaalsContact CD-OH 3.23Å; E278-Y343 PolarHBondContact OE1-OH 3.33Å; E278-Y343 PolarHBondContact OE2-OH 3.27Å; E278-S346 PolarHBondContact OE1-OG 3.31Å; E278-A353 HydrophobicContact CB-CB 4.43Å; E278-A353 WeakPolarHBondContact CB-O 3.36Å; E278-A353 PolarHBondContact N-O 3.08Å
279E95.4Very high96.7Very high80 Ų8019.3 Ų19.337%0.3749%0.093SC..Hα-helixtrans-58.8-44.5175.8-179.7-177.4-16400111.3Q275 S276 S281 F282 N283Q275-E279 WeakPolarHBondContact CA-OE2 3.33Å; Q275-E279 HydrophobicContact CB-CB 4.27Å; Q275-E279 HydrophobicContact CB-CG 4.13Å; Q275-E279 HydrophobicContact CG-CG 4.14Å; S276-E279 PolarHBondContact N-OE2 3.3Å; S276-E279 WeakPolarHBondContact OG-CB 3.48Å; S276-E279 PolarHBondContact OG-N 3.22Å; E279-S281 VanDerWaalsContact C-N 3.27Å; E279-S281 PolarHBondContact O-N 3.45Å; E279-F282 PolarHBondContact O-N 2.98Å; E279-N283 WeakPolarHBondContact O-CB 3.06Å; E279-N283 PolarHBondContact O-N 3.06Å; E279-N283 PolarHBondContact O-ND2 3.44Å
280A97.5Very high96.7Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-62-34.6178.500000112.5Q275 S276 E278 L284 Y302 A305Q275-A280 HydrophobicContact CB-CB 4.09Å; S276-A280 WeakPolarHBondContact O-CB 3.18Å; S276-A280 PolarHBondContact O-N 2.91Å; S276-A280 VanDerWaalsContact O-N 3.08Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 2.84Å; A280-L284 VanDerWaalsContact O-CB 3.28Å; A280-L284 WeakPolarHBondContact O-CB 3.19Å; A280-L284 PolarHBondContact O-N 3.08Å; A280-L284 VanDerWaalsContact O-N 3.16Å; A280-Y302 HydrophobicContact CB-CD2 4.4Å; A280-Y302 HydrophobicContact CB-CE2 3.68Å; A280-Y302 PolarHBondContact O-OH 3.36Å; A280-A305 HydrophobicContact CB-CB 3.68Å
281S97.6Very high96.6Very high0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-73.6-44.8176.2-62.10000112.1E277 E278 E279 L284 N285 R331 V334 N335 A338E277-S281 PolarHBondContact O-N 3.21Å; E277-S281 PolarHBondContact O-OG 2.93Å; E278-S281 PolarHBondContact O-N 3Å; E278-S281 VanDerWaalsContact O-N 3.16Å; E279-S281 VanDerWaalsContact C-N 3.27Å; E279-S281 PolarHBondContact O-N 3.45Å; S281-L284 PolarHBondContact O-N 3.4Å; S281-N285 VanDerWaalsContact O-CB 3.28Å; S281-N285 WeakPolarHBondContact O-CB 3.13Å; S281-N285 PolarHBondContact O-N 3.43Å; S281-R331 PolarHBondContact OG-NH2 3.45Å; S281-V334 VanDerWaalsContact OG-CG1 3.31Å; S281-V334 WeakPolarHBondContact OG-CG1 3.49Å; S281-N335 PolarHBondContact OG-OD1 2.76Å; S281-N335 VanDerWaalsContact OG-OD1 3.06Å; S281-A338 WeakPolarHBondContact O-CB 3.48Å
282F97Very high96.6Very high75 Ų7527.1 Ų27.133%0.32914%0.141SC..Hα-helixtrans-62.8-45.4177.2-83.1-59.3000112P246 E278 E279 N285 A286 Y343P246-F282 HydrophobicContact CG-CB 4.45Å; E278-F282 HydrophobicContact CG-CD2 3.79Å; E278-F282 HydrophobicContact CG-CE2 3.52Å; E278-F282 WeakPolarHBondContact O-CD2 3.4Å; E278-F282 PolarHBondContact O-N 3.14Å; E278-F282 WeakPolarHBondContact OE1-CE2 3.39Å; E279-F282 PolarHBondContact O-N 2.98Å; F282-N285 WeakPolarHBondContact O-CB 3.36Å; F282-N285 PolarHBondContact O-N 3.25Å; F282-A286 WeakPolarHBondContact O-CB 3.23Å; F282-A286 PolarHBondContact O-N 2.76Å; F282-Y343 HydrophobicContact CD1-CD1 4.32Å; F282-Y343 HydrophobicContact CD1-CE1 4.16Å; F282-Y343 HydrophobicContact CE1-CD1 4.42Å; F282-Y343 HydrophobicContact CE1-CE1 4.04Å; F282-Y343 HydrophobicContact CG-CE1 4.46Å; F282-Y343 HydrophobicContact CZ-CE1 4.25Å
283N98.2Very high96.6Very high4 Ų430.9 Ų30.92%0.02117%0.166CC..Hα-helixtrans-64.2-43.4178.2-73.7-25.7000111.6M233 P246 I249 Q275 E279 N285 A286 I287M233-N283 HydrophobicContact CE-CB 4.3Å; M233-N283 HydrophobicContact SD-CB 3.6Å; M233-N283 VanDerWaalsContact SD-CB 3.6Å; P246-N283 WeakPolarHBondContact CA-OD1 3.45Å; P246-N283 WeakPolarHBondContact CB-OD1 3.49Å; I249-N283 HydrophobicContact CG2-CB 4.34Å; Q275-N283 PolarHBondContact OE1-ND2 2.87Å; E279-N283 WeakPolarHBondContact O-CB 3.06Å; E279-N283 PolarHBondContact O-N 3.06Å; E279-N283 PolarHBondContact O-ND2 3.44Å; N283-N285 VanDerWaalsContact C-N 3.32Å; N283-N285 PolarHBondContact O-N 3.06Å; N283-A286 PolarHBondContact O-N 3.45Å; N283-I287 WeakPolarHBondContact O-CB 3.3Å; N283-I287 WeakPolarHBondContact O-CD1 3.43Å; N283-I287 VanDerWaalsContact O-CG1 3.23Å; N283-I287 WeakPolarHBondContact O-CG1 3.33Å; N283-I287 PolarHBondContact O-N 2.9Å
284L98.8Very high96.9Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-62-40175.2178.461000112.4M233 F270 A280 S281 I287 N288 F300 A338 A339M233-L284 HydrophobicContact CE-CB 4.01Å; F270-L284 HydrophobicContact CD2-CD1 3.96Å; F270-L284 HydrophobicContact CE2-CD1 4.32Å; A280-L284 VanDerWaalsContact O-CB 3.28Å; A280-L284 WeakPolarHBondContact O-CB 3.19Å; A280-L284 PolarHBondContact O-N 3.08Å; A280-L284 VanDerWaalsContact O-N 3.16Å; S281-L284 PolarHBondContact O-N 3.4Å; L284-I287 WeakPolarHBondContact O-CB 3.27Å; L284-I287 PolarHBondContact O-N 3.17Å; L284-N288 PolarHBondContact O-N 2.78Å; L284-N288 VanDerWaalsContact O-N 3.09Å; L284-N288 PolarHBondContact O-ND2 2.72Å; L284-N288 VanDerWaalsContact O-ND2 3.08Å; L284-F300 HydrophobicContact CD2-CB 3.97Å; L284-F300 HydrophobicContact CD2-CD1 3.8Å; L284-F300 HydrophobicContact CD2-CG 4.33Å; L284-A338 HydrophobicContact CB-CB 4.14Å; L284-A338 HydrophobicContact CD2-CB 4Å; L284-A338 HydrophobicContact CG-CB 4.03Å; L284-A339 HydrophobicContact CD2-CB 4.35Å
285N98.4Very high97.3Very high8 Ų837.1 Ų37.14%0.04319%0.192CC..Hα-helixtrans-64.2-46.1176.5-174.165.5000111.6S281 F282 N283 I287 N288 R289 A338 G341 K342 Y343S281-N285 VanDerWaalsContact O-CB 3.28Å; S281-N285 WeakPolarHBondContact O-CB 3.13Å; S281-N285 PolarHBondContact O-N 3.43Å; F282-N285 WeakPolarHBondContact O-CB 3.36Å; F282-N285 PolarHBondContact O-N 3.25Å; N283-N285 VanDerWaalsContact C-N 3.32Å; N283-N285 PolarHBondContact O-N 3.06Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 3.47Å; N285-N288 CarbonylContact O-C 3.41Å; N285-N288 PolarHBondContact O-N 3.26Å; N285-N288 VanDerWaalsContact O-N 3.17Å; N285-R289 WeakPolarHBondContact O-CG 3.33Å; N285-R289 PolarHBondContact O-N 3.28Å; N285-A338 WeakPolarHBondContact CA-O 3.12Å; N285-A338 HydrophobicContact CB-CB 3.95Å; N285-G341 WeakPolarHBondContact OD1-CA 3.2Å; N285-K342 PolarHBondContact OD1-N 3.27Å; N285-K342 VanDerWaalsContact OD1-N 3.16Å; N285-Y343 HydrophobicContact CB-CD1 4.47Å; N285-Y343 VanDerWaalsContact CG-O 3.31Å; N285-Y343 PolarHBondContact ND2-O 3.39Å; N285-Y343 PolarHBondContact OD1-N 3.44Å; N285-Y343 PolarHBondContact OD1-O 3.48Å
286A98.3Very high97.5Very high8 Ų837.2 Ų37.27%0.06619%0.192CC..Hα-helixtrans-61.7-40.5175.600000111.6P246 A250 F282 N283 N288 R289 C290P246-A286 HydrophobicContact CB-CB 3.76Å; P246-A286 WeakPolarHBondContact O-CB 3.45Å; A250-A286 HydrophobicContact CB-CB 3.76Å; A250-A286 WeakPolarHBondContact CB-O 3.31Å; F282-A286 WeakPolarHBondContact O-CB 3.23Å; F282-A286 PolarHBondContact O-N 2.76Å; N283-A286 PolarHBondContact O-N 3.45Å; A286-N288 VanDerWaalsContact C-N 3.29Å; A286-N288 PolarHBondContact O-N 3.42Å; A286-R289 CarbonylContact O-C 3.49Å; A286-R289 PolarHBondContact O-N 2.85Å; A286-C290 PolarHBondContact O-N 2.54Å
287I98.8Very high97.7Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-56.6-42.8173.7-75.6163.6000111.1M233 A250 T253 V254 F270 N283 L284 N285 C290 R294 L298M233-I287 HydrophobicContact CE-CD1 3.87Å; M233-I287 HydrophobicContact CG-CD1 3.91Å; M233-I287 HydrophobicContact SD-CD1 3.85Å; A250-I287 HydrophobicContact CB-CB 4.46Å; A250-I287 HydrophobicContact CB-CG1 3.94Å; T253-I287 HydrophobicContact CG2-CD1 3.88Å; T253-I287 HydrophobicContact CG2-CG1 4.31Å; V254-I287 HydrophobicContact CG2-CG2 3.95Å; F270-I287 HydrophobicContact CD2-CD1 4.47Å; F270-I287 HydrophobicContact CE1-CD1 4.49Å; F270-I287 HydrophobicContact CE2-CD1 4.04Å; F270-I287 HydrophobicContact CE2-CG2 3.92Å; F270-I287 HydrophobicContact CZ-CD1 4.04Å; F270-I287 HydrophobicContact CZ-CG2 4.15Å; N283-I287 WeakPolarHBondContact O-CB 3.3Å; N283-I287 WeakPolarHBondContact O-CD1 3.43Å; N283-I287 VanDerWaalsContact O-CG1 3.23Å; N283-I287 WeakPolarHBondContact O-CG1 3.33Å; N283-I287 PolarHBondContact O-N 2.9Å; L284-I287 WeakPolarHBondContact O-CB 3.27Å; L284-I287 PolarHBondContact O-N 3.17Å; N285-I287 VanDerWaalsContact C-N 3.33Å; N285-I287 PolarHBondContact O-N 3.47Å; I287-C290 WeakPolarHBondContact O-CB 3.32Å; I287-R294 PolarHBondContact O-NH1 2.78Å; I287-L298 HydrophobicContact CG2-CB 4.13Å; I287-L298 HydrophobicContact CG2-CD1 3.9Å; I287-L298 HydrophobicContact CG2-CD2 4.36Å; I287-L298 HydrophobicContact CG2-CG 4.38Å
288N98.6Very high97.8Very high26 Ų2638.6 Ų38.614%0.13920%0.203CC..Hα-helixtrans-78.6-16.5177.2-80.1-71.1000114.2L284 N285 A286 R294 L298 A338 A339L284-N288 PolarHBondContact O-N 2.78Å; L284-N288 VanDerWaalsContact O-N 3.09Å; L284-N288 PolarHBondContact O-ND2 2.72Å; L284-N288 VanDerWaalsContact O-ND2 3.08Å; N285-N288 CarbonylContact O-C 3.41Å; N285-N288 PolarHBondContact O-N 3.26Å; N285-N288 VanDerWaalsContact O-N 3.17Å; A286-N288 VanDerWaalsContact C-N 3.29Å; A286-N288 PolarHBondContact O-N 3.42Å; N288-R294 PolarHBondContact O-NH1 3.07Å; N288-R294 PolarHBondContact O-NH2 3.43Å; N288-L298 PolarHBondContact ND2-O 3.16Å; N288-L298 PolarHBondContact OD1-O 3.45Å; N288-A338 PolarHBondContact ND2-O 3.32Å; N288-A339 PolarHBondContact OD1-O 3.44Å
289R98Very high98Very high133 Ų13338.2 Ų38.250%0.50220%0.201SC..Hα-helixtrans-91-13.1170.8-71.7-178.2172.8-176.8-0.5114.4N285 A286 G341 Y343N285-R289 WeakPolarHBondContact O-CG 3.33Å; N285-R289 PolarHBondContact O-N 3.28Å; A286-R289 CarbonylContact O-C 3.49Å; A286-R289 PolarHBondContact O-N 2.85Å; R289-G341 PolarHBondContact NE-O 3.36Å; R289-G341 PolarHBondContact NH2-O 3.47Å; R289-Y343 PolarHBondContact NH2-O 2.9Å
290C97.2Very high98.2Very high6 Ų634.4 Ų34.44%0.04118%0.183CC..  trans-50.7129.1177.5-1760000112V254 A286 I287 L292 R294V254-C290 HydrophobicContact CB-CB 4.45Å; V254-C290 HydrophobicContact CG2-CB 3.94Å; A286-C290 PolarHBondContact O-N 2.54Å; I287-C290 WeakPolarHBondContact O-CB 3.32Å; C290-L292 PolarHBondContact O-N 3.04Å; C290-R294 VanDerWaalsContact N-NH1 3.11Å; C290-R294 PolarHBondContact O-NH1 3.3Å; C290-R294 PolarHBondContact O-NH2 3.38Å
291P97.7Very high98.3Very high117 Ų11734.4 Ų34.476%0.7618%0.184SC*.SBendtrans-7923.1-172.933.2-37.7000114.1M251M251-P291 HydrophobicContact CE-CG 4.49Å
292L97.7Very high98.3Very high50 Ų5034.4 Ų34.426%0.26218%0.184SC..SBendtrans-102.8149.2178-62.5-177.1000111.5M251 V254 C290 R294M251-L292 HydrophobicContact CE-CG 4.49Å; M251-L292 HydrophobicContact SD-CD1 3.59Å; M251-L292 VanDerWaalsContact SD-CD1 3.59Å; M251-L292 HydrophobicContact SD-CG 4.18Å; V254-L292 HydrophobicContact CG1-CB 3.91Å; V254-L292 HydrophobicContact CG1-CD1 4.18Å; C290-L292 PolarHBondContact O-N 3.04Å; L292-R294 WeakPolarHBondContact O-CG 3.4Å; L292-R294 PolarHBondContact O-N 2.71Å; L292-R294 PolarHBondContact O-NE 3.49Å
293P97.7Very high98.3Very high86 Ų8631.4 Ų31.456%0.55817%0.173SC*.  trans-61.7134.6174.5-19.328.3000112.1R258R258-P293 WeakPolarHBondContact CD-O 3.27Å; R258-P293 PolarHBondContact NH1-O 3.43Å
294R97.9Very high98.2Very high80 Ų8032.2 Ų32.230%0.30218%0.176SC..  trans-132.996.6-177.5-66154.4-48.6-162.7-2.4107.9V254 I287 N288 C290 L292 W296 L298V254-R294 HydrophobicContact CG1-CG 3.71Å; V254-R294 HydrophobicContact CG2-CG 4.48Å; I287-R294 PolarHBondContact O-NH1 2.78Å; N288-R294 PolarHBondContact O-NH1 3.07Å; N288-R294 PolarHBondContact O-NH2 3.43Å; C290-R294 VanDerWaalsContact N-NH1 3.11Å; C290-R294 PolarHBondContact O-NH1 3.3Å; C290-R294 PolarHBondContact O-NH2 3.38Å; L292-R294 WeakPolarHBondContact O-CG 3.4Å; L292-R294 PolarHBondContact O-N 2.71Å; L292-R294 PolarHBondContact O-NE 3.49Å; R294-W296 PolarHBondContact O-N 2.9Å; R294-W296 VanDerWaalsContact O-N 3.13Å; R294-L298 HydrophobicContact CB-CD1 3.71Å; R294-L298 HydrophobicContact CG-CD1 3.57Å
295P98.5Very high98.1Very high70 Ų7032.2 Ų32.246%0.45518%0.176SC..  trans-80.316.5-172.532.7-33.8000113.6P263P263-P295 HydrophobicContact CB-CB 4.19Å; P263-P295 HydrophobicContact CB-CG 4.18Å; P263-P295 HydrophobicContact CG-CG 4.25Å
296W98.8Very high98.1Very high20 Ų2031.9 Ų31.98%0.07617%0.174CC..SBendtrans-134.6157.4-178.1-37.9-59.5000109.6L257 V261 P262 V268 R294L257-W296 HydrophobicContact CB-CH2 4.46Å; L257-W296 HydrophobicContact CB-CZ3 3.8Å; L257-W296 WeakPolarHBondContact O-CH2 3.5Å; V261-W296 HydrophobicContact CB-CH2 3.7Å; V261-W296 HydrophobicContact CB-CZ2 3.6Å; V261-W296 HydrophobicContact CB-CZ3 4.21Å; V261-W296 HydrophobicContact CG1-CD2 3.98Å; V261-W296 VanDerWaalsContact CG1-CE2 3.49Å; V261-W296 HydrophobicContact CG1-CE3 4.46Å; V261-W296 HydrophobicContact CG1-CH2 4.16Å; V261-W296 HydrophobicContact CG1-CZ2 3.66Å; V261-W296 WeakPolarHBondContact O-CZ2 3.33Å; P262-W296 PolarHBondContact O-NE1 3.19Å; V268-W296 HydrophobicContact CG2-CB 4.47Å; V268-W296 HydrophobicContact CG2-CE3 4.48Å; R294-W296 PolarHBondContact O-N 2.9Å; R294-W296 VanDerWaalsContact O-N 3.13Å
297A98.8Very high98.1Very high30 Ų3031.8 Ų31.825%0.24817%0.173CC..EExtended strand (participates in β ladder)trans-62.8136.6163.100000110.3V24 P266 G267 V268V24-A297 HydrophobicContact CB-CB 3.83Å; V24-A297 HydrophobicContact CG2-CB 3.83Å; P266-A297 PolarHBondContact O-N 3.14Å; P266-A297 VanDerWaalsContact O-N 3.08Å; G267-A297 CarbonylContact C-O 3.24Å; G267-A297 WeakPolarHBondContact CA-O 3.19Å; V268-A297 PolarHBondContact N-O 3.06Å
298L98.9Very high97.9Very high6 Ų632.5 Ų32.53%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-119.1100.1175.5-71.6163.2000108.5L257 V268 F270 I287 N288 R294L257-L298 HydrophobicContact CD1-CD2 3.69Å; V268-L298 HydrophobicContact CB-CD2 3.86Å; V268-L298 HydrophobicContact CG1-CD2 4.27Å; V268-L298 HydrophobicContact CG2-CD2 4.28Å; F270-L298 HydrophobicContact CE2-CB 4.22Å; F270-L298 HydrophobicContact CE2-CD2 3.71Å; F270-L298 HydrophobicContact CZ-CD2 3.69Å; I287-L298 HydrophobicContact CG2-CB 4.13Å; I287-L298 HydrophobicContact CG2-CD1 3.9Å; I287-L298 HydrophobicContact CG2-CD2 4.36Å; I287-L298 HydrophobicContact CG2-CG 4.38Å; N288-L298 PolarHBondContact ND2-O 3.16Å; N288-L298 PolarHBondContact OD1-O 3.45Å; R294-L298 HydrophobicContact CB-CD1 3.71Å; R294-L298 HydrophobicContact CG-CD1 3.57Å
299T98.9Very high97.8Very high3 Ų332 Ų322%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-137.8-169.6-170.9-167.30000111V24 K28 G29 V268 T269 F270 A339V24-T299 HydrophobicContact CB-CG2 4.32Å; V24-T299 HydrophobicContact CG1-CG2 3.99Å; K28-T299 WeakPolarHBondContact O-CB 3.36Å; K28-T299 PolarHBondContact O-OG1 3.12Å; G29-T299 WeakPolarHBondContact CA-OG1 3.5Å; V268-T299 PolarHBondContact O-N 3.08Å; T269-T299 CarbonylContact C-O 3.5Å; T269-T299 WeakPolarHBondContact CA-O 3.36Å; T269-T299 HydrophobicContact CG2-CG2 3.48Å; T269-T299 VanDerWaalsContact CG2-CG2 3.48Å; F270-T299 VanDerWaalsContact CD2-O 3.27Å; F270-T299 WeakPolarHBondContact CD2-O 3.47Å; F270-T299 PolarHBondContact N-O 2.98Å; T299-A339 WeakPolarHBondContact OG1-CB 3.43Å
300F98.9Very high97.8Very high0 Ų025.6 Ų25.60%015%0.153CC..EExtended strand (participates in β ladder)trans-105.9149.7-17454.1-81.4000113G29 I30 C73 I74 L284 Y302 L306 N335 A339G29-F300 CarbonylContact C-O 3.15Å; G29-F300 WeakPolarHBondContact CA-O 3.21Å; I30-F300 PolarHBondContact N-O 3.48Å; C73-F300 VanDerWaalsContact O-CZ 3.25Å; C73-F300 WeakPolarHBondContact O-CZ 3.45Å; I74-F300 HydrophobicContact CD1-CE2 3.88Å; I74-F300 HydrophobicContact CD1-CZ 4.24Å; L284-F300 HydrophobicContact CD2-CB 3.97Å; L284-F300 HydrophobicContact CD2-CD1 3.8Å; L284-F300 HydrophobicContact CD2-CG 4.33Å; F300-Y302 HydrophobicContact CB-CD1 3.74Å; F300-Y302 HydrophobicContact CB-CD2 3.7Å; F300-Y302 HydrophobicContact CB-CE1 3.69Å; F300-Y302 HydrophobicContact CB-CE2 3.67Å; F300-Y302 HydrophobicContact CB-CG 3.75Å; F300-Y302 HydrophobicContact CD2-CD2 4.42Å; F300-Y302 HydrophobicContact CD2-CG 4.48Å; F300-Y302 HydrophobicContact CG-CD2 4.32Å; F300-Y302 HydrophobicContact CG-CE2 4.49Å; F300-L306 HydrophobicContact CD2-CD1 3.99Å; F300-L306 HydrophobicContact CE2-CD1 3.9Å; F300-N335 HydrophobicContact CD1-CB 3.69Å; F300-N335 HydrophobicContact CD2-CB 4.25Å; F300-N335 HydrophobicContact CE1-CB 3.55Å; F300-N335 WeakPolarHBondContact CE1-O 3.31Å; F300-N335 HydrophobicContact CE2-CB 4.11Å; F300-N335 HydrophobicContact CG-CB 4.04Å; F300-N335 HydrophobicContact CZ-CB 3.74Å; F300-A339 HydrophobicContact CD1-CB 4.38Å; F300-A339 HydrophobicContact CE1-CB 4.37Å
301S98.9Very high97.8Very high1 Ų125.7 Ų25.71%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-131.880.3157.3-176.50000108.9I30 I78 K230 T269 F270I30-S301 CarbonylContact O-C 3.56Å; I30-S301 WeakPolarHBondContact O-CA 3.28Å; I78-S301 WeakPolarHBondContact CD1-OG 3.12Å; K230-S301 VanDerWaalsContact CE-O 3.29Å; K230-S301 WeakPolarHBondContact CE-O 3.33Å; K230-S301 WeakPolarHBondContact CE-OG 3.29Å; K230-S301 PolarHBondContact NZ-O 2.91Å; K230-S301 PolarHBondContact NZ-OG 2.75Å; T269-S301 WeakPolarHBondContact O-CB 3.38Å; F270-S301 CarbonylContact O-C 3.47Å; F270-S301 PolarHBondContact O-N 3.06Å
302Y98.7Very high97.7Very high0 Ų023.3 Ų23.30%013%0.134CC..EExtended strand (participates in β ladder)trans-104133-166.8-70.4-5.9000111.6I30 A32 M233 F270 A280 F300 A305 N335I30-Y302 PolarHBondContact O-N 3.08Å; A32-Y302 PolarHBondContact N-O 3.48Å; M233-Y302 WeakPolarHBondContact CE-OH 3.45Å; F270-Y302 HydrophobicContact CB-CE1 4.34Å; F270-Y302 WeakPolarHBondContact O-CD1 3.31Å; F270-Y302 WeakPolarHBondContact O-CE1 3.39Å; A280-Y302 HydrophobicContact CB-CD2 4.4Å; A280-Y302 HydrophobicContact CB-CE2 3.68Å; A280-Y302 PolarHBondContact O-OH 3.36Å; F300-Y302 HydrophobicContact CB-CD1 3.74Å; F300-Y302 HydrophobicContact CB-CD2 3.7Å; F300-Y302 HydrophobicContact CB-CE1 3.69Å; F300-Y302 HydrophobicContact CB-CE2 3.67Å; F300-Y302 HydrophobicContact CB-CG 3.75Å; F300-Y302 HydrophobicContact CD2-CD2 4.42Å; F300-Y302 HydrophobicContact CD2-CG 4.48Å; F300-Y302 HydrophobicContact CG-CD2 4.32Å; F300-Y302 HydrophobicContact CG-CE2 4.49Å; Y302-A305 HydrophobicContact CD2-CB 3.6Å; Y302-A305 HydrophobicContact CE2-CB 4.17Å; Y302-A305 HydrophobicContact CG-CB 3.9Å; Y302-N335 VanDerWaalsContact CE2-OD1 3.25Å; Y302-N335 WeakPolarHBondContact CE2-OD1 3.37Å
303G96.6Very high97.7Very high11 Ų1122.3 Ų22.311%0.11313%0.132CC..SBendtrans-95-89.1165.300000108.4A32 A305 L306 Q307A32-G303 VanDerWaalsContact O-CA 3.27Å; A32-G303 WeakPolarHBondContact O-CA 3.48Å; G303-A305 VanDerWaalsContact C-N 3.34Å; G303-A305 PolarHBondContact O-N 3.27Å; G303-L306 PolarHBondContact O-N 3.45Å; G303-Q307 WeakPolarHBondContact O-CB 3.43Å; G303-Q307 WeakPolarHBondContact O-CG 3.24Å; G303-Q307 PolarHBondContact O-N 2.98Å; G303-Q307 VanDerWaalsContact O-N 3.17Å
304R95.3Very high97.7Very high22 Ų2218.3 Ų18.38%0.08311%0.106CC..Hα-helixtrans-36.7-55.3173.4-87.4-176.5-85.1-160.55.9115.4R43 G273 L306 Q307 A308 L357 H362R43-R304 VanDerWaalsContact NH1-CG 3.25Å; G273-R304 PolarHBondContact O-NE 3.03Å; G273-R304 PolarHBondContact O-NH2 3.22Å; R304-L306 PolarHBondContact O-N 3.29Å; R304-L306 VanDerWaalsContact O-N 3.11Å; R304-Q307 PolarHBondContact O-N 3.39Å; R304-A308 WeakPolarHBondContact O-CB 3.49Å; R304-A308 PolarHBondContact O-N 2.89Å; R304-L357 HydrophobicContact CB-CB 4.36Å; R304-L357 HydrophobicContact CB-CD1 3.79Å; R304-L357 WeakPolarHBondContact CD-O 3.23Å; R304-L357 HydrophobicContact CG-CB 4.35Å; R304-L357 HydrophobicContact CG-CD1 4.46Å; R304-L357 PolarHBondContact NH1-O 3.5Å; R304-H362 PolarHBondContact NH2-CD2 2.77Å
305A97Very high97.6Very high0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-69.7-6.7-173.400000114.8S272 A280 Y302 G303S272-A305 VanDerWaalsContact CB-CB 3.48Å; A280-A305 HydrophobicContact CB-CB 3.68Å; Y302-A305 HydrophobicContact CD2-CB 3.6Å; Y302-A305 HydrophobicContact CE2-CB 4.17Å; Y302-A305 HydrophobicContact CG-CB 3.9Å; G303-A305 VanDerWaalsContact C-N 3.34Å; G303-A305 PolarHBondContact O-N 3.27Å
306L98Very high97.5Very high0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-109.1-13.6170-76.3174.3000113.1L31 I74 F300 G303 R304 F328 R331 A332L31-L306 HydrophobicContact CB-CD1 4.28Å; L31-L306 HydrophobicContact CD1-CB 4.15Å; L31-L306 HydrophobicContact CD1-CD1 4.1Å; I74-L306 HydrophobicContact CD1-CD1 4.46Å; F300-L306 HydrophobicContact CD2-CD1 3.99Å; F300-L306 HydrophobicContact CE2-CD1 3.9Å; G303-L306 PolarHBondContact O-N 3.45Å; R304-L306 PolarHBondContact O-N 3.29Å; R304-L306 VanDerWaalsContact O-N 3.11Å; L306-F328 HydrophobicContact CB-CD2 4.35Å; L306-F328 HydrophobicContact CB-CE2 4.39Å; L306-R331 HydrophobicContact CD2-CB 3.85Å; L306-A332 HydrophobicContact CD2-CB 4.44Å
307Q98.1Very high97.3Very high7 Ų724.3 Ų24.33%0.03313%0.132CC..Hα-helixtrans-118.7-20.6-164-75.1-174.667.200113.8L31 A32 E35 Y59 L63 G303 R304 S309 A310 L311L31-Q307 HydrophobicContact CD1-CG 4.02Å; A32-Q307 PolarHBondContact O-NE2 3.44Å; E35-Q307 PolarHBondContact OE1-NE2 3.3Å; Y59-Q307 WeakPolarHBondContact OH-CB 3.49Å; Y59-Q307 PolarHBondContact OH-O 3.21Å; Y59-Q307 PolarHBondContact OH-OE1 2.9Å; L63-Q307 HydrophobicContact CD1-CG 3.98Å; L63-Q307 HydrophobicContact CD2-CG 4.29Å; G303-Q307 WeakPolarHBondContact O-CB 3.43Å; G303-Q307 WeakPolarHBondContact O-CG 3.24Å; G303-Q307 PolarHBondContact O-N 2.98Å; G303-Q307 VanDerWaalsContact O-N 3.17Å; R304-Q307 PolarHBondContact O-N 3.39Å; Q307-S309 PolarHBondContact O-N 3.45Å; Q307-A310 PolarHBondContact O-N 3.09Å; Q307-L311 VanDerWaalsContact O-CB 3.31Å; Q307-L311 WeakPolarHBondContact O-CB 3.37Å; Q307-L311 PolarHBondContact O-N 2.8Å
308A96.4Very high97.1Very high15 Ų1530 Ų3012%0.12415%0.147CC..Hα-helixtrans-63-48.7-169.800000112.3E277 R304 L311 N312 L357E277-A308 HydrophobicContact CG-CB 4.01Å; E277-A308 WeakPolarHBondContact OE1-CB 3.43Å; E277-A308 PolarHBondContact OE1-N 3.34Å; E277-A308 VanDerWaalsContact OE1-N 3.08Å; R304-A308 WeakPolarHBondContact O-CB 3.49Å; R304-A308 PolarHBondContact O-N 2.89Å; A308-L311 PolarHBondContact O-N 3.15Å; A308-N312 WeakPolarHBondContact O-CB 3.28Å; A308-N312 PolarHBondContact O-N 2.91Å; A308-N312 PolarHBondContact O-ND2 2.81Å; A308-L357 HydrophobicContact CB-CD1 3.77Å; A308-L357 HydrophobicContact CB-CD2 3.62Å; A308-L357 HydrophobicContact CB-CG 4.38Å
309S96.6Very high97Very high14 Ų1437.3 Ų37.310%0.09819%0.186CC..Hα-helixtrans-66.7-39.5176.8-70.80000111.8E277 Q307 L311 N312 A313E277-S309 PolarHBondContact OE1-N 3.25Å; E277-S309 VanDerWaalsContact OE2-CB 3.26Å; E277-S309 WeakPolarHBondContact OE2-CB 3.47Å; E277-S309 PolarHBondContact OE2-OG 2.94Å; Q307-S309 PolarHBondContact O-N 3.45Å; S309-L311 PolarHBondContact O-N 2.79Å; S309-N312 PolarHBondContact O-N 3.4Å; S309-A313 WeakPolarHBondContact O-CB 3.37Å; S309-A313 PolarHBondContact O-N 3.41Å
310A97.6Very high97Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-60.9-45175.400000112.3L63 Q307 A313 W314 A324 E327 F328L63-A310 HydrophobicContact CD2-CB 4.29Å; Q307-A310 PolarHBondContact O-N 3.09Å; A310-A313 PolarHBondContact O-N 3.16Å; A310-W314 WeakPolarHBondContact O-CB 3.18Å; A310-W314 PolarHBondContact O-N 3.3Å; A310-A324 VanDerWaalsContact CB-O 3.24Å; A310-A324 WeakPolarHBondContact CB-O 3.41Å; A310-A324 VanDerWaalsContact O-CB 3.26Å; A310-A324 WeakPolarHBondContact O-CB 3.34Å; A310-E327 HydrophobicContact CB-CB 4.38Å; A310-F328 HydrophobicContact CB-CB 4.01Å
311L97Very high96.9Very high7 Ų740.7 Ų40.74%0.03721%0.209CC..Hα-helixtrans-62.8-44.8177.6-170.566.8000111.3R43 L44 I47 Y59 Q307 A308 S309 A313 W314 R315R43-L311 HydrophobicContact CB-CD2 3.89Å; L44-L311 HydrophobicContact CD2-CD1 4.32Å; I47-L311 HydrophobicContact CD1-CD1 3.6Å; I47-L311 HydrophobicContact CD1-CG 3.84Å; I47-L311 HydrophobicContact CG1-CD1 4.4Å; I47-L311 HydrophobicContact CG1-CG 4.33Å; I47-L311 HydrophobicContact CG2-CG 4.14Å; Y59-L311 HydrophobicContact CD1-CD1 4.18Å; Y59-L311 HydrophobicContact CD2-CD1 3.88Å; Y59-L311 HydrophobicContact CE1-CD1 3.85Å; Y59-L311 HydrophobicContact CE2-CB 4.11Å; Y59-L311 HydrophobicContact CE2-CD1 3.54Å; Y59-L311 HydrophobicContact CE2-CG 4.44Å; Y59-L311 HydrophobicContact CG-CD1 4.2Å; Q307-L311 VanDerWaalsContact O-CB 3.31Å; Q307-L311 WeakPolarHBondContact O-CB 3.37Å; Q307-L311 PolarHBondContact O-N 2.8Å; A308-L311 PolarHBondContact O-N 3.15Å; S309-L311 PolarHBondContact O-N 2.79Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.32Å; L311-W314 HydrophobicContact CD1-CE3 4.15Å; L311-W314 HydrophobicContact CD1-CZ3 4.48Å; L311-W314 PolarHBondContact O-N 3.16Å; L311-R315 PolarHBondContact O-N 2.91Å; L311-R315 VanDerWaalsContact O-N 3.12Å
312N96.4Very high96.8Very high68 Ų6843.3 Ų43.336%0.36424%0.235SC..Hα-helixtrans-67.4-30.5178.4-77.3-26.6000113.8A308 S309 R315A308-N312 WeakPolarHBondContact O-CB 3.28Å; A308-N312 PolarHBondContact O-N 2.91Å; A308-N312 PolarHBondContact O-ND2 2.81Å; S309-N312 PolarHBondContact O-N 3.4Å; N312-R315 WeakPolarHBondContact O-CG 3.32Å; N312-R315 PolarHBondContact O-NE 2.94Å
313A97.1Very high96.8Very high28 Ų2846 Ų4623%0.23126%0.258CS..Hα-helixtrans-74.9-39173.300000111.4S309 A310 L311 N320 A324 E327S309-A313 WeakPolarHBondContact O-CB 3.37Å; S309-A313 PolarHBondContact O-N 3.41Å; A310-A313 PolarHBondContact O-N 3.16Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.32Å; A313-N320 WeakPolarHBondContact O-CB 3.48Å; A313-N320 PolarHBondContact O-ND2 2.88Å; A313-A324 HydrophobicContact CB-CB 4.14Å; A313-E327 HydrophobicContact CB-CG 4.12Å
314W97.9Very high96.9Very high2 Ų245.5 Ų45.51%0.00825%0.252CS..Hα-helixtrans-67.4-50.6-178.3178.651.6000112.9L44 I47 V49 N55 L58 Y59 V62 A310 L311 G316 Q317 N320 A324L44-W314 HydrophobicContact CD2-CH2 4.41Å; L44-W314 HydrophobicContact CD2-CZ3 3.71Å; I47-W314 HydrophobicContact CD1-CE3 3.87Å; I47-W314 HydrophobicContact CD1-CZ3 4.14Å; V49-W314 HydrophobicContact CG1-CH2 4.34Å; V49-W314 HydrophobicContact CG1-CZ3 4.41Å; N55-W314 HydrophobicContact CB-CH2 4.49Å; N55-W314 WeakPolarHBondContact O-CH2 3.29Å; L58-W314 HydrophobicContact CB-CZ2 3.95Å; Y59-W314 AromaticContact CD2-CD2 3.97Å; Y59-W314 HydrophobicContact CD2-CD2 3.97Å; Y59-W314 AromaticContact CD2-CE3 3.48Å; Y59-W314 HydrophobicContact CD2-CE3 3.48Å; Y59-W314 VanDerWaalsContact CD2-CE3 3.48Å; Y59-W314 AromaticContact CD2-CZ3 3.89Å; Y59-W314 HydrophobicContact CD2-CZ3 3.89Å; Y59-W314 HydrophobicContact CE2-CE3 4.3Å; Y59-W314 HydrophobicContact CG-CE3 4.05Å; Y59-W314 AromaticContact CG-CZ3 3.95Å; Y59-W314 HydrophobicContact CG-CZ3 3.95Å; V62-W314 HydrophobicContact CG2-CG 4.38Å; A310-W314 WeakPolarHBondContact O-CB 3.18Å; A310-W314 PolarHBondContact O-N 3.3Å; L311-W314 HydrophobicContact CD1-CE3 4.15Å; L311-W314 HydrophobicContact CD1-CZ3 4.48Å; L311-W314 PolarHBondContact O-N 3.16Å; W314-G316 PolarHBondContact O-N 2.71Å; W314-Q317 VanDerWaalsContact CD1-O 3.27Å; W314-Q317 PolarHBondContact NE1-O 3.43Å; W314-Q317 PolarHBondContact O-N 2.96Å; W314-N320 PolarHBondContact O-ND2 3.36Å; W314-A324 HydrophobicContact CB-CB 3.61Å; W314-A324 HydrophobicContact CG-CB 4.5Å
315R95.4Very high97Very high164 Ų16445.2 Ų45.262%0.61925%0.253SS*.THydrogen-bonded Turntrans52.425.8-179.3-52.7-173.6178.8-177.1-2.6115L311 N312 Q317L311-R315 PolarHBondContact O-N 2.91Å; L311-R315 VanDerWaalsContact O-N 3.12Å; N312-R315 WeakPolarHBondContact O-CG 3.32Å; N312-R315 PolarHBondContact O-NE 2.94Å; R315-Q317 PolarHBondContact O-N 2.75Å
316G95.9Very high97Very high25 Ų2548.1 Ų48.126%0.25827%0.267SS..THydrogen-bonded Turntrans75.15-176.800000115.2V49 W314V49-G316 VanDerWaalsContact CG2-CA 3.44Å; W314-G316 PolarHBondContact O-N 2.71Å
317Q95.8Very high97Very high108 Ų10850.7 Ų50.751%0.50528%0.279SS..  trans-98.5123.5-175.7-61.5178.91.900109.9W314 R315 D319 N320W314-Q317 VanDerWaalsContact CD1-O 3.27Å; W314-Q317 PolarHBondContact NE1-O 3.43Å; W314-Q317 PolarHBondContact O-N 2.96Å; R315-Q317 PolarHBondContact O-N 2.75Å; Q317-D319 VanDerWaalsContact C-N 3.25Å; Q317-D319 PolarHBondContact O-N 3.18Å; Q317-N320 HydrophobicContact CB-CB 4.35Å; Q317-N320 PolarHBondContact O-N 3.45Å; Q317-N320 VanDerWaalsContact O-N 3.07Å; Q317-N320 PolarHBondContact OE1-ND2 2.9Å
318R94.7Very high97Very high148 Ų14850.6 Ų50.656%0.55828%0.278SS*.G310 helixtrans-58.8-37.6-179.9-71.5-174.6171.7-154.1-3112.1E54 N320 A321E54-R318 IonicContact OE1-NH2 2.63Å; E54-R318 PolarHBondContact OE1-NH2 3.34Å; R318-N320 PolarHBondContact O-N 3.08Å; R318-A321 WeakPolarHBondContact O-CB 3.35Å; R318-A321 PolarHBondContact O-N 3.38Å
319D96.7Very high97.1Very high160 Ų16049.9 Ų49.986%0.85627%0.272SS*.G310 helixtrans-64.6-22179.3-60.6-16.8000113Q317Q317-D319 VanDerWaalsContact C-N 3.25Å; Q317-D319 PolarHBondContact O-N 3.18Å
320N97.6Very high97.2Very high45 Ų4553.5 Ų53.524%0.24129%0.286CS..G310 helixtrans-88.90.1177.1-64.7-20.6000113.4A313 W314 Q317 R318 G322 A323 A324A313-N320 WeakPolarHBondContact O-CB 3.48Å; A313-N320 PolarHBondContact O-ND2 2.88Å; W314-N320 PolarHBondContact O-ND2 3.36Å; Q317-N320 HydrophobicContact CB-CB 4.35Å; Q317-N320 PolarHBondContact O-N 3.45Å; Q317-N320 VanDerWaalsContact O-N 3.07Å; Q317-N320 PolarHBondContact OE1-ND2 2.9Å; R318-N320 PolarHBondContact O-N 3.08Å; N320-G322 VanDerWaalsContact C-N 3.29Å; N320-G322 PolarHBondContact O-N 3.32Å; N320-A323 PolarHBondContact O-N 2.99Å; N320-A324 WeakPolarHBondContact O-CB 3.33Å; N320-A324 PolarHBondContact O-N 3.25Å
321A96.9Very high97.2Very high30 Ų3054.2 Ų54.225%0.24829%0.289CS..Hα-helixtrans-56.5-41.7-17600000112.5V62 R318 A324 T325V62-A321 HydrophobicContact CG2-CB 3.94Å; R318-A321 WeakPolarHBondContact O-CB 3.35Å; R318-A321 PolarHBondContact O-N 3.38Å; A321-A324 PolarHBondContact O-N 2.73Å; A321-T325 WeakPolarHBondContact O-CB 3.42Å; A321-T325 PolarHBondContact O-N 3.42Å; A321-T325 PolarHBondContact O-OG1 3.33Å
322G97.6Very high97.2Very high55 Ų5553.9 Ų53.957%0.56729%0.287SS*.Hα-helixtrans-62.5-48.1177.400000112.7N320 A324 T325 E326N320-G322 VanDerWaalsContact C-N 3.29Å; N320-G322 PolarHBondContact O-N 3.32Å; G322-A324 PolarHBondContact O-N 3.27Å; G322-T325 WeakPolarHBondContact O-CB 3.22Å; G322-T325 PolarHBondContact O-N 2.93Å; G322-E326 PolarHBondContact O-N 2.87Å
323A97.8Very high97.3Very high57 Ų5753.1 Ų53.147%0.47128%0.281SS..Hα-helixtrans-63.1-41.4178.200000112.2N320 E326 E327N320-A323 PolarHBondContact O-N 2.99Å; A323-E326 WeakPolarHBondContact O-CB 3.39Å; A323-E326 PolarHBondContact O-N 3.4Å; A323-E327 PolarHBondContact O-N 2.98Å
324A98.2Very high97.3Very high0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-65-39.6176.200000113.1V62 A310 A313 W314 N320 A321 G322 E326 E327 F328V62-A324 HydrophobicContact CG1-CB 3.58Å; A310-A324 VanDerWaalsContact CB-O 3.24Å; A310-A324 WeakPolarHBondContact CB-O 3.41Å; A310-A324 VanDerWaalsContact O-CB 3.26Å; A310-A324 WeakPolarHBondContact O-CB 3.34Å; A313-A324 HydrophobicContact CB-CB 4.14Å; W314-A324 HydrophobicContact CB-CB 3.61Å; W314-A324 HydrophobicContact CG-CB 4.5Å; N320-A324 WeakPolarHBondContact O-CB 3.33Å; N320-A324 PolarHBondContact O-N 3.25Å; A321-A324 PolarHBondContact O-N 2.73Å; G322-A324 PolarHBondContact O-N 3.27Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 2.69Å; A324-E327 PolarHBondContact O-N 2.71Å; A324-F328 PolarHBondContact O-N 3.35Å
325T98.3Very high97.4Very high16 Ų1652.8 Ų52.810%0.09828%0.277CS..Hα-helixtrans-61.3-42.6174.8-560000110.6V62 A66 A321 G322 E327 F328 I329V62-T325 PolarHBondContact O-OG1 2.87Å; A66-T325 HydrophobicContact CB-CG2 3.91Å; A321-T325 WeakPolarHBondContact O-CB 3.42Å; A321-T325 PolarHBondContact O-N 3.42Å; A321-T325 PolarHBondContact O-OG1 3.33Å; G322-T325 WeakPolarHBondContact O-CB 3.22Å; G322-T325 PolarHBondContact O-N 2.93Å; T325-E327 PolarHBondContact O-N 3.07Å; T325-F328 WeakPolarHBondContact O-CB 3.31Å; T325-F328 PolarHBondContact O-N 3.17Å; T325-I329 HydrophobicContact CG2-CD1 4.09Å; T325-I329 WeakPolarHBondContact O-CG1 3.34Å; T325-I329 PolarHBondContact O-N 3.45Å
326E98Very high97.5Very high62 Ų6245.2 Ų45.229%0.2925%0.25SC..Hα-helixtrans-61.2-41.8178.1-170.961-150.800112.3R69 G322 A323 A324 F328 I329 K330R69-E326 IonicContact CZ-OE1 3.99Å; R69-E326 IonicContact CZ-OE2 3.09Å; R69-E326 IonicContact NH1-OE1 2.84Å; R69-E326 PolarHBondContact NH1-OE1 3.35Å; R69-E326 IonicContact NH1-OE2 2.73Å; R69-E326 PolarHBondContact NH1-OE2 3.11Å; R69-E326 IonicContact NH2-OE1 2.7Å; R69-E326 IonicContact NH2-OE2 2.88Å; R69-E326 PolarHBondContact NH2-OE2 3.28Å; G322-E326 PolarHBondContact O-N 2.87Å; A323-E326 WeakPolarHBondContact O-CB 3.39Å; A323-E326 PolarHBondContact O-N 3.4Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 2.69Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 3.09Å; E326-I329 PolarHBondContact O-N 2.87Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.43Å
327E97.7Very high97.6Very high53 Ų5347.6 Ų47.625%0.24826%0.256CS..Hα-helixtrans-62.5-39.2175.7-68.4-52133.200112.6A310 A313 A323 A324 T325 K330 R331A310-E327 HydrophobicContact CB-CB 4.38Å; A313-E327 HydrophobicContact CB-CG 4.12Å; A323-E327 PolarHBondContact O-N 2.98Å; A324-E327 PolarHBondContact O-N 2.71Å; T325-E327 PolarHBondContact O-N 3.07Å; E327-K330 PolarHBondContact O-N 2.88Å; E327-K330 IonicContact OE1-NZ 3.3Å; E327-K330 PolarHBondContact OE1-NZ 2.91Å; E327-K330 IonicContact OE2-NZ 2.75Å; E327-R331 PolarHBondContact O-N 3.16Å; E327-R331 VanDerWaalsContact O-N 3.15Å
328F98.3Very high97.7Very high5 Ų542.5 Ų42.52%0.02223%0.232CC..Hα-helixtrans-62.7-45.2172.2163.5-115.5000111.8L31 L63 A66 V70 I74 L306 A310 A324 T325 E326 K330 R331 A332L31-F328 HydrophobicContact CD1-CE2 4.03Å; L31-F328 HydrophobicContact CD2-CE2 3.98Å; L31-F328 HydrophobicContact CD2-CZ 3.86Å; L31-F328 HydrophobicContact CG-CE2 4.4Å; L63-F328 HydrophobicContact CD2-CB 4Å; L63-F328 HydrophobicContact CD2-CD1 4.46Å; L63-F328 HydrophobicContact CD2-CD2 4.24Å; L63-F328 HydrophobicContact CD2-CG 3.97Å; L63-F328 WeakPolarHBondContact O-CE1 3.44Å; A66-F328 HydrophobicContact CB-CD1 3.77Å; A66-F328 HydrophobicContact CB-CE1 3.65Å; V70-F328 HydrophobicContact CG1-CE1 3.9Å; V70-F328 HydrophobicContact CG1-CZ 4.4Å; I74-F328 HydrophobicContact CD1-CZ 4.49Å; I74-F328 HydrophobicContact CG1-CZ 4.37Å; L306-F328 HydrophobicContact CB-CD2 4.35Å; L306-F328 HydrophobicContact CB-CE2 4.39Å; A310-F328 HydrophobicContact CB-CB 4.01Å; A324-F328 PolarHBondContact O-N 3.35Å; T325-F328 WeakPolarHBondContact O-CB 3.31Å; T325-F328 PolarHBondContact O-N 3.17Å; E326-F328 VanDerWaalsContact C-N 3.34Å; E326-F328 PolarHBondContact O-N 3.09Å; F328-K330 VanDerWaalsContact C-N 3.34Å; F328-K330 PolarHBondContact O-N 3.46Å; F328-R331 PolarHBondContact O-N 3.39Å; F328-A332 HydrophobicContact CE2-CB 4.41Å; F328-A332 WeakPolarHBondContact O-CB 3.4Å; F328-A332 PolarHBondContact O-N 3.22Å
329I98.3Very high97.9Very high1 Ų136 Ų361%0.00521%0.211CC..Hα-helixtrans-59.5-46.2178.9-66.1169.4000110.5A66 R69 V70 T325 E326 R331 A332 E333A66-I329 HydrophobicContact CB-CD1 4.07Å; A66-I329 HydrophobicContact CB-CG1 3.8Å; R69-I329 HydrophobicContact CB-CG2 3.88Å; V70-I329 HydrophobicContact CG1-CB 4.48Å; V70-I329 HydrophobicContact CG1-CG1 3.86Å; T325-I329 HydrophobicContact CG2-CD1 4.09Å; T325-I329 WeakPolarHBondContact O-CG1 3.34Å; T325-I329 PolarHBondContact O-N 3.45Å; E326-I329 PolarHBondContact O-N 2.87Å; I329-R331 PolarHBondContact O-N 3.36Å; I329-A332 WeakPolarHBondContact O-CB 3.07Å; I329-A332 PolarHBondContact O-N 2.78Å; I329-A332 VanDerWaalsContact O-N 3.12Å; I329-E333 HydrophobicContact CG2-CG 4.33Å; I329-E333 WeakPolarHBondContact O-CG 3.42Å; I329-E333 PolarHBondContact O-N 2.83Å
330K97.1Very high98Very high90 Ų9032.1 Ų32.139%0.39119%0.187SC..Hα-helixtrans-54.7-50.4176.3-72.5172-176169.60111.5E326 E327 F328 A332 E333 V334E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.43Å; E327-K330 PolarHBondContact O-N 2.88Å; E327-K330 IonicContact OE1-NZ 3.3Å; E327-K330 PolarHBondContact OE1-NZ 2.91Å; E327-K330 IonicContact OE2-NZ 2.75Å; F328-K330 VanDerWaalsContact C-N 3.34Å; F328-K330 PolarHBondContact O-N 3.46Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.27Å; K330-E333 PolarHBondContact O-N 2.73Å; K330-V334 WeakPolarHBondContact O-CB 3.16Å; K330-V334 WeakPolarHBondContact O-CG2 3.46Å; K330-V334 PolarHBondContact O-N 3.14Å
331R97.7Very high98Very high14 Ų1430.5 Ų30.55%0.05318%0.181CC..Hα-helixtrans-65.6-34.7178.5-62.5-44.5-56.3177-2.5112.2E277 E278 S281 L306 E327 F328 I329 N335E277-R331 PolarHBondContact O-NH2 3.33Å; E278-R331 IonicContact OE2-CZ 3.49Å; E278-R331 IonicContact OE2-NH1 2.83Å; E278-R331 PolarHBondContact OE2-NH1 2.75Å; E278-R331 IonicContact OE2-NH2 2.75Å; E278-R331 PolarHBondContact OE2-NH2 2.84Å; S281-R331 PolarHBondContact OG-NH2 3.45Å; L306-R331 HydrophobicContact CD2-CB 3.85Å; E327-R331 PolarHBondContact O-N 3.16Å; E327-R331 VanDerWaalsContact O-N 3.15Å; F328-R331 PolarHBondContact O-N 3.39Å; I329-R331 PolarHBondContact O-N 3.36Å; R331-N335 WeakPolarHBondContact O-CB 3.25Å; R331-N335 PolarHBondContact O-N 2.95Å; R331-N335 PolarHBondContact O-ND2 3.44Å
332A98.4Very high98Very high0 Ų034.9 Ų34.90%020%0.195CC..Hα-helixtrans-63.8-45.4174.800000111.7V70 C73 I74 L306 F328 I329 K330 N335 G336V70-A332 HydrophobicContact CG1-CB 4.28Å; C73-A332 HydrophobicContact CB-CB 4.03Å; C73-A332 WeakPolarHBondContact CB-O 3.3Å; I74-A332 HydrophobicContact CD1-CB 4.05Å; I74-A332 HydrophobicContact CG1-CB 4.32Å; L306-A332 HydrophobicContact CD2-CB 4.44Å; F328-A332 HydrophobicContact CE2-CB 4.41Å; F328-A332 WeakPolarHBondContact O-CB 3.4Å; F328-A332 PolarHBondContact O-N 3.22Å; I329-A332 WeakPolarHBondContact O-CB 3.07Å; I329-A332 PolarHBondContact O-N 2.78Å; I329-A332 VanDerWaalsContact O-N 3.12Å; K330-A332 VanDerWaalsContact C-N 3.32Å; K330-A332 PolarHBondContact O-N 3.27Å; A332-N335 PolarHBondContact O-N 3.19Å; A332-G336 PolarHBondContact O-N 3.21Å
333E97.9Very high97.9Very high52 Ų5232.8 Ų32.824%0.24317%0.17CC..Hα-helixtrans-63.9-44.7176.9-69.3-169.8126.400112.6K72 I329 K330 N335 G336 L337K72-E333 VanDerWaalsContact CE-OE1 3.29Å; K72-E333 WeakPolarHBondContact CE-OE1 2.99Å; K72-E333 IonicContact NZ-OE1 3.02Å; K72-E333 PolarHBondContact NZ-OE1 2.98Å; I329-E333 HydrophobicContact CG2-CG 4.33Å; I329-E333 WeakPolarHBondContact O-CG 3.42Å; I329-E333 PolarHBondContact O-N 2.83Å; K330-E333 PolarHBondContact O-N 2.73Å; E333-N335 VanDerWaalsContact C-N 3.35Å; E333-N335 PolarHBondContact O-N 3.08Å; E333-G336 PolarHBondContact O-N 3.18Å; E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 3.07Å
334V97.6Very high97.5Very high24 Ų2438.3 Ų38.315%0.14519%0.186CC..Hα-helixtrans-57-48.9174.8165.40000111S281 K330 G336 L337 A338 Y343S281-V334 VanDerWaalsContact OG-CG1 3.31Å; S281-V334 WeakPolarHBondContact OG-CG1 3.49Å; K330-V334 WeakPolarHBondContact O-CB 3.16Å; K330-V334 WeakPolarHBondContact O-CG2 3.46Å; K330-V334 PolarHBondContact O-N 3.14Å; V334-G336 VanDerWaalsContact C-N 3.34Å; V334-G336 PolarHBondContact O-N 3.39Å; V334-L337 WeakPolarHBondContact O-CB 3.32Å; V334-L337 PolarHBondContact O-N 2.95Å; V334-A338 PolarHBondContact O-N 3.48Å; V334-Y343 HydrophobicContact CB-CE2 4.25Å; V334-Y343 HydrophobicContact CG1-CD1 4.23Å; V334-Y343 HydrophobicContact CG1-CD2 3.87Å; V334-Y343 HydrophobicContact CG1-CE1 3.9Å; V334-Y343 HydrophobicContact CG1-CE2 3.54Å; V334-Y343 HydrophobicContact CG1-CG 4.2Å; V334-Y343 HydrophobicContact CG2-CE2 3.92Å
335N98.5Very high96.7Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-70.7-30.5-178.7-77.1-65.2000112.7S281 F300 Y302 R331 A332 E333 L337 A338 A339S281-N335 PolarHBondContact OG-OD1 2.76Å; S281-N335 VanDerWaalsContact OG-OD1 3.06Å; F300-N335 HydrophobicContact CD1-CB 3.69Å; F300-N335 HydrophobicContact CD2-CB 4.25Å; F300-N335 HydrophobicContact CE1-CB 3.55Å; F300-N335 WeakPolarHBondContact CE1-O 3.31Å; F300-N335 HydrophobicContact CE2-CB 4.11Å; F300-N335 HydrophobicContact CG-CB 4.04Å; F300-N335 HydrophobicContact CZ-CB 3.74Å; Y302-N335 VanDerWaalsContact CE2-OD1 3.25Å; Y302-N335 WeakPolarHBondContact CE2-OD1 3.37Å; R331-N335 WeakPolarHBondContact O-CB 3.25Å; R331-N335 PolarHBondContact O-N 2.95Å; R331-N335 PolarHBondContact O-ND2 3.44Å; A332-N335 PolarHBondContact O-N 3.19Å; E333-N335 VanDerWaalsContact C-N 3.35Å; E333-N335 PolarHBondContact O-N 3.08Å; N335-L337 VanDerWaalsContact C-N 3.32Å; N335-A338 PolarHBondContact O-N 3.23Å; N335-A339 WeakPolarHBondContact O-CB 3.37Å; N335-A339 PolarHBondContact O-N 3.44Å
336G98.3Very high95.3Very high4 Ų442.3 Ų42.34%0.04122%0.218CC..Hα-helixtrans-65.7-32.8171.600000113.3G27 A332 E333 V334 Q340G27-G336 WeakPolarHBondContact O-CA 3.5Å; A332-G336 PolarHBondContact O-N 3.21Å; E333-G336 PolarHBondContact O-N 3.18Å; V334-G336 VanDerWaalsContact C-N 3.34Å; V334-G336 PolarHBondContact O-N 3.39Å; G336-Q340 PolarHBondContact O-NE2 3.48Å
337L98.2Very high93.4Very high76 Ų7642.1 Ų42.140%0.39823%0.232SC..Hα-helixtrans-72.7-42.2169.8-69.7169.3000111.7E333 V334 N335 A339 Q340 G341 K342E333-L337 WeakPolarHBondContact O-CG 3.4Å; E333-L337 PolarHBondContact O-N 3.07Å; V334-L337 WeakPolarHBondContact O-CB 3.32Å; V334-L337 PolarHBondContact O-N 2.95Å; N335-L337 VanDerWaalsContact C-N 3.32Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.41Å; L337-Q340 CarbonylContact O-C 3.51Å; L337-Q340 WeakPolarHBondContact O-CA 3.5Å; L337-Q340 PolarHBondContact O-N 3Å; L337-G341 PolarHBondContact O-N 3.07Å; L337-K342 HydrophobicContact CB-CB 4.5Å; L337-K342 HydrophobicContact CD2-CB 4.12Å; L337-K342 PolarHBondContact O-N 3.01Å
338A98.4Very high90.8Very high0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-62-40.1178.300000112.1S281 L284 N285 N288 V334 N335 Q340 G341S281-A338 WeakPolarHBondContact O-CB 3.48Å; L284-A338 HydrophobicContact CB-CB 4.14Å; L284-A338 HydrophobicContact CD2-CB 4Å; L284-A338 HydrophobicContact CG-CB 4.03Å; N285-A338 WeakPolarHBondContact CA-O 3.12Å; N285-A338 HydrophobicContact CB-CB 3.95Å; N288-A338 PolarHBondContact ND2-O 3.32Å; V334-A338 PolarHBondContact O-N 3.48Å; N335-A338 PolarHBondContact O-N 3.23Å; A338-Q340 PolarHBondContact O-N 3.47Å; A338-G341 PolarHBondContact O-N 3.21Å
339A98.5Very high88.6Confident13 Ų1356.6 Ų56.611%0.10731%0.305CS..THydrogen-bonded Turntrans-61.8-12.9173.400000113.7L284 N288 T299 F300 N335 L337L284-A339 HydrophobicContact CD2-CB 4.35Å; N288-A339 PolarHBondContact OD1-O 3.44Å; T299-A339 WeakPolarHBondContact OG1-CB 3.43Å; F300-A339 HydrophobicContact CD1-CB 4.38Å; F300-A339 HydrophobicContact CE1-CB 4.37Å; N335-A339 WeakPolarHBondContact O-CB 3.37Å; N335-A339 PolarHBondContact O-N 3.44Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.41Å
340Q98.2Very high86.6Confident78 Ų7857.4 Ų57.436%0.36431%0.314SS..THydrogen-bonded Turntrans-109.50.9175.4-65.6175.47000113G336 L337 A338 K342G336-Q340 PolarHBondContact O-NE2 3.48Å; L337-Q340 CarbonylContact O-C 3.51Å; L337-Q340 WeakPolarHBondContact O-CA 3.5Å; L337-Q340 PolarHBondContact O-N 3Å; A338-Q340 PolarHBondContact O-N 3.47Å; Q340-K342 VanDerWaalsContact C-N 3.25Å; Q340-K342 HydrophobicContact CB-CB 4.42Å; Q340-K342 HydrophobicContact CB-CD 3.96Å; Q340-K342 HydrophobicContact CB-CG 4.04Å; Q340-K342 PolarHBondContact O-N 3.13Å
341G97.7Very high85.4Confident11 Ų1155.6 Ų55.611%0.11332%0.321CS..THydrogen-bonded Turntrans67.924.3-173.200000113.5N285 R289 L337 A338N285-G341 WeakPolarHBondContact OD1-CA 3.2Å; R289-G341 PolarHBondContact NE-O 3.36Å; R289-G341 PolarHBondContact NH2-O 3.47Å; L337-G341 PolarHBondContact O-N 3.07Å; A338-G341 PolarHBondContact O-N 3.21Å
342K97.7Very high84.1Confident122 Ų12257.6 Ų57.653%0.5334%0.34SS..  trans-112.16.9-174.9-66.3177-174.9166.10113.5N285 L337 Q340N285-K342 PolarHBondContact OD1-N 3.27Å; N285-K342 VanDerWaalsContact OD1-N 3.16Å; L337-K342 HydrophobicContact CB-CB 4.5Å; L337-K342 HydrophobicContact CD2-CB 4.12Å; L337-K342 PolarHBondContact O-N 3.01Å; Q340-K342 VanDerWaalsContact C-N 3.25Å; Q340-K342 HydrophobicContact CB-CB 4.42Å; Q340-K342 HydrophobicContact CB-CD 3.96Å; Q340-K342 HydrophobicContact CB-CG 4.04Å; Q340-K342 PolarHBondContact O-N 3.13Å
343Y96.1Very high82.9Confident11 Ų1158.3 Ų58.34%0.04335%0.346CS..  trans-81.6132.8176.5-178.7-125.6000110.4E278 F282 N285 R289 V334 S346E278-Y343 VanDerWaalsContact CD-OH 3.23Å; E278-Y343 PolarHBondContact OE1-OH 3.33Å; E278-Y343 PolarHBondContact OE2-OH 3.27Å; F282-Y343 HydrophobicContact CD1-CD1 4.32Å; F282-Y343 HydrophobicContact CD1-CE1 4.16Å; F282-Y343 HydrophobicContact CE1-CD1 4.42Å; F282-Y343 HydrophobicContact CE1-CE1 4.04Å; F282-Y343 HydrophobicContact CG-CE1 4.46Å; F282-Y343 HydrophobicContact CZ-CE1 4.25Å; N285-Y343 HydrophobicContact CB-CD1 4.47Å; N285-Y343 VanDerWaalsContact CG-O 3.31Å; N285-Y343 PolarHBondContact ND2-O 3.39Å; N285-Y343 PolarHBondContact OD1-N 3.44Å; N285-Y343 PolarHBondContact OD1-O 3.48Å; R289-Y343 PolarHBondContact NH2-O 2.9Å; V334-Y343 HydrophobicContact CB-CE2 4.25Å; V334-Y343 HydrophobicContact CG1-CD1 4.23Å; V334-Y343 HydrophobicContact CG1-CD2 3.87Å; V334-Y343 HydrophobicContact CG1-CE1 3.9Å; V334-Y343 HydrophobicContact CG1-CE2 3.54Å; V334-Y343 HydrophobicContact CG1-CG 4.2Å; V334-Y343 HydrophobicContact CG2-CE2 3.92Å; Y343-S346 PolarHBondContact OH-N 2.93Å
344E88.6Confident81.8Confident172 Ų17258.4 Ų58.480%0.80436%0.356SS*.  trans-112.51.4-175.7-63.7-173.6163.100113.2
345G81.2Confident80.7Confident23 Ų2363.1 Ų63.124%0.23738%0.376CS..  trans87.5157.6-173.700000112.5G347G345-G347 VanDerWaalsContact C-N 3.31Å; G345-G347 PolarHBondContact O-N 3.06Å
346S67.9Low79.8Confident78 Ų7866.6 Ų66.655%0.54540%0.4SS..SBendtrans-86.611.517754.50000114.9E278 Y343E278-S346 PolarHBondContact OE1-OG 3.31Å; Y343-S346 PolarHBondContact OH-N 2.93Å
347G58.1Low79.3Confident57 Ų5767.8 Ų67.859%0.58841%0.406SS*.  trans82.7179.8-167.500000112.7G345 D349G345-G347 VanDerWaalsContact C-N 3.31Å; G345-G347 PolarHBondContact O-N 3.06Å; G347-D349 PolarHBondContact O-N 3.3Å
348E45.1Very low78.7Confident207 Ų20766.8 Ų66.897%0.96740%0.397SS*.SBendtrans-65.7-7.7-164.2-73.6-175.7158.800116.7
349D50.7Low77.7Confident155 Ų15569.1 Ų69.183%0.82941%0.409SS*.  trans-115.479.8179.3-104.4-26.6000112.3G347 G351G347-D349 PolarHBondContact O-N 3.3Å; D349-G351 PolarHBondContact O-N 2.76Å; D349-G351 VanDerWaalsContact O-N 3.13Å
350G57Low77Confident19 Ų1971.2 Ų71.220%0.19643%0.426CS..  trans-66.6-4173.600000114.7A352 A353 A354G350-A352 PolarHBondContact O-N 2.88Å; G350-A353 WeakPolarHBondContact O-CA 3.44Å; G350-A353 WeakPolarHBondContact O-CB 3.46Å; G350-A353 PolarHBondContact O-N 3.44Å; G350-A354 PolarHBondContact O-N 3.31Å; G350-A354 VanDerWaalsContact O-N 3.07Å
351G72.7Confident76Confident51 Ų5171.9 Ų71.953%0.52643%0.433SS..G310 helixtrans45.1-133.8170.600000114.7D349 A353 A354D349-G351 PolarHBondContact O-N 2.76Å; D349-G351 VanDerWaalsContact O-N 3.13Å; G351-A353 VanDerWaalsContact C-N 3.26Å; G351-A353 PolarHBondContact O-N 3.45Å; G351-A354 PolarHBondContact O-N 3.31Å
352A70.3Confident75.2Confident57 Ų5772.7 Ų72.747%0.47143%0.433SS..G310 helixtrans-64.6-28.2177.200000113.2G350 A354 Q355G350-A352 PolarHBondContact O-N 2.88Å; A352-A354 PolarHBondContact O-N 3.48Å; A352-Q355 PolarHBondContact O-N 2.96Å
353A72.7Confident73.3Confident14 Ų1468.2 Ų68.212%0.11642%0.419CS..G310 helixtrans-68-21.2-179.700000112.8S276 E277 E278 G350 G351S276-A353 WeakPolarHBondContact CB-O 3.4Å; S276-A353 PolarHBondContact OG-O 2.83Å; E277-A353 HydrophobicContact CB-CB 4.08Å; E277-A353 PolarHBondContact N-O 3.03Å; E278-A353 HydrophobicContact CB-CB 4.43Å; E278-A353 WeakPolarHBondContact CB-O 3.36Å; E278-A353 PolarHBondContact N-O 3.08Å; G350-A353 WeakPolarHBondContact O-CA 3.44Å; G350-A353 WeakPolarHBondContact O-CB 3.46Å; G350-A353 PolarHBondContact O-N 3.44Å; G351-A353 VanDerWaalsContact C-N 3.26Å; G351-A353 PolarHBondContact O-N 3.45Å
354A74.5Confident71.8Confident55 Ų5569.9 Ų69.946%0.45543%0.425SS..G310 helixtrans-82.2-11.1176.900000114.1S276 G350 G351 A352S276-A354 VanDerWaalsContact CB-C 3.47Å; S276-A354 WeakPolarHBondContact CB-O 3.45Å; S276-A354 PolarHBondContact OG-O 2.97Å; G350-A354 PolarHBondContact O-N 3.31Å; G350-A354 VanDerWaalsContact O-N 3.07Å; G351-A354 PolarHBondContact O-N 3.31Å; A352-A354 PolarHBondContact O-N 3.48Å
355Q74.6Confident71Confident123 Ų12364.8 Ų64.858%0.57541%0.406SS*.SBendtrans-70.7133.3-177.4-65.4-175.9-3.900112S276 A352 L357S276-Q355 WeakPolarHBondContact CA-O 3.5Å; S276-Q355 WeakPolarHBondContact CB-O 3.16Å; A352-Q355 PolarHBondContact O-N 2.96Å; Q355-L357 PolarHBondContact O-N 3.21Å
356S79.9Confident70.4Confident72 Ų7266.9 Ų66.950%0.50342%0.415SS..  trans-59.2135.4177.4-175.90000111G274 Y358G274-S356 PolarHBondContact O-OG 3.44Å; S356-Y358 PolarHBondContact OG-N 2.89Å
357L87Confident70.6Confident29 Ų2966.3 Ų66.315%0.15241%0.408CS..  trans-104.715.6179.4-55172.9000111.7G274 Q275 E277 R304 A308 Q355G274-L357 CarbonylContact O-C 3.56Å; G274-L357 PolarHBondContact O-N 3.47Å; Q275-L357 WeakPolarHBondContact O-CB 3.17Å; Q275-L357 WeakPolarHBondContact O-CD1 3.36Å; E277-L357 HydrophobicContact CG-CD1 4.08Å; R304-L357 HydrophobicContact CB-CB 4.36Å; R304-L357 HydrophobicContact CB-CD1 3.79Å; R304-L357 WeakPolarHBondContact CD-O 3.23Å; R304-L357 HydrophobicContact CG-CB 4.35Å; R304-L357 HydrophobicContact CG-CD1 4.46Å; R304-L357 PolarHBondContact NH1-O 3.5Å; A308-L357 HydrophobicContact CB-CD1 3.77Å; A308-L357 HydrophobicContact CB-CD2 3.62Å; A308-L357 HydrophobicContact CB-CG 4.38Å; Q355-L357 PolarHBondContact O-N 3.21Å
358Y84.9Confident71.3Confident56 Ų5666.9 Ų66.922%0.2240%0.397CS..  trans-64.7139.7-176.1175.6-103.4000112.4P193 D194 H238 G274 S356 A360P193-Y358 HydrophobicContact CG-CD2 4.36Å; P193-Y358 HydrophobicContact CG-CE2 4.21Å; D194-Y358 VanDerWaalsContact CG-OH 3.25Å; D194-Y358 PolarHBondContact OD1-OH 2.91Å; H238-Y358 HydrophobicContact CB-CD2 4.21Å; H238-Y358 HydrophobicContact CB-CE1 4.38Å; H238-Y358 HydrophobicContact CB-CE2 3.87Å; H238-Y358 AromaticContact CD2-CD1 3.42Å; H238-Y358 VanDerWaalsContact CD2-CD1 3.42Å; H238-Y358 WeakPolarHBondContact CD2-CD1 3.45Å; H238-Y358 AromaticContact CD2-CE1 3.36Å; H238-Y358 WeakPolarHBondContact CD2-CE1 3.23Å; H238-Y358 AromaticContact CD2-CG 3.92Å; H238-Y358 AromaticContact CD2-CZ 3.82Å; H238-Y358 AromaticContact CE1-CD1 3.62Å; H238-Y358 AromaticContact CE1-CG 3.58Å; H238-Y358 AromaticContact CG-CD1 3.78Å; H238-Y358 AromaticContact CG-CD2 3.89Å; H238-Y358 AromaticContact CG-CE1 3.8Å; H238-Y358 AromaticContact CG-CE2 3.92Å; H238-Y358 AromaticContact CG-CG 3.8Å; H238-Y358 AromaticContact CG-CZ 3.84Å; H238-Y358 AromaticContact ND1-CD1 3.89Å; H238-Y358 AromaticContact ND1-CD2 3.87Å; H238-Y358 AromaticContact ND1-CG 3.59Å; H238-Y358 AromaticContact NE2-CD1 3.31Å; H238-Y358 VanDerWaalsContact NE2-CD1 3.31Å; H238-Y358 WeakPolarHBondContact NE2-CD1 3.37Å; H238-Y358 AromaticContact NE2-CE1 3.74Å; H238-Y358 AromaticContact NE2-CG 3.79Å; G274-Y358 PolarHBondContact O-N 2.74Å; S356-Y358 PolarHBondContact OG-N 2.89Å; Y358-A360 HydrophobicContact CE1-CB 3.93Å
359I79.2Confident72.9Confident48 Ų4858.1 Ų58.125%0.24636%0.362CS..  trans-135.2118.9171.7-63.9165.9000105.6H362I359-H362 HydrophobicContact CB-CB 4.05Å; I359-H362 HydrophobicContact CG2-CB 4.1Å; I359-H362 WeakPolarHBondContact O-CB 3.24Å; I359-H362 PolarHBondContact O-N 3.31Å
360A82.1Confident74.4Confident57 Ų5751.7 Ų51.747%0.47133%0.331SS..THydrogen-bonded Turntrans-60.7137.5-17900000111.6D194 Y358 H362D194-A360 WeakPolarHBondContact OD1-CA 3.11Å; Y358-A360 HydrophobicContact CE1-CB 3.93Å; A360-H362 PolarHBondContact O-N 3.28Å
361N78.9Confident75.6Confident93 Ų9354 Ų5450%0.49734%0.34SS..THydrogen-bonded Turntrans51.539.3-179.8-54.1-70.8000113K153 D194 A363K153-N361 PolarHBondContact NZ-OD1 3.17Å; D194-N361 PolarHBondContact OD1-N 2.88Å; N361-A363 VanDerWaalsContact C-N 3.34Å; N361-A363 PolarHBondContact O-N 3.33Å
362H79.2Confident75.9Confident28 Ų2854.2 Ų54.213%0.1333%0.326CS..  trans-73.485.9-177.9-172.656.4000112R149 R304 I359 A360 Y364R149-H362 PolarHBondContact NH2-O 2.82Å; R304-H362 PolarHBondContact NH2-CD2 2.77Å; I359-H362 HydrophobicContact CB-CB 4.05Å; I359-H362 HydrophobicContact CG2-CB 4.1Å; I359-H362 WeakPolarHBondContact O-CB 3.24Å; I359-H362 PolarHBondContact O-N 3.31Å; A360-H362 PolarHBondContact O-N 3.28Å; H362-Y364 VanDerWaalsContact CE1-C 3.49Å; H362-Y364 PolarHBondContact CE1-OXT 3.45Å
363A57.5Low76.3Confident27 Ų2754 Ų5422%0.22331%0.314CS..  trans-84.8-37.7174.700000112.6V113 R149 N361V113-A363 HydrophobicContact CG2-CB 3.84Å; R149-A363 PolarHBondContact NH1-O 2.86Å; N361-A363 VanDerWaalsContact C-N 3.34Å; N361-A363 PolarHBondContact O-N 3.33Å
364Y65.5Low76.7Confident46 Ų4657.6 Ų57.618%0.1833%0.332CS..  trans-154.80169.9-74.8-79.8000111.4S39 K42 D110 G112 V113 R149 H362S39-Y364 WeakPolarHBondContact CB-OXT 3.29Å; S39-Y364 PolarHBondContact OG-OXT 2.87Å; K42-Y364 PolarHBondContact NZ-O 3.34Å; D110-Y364 WeakPolarHBondContact OD1-CE1 2.95Å; D110-Y364 PolarHBondContact OD1-OH 3.45Å; G112-Y364 VanDerWaalsContact CA-CE2 3.46Å; V113-Y364 HydrophobicContact CB-CD2 4.46Å; V113-Y364 HydrophobicContact CB-CE2 3.88Å; V113-Y364 HydrophobicContact CG1-CD2 4.45Å; V113-Y364 HydrophobicContact CG1-CE2 3.54Å; V113-Y364 HydrophobicContact CG2-CD2 3.88Å; V113-Y364 HydrophobicContact CG2-CE2 3.79Å; R149-Y364 HydrophobicContact CB-CE1 4.49Å; R149-Y364 PolarHBondContact O-OH 3.11Å; H362-Y364 VanDerWaalsContact CE1-C 3.49Å; H362-Y364 PolarHBondContact CE1-OXT 3.45Å

Retrieved 364 of 364 residues in 934.2 ms (Link to these results)

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