A0A0D9S7K8_CHLSB Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. Participates in pre-mRNA splicing. May play a role in the assembly of the U4/U5/U6 tri-snRNP complex, one of the building blocks of the spliceosome. May act as a chaperone. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A0D9S7K8, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene PPIH, Length 177 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
1M50.6Low77Confident231 Ų23182.6 Ų82.6100%1.13852%0.517SS*.  0136.80-68-171.4-169.400107.2
2A61.3Low78.8Confident74 Ų7477.5 Ų77.561%0.61249%0.485SS*.PPolyproline II helixtrans-68.9141.2172.700000109.5I145A2-I145 CarbonylContact C-O 3.52Å; A2-I145 VanDerWaalsContact CA-O 3.25Å; A2-I145 WeakPolarHBondContact CA-O 3.43Å
3V70.9Confident80.3Confident87 Ų8771.5 Ų71.553%0.52745%0.448SS..PPolyproline II helixtrans-98.6138.1174.4-171.40000107.5I145V3-I145 PolarHBondContact N-O 2.83Å
4A69.7Low81.6Confident82 Ų8268.5 Ų68.568%0.67843%0.425SS*.PPolyproline II helixtrans-64.5149.4177.100000111.8
5N74.9Confident82.8Confident69 Ų6963.9 Ų63.937%0.36940%0.396SS..PPolyproline II helixtrans-59.1142.1172.4-69.818000110.3S7 V12 E30 I145N5-S7 VanDerWaalsContact C-N 3.31Å; N5-V12 VanDerWaalsContact ND2-CG2 3.32Å; N5-V12 WeakPolarHBondContact ND2-CG2 3.21Å; N5-E30 VanDerWaalsContact CA-OE2 3.27Å; N5-E30 WeakPolarHBondContact CA-OE2 3.2Å; N5-I145 VanDerWaalsContact OD1-CD1 3.31Å; N5-I145 WeakPolarHBondContact OD1-CD1 3.32Å
6S78.8Confident83.8Confident73 Ų7361.6 Ų61.651%0.5138%0.38SS..SBendtrans-71.1-28.2173.44.70000112.7E30 K143S6-E30 WeakPolarHBondContact CB-OE1 3.34Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 2.87Å; S6-E30 PolarHBondContact N-OE2 3.19Å; S6-E30 PolarHBondContact OG-OE1 3.2Å; S6-E30 PolarHBondContact OG-OE2 3.33Å; S6-K143 PolarHBondContact OG-NZ 2.87Å; S6-K143 VanDerWaalsContact OG-NZ 3.09Å
7S82.8Confident84.6Confident20 Ų2057.9 Ų57.914%0.1436%0.358CS..  trans-144.8139.9-179.9-177.70000111.1N5 V9 N10 E30N5-S7 VanDerWaalsContact C-N 3.31Å; S7-V9 PolarHBondContact O-N 2.87Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.42Å; S7-N10 PolarHBondContact O-N 3.45Å; S7-E30 PolarHBondContact N-OE1 2.86Å
8P77.2Confident85.4Confident130 Ų13055.3 Ų55.384%0.84434%0.342SS*.THydrogen-bonded Turntrans-70.7-15.7178.928.4-34.3000113.6
9V85.6Confident86.1Confident111 Ų11153.7 Ų53.767%0.67333%0.331SS*.THydrogen-bonded Turntrans-92.3-7177.7-62.70000113.3S7S7-V9 PolarHBondContact O-N 2.87Å; S7-V9 VanDerWaalsContact OG-CG2 3.25Å; S7-V9 WeakPolarHBondContact OG-CG2 3.42Å
10N97.1Very high86.7Confident7 Ų753.1 Ų53.14%0.03734%0.335CS..SBendtrans-77127.3-177.4-84.4-10000111S7 E30 L31 A33 D34S7-N10 PolarHBondContact O-N 3.45Å; N10-E30 HydrophobicContact CB-CG 3.81Å; N10-E30 PolarHBondContact ND2-OE1 3.06Å; N10-L31 WeakPolarHBondContact CB-O 3.37Å; N10-L31 PolarHBondContact OD1-O 3.38Å; N10-A33 PolarHBondContact OD1-N 3.15Å; N10-D34 PolarHBondContact ND2-OD1 2.94Å; N10-D34 PolarHBondContact OD1-N 3.02Å; N10-D34 VanDerWaalsContact OD1-N 3.12Å; N10-D34 PolarHBondContact OD1-OD1 2.9Å
11P97.9Very high87.2Confident25 Ų2553.7 Ų53.716%0.16235%0.352CS..  trans-59.3145.6175.5-23.433.6000111.8L31 A33P11-L31 HydrophobicContact CB-CB 4.46Å; P11-L31 HydrophobicContact CB-CD1 4.43Å; P11-L31 PolarHBondContact O-N 3.28Å; P11-A33 HydrophobicContact CG-CB 4.19Å
12V98.4Very high89.5Confident21 Ų2149.9 Ų49.913%0.12733%0.331CS..EExtended strand (participates in β ladder)trans-114.9121.7170.5178.20000108.5N5 K28 I29 I145 M177N5-V12 VanDerWaalsContact ND2-CG2 3.32Å; N5-V12 WeakPolarHBondContact ND2-CG2 3.21Å; V12-K28 HydrophobicContact CG1-CB 4.35Å; V12-I29 WeakPolarHBondContact CA-O 3.28Å; V12-I145 HydrophobicContact CG1-CD1 3.81Å; V12-I145 HydrophobicContact CG2-CD1 3.97Å; V12-M177 HydrophobicContact CB-CB 4.29Å; V12-M177 HydrophobicContact CG1-CB 4.18Å; V12-M177 HydrophobicContact CG1-CG 4.18Å; V12-M177 HydrophobicContact CG1-SD 4.02Å; V12-M177 PolarHBondContact O-N 3.19Å
13V98.8Very high91.2Very high0 Ų051.9 Ų51.90%033%0.328CS..EExtended strand (participates in β ladder)trans-110.4165.4174.1-62.10000110.6K28 I29 L31 F43 R44 C47 G175 E176V13-K28 WeakPolarHBondContact O-CA 3.41Å; V13-I29 HydrophobicContact CG2-CB 4Å; V13-I29 PolarHBondContact N-O 3.34Å; V13-I29 PolarHBondContact O-N 3.19Å; V13-L31 HydrophobicContact CG1-CD1 3.76Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.04Å; V13-L31 HydrophobicContact CG2-CD2 3.91Å; V13-L31 HydrophobicContact CG2-CG 3.99Å; V13-F43 HydrophobicContact CG2-CD1 4.08Å; V13-F43 HydrophobicContact CG2-CE1 3.79Å; V13-R44 HydrophobicContact CG1-CG 4.07Å; V13-C47 HydrophobicContact CB-CB 4.11Å; V13-C47 HydrophobicContact CG1-CB 4.02Å; V13-G175 CarbonylContact C-O 2.9Å; V13-G175 WeakPolarHBondContact CA-O 3.45Å; V13-G175 VanDerWaalsContact CB-O 3.27Å; V13-G175 WeakPolarHBondContact CB-O 3.35Å; V13-E176 HydrophobicContact CG1-CB 4.43Å
14F98.8Very high92.5Very high29 Ų2949.1 Ų49.113%0.12731%0.311CS..EExtended strand (participates in β ladder)trans-135155.317773.5-88.9000113.2R26 M27 Q173 C174 G175 M177F14-R26 HydrophobicContact CB-CG 4Å; F14-R26 HydrophobicContact CD2-CG 4.3Å; F14-M27 CarbonylContact C-O 3.6Å; F14-M27 WeakPolarHBondContact CA-O 3.49Å; F14-M27 WeakPolarHBondContact CB-O 3.49Å; F14-Q173 HydrophobicContact CE2-CB 4.38Å; F14-C174 WeakPolarHBondContact O-CA 3.02Å; F14-C174 WeakPolarHBondContact O-CB 3.47Å; F14-G175 WeakPolarHBondContact CD1-O 3.38Å; F14-G175 PolarHBondContact N-O 2.86Å; F14-G175 PolarHBondContact O-N 2.71Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4.5Å; F14-M177 HydrophobicContact CD1-CG 3.89Å
15F98.8Very high93.9Very high0 Ų046.5 Ų46.50%029%0.293CS..EExtended strand (participates in β ladder)trans-124.9121.3165.6-65.5-30.2000109.7V17 R26 M27 I29 F43 C47 Y60 F124 I171 C174F15-V17 HydrophobicContact CB-CG2 4.18Å; F15-R26 CarbonylContact O-C 3.27Å; F15-R26 VanDerWaalsContact O-CA 3.27Å; F15-R26 WeakPolarHBondContact O-CA 3.42Å; F15-M27 HydrophobicContact CD2-CE 4.35Å; F15-M27 PolarHBondContact N-O 3Å; F15-M27 PolarHBondContact O-N 2.83Å; F15-I29 HydrophobicContact CD2-CD1 3.8Å; F15-I29 HydrophobicContact CE2-CD1 3.83Å; F15-F43 HydrophobicContact CE1-CZ 4.43Å; F15-F43 HydrophobicContact CE2-CE1 4.39Å; F15-F43 AromaticContact CE2-CZ 3.74Å; F15-F43 HydrophobicContact CE2-CZ 3.74Å; F15-F43 AromaticContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE2 4.26Å; F15-F43 AromaticContact CZ-CZ 3.36Å; F15-F43 HydrophobicContact CZ-CZ 3.36Å; F15-C47 VanDerWaalsContact CE1-SG 3.58Å; F15-Y60 AromaticContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CG 4.21Å; F15-Y60 AromaticContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CE2 4.4Å; F15-Y60 HydrophobicContact CZ-CG 4.19Å; F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.18Å; F15-F124 AromaticContact CE2-CE2 3.94Å; F15-F124 HydrophobicContact CE2-CE2 3.94Å; F15-F124 AromaticContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CE2-CZ 3.45Å; F15-F124 VanDerWaalsContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CZ-CE1 4.15Å; F15-F124 AromaticContact CZ-CZ 3.89Å; F15-F124 HydrophobicContact CZ-CZ 3.89Å; F15-I171 HydrophobicContact CB-CG2 4.15Å; F15-I171 HydrophobicContact CD1-CD1 4.2Å; F15-I171 HydrophobicContact CD1-CG2 3.62Å; F15-I171 HydrophobicContact CD2-CD1 4.11Å; F15-I171 HydrophobicContact CE1-CD1 4.09Å; F15-I171 HydrophobicContact CE1-CG2 4.2Å; F15-I171 HydrophobicContact CE2-CD1 4Å; F15-I171 HydrophobicContact CG-CD1 4.22Å; F15-I171 HydrophobicContact CG-CG1 4.39Å; F15-I171 HydrophobicContact CG-CG2 4.01Å; F15-I171 HydrophobicContact CZ-CD1 3.97Å; F15-C174 HydrophobicContact CD1-CB 3.52Å; F15-C174 HydrophobicContact CE1-CB 3.82Å
16D98.8Very high95Very high26 Ų2648 Ų4814%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-83132.7157.5-66.3-35.6000108R26 I171 S172 Q173D16-R26 VanDerWaalsContact OD1-CB 3.27Å; D16-R26 WeakPolarHBondContact OD1-CB 3.21Å; D16-R26 WeakPolarHBondContact OD1-CG 3.44Å; D16-R26 IonicContact OD1-CZ 2.81Å; D16-R26 IonicContact OD1-NE 3.41Å; D16-R26 PolarHBondContact OD1-NE 2.85Å; D16-R26 IonicContact OD1-NH2 2.85Å; D16-R26 PolarHBondContact OD1-NH2 3.14Å; D16-R26 IonicContact OD2-CZ 3.23Å; D16-R26 IonicContact OD2-NE 3.59Å; D16-R26 IonicContact OD2-NH2 3.72Å; D16-R26 PolarHBondContact OD2-NH2 3.11Å; D16-I171 CarbonylContact O-C 3.35Å; D16-I171 WeakPolarHBondContact O-CA 3.42Å; D16-S172 PolarHBondContact O-N 3.23Å; D16-S172 PolarHBondContact O-OG 2.91Å; D16-Q173 HydrophobicContact CB-CB 4Å; D16-Q173 PolarHBondContact N-O 3.3Å
17V98.8Very high95.9Very high0 Ų044.6 Ų44.60%027%0.269CS..EExtended strand (participates in β ladder)trans-123135.5-173.3-177.60000110.5F15 V24 G25 M27 F65 V150 I154 V169 V170F15-V17 HydrophobicContact CB-CG2 4.18Å; V17-V24 HydrophobicContact CB-CG2 3.96Å; V17-V24 HydrophobicContact CG1-CG2 3.88Å; V17-V24 WeakPolarHBondContact O-CG2 3.41Å; V17-V24 PolarHBondContact O-N 2.9Å; V17-G25 PolarHBondContact N-O 2.82Å; V17-M27 HydrophobicContact CG2-CE 3.92Å; V17-F65 HydrophobicContact CG2-CE2 4.36Å; V17-V150 HydrophobicContact CB-CG1 4.14Å; V17-V150 HydrophobicContact CG2-CG1 4.29Å; V17-I154 HydrophobicContact CG1-CD1 3.94Å; V17-I154 HydrophobicContact CG1-CG1 4.23Å; V17-I154 HydrophobicContact CG2-CD1 4.34Å; V17-V169 HydrophobicContact CG1-CG1 3.75Å; V17-V170 WeakPolarHBondContact CA-O 3.17Å
18S98.7Very high96.7Very high11 Ų1146.4 Ų46.48%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-114.4149.8166.365.60000112.2Q22 V169 V170S18-Q22 CarbonylContact C-O 3.53Å; S18-Q22 WeakPolarHBondContact CA-O 3.39Å; S18-Q22 WeakPolarHBondContact CB-O 3.19Å; S18-V169 CarbonylContact O-C 3.54Å; S18-V169 WeakPolarHBondContact O-CA 3.35Å; S18-V170 PolarHBondContact N-O 2.55Å; S18-V170 PolarHBondContact O-N 3.07Å
19I98.6Very high97.7Very high24 Ų2440.2 Ų40.212%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-123.2119.1173.7-57.1-178.1000107.7G21 Q22 V24 K153 I154 V157 L167 P168 V169I19-G21 PolarHBondContact O-N 3.21Å; I19-Q22 PolarHBondContact N-O 3.09Å; I19-Q22 PolarHBondContact O-N 3Å; I19-V24 HydrophobicContact CB-CG1 3.97Å; I19-V24 HydrophobicContact CD1-CB 4.4Å; I19-V24 HydrophobicContact CD1-CG1 3.83Å; I19-V24 HydrophobicContact CD1-CG2 4Å; I19-V24 HydrophobicContact CG1-CB 4.42Å; I19-V24 HydrophobicContact CG1-CG1 3.73Å; I19-V24 HydrophobicContact CG1-CG2 3.86Å; I19-K153 HydrophobicContact CD1-CB 4.47Å; I19-I154 HydrophobicContact CD1-CG1 4.46Å; I19-V157 HydrophobicContact CD1-CG1 3.78Å; I19-V157 HydrophobicContact CG2-CG1 4.07Å; I19-L167 HydrophobicContact CG2-CB 4.2Å; I19-L167 HydrophobicContact CG2-CD1 4.46Å; I19-P168 CarbonylContact C-O 3.51Å; I19-P168 WeakPolarHBondContact CA-O 3.13Å; I19-V169 HydrophobicContact CG1-CG1 4.29Å; I19-V169 HydrophobicContact CG1-CG2 4.28Å; I19-V169 HydrophobicContact CG2-CG2 4.49Å
20G97.6Very high98.3Very high41 Ų4135 Ų3542%0.42320%0.202SC..THydrogen-bonded Turntrans58.328.8-17600000113.5P168G20-P168 PolarHBondContact N-O 3.45Å
21G97.2Very high98.4Very high66 Ų6634.6 Ų34.668%0.6820%0.2SC*.THydrogen-bonded Turntrans84.5-2.1-177.200000115.5I19I19-G21 PolarHBondContact O-N 3.21Å
22Q98.1Very high98.4Very high151 Ų15134.3 Ų34.371%0.70620%0.196SC*.EExtended strand (participates in β ladder)trans-97.4127174.4-63.8-174.3-4.500110.8S18 I19 V24S18-Q22 CarbonylContact C-O 3.53Å; S18-Q22 WeakPolarHBondContact CA-O 3.39Å; S18-Q22 WeakPolarHBondContact CB-O 3.19Å; I19-Q22 PolarHBondContact N-O 3.09Å; I19-Q22 PolarHBondContact O-N 3Å; Q22-V24 PolarHBondContact O-N 3.4Å
23E98.2Very high98.4Very high117 Ų11734.7 Ų34.755%0.54720%0.202SC..EExtended strand (participates in β ladder)trans-63126.7175.7-68.1-62.1145.900111.1S172E23-S172 WeakPolarHBondContact OE1-CB 3.45Å; E23-S172 PolarHBondContact OE1-OG 3.24Å; E23-S172 PolarHBondContact OE2-OG 3.35Å; E23-S172 VanDerWaalsContact OE2-OG 3.09Å
24V97.9Very high98.3Very high28 Ų2838.9 Ų38.917%0.1723%0.225CC..EExtended strand (participates in β ladder)trans-110.3-14.5-177.1-64.90000114V17 I19 Q22 V150 K153V17-V24 HydrophobicContact CB-CG2 3.96Å; V17-V24 HydrophobicContact CG1-CG2 3.88Å; V17-V24 WeakPolarHBondContact O-CG2 3.41Å; V17-V24 PolarHBondContact O-N 2.9Å; I19-V24 HydrophobicContact CB-CG1 3.97Å; I19-V24 HydrophobicContact CD1-CB 4.4Å; I19-V24 HydrophobicContact CD1-CG1 3.83Å; I19-V24 HydrophobicContact CD1-CG2 4Å; I19-V24 HydrophobicContact CG1-CB 4.42Å; I19-V24 HydrophobicContact CG1-CG1 3.73Å; I19-V24 HydrophobicContact CG1-CG2 3.86Å; Q22-V24 PolarHBondContact O-N 3.4Å; V24-V150 HydrophobicContact CG2-CG1 4.05Å; V24-K153 HydrophobicContact CB-CD 4.14Å; V24-K153 PolarHBondContact O-NZ 3.43Å
25G98.3Very high98.2Very high28 Ų2839.3 Ų39.329%0.28923%0.229SC..EExtended strand (participates in β ladder)trans138.9-178.2170.800000114V17V17-G25 PolarHBondContact N-O 2.82Å
26R98.6Very high98.2Very high101 Ų10139.3 Ų39.338%0.38123%0.229SC..EExtended strand (participates in β ladder)trans-100.4136.7177.8-175170-72.4-165.6-3.6111.6F14 F15 D16 G147F14-R26 HydrophobicContact CB-CG 4Å; F14-R26 HydrophobicContact CD2-CG 4.3Å; F15-R26 CarbonylContact O-C 3.27Å; F15-R26 VanDerWaalsContact O-CA 3.27Å; F15-R26 WeakPolarHBondContact O-CA 3.42Å; D16-R26 VanDerWaalsContact OD1-CB 3.27Å; D16-R26 WeakPolarHBondContact OD1-CB 3.21Å; D16-R26 WeakPolarHBondContact OD1-CG 3.44Å; D16-R26 IonicContact OD1-CZ 2.81Å; D16-R26 IonicContact OD1-NE 3.41Å; D16-R26 PolarHBondContact OD1-NE 2.85Å; D16-R26 IonicContact OD1-NH2 2.85Å; D16-R26 PolarHBondContact OD1-NH2 3.14Å; D16-R26 IonicContact OD2-CZ 3.23Å; D16-R26 IonicContact OD2-NE 3.59Å; D16-R26 IonicContact OD2-NH2 3.72Å; D16-R26 PolarHBondContact OD2-NH2 3.11Å; R26-G147 WeakPolarHBondContact O-CA 3.35Å
27M98.4Very high98.2Very high0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-102.4130.3162-66.7-170.4-71.700109.4F14 F15 V17 F65 I126 I144 D146 V150 M151 I154F14-M27 CarbonylContact C-O 3.6Å; F14-M27 WeakPolarHBondContact CA-O 3.49Å; F14-M27 WeakPolarHBondContact CB-O 3.49Å; F15-M27 HydrophobicContact CD2-CE 4.35Å; F15-M27 PolarHBondContact N-O 3Å; F15-M27 PolarHBondContact O-N 2.83Å; V17-M27 HydrophobicContact CG2-CE 3.92Å; M27-F65 HydrophobicContact CE-CE2 4.48Å; M27-F65 HydrophobicContact CE-CZ 3.91Å; M27-I126 HydrophobicContact CE-CD1 4.27Å; M27-I126 HydrophobicContact SD-CD1 4.43Å; M27-I144 HydrophobicContact SD-CD1 3.73Å; M27-D146 WeakPolarHBondContact CA-O 3.35Å; M27-V150 HydrophobicContact CG-CB 3.73Å; M27-V150 HydrophobicContact CG-CG1 3.87Å; M27-V150 HydrophobicContact SD-CB 4.41Å; M27-V150 HydrophobicContact SD-CG1 4.38Å; M27-M151 HydrophobicContact SD-CB 3.86Å; M27-I154 HydrophobicContact CE-CD1 3.82Å; M27-I154 HydrophobicContact SD-CD1 4.48Å
28K98.5Very high98.1Very high59 Ų5947.6 Ų47.626%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-105.1134.3169.2-56.4177.9-171.6148.80108.8V12 V13 I144 I145 D146 M177V12-K28 HydrophobicContact CG1-CB 4.35Å; V13-K28 WeakPolarHBondContact O-CA 3.41Å; K28-I144 WeakPolarHBondContact O-CA 3.38Å; K28-I145 HydrophobicContact CB-CD1 4.3Å; K28-I145 HydrophobicContact CB-CG1 3.83Å; K28-I145 WeakPolarHBondContact O-CG1 3.36Å; K28-I145 PolarHBondContact O-N 3.12Å; K28-D146 HydrophobicContact CB-CB 3.89Å; K28-D146 HydrophobicContact CD-CB 3.76Å; K28-D146 WeakPolarHBondContact CE-OD2 3.39Å; K28-D146 HydrophobicContact CG-CB 3.97Å; K28-D146 PolarHBondContact N-O 3.01Å; K28-D146 IonicContact NZ-OD2 3.68Å; K28-D146 PolarHBondContact NZ-OD2 3Å; K28-D146 PolarHBondContact O-N 3.39Å; K28-M177 HydrophobicContact CB-SD 4.42Å; K28-M177 HydrophobicContact CD-CE 4.23Å; K28-M177 HydrophobicContact CD-SD 3.56Å; K28-M177 VanDerWaalsContact CD-SD 3.56Å; K28-M177 HydrophobicContact CG-SD 3.73Å
29I98.7Very high98.1Very high0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-130.1121.6-170.4-52.5171.6000107.8V12 V13 F15 L31 L110 K143 I144V12-I29 WeakPolarHBondContact CA-O 3.28Å; V13-I29 HydrophobicContact CG2-CB 4Å; V13-I29 PolarHBondContact N-O 3.34Å; V13-I29 PolarHBondContact O-N 3.19Å; F15-I29 HydrophobicContact CD2-CD1 3.8Å; F15-I29 HydrophobicContact CE2-CD1 3.83Å; I29-L31 HydrophobicContact CG2-CD2 4.09Å; I29-L110 HydrophobicContact CG2-CB 4.39Å; I29-L110 HydrophobicContact CG2-CD2 3.65Å; I29-K143 CarbonylContact C-O 3.52Å; I29-K143 VanDerWaalsContact CA-O 3.29Å; I29-K143 WeakPolarHBondContact CA-O 3.25Å; I29-I144 HydrophobicContact CG1-CG1 4.39Å
30E98.5Very high98.1Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-78.3132.6166.4-179.8-174.1171.600109.1N5 S6 S7 N10 F32 G142 K143 I145N5-E30 VanDerWaalsContact CA-OE2 3.27Å; N5-E30 WeakPolarHBondContact CA-OE2 3.2Å; S6-E30 WeakPolarHBondContact CB-OE1 3.34Å; S6-E30 VanDerWaalsContact N-CD 3.29Å; S6-E30 PolarHBondContact N-OE1 2.87Å; S6-E30 PolarHBondContact N-OE2 3.19Å; S6-E30 PolarHBondContact OG-OE1 3.2Å; S6-E30 PolarHBondContact OG-OE2 3.33Å; S7-E30 PolarHBondContact N-OE1 2.86Å; N10-E30 HydrophobicContact CB-CG 3.81Å; N10-E30 PolarHBondContact ND2-OE1 3.06Å; E30-F32 HydrophobicContact CG-CD1 4.35Å; E30-F32 HydrophobicContact CG-CE1 4.32Å; E30-G142 CarbonylContact O-C 3.53Å; E30-G142 WeakPolarHBondContact O-CA 3.28Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 3.34Å; E30-K143 PolarHBondContact O-N 3.49Å; E30-K143 WeakPolarHBondContact OE2-CE 3.34Å; E30-K143 IonicContact OE2-NZ 3.28Å; E30-K143 PolarHBondContact OE2-NZ 3.38Å; E30-I145 HydrophobicContact CB-CG2 3.73Å
31L98.7Very high98.2Very high0 Ų046.9 Ų46.90%026%0.256CS..EExtended strand (participates in β ladder)trans-100.6128.3173.2-53.8-177.2000109.8N10 P11 V13 I29 A33 A40 F43 R44 L110 F141N10-L31 WeakPolarHBondContact CB-O 3.37Å; N10-L31 PolarHBondContact OD1-O 3.38Å; P11-L31 HydrophobicContact CB-CB 4.46Å; P11-L31 HydrophobicContact CB-CD1 4.43Å; P11-L31 PolarHBondContact O-N 3.28Å; V13-L31 HydrophobicContact CG1-CD1 3.76Å; V13-L31 HydrophobicContact CG1-CG 4.39Å; V13-L31 HydrophobicContact CG2-CD1 4.04Å; V13-L31 HydrophobicContact CG2-CD2 3.91Å; V13-L31 HydrophobicContact CG2-CG 3.99Å; I29-L31 HydrophobicContact CG2-CD2 4.09Å; L31-A33 PolarHBondContact O-N 3.13Å; L31-A40 HydrophobicContact CB-CB 4Å; L31-F43 HydrophobicContact CD1-CD1 4.08Å; L31-F43 HydrophobicContact CD2-CD1 3.67Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.43Å; L31-R44 HydrophobicContact CD1-CB 3.81Å; L31-R44 HydrophobicContact CD1-CG 4.36Å; L31-L110 HydrophobicContact CD2-CD2 3.93Å; L31-F141 HydrophobicContact CD2-CD2 4.34Å; L31-F141 HydrophobicContact CD2-CE2 4.29Å
32F98.4Very high98.3Very high18 Ų1843.8 Ų43.88%0.07922%0.223CC..  trans-80.459.7-176.4-54.8-40.5000112E30 D34 V35 V36 L102 V140 F141 G142 K143E30-F32 HydrophobicContact CG-CD1 4.35Å; E30-F32 HydrophobicContact CG-CE1 4.32Å; F32-D34 WeakPolarHBondContact CA-OD1 3.45Å; F32-D34 PolarHBondContact O-N 3.48Å; F32-V35 HydrophobicContact CB-CB 4.37Å; F32-V35 PolarHBondContact O-N 3.23Å; F32-V36 HydrophobicContact CB-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 2.79Å; F32-L102 HydrophobicContact CB-CD1 4.18Å; F32-L102 HydrophobicContact CD2-CD1 3.25Å; F32-L102 HydrophobicContact CE2-CD1 3.82Å; F32-L102 HydrophobicContact CG-CD1 3.98Å; F32-V140 HydrophobicContact CE2-CG1 4.18Å; F32-F141 VanDerWaalsContact CD2-C 3.41Å; F32-F141 PolarHBondContact N-O 3.16Å; F32-G142 VanDerWaalsContact CD2-CA 3.48Å; F32-G142 VanDerWaalsContact CD2-N 3.28Å; F32-G142 VanDerWaalsContact CE2-CA 3.43Å; F32-G142 WeakPolarHBondContact CE2-O 2.81Å; F32-K143 HydrophobicContact CE1-CD 4.07Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.81Å; F32-K143 HydrophobicContact CZ-CD 3.86Å; F32-K143 HydrophobicContact CZ-CG 3.66Å
33A97.9Very high98.3Very high30 Ų3036.6 Ų36.625%0.24819%0.19CC..THydrogen-bonded Turntrans-63-23.8-179.300000112.8N10 P11 L31 V35 P37 A40N10-A33 PolarHBondContact OD1-N 3.15Å; P11-A33 HydrophobicContact CG-CB 4.19Å; L31-A33 PolarHBondContact O-N 3.13Å; A33-V35 VanDerWaalsContact C-N 3.3Å; A33-P37 WeakPolarHBondContact O-CA 2.79Å; A33-P37 WeakPolarHBondContact O-CB 3.37Å; A33-P37 WeakPolarHBondContact O-CD 3.44Å; A33-A40 HydrophobicContact CB-CB 3.94Å
34D96.9Very high98.3Very high88 Ų8832 Ų3247%0.47117%0.167SC..THydrogen-bonded Turntrans-67.8-24.7171.564.1-30.8000114.1N10 F32N10-D34 PolarHBondContact ND2-OD1 2.94Å; N10-D34 PolarHBondContact OD1-N 3.02Å; N10-D34 VanDerWaalsContact OD1-N 3.12Å; N10-D34 PolarHBondContact OD1-OD1 2.9Å; F32-D34 WeakPolarHBondContact CA-OD1 3.45Å; F32-D34 PolarHBondContact O-N 3.48Å
35V97.3Very high98.4Very high38 Ų3832.5 Ų32.523%0.2317%0.168CC..THydrogen-bonded Turntrans-107.9-38.8-178.5-173.40000112.7F32 A33 N99 K101 L102F32-V35 HydrophobicContact CB-CB 4.37Å; F32-V35 PolarHBondContact O-N 3.23Å; A33-V35 VanDerWaalsContact C-N 3.3Å; V35-N99 PolarHBondContact O-ND2 3.1Å; V35-K101 HydrophobicContact CG1-CB 4.41Å; V35-K101 HydrophobicContact CG1-CD 4.29Å; V35-L102 HydrophobicContact CB-CD1 4.33Å; V35-L102 HydrophobicContact CG1-CD1 4.15Å; V35-L102 HydrophobicContact CG1-CG 4.15Å
36V98.1Very high98.4Very high0 Ų031.2 Ų31.20%015%0.154CC..  trans-136.564.6-175.2-73.70000110.8F32 K38 T39 A40 E98 N99 V139 F141F32-V36 HydrophobicContact CB-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CG2 3.44Å; F32-V36 PolarHBondContact O-N 2.79Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.99Å; V36-T39 PolarHBondContact O-N 3.35Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 2.86Å; V36-E98 VanDerWaalsContact CA-CD 3.47Å; V36-E98 VanDerWaalsContact CA-OE2 3.28Å; V36-E98 WeakPolarHBondContact CA-OE2 2.88Å; V36-E98 HydrophobicContact CB-CG 4.43Å; V36-E98 WeakPolarHBondContact CB-OE2 3.31Å; V36-E98 HydrophobicContact CG1-CB 4.27Å; V36-E98 HydrophobicContact CG1-CG 4.25Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.39Å; V36-V139 HydrophobicContact CG1-CG1 3.89Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å
37P98.1Very high98.4Very high69 Ų6926.5 Ų26.545%0.44814%0.137SC..Hα-helixtrans-57.1-36.8-173.920.4-32.9000113.9A33 E41 E98A33-P37 WeakPolarHBondContact O-CA 2.79Å; A33-P37 WeakPolarHBondContact O-CB 3.37Å; A33-P37 WeakPolarHBondContact O-CD 3.44Å; P37-E41 VanDerWaalsContact O-CB 3.22Å; P37-E41 WeakPolarHBondContact O-CB 3.11Å; P37-E41 PolarHBondContact O-N 3.32Å; P37-E98 WeakPolarHBondContact CD-OE1 3.34Å; P37-E98 WeakPolarHBondContact CG-OE1 3.27Å
38K98.5Very high98.4Very high130 Ų13028.8 Ų28.857%0.56515%0.151SC*.Hα-helixtrans-71-44.8179.9-63.8179.5178.7178.80111.5V36 E41 N42 Y91 E98V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 2.99Å; K38-E41 PolarHBondContact O-N 2.76Å; K38-N42 WeakPolarHBondContact O-CB 3.24Å; K38-N42 PolarHBondContact O-N 3.01Å; K38-Y91 VanDerWaalsContact CA-OH 3.26Å; K38-Y91 WeakPolarHBondContact CA-OH 3.17Å; K38-Y91 HydrophobicContact CB-CE2 4.32Å; K38-Y91 WeakPolarHBondContact CB-OH 3.41Å; K38-Y91 PolarHBondContact O-OH 2.81Å; K38-E98 WeakPolarHBondContact CB-OE2 3.44Å; K38-E98 PolarHBondContact N-OE1 3.3Å; K38-E98 PolarHBondContact N-OE2 2.87Å; K38-E98 VanDerWaalsContact N-OE2 3.14Å
39T98.7Very high98.2Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-66.1-43.3-179.5-47.70000110.7V36 F43 F95 E98 M112 V139 F141V36-T39 PolarHBondContact O-N 3.35Å; T39-F43 PolarHBondContact O-N 2.95Å; T39-F95 HydrophobicContact CG2-CE2 4.44Å; T39-F95 HydrophobicContact CG2-CZ 4.3Å; T39-E98 PolarHBondContact N-OE2 3.49Å; T39-E98 PolarHBondContact OG1-OE2 3.18Å; T39-M112 HydrophobicContact CG2-CG 3.5Å; T39-M112 VanDerWaalsContact CG2-CG 3.5Å; T39-M112 HydrophobicContact CG2-SD 3.8Å; T39-V139 HydrophobicContact CG2-CG1 4.23Å; T39-F141 HydrophobicContact CG2-CB 3.66Å; T39-F141 HydrophobicContact CG2-CD1 3.71Å; T39-F141 HydrophobicContact CG2-CD2 4.21Å; T39-F141 HydrophobicContact CG2-CE1 4.38Å; T39-F141 HydrophobicContact CG2-CG 3.61Å
40A98.6Very high98.1Very high2 Ų231.7 Ų31.72%0.01717%0.17CC..Hα-helixtrans-60.7-47.5174.900000111.9L31 A33 V36 N42 F43 R44L31-A40 HydrophobicContact CB-CB 4Å; A33-A40 HydrophobicContact CB-CB 3.94Å; V36-A40 VanDerWaalsContact O-CB 3.29Å; V36-A40 WeakPolarHBondContact O-CB 3.39Å; V36-A40 PolarHBondContact O-N 2.86Å; A40-N42 PolarHBondContact O-N 3.17Å; A40-F43 PolarHBondContact O-N 2.81Å; A40-R44 WeakPolarHBondContact O-CB 3.41Å; A40-R44 PolarHBondContact O-N 2.9Å
41E98.6Very high98Very high60 Ų6033.3 Ų33.328%0.2818%0.177SC..Hα-helixtrans-65.4-38.6-178.9-178.556.9-163.500112.5P37 K38 F43 R44 Q45 I90P37-E41 VanDerWaalsContact O-CB 3.22Å; P37-E41 WeakPolarHBondContact O-CB 3.11Å; P37-E41 PolarHBondContact O-N 3.32Å; K38-E41 PolarHBondContact O-N 2.76Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; E41-R44 PolarHBondContact O-N 2.82Å; E41-R44 IonicContact OE1-CZ 3.28Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.36Å; E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 VanDerWaalsContact OE1-CG 3.3Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.23Å; E41-Q45 PolarHBondContact OE1-NE2 2.85Å; E41-I90 HydrophobicContact CG-CD1 3.9Å
42N98.7Very high97.8Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-57-46.8173.4176.473.1000111.8K38 A40 F46 S89 I90 Y91 F95 G121K38-N42 WeakPolarHBondContact O-CB 3.24Å; K38-N42 PolarHBondContact O-N 3.01Å; A40-N42 PolarHBondContact O-N 3.17Å; N42-F46 WeakPolarHBondContact O-CD2 3.47Å; N42-F46 PolarHBondContact O-N 3.4Å; N42-F46 VanDerWaalsContact OD1-CE2 3.27Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.35Å; N42-S89 VanDerWaalsContact OD1-CA 3.29Å; N42-S89 WeakPolarHBondContact OD1-CA 3.2Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.25Å; N42-I90 HydrophobicContact CB-CD1 4.35Å; N42-I90 HydrophobicContact CB-CG1 4.12Å; N42-I90 PolarHBondContact OD1-N 2.9Å; N42-Y91 HydrophobicContact CB-CE2 4.05Å; N42-F95 HydrophobicContact CB-CE1 4.45Å; N42-F95 HydrophobicContact CB-CZ 4.37Å; N42-G121 PolarHBondContact ND2-O 2.99Å
43F98.8Very high97.3Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-68.3-43.7178.9-167.5-92.8000112.2V13 F15 L31 T39 A40 E41 Q45 F46 C47 Y60 L110 F124 F141V13-F43 HydrophobicContact CG2-CD1 4.08Å; V13-F43 HydrophobicContact CG2-CE1 3.79Å; F15-F43 HydrophobicContact CE1-CZ 4.43Å; F15-F43 HydrophobicContact CE2-CE1 4.39Å; F15-F43 AromaticContact CE2-CZ 3.74Å; F15-F43 HydrophobicContact CE2-CZ 3.74Å; F15-F43 AromaticContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE1 3.83Å; F15-F43 HydrophobicContact CZ-CE2 4.26Å; F15-F43 AromaticContact CZ-CZ 3.36Å; F15-F43 HydrophobicContact CZ-CZ 3.36Å; L31-F43 HydrophobicContact CD1-CD1 4.08Å; L31-F43 HydrophobicContact CD2-CD1 3.67Å; L31-F43 HydrophobicContact CD2-CE1 4.11Å; L31-F43 HydrophobicContact CD2-CG 4.43Å; T39-F43 PolarHBondContact O-N 2.95Å; A40-F43 PolarHBondContact O-N 2.81Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 3.34Å; F43-Q45 PolarHBondContact O-N 3.19Å; F43-F46 PolarHBondContact O-N 2.91Å; F43-C47 WeakPolarHBondContact CE1-SG 3.47Å; F43-C47 PolarHBondContact O-N 2.82Å; F43-C47 PolarHBondContact O-SG 2.9Å; F43-Y60 HydrophobicContact CD1-CE2 4.26Å; F43-Y60 AromaticContact CD2-CE2 3.49Å; F43-Y60 HydrophobicContact CD2-CE2 3.49Å; F43-Y60 VanDerWaalsContact CD2-CE2 3.49Å; F43-Y60 AromaticContact CD2-CZ 3.72Å; F43-Y60 VanDerWaalsContact CD2-OH 3.24Å; F43-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y60 HydrophobicContact CE1-CE2 4.28Å; F43-Y60 HydrophobicContact CE2-CD2 4.42Å; F43-Y60 AromaticContact CE2-CE2 3.53Å; F43-Y60 HydrophobicContact CE2-CE2 3.53Å; F43-Y60 AromaticContact CE2-CZ 3.8Å; F43-Y60 AromaticContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CZ-CD2 4.47Å; F43-Y60 AromaticContact CZ-CE2 3.96Å; F43-Y60 HydrophobicContact CZ-CE2 3.96Å; F43-L110 HydrophobicContact CD1-CD2 4.2Å; F43-L110 HydrophobicContact CD2-CD2 4.35Å; F43-L110 HydrophobicContact CE1-CD2 3.76Å; F43-L110 HydrophobicContact CE2-CD1 4.09Å; F43-L110 HydrophobicContact CE2-CD2 3.92Å; F43-L110 HydrophobicContact CG-CD2 4.45Å; F43-L110 HydrophobicContact CZ-CD1 4.1Å; F43-L110 HydrophobicContact CZ-CD2 3.59Å; F43-L110 HydrophobicContact CZ-CG 4.48Å; F43-F124 HydrophobicContact CD2-CD1 4.4Å; F43-F124 HydrophobicContact CE2-CB 4.03Å; F43-F124 AromaticContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD2 4.2Å; F43-F124 AromaticContact CE2-CE1 3.92Å; F43-F124 HydrophobicContact CE2-CE1 3.92Å; F43-F124 AromaticContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.32Å; F43-F124 HydrophobicContact CZ-CE1 4.33Å; F43-F124 HydrophobicContact CZ-CG 4.43Å; F43-F124 HydrophobicContact CZ-CZ 4.49Å; F43-F141 HydrophobicContact CB-CD2 4.33Å; F43-F141 HydrophobicContact CB-CE2 3.53Å; F43-F141 HydrophobicContact CB-CZ 4.2Å; F43-F141 HydrophobicContact CD1-CE2 4.1Å; F43-F141 AromaticContact CD2-CE2 3.47Å; F43-F141 HydrophobicContact CD2-CE2 3.47Å; F43-F141 VanDerWaalsContact CD2-CE2 3.47Å; F43-F141 AromaticContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CD2-CZ 3.42Å; F43-F141 VanDerWaalsContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CE2-CE2 4.1Å; F43-F141 AromaticContact CE2-CZ 3.86Å; F43-F141 HydrophobicContact CE2-CZ 3.86Å; F43-F141 AromaticContact CG-CE2 3.44Å; F43-F141 HydrophobicContact CG-CE2 3.44Å; F43-F141 VanDerWaalsContact CG-CE2 3.44Å; F43-F141 AromaticContact CG-CZ 3.92Å; F43-F141 HydrophobicContact CG-CZ 3.92Å
44R98.7Very high96.9Very high22 Ų2251.8 Ų51.88%0.08326%0.255CS..Hα-helixtrans-57.2-48.1179.9-167.4-16168.672.86.4111.5V13 L31 A40 E41 F46 C47 T48 E50 E176V13-R44 HydrophobicContact CG1-CG 4.07Å; L31-R44 HydrophobicContact CD1-CB 3.81Å; L31-R44 HydrophobicContact CD1-CG 4.36Å; A40-R44 WeakPolarHBondContact O-CB 3.41Å; A40-R44 PolarHBondContact O-N 2.9Å; E41-R44 PolarHBondContact O-N 2.82Å; E41-R44 IonicContact OE1-CZ 3.28Å; E41-R44 IonicContact OE1-NE 3.7Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 2.85Å; E41-R44 IonicContact OE2-CZ 2.86Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 PolarHBondContact OE2-NE 2.88Å; E41-R44 IonicContact OE2-NH2 3.36Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.39Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.3Å; R44-C47 WeakPolarHBondContact O-CB 3.18Å; R44-C47 PolarHBondContact O-N 2.85Å; R44-T48 PolarHBondContact O-N 3.11Å; R44-T48 PolarHBondContact O-OG1 3.26Å; R44-E50 IonicContact CZ-OE1 3.3Å; R44-E50 IonicContact CZ-OE2 3.64Å; R44-E50 IonicContact NH1-OE1 2.69Å; R44-E50 PolarHBondContact NH1-OE1 2.94Å; R44-E50 IonicContact NH1-OE2 3.64Å; R44-E50 IonicContact NH2-OE1 2.76Å; R44-E50 PolarHBondContact NH2-OE1 3.35Å; R44-E50 IonicContact NH2-OE2 3.98Å; R44-E50 PolarHBondContact NH2-OE2 2.88Å; R44-E176 WeakPolarHBondContact CD-OE2 3.49Å; R44-E176 IonicContact CZ-OE2 3.48Å; R44-E176 IonicContact NE-OE2 2.79Å; R44-E176 IonicContact NH1-OE2 3.66Å; R44-E176 PolarHBondContact NH1-OE2 2.97Å
45Q98.6Very high96.6Very high37 Ų3750 Ų5017%0.17326%0.257CS..Hα-helixtrans-64.3-32.5179.4-73.7-16527.800113.4E41 F43 T48 G49 E50 F51 I90E41-Q45 PolarHBondContact O-N 3.09Å; E41-Q45 VanDerWaalsContact OE1-CG 3.3Å; E41-Q45 WeakPolarHBondContact OE1-CG 3.23Å; E41-Q45 PolarHBondContact OE1-NE2 2.85Å; F43-Q45 PolarHBondContact O-N 3.19Å; Q45-T48 PolarHBondContact O-N 2.8Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; Q45-G49 WeakPolarHBondContact O-CA 3.3Å; Q45-G49 PolarHBondContact O-N 2.69Å; Q45-E50 HydrophobicContact CG-CB 4.3Å; Q45-E50 PolarHBondContact O-N 3.35Å; Q45-F51 HydrophobicContact CB-CB 4.33Å; Q45-I90 HydrophobicContact CB-CG2 3.8Å; Q45-I90 HydrophobicContact CG-CD1 4.37Å; Q45-I90 HydrophobicContact CG-CG2 4.45Å
46F98.6Very high96.3Very high1 Ų152.5 Ų52.50%0.00427%0.272CS..Hα-helixtrans-74.7-25.2172.8-67.5-39.3000112.9N42 F43 R44 F51 G59 Y60 F79 I90 C122N42-F46 WeakPolarHBondContact O-CD2 3.47Å; N42-F46 PolarHBondContact O-N 3.4Å; N42-F46 VanDerWaalsContact OD1-CE2 3.27Å; N42-F46 WeakPolarHBondContact OD1-CE2 3.35Å; F43-F46 PolarHBondContact O-N 2.91Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 3.39Å; F46-F51 HydrophobicContact CD1-CB 4.43Å; F46-F51 HydrophobicContact CE1-CB 4.24Å; F46-F51 AromaticContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CG 4.22Å; F46-G59 CarbonylContact O-C 3.52Å; F46-G59 VanDerWaalsContact O-CA 3.23Å; F46-G59 WeakPolarHBondContact O-CA 3.46Å; F46-Y60 HydrophobicContact CB-CD1 4.42Å; F46-Y60 HydrophobicContact CB-CD2 3.66Å; F46-Y60 HydrophobicContact CB-CE1 4.19Å; F46-Y60 HydrophobicContact CB-CE2 3.4Å; F46-Y60 VanDerWaalsContact CB-CE2 3.4Å; F46-Y60 HydrophobicContact CB-CG 4.18Å; F46-Y60 HydrophobicContact CD2-CE2 4.46Å; F46-Y60 HydrophobicContact CG-CE2 4.43Å; F46-Y60 PolarHBondContact O-N 3.09Å; F46-F79 HydrophobicContact CB-CE1 4.3Å; F46-F79 AromaticContact CD1-CE1 3.83Å; F46-F79 HydrophobicContact CD1-CE1 3.83Å; F46-F79 AromaticContact CD1-CZ 3.72Å; F46-F79 HydrophobicContact CD1-CZ 3.72Å; F46-F79 AromaticContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CZ 4.24Å; F46-F79 HydrophobicContact CE1-CE1 4.09Å; F46-F79 HydrophobicContact CE1-CE2 4.48Å; F46-F79 AromaticContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.05Å; F46-F79 AromaticContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CZ 4.09Å; F46-F79 HydrophobicContact CZ-CE1 4.28Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; F46-I90 HydrophobicContact CE1-CG2 4.02Å; F46-I90 HydrophobicContact CE2-CG2 4.42Å; F46-I90 HydrophobicContact CZ-CG2 3.97Å; F46-C122 HydrophobicContact CD2-CB 4.29Å; F46-C122 HydrophobicContact CE2-CB 3.92Å; F46-C122 HydrophobicContact CZ-CB 4.5Å
47C98.6Very high96.1Very high3 Ų355.8 Ų55.82%0.0229%0.294CS..Hα-helixtrans-69.4-44.2167.7-68.90000111.5V13 F15 F43 R44 C174 G175V13-C47 HydrophobicContact CB-CB 4.11Å; V13-C47 HydrophobicContact CG1-CB 4.02Å; F15-C47 VanDerWaalsContact CE1-SG 3.58Å; F43-C47 WeakPolarHBondContact CE1-SG 3.47Å; F43-C47 PolarHBondContact O-N 2.82Å; F43-C47 PolarHBondContact O-SG 2.9Å; R44-C47 WeakPolarHBondContact O-CA 3.49Å; R44-C47 VanDerWaalsContact O-CB 3.3Å; R44-C47 WeakPolarHBondContact O-CB 3.18Å; R44-C47 PolarHBondContact O-N 2.85Å; C47-C174 CarbonylContact O-C 3.33Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.97Å; C47-G175 WeakPolarHBondContact O-CA 3.49Å; C47-G175 PolarHBondContact O-N 3.4Å
48T98.3Very high95.9Very high47 Ų4754.4 Ų54.429%0.28828%0.282SS..Hα-helixtrans-84.2-22.6-174.6620000114.1R44 Q45 E50 E176R44-T48 PolarHBondContact O-N 3.11Å; R44-T48 PolarHBondContact O-OG1 3.26Å; Q45-T48 PolarHBondContact O-N 2.8Å; Q45-T48 PolarHBondContact O-OG1 2.72Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE1 3.27Å; T48-E50 VanDerWaalsContact OG1-CD 3.3Å; T48-E50 WeakPolarHBondContact OG1-CG 3.27Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.84Å; T48-E176 HydrophobicContact CG2-CB 3.69Å
49G95.8Very high95.9Very high18 Ų1848.8 Ų48.819%0.18626%0.261CS..THydrogen-bonded Turntrans75.519.2-173.100000113.4Q45 F51 P57Q45-G49 WeakPolarHBondContact O-CA 3.3Å; Q45-G49 PolarHBondContact O-N 2.69Å; G49-F51 VanDerWaalsContact C-N 3.27Å; G49-P57 WeakPolarHBondContact O-CB 3.41Å
50E96.8Very high95.9Very high102 Ų10248.8 Ų48.848%0.47726%0.261SS..  trans-64.3-34.5172.7-80.7166.2-122.800112R44 Q45 T48 R52R44-E50 IonicContact CZ-OE1 3.3Å; R44-E50 IonicContact CZ-OE2 3.64Å; R44-E50 IonicContact NH1-OE1 2.69Å; R44-E50 PolarHBondContact NH1-OE1 2.94Å; R44-E50 IonicContact NH1-OE2 3.64Å; R44-E50 IonicContact NH2-OE1 2.76Å; R44-E50 PolarHBondContact NH2-OE1 3.35Å; R44-E50 IonicContact NH2-OE2 3.98Å; R44-E50 PolarHBondContact NH2-OE2 2.88Å; Q45-E50 HydrophobicContact CG-CB 4.3Å; Q45-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE1 3.27Å; T48-E50 VanDerWaalsContact OG1-CD 3.3Å; T48-E50 WeakPolarHBondContact OG1-CG 3.27Å; T48-E50 PolarHBondContact OG1-N 3.28Å; T48-E50 PolarHBondContact OG1-OE1 2.84Å; E50-R52 PolarHBondContact O-N 2.89Å
51F95.4Very high95.9Very high34 Ų3454.8 Ų54.815%0.14929%0.287CS..SBendtrans-72.6125173.8-169.5-99000110.4Q45 F46 G49 I58 I90Q45-F51 HydrophobicContact CB-CB 4.33Å; F46-F51 HydrophobicContact CD1-CB 4.43Å; F46-F51 HydrophobicContact CE1-CB 4.24Å; F46-F51 AromaticContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CD1 3.87Å; F46-F51 HydrophobicContact CE1-CG 4.22Å; G49-F51 VanDerWaalsContact C-N 3.27Å; F51-I58 HydrophobicContact CD1-CD1 3.67Å; F51-I58 HydrophobicContact CD1-CG1 3.58Å; F51-I58 HydrophobicContact CE1-CD1 3.7Å; F51-I58 HydrophobicContact CE1-CG1 4.13Å; F51-I58 PolarHBondContact O-N 2.77Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD2-CB 3.75Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.13Å; F51-I90 HydrophobicContact CE2-CG2 4.49Å; F51-I90 HydrophobicContact CG-CB 4.35Å; F51-I90 HydrophobicContact CG-CG2 3.84Å
52R94Very high95.8Very high153 Ų15354.4 Ų54.458%0.57730%0.299SS*.EExtended strand (participates in β ladder)trans-120.1134.6-177.7-65.7178.8176.1-127.86.5111E50 G55 V56 P57E50-R52 PolarHBondContact O-N 2.89Å; R52-G55 PolarHBondContact NH1-O 3.02Å; R52-V56 CarbonylContact C-O 3.59Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.44Å; R52-P57 HydrophobicContact CG-CG 4.48Å
53K88.3Confident95.8Very high131 Ų13154.8 Ų54.857%0.5730%0.302SS*.EExtended strand (participates in β ladder)trans-109.2121.5167.9-176.5176.9178.7-176.30108G55 V56 I58K53-G55 PolarHBondContact O-N 2.83Å; K53-V56 PolarHBondContact N-O 2.92Å; K53-V56 WeakPolarHBondContact O-CB 3.49Å; K53-V56 PolarHBondContact O-N 3.2Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.45Å; K53-I58 HydrophobicContact CB-CG2 4.04Å
54D90.3Very high95.8Very high152 Ų15256.6 Ų56.681%0.81331%0.313SS*.THydrogen-bonded Turntrans53.538.4-178-50.9-43000113.1V56D54-V56 PolarHBondContact O-N 2.83Å
55G90.8Very high95.8Very high50 Ų5055.7 Ų55.752%0.51531%0.309SS..THydrogen-bonded Turntrans81.1-9.6-179.200000115.1R52 K53R52-G55 PolarHBondContact NH1-O 3.02Å; K53-G55 PolarHBondContact O-N 2.83Å
56V91.4Very high95.8Very high91 Ų9154.6 Ų54.655%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans-94.1127.4-179.1-174.60000110.2R52 K53 D54 I58R52-V56 CarbonylContact C-O 3.59Å; R52-V56 VanDerWaalsContact CA-O 3.24Å; R52-V56 WeakPolarHBondContact CA-O 3.44Å; K53-V56 PolarHBondContact N-O 2.92Å; K53-V56 WeakPolarHBondContact O-CB 3.49Å; K53-V56 PolarHBondContact O-N 3.2Å; D54-V56 PolarHBondContact O-N 2.83Å; V56-I58 PolarHBondContact O-N 2.97Å
57P93.4Very high95.8Very high69 Ų6958.7 Ų58.745%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-55.6130.6170.9-25.835.8000111.2G49 R52G49-P57 WeakPolarHBondContact O-CB 3.41Å; R52-P57 HydrophobicContact CG-CG 4.48Å
58I93.9Very high95.8Very high40 Ų4058.7 Ų58.721%0.20532%0.319CS..  trans-123.4146.5170.766.9168000109.5F51 K53 V56 F79F51-I58 HydrophobicContact CD1-CD1 3.67Å; F51-I58 HydrophobicContact CD1-CG1 3.58Å; F51-I58 HydrophobicContact CE1-CD1 3.7Å; F51-I58 HydrophobicContact CE1-CG1 4.13Å; F51-I58 PolarHBondContact O-N 2.77Å; K53-I58 HydrophobicContact CB-CD1 3.98Å; K53-I58 HydrophobicContact CB-CG1 4.45Å; K53-I58 HydrophobicContact CB-CG2 4.04Å; V56-I58 PolarHBondContact O-N 2.97Å; I58-F79 HydrophobicContact CD1-CE2 3.96Å; I58-F79 HydrophobicContact CG1-CE2 4.44Å
59G97.3Very high95.8Very high13 Ų1358.1 Ų58.113%0.13432%0.315CS..SBendtrans166.2-160-175.900000112.9F46 K61 F79F46-G59 CarbonylContact O-C 3.52Å; F46-G59 VanDerWaalsContact O-CA 3.23Å; F46-G59 WeakPolarHBondContact O-CA 3.46Å; G59-K61 PolarHBondContact O-N 2.94Å; G59-F79 VanDerWaalsContact O-CB 3.25Å; G59-F79 WeakPolarHBondContact O-CB 3.47Å; G59-F79 WeakPolarHBondContact O-CD1 3.25Å; G59-F79 WeakPolarHBondContact O-CG 3.45Å
60Y98.7Very high95.9Very high0 Ų063 Ų630%033%0.33CS..SBendtrans-79.3-17.8-168.3-63.6-46.7000114.8F15 F43 F46 G62 S63 G77 F79 C122 F124 I171F15-Y60 AromaticContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CD2 3.89Å; F15-Y60 HydrophobicContact CE1-CG 4.21Å; F15-Y60 AromaticContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CD2 3.82Å; F15-Y60 HydrophobicContact CZ-CE2 4.4Å; F15-Y60 HydrophobicContact CZ-CG 4.19Å; F43-Y60 HydrophobicContact CD1-CE2 4.26Å; F43-Y60 AromaticContact CD2-CE2 3.49Å; F43-Y60 HydrophobicContact CD2-CE2 3.49Å; F43-Y60 VanDerWaalsContact CD2-CE2 3.49Å; F43-Y60 AromaticContact CD2-CZ 3.72Å; F43-Y60 VanDerWaalsContact CD2-OH 3.24Å; F43-Y60 WeakPolarHBondContact CD2-OH 3.49Å; F43-Y60 HydrophobicContact CE1-CE2 4.28Å; F43-Y60 HydrophobicContact CE2-CD2 4.42Å; F43-Y60 AromaticContact CE2-CE2 3.53Å; F43-Y60 HydrophobicContact CE2-CE2 3.53Å; F43-Y60 AromaticContact CE2-CZ 3.8Å; F43-Y60 AromaticContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CG-CE2 3.9Å; F43-Y60 HydrophobicContact CZ-CD2 4.47Å; F43-Y60 AromaticContact CZ-CE2 3.96Å; F43-Y60 HydrophobicContact CZ-CE2 3.96Å; F46-Y60 HydrophobicContact CB-CD1 4.42Å; F46-Y60 HydrophobicContact CB-CD2 3.66Å; F46-Y60 HydrophobicContact CB-CE1 4.19Å; F46-Y60 HydrophobicContact CB-CE2 3.4Å; F46-Y60 VanDerWaalsContact CB-CE2 3.4Å; F46-Y60 HydrophobicContact CB-CG 4.18Å; F46-Y60 HydrophobicContact CD2-CE2 4.46Å; F46-Y60 HydrophobicContact CG-CE2 4.43Å; F46-Y60 PolarHBondContact O-N 3.09Å; Y60-G62 PolarHBondContact O-N 2.87Å; Y60-S63 VanDerWaalsContact O-CB 3.3Å; Y60-S63 WeakPolarHBondContact O-CB 3.45Å; Y60-S63 PolarHBondContact O-N 3.17Å; Y60-S63 PolarHBondContact O-OG 2.98Å; Y60-G77 VanDerWaalsContact CE1-CA 3.46Å; Y60-F79 AromaticContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CE1 4.2Å; Y60-F79 HydrophobicContact CE1-CD1 4.02Å; Y60-F79 AromaticContact CE1-CE1 3.97Å; Y60-F79 HydrophobicContact CE1-CE1 3.97Å; Y60-C122 WeakPolarHBondContact CE1-O 3.31Å; Y60-C122 PolarHBondContact OH-O 2.85Å; Y60-F124 HydrophobicContact CD1-CE1 4.12Å; Y60-F124 HydrophobicContact CE1-CD1 4.02Å; Y60-F124 AromaticContact CE1-CE1 3.91Å; Y60-F124 HydrophobicContact CE1-CE1 3.91Å; Y60-F124 AromaticContact CZ-CD1 3.99Å; Y60-I171 WeakPolarHBondContact O-CB 3.2Å
61K98.4Very high95.9Very high128 Ų12863.3 Ų63.356%0.55734%0.335SS*.THydrogen-bonded Turntrans-60.8123.1178-178.1170.9174.51680110.6G59 S63 Q173 C174G59-K61 PolarHBondContact O-N 2.94Å; K61-S63 VanDerWaalsContact C-N 3.25Å; K61-S63 PolarHBondContact O-N 2.79Å; K61-Q173 VanDerWaalsContact CE-OE1 3.23Å; K61-C174 PolarHBondContact N-SG 2.77Å
62G98.1Very high96.1Very high51 Ų5163.8 Ų63.853%0.52634%0.338SS..THydrogen-bonded Turntrans82.3-8.2-176.200000114.7Y60 I171Y60-G62 PolarHBondContact O-N 2.87Å; G62-I171 PolarHBondContact N-O 3.38Å
63S98.3Very high96.3Very high8 Ų856.7 Ų56.76%0.05631%0.311CS..  trans-73.6163.7174.477.10000111.5Y60 K61 I171Y60-S63 VanDerWaalsContact O-CB 3.3Å; Y60-S63 WeakPolarHBondContact O-CB 3.45Å; Y60-S63 PolarHBondContact O-N 3.17Å; Y60-S63 PolarHBondContact O-OG 2.98Å; K61-S63 VanDerWaalsContact C-N 3.25Å; K61-S63 PolarHBondContact O-N 2.79Å; S63-I171 PolarHBondContact O-N 3.11Å
64T98.4Very high96.8Very high39 Ų3950.4 Ų50.424%0.23928%0.284CS..BIsolated β-bridgetrans-117.5155-173.866.50000113.1H66 G76 V169 V170T64-H66 PolarHBondContact O-N 2.92Å; T64-G76 VanDerWaalsContact O-CA 3.3Å; T64-G76 WeakPolarHBondContact O-CA 3.18Å; T64-V169 CarbonylContact C-O 3.47Å; T64-V169 WeakPolarHBondContact CA-O 3.2Å; T64-V169 WeakPolarHBondContact CB-O 3.48Å; T64-V170 HydrophobicContact CG2-CG2 4.16Å
65F98.7Very high97.2Very high2 Ų244.3 Ų44.31%0.00925%0.25CS..  trans-7993.8158.2-65.6-92.3000108.2V17 M27 R67 V68 I74 Q75 F124 I154 P165 V169 I171V17-F65 HydrophobicContact CG2-CE2 4.36Å; M27-F65 HydrophobicContact CE-CE2 4.48Å; M27-F65 HydrophobicContact CE-CZ 3.91Å; F65-R67 VanDerWaalsContact C-N 3.35Å; F65-V68 HydrophobicContact CB-CG2 4.46Å; F65-I74 HydrophobicContact CD1-CB 4.11Å; F65-I74 HydrophobicContact CD1-CD1 4.23Å; F65-I74 HydrophobicContact CD1-CG1 4.18Å; F65-I74 HydrophobicContact CE1-CD1 3.91Å; F65-I74 HydrophobicContact CE1-CG1 4.1Å; F65-Q75 CarbonylContact C-O 3.45Å; F65-Q75 WeakPolarHBondContact CA-O 3.39Å; F65-F124 AromaticContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CZ 4.08Å; F65-F124 HydrophobicContact CZ-CE2 4.33Å; F65-F124 HydrophobicContact CZ-CZ 4.26Å; F65-I154 HydrophobicContact CB-CG2 4.5Å; F65-I154 HydrophobicContact CD2-CD1 4.39Å; F65-I154 HydrophobicContact CE2-CD1 4.06Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.29Å; F65-P165 WeakPolarHBondContact O-CG 3.5Å; F65-V169 HydrophobicContact CB-CB 4.12Å; F65-V169 HydrophobicContact CB-CG1 4.13Å; F65-V169 HydrophobicContact CD2-CB 4.33Å; F65-V169 HydrophobicContact CD2-CG1 3.57Å; F65-V169 HydrophobicContact CE2-CG1 4.38Å; F65-V169 HydrophobicContact CG-CG1 4.18Å; F65-V169 PolarHBondContact N-O 2.87Å; F65-I171 HydrophobicContact CD2-CG1 4.41Å; F65-I171 HydrophobicContact CE2-CD1 4.18Å; F65-I171 HydrophobicContact CE2-CG1 3.73Å; F65-I171 HydrophobicContact CZ-CD1 4.36Å; F65-I171 HydrophobicContact CZ-CG1 4.34Å
66H98.4Very high97.6Very high14 Ų1442 Ų427%0.06523%0.226CC..  trans-82.6-12.4-171.959.1-92.7000113.2T64 Q75 G84 Q123 K164T64-H66 PolarHBondContact O-N 2.92Å; H66-Q75 PolarHBondContact N-O 2.97Å; H66-Q75 VanDerWaalsContact N-O 3.11Å; H66-G84 WeakPolarHBondContact NE2-CA 3.41Å; H66-Q123 PolarHBondContact CE1-OE1 2.99Å; H66-Q123 PolarHBondContact NE2-OE1 2.81Å; H66-K164 WeakPolarHBondContact O-CA 3.47Å
67R98.6Very high97.9Very high88 Ų8837.6 Ų37.633%0.33220%0.2SC..EExtended strand (participates in β ladder)trans-143.2123.2179.6-173.7179.6176-120.63.2111.1F65 M73 Q75 N163F65-R67 VanDerWaalsContact C-N 3.35Å; R67-M73 HydrophobicContact CG-CE 4.05Å; R67-Q75 HydrophobicContact CB-CB 4.25Å; R67-Q75 PolarHBondContact N-O 3.5Å; R67-Q75 PolarHBondContact O-N 3.46Å; R67-N163 HydrophobicContact CG-CB 4.21Å
68V98.7Very high98.1Very high2 Ų234.4 Ų34.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-131122-177169.30000109.4F65 I74 I154 V157 T159 N163 P165F65-V68 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CG1-CG2 4.02Å; V68-I74 HydrophobicContact CG2-CB 4.36Å; V68-I74 HydrophobicContact CG2-CG2 4.05Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; V68-V157 HydrophobicContact CG1-CG2 4.3Å; V68-T159 HydrophobicContact CB-CG2 4.07Å; V68-T159 HydrophobicContact CG1-CG2 4.27Å; V68-N163 PolarHBondContact N-O 3.12Å; V68-N163 WeakPolarHBondContact O-CB 3.42Å; V68-P165 HydrophobicContact CB-CG 4.11Å; V68-P165 HydrophobicContact CG2-CG 3.59Å
69I98.5Very high98.2Very high36 Ų3634.7 Ų34.719%0.18518%0.179CC..EExtended strand (participates in β ladder)trans-124.8111.3177.5-57.5177.4000108F72 M73 N163I69-F72 HydrophobicContact CB-CB 4.09Å; I69-F72 HydrophobicContact CB-CD1 4.02Å; I69-F72 HydrophobicContact CD1-CD1 3.97Å; I69-F72 HydrophobicContact CD1-CE1 4.41Å; I69-F72 HydrophobicContact CG2-CB 3.81Å; I69-F72 HydrophobicContact CG2-CD1 4.05Å; I69-F72 HydrophobicContact CG2-CG 4.45Å; I69-F72 PolarHBondContact O-N 2.94Å; I69-F72 VanDerWaalsContact O-N 3.11Å; I69-M73 HydrophobicContact CB-CE 3.87Å; I69-M73 HydrophobicContact CD1-CE 3.69Å; I69-M73 HydrophobicContact CG1-CE 3.57Å; I69-M73 PolarHBondContact N-O 3.09Å; I69-M73 PolarHBondContact O-N 3.4Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.79Å
70K98Very high98.2Very high119 Ų11937.6 Ų37.652%0.51719%0.193SC..THydrogen-bonded Turntrans-56140.6178.3-176.7171.5174.6157.50111.1F72 E155 N156K70-F72 PolarHBondContact O-N 2.64Å; K70-F72 VanDerWaalsContact O-N 3.14Å; K70-E155 HydrophobicContact CB-CG 4.43Å; K70-E155 HydrophobicContact CG-CG 4.29Å; K70-N156 WeakPolarHBondContact CE-OD1 3.3Å; K70-N156 PolarHBondContact NZ-OD1 3.36Å
71D97.1Very high98Very high109 Ų10942 Ų4258%0.58322%0.217SC*.THydrogen-bonded Turntrans62.812-176.9-54.5-50.4000114.3S129 E155D71-S129 WeakPolarHBondContact O-CB 3.36Å; D71-E155 WeakPolarHBondContact CA-OE1 3.31Å; D71-E155 PolarHBondContact N-OE1 2.6Å
72F98.4Very high97.9Very high45 Ų4537.1 Ų37.120%0.19720%0.203CC..THydrogen-bonded Turntrans-129-76.1177.6179.1-146.1000112.3I69 K70 C128 C131 W133 L134I69-F72 HydrophobicContact CB-CB 4.09Å; I69-F72 HydrophobicContact CB-CD1 4.02Å; I69-F72 HydrophobicContact CD1-CD1 3.97Å; I69-F72 HydrophobicContact CD1-CE1 4.41Å; I69-F72 HydrophobicContact CG2-CB 3.81Å; I69-F72 HydrophobicContact CG2-CD1 4.05Å; I69-F72 HydrophobicContact CG2-CG 4.45Å; I69-F72 PolarHBondContact O-N 2.94Å; I69-F72 VanDerWaalsContact O-N 3.11Å; K70-F72 PolarHBondContact O-N 2.64Å; K70-F72 VanDerWaalsContact O-N 3.14Å; F72-C128 PolarHBondContact O-N 3.13Å; F72-C131 HydrophobicContact CE2-CB 4.38Å; F72-W133 AromaticContact CD2-CZ2 3.8Å; F72-W133 HydrophobicContact CD2-CZ2 3.8Å; F72-W133 AromaticContact CE2-CZ2 3.7Å; F72-W133 HydrophobicContact CE2-CZ2 3.7Å; F72-W133 AromaticContact CE2-NE1 3.86Å; F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å
73M98.6Very high97.6Very high3 Ų339.1 Ų39.12%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-162.8162.5-173.863.782.6-127.100113.6R67 I69 Q75 F125 I126R67-M73 HydrophobicContact CG-CE 4.05Å; I69-M73 HydrophobicContact CB-CE 3.87Å; I69-M73 HydrophobicContact CD1-CE 3.69Å; I69-M73 HydrophobicContact CG1-CE 3.57Å; I69-M73 PolarHBondContact N-O 3.09Å; I69-M73 PolarHBondContact O-N 3.4Å; M73-Q75 HydrophobicContact CE-CB 4.32Å; M73-Q75 HydrophobicContact SD-CB 3.6Å; M73-F125 HydrophobicContact CB-CB 4.33Å; M73-F125 HydrophobicContact CB-CD2 4.05Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.46Å; M73-F125 HydrophobicContact SD-CB 3.95Å; M73-I126 VanDerWaalsContact CA-O 3.24Å; M73-I126 WeakPolarHBondContact CA-O 3.4Å; M73-I126 WeakPolarHBondContact CB-O 3.17Å
74I98.8Very high97.5Very high0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-117125.7167.160.3176.2000108.7F65 V68 F125 I126 M151 I154 E155F65-I74 HydrophobicContact CD1-CB 4.11Å; F65-I74 HydrophobicContact CD1-CD1 4.23Å; F65-I74 HydrophobicContact CD1-CG1 4.18Å; F65-I74 HydrophobicContact CE1-CD1 3.91Å; F65-I74 HydrophobicContact CE1-CG1 4.1Å; V68-I74 HydrophobicContact CB-CG2 4.46Å; V68-I74 HydrophobicContact CG1-CG2 4.02Å; V68-I74 HydrophobicContact CG2-CB 4.36Å; V68-I74 HydrophobicContact CG2-CG2 4.05Å; I74-F125 CarbonylContact O-C 3.58Å; I74-F125 WeakPolarHBondContact O-CA 3.34Å; I74-I126 HydrophobicContact CD1-CB 4.29Å; I74-I126 HydrophobicContact CD1-CD1 4.36Å; I74-I126 HydrophobicContact CG1-CB 3.8Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 3.34Å; I74-I126 PolarHBondContact O-N 2.96Å; I74-M151 HydrophobicContact CD1-CB 4.39Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.4Å; I74-I154 HydrophobicContact CB-CG2 4.2Å; I74-I154 HydrophobicContact CD1-CB 4.1Å; I74-I154 HydrophobicContact CD1-CD1 3.92Å; I74-I154 HydrophobicContact CD1-CG2 4.01Å; I74-I154 HydrophobicContact CG2-CB 4.4Å; I74-I154 HydrophobicContact CG2-CG2 3.82Å; I74-E155 HydrophobicContact CG2-CB 4.35Å
75Q98.8Very high97.3Very high24 Ų2442.3 Ų42.311%0.11223%0.226CC..EExtended strand (participates in β ladder)trans-116.6136.2-175.4174.4178.8-3.600110.9F65 H66 R67 M73 F124 F125F65-Q75 CarbonylContact C-O 3.45Å; F65-Q75 WeakPolarHBondContact CA-O 3.39Å; H66-Q75 PolarHBondContact N-O 2.97Å; H66-Q75 VanDerWaalsContact N-O 3.11Å; R67-Q75 HydrophobicContact CB-CB 4.25Å; R67-Q75 PolarHBondContact N-O 3.5Å; R67-Q75 PolarHBondContact O-N 3.46Å; M73-Q75 HydrophobicContact CE-CB 4.32Å; M73-Q75 HydrophobicContact SD-CB 3.6Å; Q75-F124 WeakPolarHBondContact CA-O 3.29Å; Q75-F124 WeakPolarHBondContact CG-O 3.32Å; Q75-F125 HydrophobicContact CB-CB 4.06Å
76G98.6Very high97.2Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-154.3-161.6-178.300000112.2T64 Q123 F124T64-G76 VanDerWaalsContact O-CA 3.3Å; T64-G76 WeakPolarHBondContact O-CA 3.18Å; G76-Q123 WeakPolarHBondContact O-CA 3.41Å; G76-F124 PolarHBondContact N-O 2.85Å; G76-F124 PolarHBondContact O-N 3.27Å; G76-F124 VanDerWaalsContact O-N 3.08Å
77G97.8Very high97Very high0 Ų045.3 Ų45.30%025%0.245CC..  trans87.9-1.4174.100000115.7Y60 F79 C122Y60-G77 VanDerWaalsContact CE1-CA 3.46Å; G77-F79 VanDerWaalsContact C-N 3.3Å; G77-F79 VanDerWaalsContact O-CD1 3.29Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 2.94Å; G77-C122 PolarHBondContact O-SG 2.98Å; G77-C122 VanDerWaalsContact O-SG 3.35Å
78D98.1Very high96.9Very high2 Ų242 Ų421%0.01124%0.236CC..  trans-76.882.4169.5-174-1.1000110.3V80 N81 G82 D83 G84 T85 G86 Q123D78-V80 VanDerWaalsContact C-N 3.27Å; D78-V80 PolarHBondContact OD1-N 2.88Å; D78-N81 PolarHBondContact OD1-N 2.94Å; D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 2.89Å; D78-G82 PolarHBondContact OD1-N 2.83Å; D78-G82 PolarHBondContact OD2-N 2.9Å; D78-G82 VanDerWaalsContact OD2-N 3.16Å; D78-D83 PolarHBondContact OD2-N 3.3Å; D78-D83 VanDerWaalsContact OD2-N 3.12Å; D78-G84 WeakPolarHBondContact OD2-CA 3.21Å; D78-G84 PolarHBondContact OD2-N 3.33Å; D78-T85 PolarHBondContact OD2-N 3.28Å; D78-G86 WeakPolarHBondContact OD1-CA 3.42Å; D78-G86 PolarHBondContact OD2-N 2.9Å; D78-Q123 HydrophobicContact CB-CG 3.93Å
79F96.8Very high96.9Very high46 Ų4642 Ų4220%0.20224%0.236CC..  trans-84.30.8171.454.8-108.6000113.2F46 I58 G59 Y60 G77 A88 C122F46-F79 HydrophobicContact CB-CE1 4.3Å; F46-F79 AromaticContact CD1-CE1 3.83Å; F46-F79 HydrophobicContact CD1-CE1 3.83Å; F46-F79 AromaticContact CD1-CZ 3.72Å; F46-F79 HydrophobicContact CD1-CZ 3.72Å; F46-F79 AromaticContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CE1 3.99Å; F46-F79 HydrophobicContact CD2-CZ 4.24Å; F46-F79 HydrophobicContact CE1-CE1 4.09Å; F46-F79 HydrophobicContact CE1-CE2 4.48Å; F46-F79 AromaticContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE1-CZ 3.52Å; F46-F79 HydrophobicContact CE2-CE1 4.22Å; F46-F79 HydrophobicContact CE2-CZ 4.05Å; F46-F79 AromaticContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CE1 3.78Å; F46-F79 HydrophobicContact CG-CZ 4.09Å; F46-F79 HydrophobicContact CZ-CE1 4.28Å; F46-F79 AromaticContact CZ-CZ 3.69Å; F46-F79 HydrophobicContact CZ-CZ 3.69Å; I58-F79 HydrophobicContact CD1-CE2 3.96Å; I58-F79 HydrophobicContact CG1-CE2 4.44Å; G59-F79 VanDerWaalsContact O-CB 3.25Å; G59-F79 WeakPolarHBondContact O-CB 3.47Å; G59-F79 WeakPolarHBondContact O-CD1 3.25Å; G59-F79 WeakPolarHBondContact O-CG 3.45Å; Y60-F79 AromaticContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CD1 3.87Å; Y60-F79 HydrophobicContact CD1-CE1 4.2Å; Y60-F79 HydrophobicContact CE1-CD1 4.02Å; Y60-F79 AromaticContact CE1-CE1 3.97Å; Y60-F79 HydrophobicContact CE1-CE1 3.97Å; G77-F79 VanDerWaalsContact C-N 3.3Å; G77-F79 VanDerWaalsContact O-CD1 3.29Å; G77-F79 WeakPolarHBondContact O-CD1 3.46Å; G77-F79 PolarHBondContact O-N 2.94Å; F79-A88 HydrophobicContact CE2-CB 3.82Å; F79-A88 HydrophobicContact CZ-CB 3.92Å; F79-C122 HydrophobicContact CD1-CB 4.16Å; F79-C122 HydrophobicContact CE1-CB 3.33Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.46Å; F79-C122 VanDerWaalsContact CZ-CB 3.46Å
80V95.9Very high96.8Very high73 Ų7341.3 Ų41.344%0.44223%0.233SC..SBendtrans-91.2-52.7-177.7-176.90000109.8D78 A88D78-V80 VanDerWaalsContact C-N 3.27Å; D78-V80 PolarHBondContact OD1-N 2.88Å; V80-A88 HydrophobicContact CG2-CB 3.87Å
81N96.4Very high96.7Very high94 Ų9440.2 Ų40.250%0.50323%0.226SC..SBendtrans-119.3-23.4-177.7-65-17.7000112.9D78 D83 T85D78-N81 PolarHBondContact OD1-N 2.94Å; N81-D83 VanDerWaalsContact C-N 3.28Å; N81-D83 WeakPolarHBondContact CB-OD1 3.3Å; N81-D83 PolarHBondContact O-N 2.86Å; N81-T85 PolarHBondContact ND2-OG1 3.32Å
82G94.3Very high96.3Very high25 Ų2545.7 Ų45.726%0.25824%0.239SC..SBendtrans72.814.2178.500000115.2D78D78-G82 WeakPolarHBondContact O-CA 3.36Å; D78-G82 PolarHBondContact O-N 2.89Å; D78-G82 PolarHBondContact OD1-N 2.83Å; D78-G82 PolarHBondContact OD2-N 2.9Å; D78-G82 VanDerWaalsContact OD2-N 3.16Å
83D93.3Very high95.9Very high93 Ų9344.7 Ų44.750%0.49724%0.241SC..SBendtrans-128.9-1.1-174.668.41.9000114.3D78 N81 T85D78-D83 PolarHBondContact OD2-N 3.3Å; D78-D83 VanDerWaalsContact OD2-N 3.12Å; N81-D83 VanDerWaalsContact C-N 3.28Å; N81-D83 WeakPolarHBondContact CB-OD1 3.3Å; N81-D83 PolarHBondContact O-N 2.86Å; D83-T85 WeakPolarHBondContact OD1-CB 3.19Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.36Å; D83-T85 PolarHBondContact OD1-N 3.31Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å
84G95.1Very high95.7Very high24 Ų2448.5 Ų48.525%0.24727%0.266CS..SBendtrans97.21.6-179.300000113.8H66 D78 Q123H66-G84 WeakPolarHBondContact NE2-CA 3.41Å; D78-G84 WeakPolarHBondContact OD2-CA 3.21Å; D78-G84 PolarHBondContact OD2-N 3.33Å; G84-Q123 PolarHBondContact O-NE2 3.04Å
85T95.6Very high95.7Very high90 Ų9049.5 Ų49.555%0.55227%0.271SS*.  trans-96.6-14.7177.5660000113.5D78 N81 D83D78-T85 PolarHBondContact OD2-N 3.28Å; N81-T85 PolarHBondContact ND2-OG1 3.32Å; D83-T85 WeakPolarHBondContact OD1-CB 3.19Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.36Å; D83-T85 PolarHBondContact OD1-N 3.31Å; D83-T85 PolarHBondContact OD1-OG1 2.91Å
86G95.4Very high95.7Very high1 Ų151.2 Ų51.21%0.0129%0.289CS..  trans-71.4140.1-177.800000113.8D78 Q123D78-G86 WeakPolarHBondContact OD1-CA 3.42Å; D78-G86 PolarHBondContact OD2-N 2.9Å; G86-Q123 PolarHBondContact O-NE2 3.06Å
87V95.4Very high95.7Very high78 Ų7852.7 Ų52.747%0.47330%0.297SS..  trans-134124.1176.1-177.90000109.3P94V87-P94 HydrophobicContact CG1-CB 4.32Å
88A95.9Very high95.7Very high17 Ų1755.2 Ų55.214%0.1431%0.309CS..  trans-150.2148.1170.700000109.3F79 V80 G121 C122F79-A88 HydrophobicContact CE2-CB 3.82Å; F79-A88 HydrophobicContact CZ-CB 3.92Å; V80-A88 HydrophobicContact CG2-CB 3.87Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 VanDerWaalsContact O-CA 3.28Å; A88-G121 WeakPolarHBondContact O-CA 3.29Å; A88-C122 HydrophobicContact CB-CB 4.41Å; A88-C122 WeakPolarHBondContact O-CA 3.21Å; A88-C122 WeakPolarHBondContact O-CB 3.3Å; A88-C122 PolarHBondContact O-N 3.22Å
89S97.4Very high95.7Very high3 Ų356.7 Ų56.72%0.02132%0.317CS..  trans-142.1163.6166.477.80000108.8N42 Y91 R92 G93N42-S89 VanDerWaalsContact OD1-CA 3.29Å; N42-S89 WeakPolarHBondContact OD1-CA 3.2Å; N42-S89 VanDerWaalsContact OD1-CB 3.3Å; N42-S89 WeakPolarHBondContact OD1-CB 3.25Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.11Å; S89-Y91 WeakPolarHBondContact OG-CB 3.43Å; S89-Y91 PolarHBondContact OG-N 3.33Å; S89-Y91 VanDerWaalsContact OG-N 3.07Å; S89-R92 PolarHBondContact O-N 3.28Å; S89-R92 VanDerWaalsContact O-N 3.16Å; S89-G93 WeakPolarHBondContact CB-O 3.33Å; S89-G93 PolarHBondContact OG-O 3.32Å
90I97.4Very high95.7Very high21 Ų2158.4 Ų58.411%0.10832%0.324CS..THydrogen-bonded Turntrans-64.2-13.5172.568.6169.3000112.6E41 N42 Q45 F46 F51E41-I90 HydrophobicContact CG-CD1 3.9Å; N42-I90 HydrophobicContact CB-CD1 4.35Å; N42-I90 HydrophobicContact CB-CG1 4.12Å; N42-I90 PolarHBondContact OD1-N 2.9Å; Q45-I90 HydrophobicContact CB-CG2 3.8Å; Q45-I90 HydrophobicContact CG-CD1 4.37Å; Q45-I90 HydrophobicContact CG-CG2 4.45Å; F46-I90 HydrophobicContact CE1-CG2 4.02Å; F46-I90 HydrophobicContact CE2-CG2 4.42Å; F46-I90 HydrophobicContact CZ-CG2 3.97Å; F51-I90 HydrophobicContact CB-CG2 3.87Å; F51-I90 HydrophobicContact CD2-CB 3.75Å; F51-I90 HydrophobicContact CD2-CG2 3.75Å; F51-I90 HydrophobicContact CE2-CB 4.13Å; F51-I90 HydrophobicContact CE2-CG2 4.49Å; F51-I90 HydrophobicContact CG-CB 4.35Å; F51-I90 HydrophobicContact CG-CG2 3.84Å
91Y96.6Very high95.8Very high97 Ų9762.6 Ų62.638%0.3834%0.336SS..THydrogen-bonded Turntrans-93.412.3179.1-48.7-59.5000113.5K38 N42 S89 F95K38-Y91 VanDerWaalsContact CA-OH 3.26Å; K38-Y91 WeakPolarHBondContact CA-OH 3.17Å; K38-Y91 HydrophobicContact CB-CE2 4.32Å; K38-Y91 WeakPolarHBondContact CB-OH 3.41Å; K38-Y91 PolarHBondContact O-OH 2.81Å; N42-Y91 HydrophobicContact CB-CE2 4.05Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.11Å; S89-Y91 WeakPolarHBondContact OG-CB 3.43Å; S89-Y91 PolarHBondContact OG-N 3.33Å; S89-Y91 VanDerWaalsContact OG-N 3.07Å; Y91-F95 HydrophobicContact CD2-CB 4Å; Y91-F95 HydrophobicContact CD2-CD1 4.11Å; Y91-F95 HydrophobicContact CD2-CD2 4.38Å; Y91-F95 AromaticContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CE2-CD2 4.4Å; Y91-F95 HydrophobicContact CE2-CG 4.37Å
92R87.8Confident95.9Very high223 Ų22360.7 Ų60.784%0.84233%0.326SS*.SBendtrans63.453.6174.8-53.5179.1-179.1-89.2-2.3113.9S89S89-R92 PolarHBondContact O-N 3.28Å; S89-R92 VanDerWaalsContact O-N 3.16Å
93G90.3Very high96.1Very high25 Ų2567.8 Ų67.826%0.25835%0.345SS..SBendtrans145.9-171.817600000111.7S89S89-G93 WeakPolarHBondContact CB-O 3.33Å; S89-G93 PolarHBondContact OG-O 3.32Å
94P95.2Very high96.3Very high83 Ų8363.3 Ų63.354%0.53932%0.321SS..  trans-62.2150.2165.725.8-31.5000111.3V87 N120V87-P94 HydrophobicContact CG1-CB 4.32Å; P94-N120 CarbonylContact C-O 3.5Å; P94-N120 WeakPolarHBondContact CA-O 3.49Å
95F98.1Very high96.5Very high21 Ų2165.7 Ų65.79%0.09233%0.334CS..BIsolated β-bridgetrans-127.8158.917771.1-82.9000112.9T39 N42 Y91 M112 S118 N120T39-F95 HydrophobicContact CG2-CE2 4.44Å; T39-F95 HydrophobicContact CG2-CZ 4.3Å; N42-F95 HydrophobicContact CB-CE1 4.45Å; N42-F95 HydrophobicContact CB-CZ 4.37Å; Y91-F95 HydrophobicContact CD2-CB 4Å; Y91-F95 HydrophobicContact CD2-CD1 4.11Å; Y91-F95 HydrophobicContact CD2-CD2 4.38Å; Y91-F95 AromaticContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CD2-CG 3.92Å; Y91-F95 HydrophobicContact CE2-CD2 4.4Å; Y91-F95 HydrophobicContact CE2-CG 4.37Å; F95-M112 HydrophobicContact CE1-CE 4.19Å; F95-M112 HydrophobicContact CZ-CE 4.11Å; F95-S118 CarbonylContact O-C 3.53Å; F95-N120 HydrophobicContact CD1-CB 3.77Å; F95-N120 WeakPolarHBondContact CD1-O 3.38Å; F95-N120 HydrophobicContact CD2-CB 4.03Å; F95-N120 HydrophobicContact CE1-CB 3.46Å; F95-N120 VanDerWaalsContact CE1-CB 3.46Å; F95-N120 HydrophobicContact CE2-CB 3.74Å; F95-N120 HydrophobicContact CG-CB 4.05Å; F95-N120 HydrophobicContact CZ-CB 3.45Å; F95-N120 VanDerWaalsContact CZ-CB 3.45Å; F95-N120 PolarHBondContact N-O 2.87Å; F95-N120 WeakPolarHBondContact O-CB 3.39Å; F95-N120 PolarHBondContact O-N 3.45Å; F95-N120 PolarHBondContact O-ND2 2.83Å
96A98.1Very high96.6Very high60 Ų6063.1 Ų63.150%0.49632%0.322SS..  trans-66.6156.4-173.800000113.5E98 N120A96-E98 PolarHBondContact O-N 3.49Å; A96-N120 PolarHBondContact O-ND2 2.88Å
97D98.4Very high96.7Very high30 Ų3065.8 Ų65.816%0.1634%0.339CS..  trans-67.4117.9169.5-58.3-55.2000109.3F100 S118 N120 V139D97-F100 HydrophobicContact CB-CE1 4.1Å; D97-F100 HydrophobicContact CB-CE2 4.07Å; D97-F100 HydrophobicContact CB-CZ 3.5Å; D97-S118 PolarHBondContact N-OG 3.07Å; D97-S118 PolarHBondContact OD2-N 3.36Å; D97-N120 WeakPolarHBondContact CA-ND2 3.36Å; D97-N120 PolarHBondContact N-ND2 3.16Å; D97-N120 PolarHBondContact OD1-ND2 3.24Å; D97-V139 HydrophobicContact CB-CG2 3.91Å
98E97.9Very high96.8Very high53 Ų5362.2 Ų62.225%0.24832%0.318CS..  trans-71.1-47.3-173.1-174.2165-162.200112.5V36 P37 K38 T39 A96V36-E98 VanDerWaalsContact CA-CD 3.47Å; V36-E98 VanDerWaalsContact CA-OE2 3.28Å; V36-E98 WeakPolarHBondContact CA-OE2 2.88Å; V36-E98 HydrophobicContact CB-CG 4.43Å; V36-E98 WeakPolarHBondContact CB-OE2 3.31Å; V36-E98 HydrophobicContact CG1-CB 4.27Å; V36-E98 HydrophobicContact CG1-CG 4.25Å; P37-E98 WeakPolarHBondContact CD-OE1 3.34Å; P37-E98 WeakPolarHBondContact CG-OE1 3.27Å; K38-E98 WeakPolarHBondContact CB-OE2 3.44Å; K38-E98 PolarHBondContact N-OE1 3.3Å; K38-E98 PolarHBondContact N-OE2 2.87Å; K38-E98 VanDerWaalsContact N-OE2 3.14Å; T39-E98 PolarHBondContact N-OE2 3.49Å; T39-E98 PolarHBondContact OG1-OE2 3.18Å; A96-E98 PolarHBondContact O-N 3.49Å
99N98.1Very high96.9Very high34 Ų3462.3 Ų62.318%0.18232%0.316CS..  trans-170.3171.9164.76382.9000110.7V35 V36 K101V35-N99 PolarHBondContact O-ND2 3.1Å; V36-N99 WeakPolarHBondContact CG1-ND2 3.39Å; N99-K101 HydrophobicContact CB-CG 4.38Å; N99-K101 WeakPolarHBondContact OD1-CB 3.29Å; N99-K101 WeakPolarHBondContact OD1-CG 2.97Å; N99-K101 PolarHBondContact OD1-N 2.89Å; N99-K101 VanDerWaalsContact OD1-N 3.13Å
100F98Very high97Very high81 Ų8162.2 Ų62.236%0.35532%0.315SS..  trans-120.235.9176.6-54.8-70.7000112.6D97 L102 G136 V139D97-F100 HydrophobicContact CB-CE1 4.1Å; D97-F100 HydrophobicContact CB-CE2 4.07Å; D97-F100 HydrophobicContact CB-CZ 3.5Å; F100-L102 VanDerWaalsContact C-N 3.33Å; F100-G136 WeakPolarHBondContact CZ-O 3.44Å; F100-V139 HydrophobicContact CD1-CG2 4.31Å; F100-V139 HydrophobicContact CE1-CG2 3.94Å
101K97.9Very high97.1Very high162 Ų16261.2 Ų61.270%0.70431%0.31SS*.  trans-67.2-35.4-178.7-69.8175.2179.91750112.5V35 N99V35-K101 HydrophobicContact CG1-CB 4.41Å; V35-K101 HydrophobicContact CG1-CD 4.29Å; N99-K101 HydrophobicContact CB-CG 4.38Å; N99-K101 WeakPolarHBondContact OD1-CB 3.29Å; N99-K101 WeakPolarHBondContact OD1-CG 2.97Å; N99-K101 PolarHBondContact OD1-N 2.89Å; N99-K101 VanDerWaalsContact OD1-N 3.13Å
102L97.9Very high97.2Very high54 Ų5456.6 Ų56.628%0.28329%0.292SS..SBendtrans-89.1142.4-179.9-63.3175.8000110.3F32 V35 F100 V140F32-L102 HydrophobicContact CB-CD1 4.18Å; F32-L102 HydrophobicContact CD2-CD1 3.25Å; F32-L102 HydrophobicContact CE2-CD1 3.82Å; F32-L102 HydrophobicContact CG-CD1 3.98Å; V35-L102 HydrophobicContact CB-CD1 4.33Å; V35-L102 HydrophobicContact CG1-CD1 4.15Å; V35-L102 HydrophobicContact CG1-CG 4.15Å; F100-L102 VanDerWaalsContact C-N 3.33Å; L102-V140 HydrophobicContact CB-CB 3.77Å; L102-V140 HydrophobicContact CB-CG1 3.99Å; L102-V140 HydrophobicContact CD1-CG1 4.34Å
103R98.3Very high97.7Very high173 Ų17346.6 Ų46.665%0.65326%0.257SS*.  trans-111.7154.2-174.5-67.3-173.1138.5177-2.2111.8S105 L109 D135R103-S105 PolarHBondContact O-N 2.98Å; R103-L109 VanDerWaalsContact O-CD1 3.25Å; R103-L109 WeakPolarHBondContact O-CD1 3.44Å; R103-D135 WeakPolarHBondContact CA-OD1 3.39Å; R103-D135 WeakPolarHBondContact CB-OD2 3.16Å; R103-D135 WeakPolarHBondContact CD-OD2 3.42Å; R103-D135 VanDerWaalsContact CG-OD2 3.28Å; R103-D135 WeakPolarHBondContact CG-OD2 3.23Å; R103-D135 IonicContact NE-OD2 3.63Å; R103-D135 PolarHBondContact NE-OD2 3.43Å
104H98.5Very high97.9Very high0 Ų046.9 Ų46.90%025%0.252CS..  trans-79.751.1176.5-57.982.2000112A106 S111 F125 C131 L134 D135 H138 V140H104-A106 PolarHBondContact O-N 2.86Å; H104-S111 WeakPolarHBondContact NE2-CB 3.37Å; H104-S111 PolarHBondContact NE2-OG 2.95Å; H104-F125 AromaticContact NE2-CZ 3.71Å; H104-C131 HydrophobicContact CB-CB 3.97Å; H104-C131 WeakPolarHBondContact CB-O 3.21Å; H104-C131 PolarHBondContact O-N 2.98Å; H104-L134 PolarHBondContact CE1-O 3.19Å; H104-D135 IonicContact CE1-OD1 2.82Å; H104-D135 IonicContact CG-OD1 2.72Å; H104-D135 PolarHBondContact N-OD1 3.13Å; H104-D135 IonicContact ND1-OD1 3.68Å; H104-D135 PolarHBondContact ND1-OD1 3.03Å; H104-H138 PolarHBondContact CE1-O 3.4Å; H104-H138 VanDerWaalsContact CE1-O 3.32Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.33Å
105S97.8Very high97.9Very high74 Ų7448.5 Ų48.552%0.51727%0.266SS..  trans-78.9-12.7-166.6590000115.1R103 K130R103-S105 PolarHBondContact O-N 2.98Å; S105-K130 WeakPolarHBondContact O-CG 3.39Å
106A97.3Very high97.6Very high36 Ų3648.8 Ų48.830%0.29827%0.274SS..SBendtrans-151.2161.6-171.500000112.1H104 L109 T127H104-A106 PolarHBondContact O-N 2.86Å; A106-L109 HydrophobicContact CB-CD1 4.5Å; A106-L109 WeakPolarHBondContact O-CD1 3.39Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; A106-T127 PolarHBondContact O-OG1 2.87Å
107P98.1Very high97.5Very high56 Ų5651.5 Ų51.536%0.36429%0.287SS..THydrogen-bonded Turntrans-67.3154.1165.730.3-36.6000112C128P107-C128 WeakPolarHBondContact CB-O 3.27Å
108G98.3Very high97.4Very high3 Ų352.9 Ų52.93%0.03130%0.299CS..THydrogen-bonded Turntrans84.48.7178.700000114.4T127 K143 I144G108-T127 PolarHBondContact N-O 2.85Å; G108-T127 PolarHBondContact N-OG1 3.24Å; G108-K143 CarbonylContact O-C 3.59Å; G108-K143 VanDerWaalsContact O-CA 3.3Å; G108-K143 WeakPolarHBondContact O-CA 3.47Å; G108-I144 PolarHBondContact O-N 3.33Å
109L98.7Very high97.3Very high20 Ų2052.6 Ų52.611%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-82.7133.6175.8-62.9175.3000110.3R103 A106 I126 T127 V140 K143R103-L109 VanDerWaalsContact O-CD1 3.25Å; R103-L109 WeakPolarHBondContact O-CD1 3.44Å; A106-L109 HydrophobicContact CB-CD1 4.5Å; A106-L109 WeakPolarHBondContact O-CD1 3.39Å; A106-L109 WeakPolarHBondContact O-CG 3.41Å; L109-I126 CarbonylContact O-C 3.57Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.28Å; L109-T127 HydrophobicContact CB-CG2 4.31Å; L109-T127 WeakPolarHBondContact CB-OG1 3.32Å; L109-T127 PolarHBondContact N-OG1 2.88Å; L109-T127 PolarHBondContact O-N 2.84Å; L109-V140 HydrophobicContact CB-CG1 4.37Å; L109-K143 HydrophobicContact CD2-CB 4.04Å
110L98.8Very high97.3Very high1 Ų151 Ų511%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-93.4128.4176.7179.766.9000109.4I29 L31 F43 F124 I126 F141 G142I29-L110 HydrophobicContact CG2-CB 4.39Å; I29-L110 HydrophobicContact CG2-CD2 3.65Å; L31-L110 HydrophobicContact CD2-CD2 3.93Å; F43-L110 HydrophobicContact CD1-CD2 4.2Å; F43-L110 HydrophobicContact CD2-CD2 4.35Å; F43-L110 HydrophobicContact CE1-CD2 3.76Å; F43-L110 HydrophobicContact CE2-CD1 4.09Å; F43-L110 HydrophobicContact CE2-CD2 3.92Å; F43-L110 HydrophobicContact CG-CD2 4.45Å; F43-L110 HydrophobicContact CZ-CD1 4.1Å; F43-L110 HydrophobicContact CZ-CD2 3.59Å; F43-L110 HydrophobicContact CZ-CG 4.48Å; L110-F124 HydrophobicContact CD1-CB 3.95Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.11Å; L110-F124 HydrophobicContact CD1-CG 3.91Å; L110-I126 HydrophobicContact CD1-CG1 3.8Å; L110-F141 HydrophobicContact CD1-CE1 4.46Å; L110-F141 HydrophobicContact CD1-CZ 3.96Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.37Å; L110-F141 HydrophobicContact CD2-CE2 3.22Å; L110-F141 HydrophobicContact CD2-CZ 3.5Å; L110-F141 VanDerWaalsContact CD2-CZ 3.5Å; L110-F141 HydrophobicContact CG-CD1 4.43Å; L110-F141 HydrophobicContact CG-CD2 4.26Å; L110-F141 HydrophobicContact CG-CE1 3.83Å; L110-F141 HydrophobicContact CG-CE2 3.61Å; L110-F141 HydrophobicContact CG-CZ 3.38Å; L110-F141 PolarHBondContact O-N 3.48Å; L110-G142 PolarHBondContact N-O 3.17Å; L110-G142 PolarHBondContact O-N 2.8Å
111S98.8Very high97.3Very high0 Ų047.3 Ų47.30%028%0.277CS..EExtended strand (participates in β ladder)trans-144.9151.4-173.7-172.70000112.3H104 F124 F125 H138 V139 F141H104-S111 WeakPolarHBondContact NE2-CB 3.37Å; H104-S111 PolarHBondContact NE2-OG 2.95Å; S111-F124 CarbonylContact O-C 3.49Å; S111-F124 WeakPolarHBondContact O-CA 3.25Å; S111-F125 PolarHBondContact N-O 3.39Å; S111-F125 PolarHBondContact O-N 2.96Å; S111-F125 VanDerWaalsContact OG-CZ 3.32Å; S111-F125 WeakPolarHBondContact OG-CZ 3.34Å; S111-H138 WeakPolarHBondContact OG-CB 3.37Å; S111-V139 VanDerWaalsContact CA-O 3.29Å; S111-V139 WeakPolarHBondContact CA-O 3.47Å; S111-V139 PolarHBondContact OG-O 2.69Å; S111-V139 VanDerWaalsContact OG-O 3.13Å; S111-F141 VanDerWaalsContact C-CE1 3.43Å
112M98.6Very high97.3Very high0 Ų039.7 Ų39.70%024%0.244CC..EExtended strand (participates in β ladder)trans-73.9128.8-175.8-74.2-54.5-61.400111.3T39 F95 N120 G121 Q123 F125 H138 V139 F141T39-M112 HydrophobicContact CG2-CG 3.5Å; T39-M112 VanDerWaalsContact CG2-CG 3.5Å; T39-M112 HydrophobicContact CG2-SD 3.8Å; F95-M112 HydrophobicContact CE1-CE 4.19Å; F95-M112 HydrophobicContact CZ-CE 4.11Å; M112-N120 VanDerWaalsContact CB-OD1 3.24Å; M112-N120 WeakPolarHBondContact CB-OD1 3.22Å; M112-N120 HydrophobicContact CE-CB 3.88Å; M112-N120 HydrophobicContact CG-CB 4.44Å; M112-G121 WeakPolarHBondContact CE-O 3.36Å; M112-Q123 WeakPolarHBondContact CE-O 3.35Å; M112-F125 WeakPolarHBondContact O-CE1 3.39Å; M112-H138 PolarHBondContact O-ND1 3.29Å; M112-V139 HydrophobicContact CG-CB 4.35Å; M112-V139 PolarHBondContact N-O 2.86Å; M112-F141 HydrophobicContact CB-CE1 4.44Å; M112-F141 HydrophobicContact CG-CD1 3.78Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.97Å; M112-F141 HydrophobicContact SD-CE1 3.38Å; M112-F141 WeakPolarHBondContact SD-CE1 3.43Å; M112-F141 HydrophobicContact SD-CZ 3.86Å
113A97.9Very high97.3Very high12 Ų1237.9 Ų37.910%0.09924%0.235CC..  trans-80.4133.616500000108.7Q123 F125A113-Q123 HydrophobicContact CB-CB 3.74Å; A113-Q123 PolarHBondContact N-O 2.84Å; A113-Q123 VanDerWaalsContact N-O 3.07Å; A113-F125 HydrophobicContact CB-CD1 4.28Å
114N95.9Very high97.4Very high31 Ų3129.7 Ų29.717%0.16620%0.203CC..  trans-143.3167.7178.866.134.4000110.4K137 H138N114-K137 PolarHBondContact ND2-O 2.75Å; N114-H138 PolarHBondContact OD1-CE1 3.02Å
115S93.6Very high97.4Very high118 Ų11830.1 Ų30.183%0.82521%0.206SC*.SBendtrans-114.631.1-179.1-60.60000111T119S115-T119 PolarHBondContact N-OG1 3.19Å
116G93.8Very high97.4Very high26 Ų2626.6 Ų26.627%0.26818%0.181SC..SBendtrans131.5174.8-173.100000112.2S118 T119G116-S118 PolarHBondContact O-N 2.89Å; G116-T119 PolarHBondContact O-N 3.08Å; G116-T119 PolarHBondContact O-OG1 3.35Å
117P95.6Very high97.5Very high117 Ų11724.9 Ų24.976%0.7617%0.167SC*.THydrogen-bonded Turntrans-55.1133.9179.3-24.734.4000111.7T119P117-T119 VanDerWaalsContact C-N 3.31Å; P117-T119 PolarHBondContact O-N 2.98Å
118S94.9Very high97.5Very high59 Ų5922.3 Ų22.341%0.41315%0.15SC..THydrogen-bonded Turntrans60.733.2172.9-63.10000115.3F95 D97 G116F95-S118 CarbonylContact O-C 3.53Å; D97-S118 PolarHBondContact N-OG 3.07Å; D97-S118 PolarHBondContact OD2-N 3.36Å; G116-S118 PolarHBondContact O-N 2.89Å
119T96.8Very high97.5Very high48 Ų4824.6 Ų24.629%0.29417%0.165SC..  trans-115.237.3174.676.70000112.6S115 G116 P117S115-T119 PolarHBondContact N-OG1 3.19Å; G116-T119 PolarHBondContact O-N 3.08Å; G116-T119 PolarHBondContact O-OG1 3.35Å; P117-T119 VanDerWaalsContact C-N 3.31Å; P117-T119 PolarHBondContact O-N 2.98Å
120N98.2Very high97.5Very high0 Ų028.9 Ų28.90%018%0.183CC..BIsolated β-bridgetrans-68.4140179-61.8-59.2000110.1P94 F95 A96 D97 M112P94-N120 CarbonylContact C-O 3.5Å; P94-N120 WeakPolarHBondContact CA-O 3.49Å; F95-N120 HydrophobicContact CD1-CB 3.77Å; F95-N120 WeakPolarHBondContact CD1-O 3.38Å; F95-N120 HydrophobicContact CD2-CB 4.03Å; F95-N120 HydrophobicContact CE1-CB 3.46Å; F95-N120 VanDerWaalsContact CE1-CB 3.46Å; F95-N120 HydrophobicContact CE2-CB 3.74Å; F95-N120 HydrophobicContact CG-CB 4.05Å; F95-N120 HydrophobicContact CZ-CB 3.45Å; F95-N120 VanDerWaalsContact CZ-CB 3.45Å; F95-N120 PolarHBondContact N-O 2.87Å; F95-N120 WeakPolarHBondContact O-CB 3.39Å; F95-N120 PolarHBondContact O-N 3.45Å; F95-N120 PolarHBondContact O-ND2 2.83Å; A96-N120 PolarHBondContact O-ND2 2.88Å; D97-N120 WeakPolarHBondContact CA-ND2 3.36Å; D97-N120 PolarHBondContact N-ND2 3.16Å; D97-N120 PolarHBondContact OD1-ND2 3.24Å; M112-N120 VanDerWaalsContact CB-OD1 3.24Å; M112-N120 WeakPolarHBondContact CB-OD1 3.22Å; M112-N120 HydrophobicContact CE-CB 3.88Å; M112-N120 HydrophobicContact CG-CB 4.44Å
121G97.9Very high97.4Very high4 Ų428.8 Ų28.84%0.04118%0.183CC..  trans-137.6-127.6-17800000112N42 A88 M112N42-G121 PolarHBondContact ND2-O 2.99Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 VanDerWaalsContact O-CA 3.28Å; A88-G121 WeakPolarHBondContact O-CA 3.29Å; M112-G121 WeakPolarHBondContact CE-O 3.36Å
122C97.9Very high97.3Very high1 Ų132.1 Ų32.11%0.00720%0.2CC..SBendtrans-99.9-18.7179.754.40000112.1F46 Y60 G77 F79 A88F46-C122 HydrophobicContact CD2-CB 4.29Å; F46-C122 HydrophobicContact CE2-CB 3.92Å; F46-C122 HydrophobicContact CZ-CB 4.5Å; Y60-C122 WeakPolarHBondContact CE1-O 3.31Å; Y60-C122 PolarHBondContact OH-O 2.85Å; G77-C122 PolarHBondContact O-SG 2.98Å; G77-C122 VanDerWaalsContact O-SG 3.35Å; F79-C122 HydrophobicContact CD1-CB 4.16Å; F79-C122 HydrophobicContact CE1-CB 3.33Å; F79-C122 HydrophobicContact CE2-CB 4.39Å; F79-C122 HydrophobicContact CZ-CB 3.46Å; F79-C122 VanDerWaalsContact CZ-CB 3.46Å; A88-C122 HydrophobicContact CB-CB 4.41Å; A88-C122 WeakPolarHBondContact O-CA 3.21Å; A88-C122 WeakPolarHBondContact O-CB 3.3Å; A88-C122 PolarHBondContact O-N 3.22Å
123Q98.8Very high97.2Very high17 Ų1739.2 Ų39.28%0.07923%0.227CC..  trans-76.1142-177.6-64.2-172.652.800111.8H66 G76 D78 G84 G86 M112 A113H66-Q123 PolarHBondContact CE1-OE1 2.99Å; H66-Q123 PolarHBondContact NE2-OE1 2.81Å; G76-Q123 WeakPolarHBondContact O-CA 3.41Å; D78-Q123 HydrophobicContact CB-CG 3.93Å; G84-Q123 PolarHBondContact O-NE2 3.04Å; G86-Q123 PolarHBondContact O-NE2 3.06Å; M112-Q123 WeakPolarHBondContact CE-O 3.35Å; A113-Q123 HydrophobicContact CB-CB 3.74Å; A113-Q123 PolarHBondContact N-O 2.84Å; A113-Q123 VanDerWaalsContact N-O 3.07Å
124F98.9Very high97.2Very high0 Ų039.4 Ų39.40%023%0.226CC..EExtended strand (participates in β ladder)trans-139.6163.317967.1-90000109.9F15 F43 Y60 F65 Q75 G76 L110 S111 I126 F141 I171F15-F124 HydrophobicContact CD2-CZ 4.45Å; F15-F124 HydrophobicContact CE2-CE1 4.18Å; F15-F124 AromaticContact CE2-CE2 3.94Å; F15-F124 HydrophobicContact CE2-CE2 3.94Å; F15-F124 AromaticContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CE2-CZ 3.45Å; F15-F124 VanDerWaalsContact CE2-CZ 3.45Å; F15-F124 HydrophobicContact CZ-CE1 4.15Å; F15-F124 AromaticContact CZ-CZ 3.89Å; F15-F124 HydrophobicContact CZ-CZ 3.89Å; F43-F124 HydrophobicContact CD2-CD1 4.4Å; F43-F124 HydrophobicContact CE2-CB 4.03Å; F43-F124 AromaticContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD1 3.51Å; F43-F124 HydrophobicContact CE2-CD2 4.2Å; F43-F124 AromaticContact CE2-CE1 3.92Å; F43-F124 HydrophobicContact CE2-CE1 3.92Å; F43-F124 AromaticContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CG 3.65Å; F43-F124 HydrophobicContact CE2-CZ 4.44Å; F43-F124 HydrophobicContact CZ-CD1 4.32Å; F43-F124 HydrophobicContact CZ-CE1 4.33Å; F43-F124 HydrophobicContact CZ-CG 4.43Å; F43-F124 HydrophobicContact CZ-CZ 4.49Å; Y60-F124 HydrophobicContact CD1-CE1 4.12Å; Y60-F124 HydrophobicContact CE1-CD1 4.02Å; Y60-F124 AromaticContact CE1-CE1 3.91Å; Y60-F124 HydrophobicContact CE1-CE1 3.91Å; Y60-F124 AromaticContact CZ-CD1 3.99Å; F65-F124 AromaticContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CE2 3.86Å; F65-F124 HydrophobicContact CE1-CZ 4.08Å; F65-F124 HydrophobicContact CZ-CE2 4.33Å; F65-F124 HydrophobicContact CZ-CZ 4.26Å; Q75-F124 WeakPolarHBondContact CA-O 3.29Å; Q75-F124 WeakPolarHBondContact CG-O 3.32Å; G76-F124 PolarHBondContact N-O 2.85Å; G76-F124 PolarHBondContact O-N 3.27Å; G76-F124 VanDerWaalsContact O-N 3.08Å; L110-F124 HydrophobicContact CD1-CB 3.95Å; L110-F124 HydrophobicContact CD1-CD2 3.36Å; L110-F124 HydrophobicContact CD1-CE2 4.11Å; L110-F124 HydrophobicContact CD1-CG 3.91Å; S111-F124 CarbonylContact O-C 3.49Å; S111-F124 WeakPolarHBondContact O-CA 3.25Å; F124-I126 HydrophobicContact CD2-CG1 4.26Å; F124-I126 HydrophobicContact CE2-CD1 4.23Å; F124-I126 HydrophobicContact CE2-CG1 4.2Å; F124-F141 HydrophobicContact CB-CZ 4.27Å; F124-I171 HydrophobicContact CE1-CD1 4.49Å; F124-I171 HydrophobicContact CZ-CD1 4.12Å
125F98.9Very high97.3Very high10 Ų1039.7 Ų39.74%0.04423%0.228CC..EExtended strand (participates in β ladder)trans-132.1154.1165.165.3-89.7000111.4M73 I74 Q75 H104 S111 M112 A113 T127 L134 H138M73-F125 HydrophobicContact CB-CB 4.33Å; M73-F125 HydrophobicContact CB-CD2 4.05Å; M73-F125 HydrophobicContact CG-CB 4.43Å; M73-F125 HydrophobicContact CG-CD2 4.46Å; M73-F125 HydrophobicContact SD-CB 3.95Å; I74-F125 CarbonylContact O-C 3.58Å; I74-F125 WeakPolarHBondContact O-CA 3.34Å; Q75-F125 HydrophobicContact CB-CB 4.06Å; H104-F125 AromaticContact NE2-CZ 3.71Å; S111-F125 PolarHBondContact N-O 3.39Å; S111-F125 PolarHBondContact O-N 2.96Å; S111-F125 VanDerWaalsContact OG-CZ 3.32Å; S111-F125 WeakPolarHBondContact OG-CZ 3.34Å; M112-F125 WeakPolarHBondContact O-CE1 3.39Å; A113-F125 HydrophobicContact CB-CD1 4.28Å; F125-T127 HydrophobicContact CD2-CG2 4.29Å; F125-T127 HydrophobicContact CE2-CG2 3.95Å; F125-L134 HydrophobicContact CE2-CD1 3.69Å; F125-L134 HydrophobicContact CZ-CD1 3.64Å; F125-H138 HydrophobicContact CE1-CB 3.98Å; F125-H138 AromaticContact CE1-CG 3.83Å; F125-H138 AromaticContact CE1-ND1 3.84Å; F125-H138 HydrophobicContact CZ-CB 3.92Å
126I98.9Very high97.5Very high0 Ų036.2 Ų36.20%021%0.211CC..EExtended strand (participates in β ladder)trans-112.6125.4171.6-56.6173.3000107.9M27 M73 I74 L109 L110 F124 I144 M151M27-I126 HydrophobicContact CE-CD1 4.27Å; M27-I126 HydrophobicContact SD-CD1 4.43Å; M73-I126 VanDerWaalsContact CA-O 3.24Å; M73-I126 WeakPolarHBondContact CA-O 3.4Å; M73-I126 WeakPolarHBondContact CB-O 3.17Å; I74-I126 HydrophobicContact CD1-CB 4.29Å; I74-I126 HydrophobicContact CD1-CD1 4.36Å; I74-I126 HydrophobicContact CG1-CB 3.8Å; I74-I126 HydrophobicContact CG1-CG1 4.49Å; I74-I126 PolarHBondContact N-O 3.34Å; I74-I126 PolarHBondContact O-N 2.96Å; L109-I126 CarbonylContact O-C 3.57Å; L109-I126 VanDerWaalsContact O-CA 3.31Å; L109-I126 WeakPolarHBondContact O-CA 3.28Å; L110-I126 HydrophobicContact CD1-CG1 3.8Å; F124-I126 HydrophobicContact CD2-CG1 4.26Å; F124-I126 HydrophobicContact CE2-CD1 4.23Å; F124-I126 HydrophobicContact CE2-CG1 4.2Å; I126-I144 HydrophobicContact CD1-CD1 4.24Å; I126-I144 HydrophobicContact CG2-CD1 3.78Å; I126-I144 HydrophobicContact CG2-CG1 4.31Å; I126-M151 HydrophobicContact CG2-CG 4.07Å; I126-M151 HydrophobicContact CG2-SD 3.71Å
127T98.8Very high97.7Very high0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-67.6137.1179.461.20000111.1A106 G108 L109 F125 S129 M151A106-T127 PolarHBondContact O-OG1 2.87Å; G108-T127 PolarHBondContact N-O 2.85Å; G108-T127 PolarHBondContact N-OG1 3.24Å; L109-T127 HydrophobicContact CB-CG2 4.31Å; L109-T127 WeakPolarHBondContact CB-OG1 3.32Å; L109-T127 PolarHBondContact N-OG1 2.88Å; L109-T127 PolarHBondContact O-N 2.84Å; F125-T127 HydrophobicContact CD2-CG2 4.29Å; F125-T127 HydrophobicContact CE2-CG2 3.95Å; T127-S129 WeakPolarHBondContact CB-O 3.3Å; T127-M151 VanDerWaalsContact O-SD 3.41Å
128C98.4Very high97.8Very high1 Ų136.7 Ų36.71%0.00719%0.194CC..SBendtrans-104.4-10.5172.2-63.10000112.5F72 P107 M151 R152 E155F72-C128 PolarHBondContact O-N 3.13Å; P107-C128 WeakPolarHBondContact CB-O 3.27Å; C128-M151 HydrophobicContact CB-CE 4.44Å; C128-R152 VanDerWaalsContact O-CZ 3.29Å; C128-R152 PolarHBondContact O-NH1 3.37Å; C128-R152 PolarHBondContact O-NH2 2.89Å; C128-E155 VanDerWaalsContact CB-CD 3.46Å; C128-E155 HydrophobicContact CB-CG 4.12Å; C128-E155 WeakPolarHBondContact CB-OE1 3.5Å
129S98.1Very high98Very high51 Ų5133.9 Ų33.936%0.35717%0.174SC..SBendtrans-146.3175.4172.4-166.80000110.2D71 T127 C131D71-S129 WeakPolarHBondContact O-CB 3.36Å; T127-S129 WeakPolarHBondContact CB-O 3.3Å; S129-C131 PolarHBondContact O-SG 3.45Å
130K97.8Very high98.1Very high110 Ų11031.8 Ų31.848%0.47816%0.162SC..  trans-66.7130.2171.5178.4177.5175.3-160.80109.8S105 D132S105-K130 WeakPolarHBondContact O-CG 3.39Å; K130-D132 WeakPolarHBondContact CE-OD1 3.4Å; K130-D132 WeakPolarHBondContact CE-OD2 3.45Å; K130-D132 WeakPolarHBondContact CG-OD1 3.46Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 IonicContact NZ-OD2 2.71Å; K130-D132 PolarHBondContact NZ-OD2 3.03Å
131C96.7Very high98.1Very high0 Ų031.8 Ų31.80%016%0.162CC..  trans-133.351.5-169.5-59.30000113.3F72 H104 S129 W133 L134F72-C131 HydrophobicContact CE2-CB 4.38Å; H104-C131 HydrophobicContact CB-CB 3.97Å; H104-C131 WeakPolarHBondContact CB-O 3.21Å; H104-C131 PolarHBondContact O-N 2.98Å; S129-C131 PolarHBondContact O-SG 3.45Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 3.96Å; C131-W133 PolarHBondContact O-N 2.95Å; C131-L134 HydrophobicContact CB-CD1 3.8Å; C131-L134 HydrophobicContact CB-CG 4.1Å; C131-L134 WeakPolarHBondContact O-CB 3.24Å; C131-L134 PolarHBondContact O-N 3.44Å
132D96.8Very high98.2Very high69 Ų6931.6 Ų31.637%0.36916%0.16SC..G310 helixtrans-55.2-24.3-172.9-64.2-2.1000114.7K130 L134 D135K130-D132 WeakPolarHBondContact CE-OD1 3.4Å; K130-D132 WeakPolarHBondContact CE-OD2 3.45Å; K130-D132 WeakPolarHBondContact CG-OD1 3.46Å; K130-D132 IonicContact NZ-OD1 3.74Å; K130-D132 IonicContact NZ-OD2 2.71Å; K130-D132 PolarHBondContact NZ-OD2 3.03Å; D132-L134 PolarHBondContact O-N 3.34Å; D132-D135 VanDerWaalsContact O-CB 3.31Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.41Å; D132-D135 VanDerWaalsContact O-N 3.09Å
133W97.5Very high98.2Very high150 Ų15033.6 Ų33.657%0.56817%0.168SC*.G310 helixtrans-68.4-9.9177.660.485.7000114.3F72 C131 K137F72-W133 AromaticContact CD2-CZ2 3.8Å; F72-W133 HydrophobicContact CD2-CZ2 3.8Å; F72-W133 AromaticContact CE2-CZ2 3.7Å; F72-W133 HydrophobicContact CE2-CZ2 3.7Å; F72-W133 AromaticContact CE2-NE1 3.86Å; C131-W133 HydrophobicContact CB-CH2 4.21Å; C131-W133 HydrophobicContact CB-CZ2 3.96Å; C131-W133 PolarHBondContact O-N 2.95Å; W133-K137 PolarHBondContact O-NZ 2.79Å
134L97.8Very high98.2Very high15 Ų1533.5 Ų33.58%0.07917%0.168CC..G310 helixtrans-91.7-11.5173.9-58-176.2000113F72 H104 F125 C131 D132 G136 K137 H138F72-L134 HydrophobicContact CE2-CD1 3.94Å; F72-L134 HydrophobicContact CZ-CD1 4.24Å; H104-L134 PolarHBondContact CE1-O 3.19Å; F125-L134 HydrophobicContact CE2-CD1 3.69Å; F125-L134 HydrophobicContact CZ-CD1 3.64Å; C131-L134 HydrophobicContact CB-CD1 3.8Å; C131-L134 HydrophobicContact CB-CG 4.1Å; C131-L134 WeakPolarHBondContact O-CB 3.24Å; C131-L134 PolarHBondContact O-N 3.44Å; D132-L134 PolarHBondContact O-N 3.34Å; L134-G136 PolarHBondContact O-N 2.87Å; L134-K137 PolarHBondContact O-N 3.48Å; L134-K137 VanDerWaalsContact O-N 3.1Å; L134-H138 PolarHBondContact O-N 2.72Å
135D97.7Very high98.1Very high37 Ų3734.2 Ų34.220%0.19817%0.172CC..THydrogen-bonded Turntrans-60.4137.3177.2-70.7-3.8000110.6R103 H104 D132 K137R103-D135 WeakPolarHBondContact CA-OD1 3.39Å; R103-D135 WeakPolarHBondContact CB-OD2 3.16Å; R103-D135 WeakPolarHBondContact CD-OD2 3.42Å; R103-D135 VanDerWaalsContact CG-OD2 3.28Å; R103-D135 WeakPolarHBondContact CG-OD2 3.23Å; R103-D135 IonicContact NE-OD2 3.63Å; R103-D135 PolarHBondContact NE-OD2 3.43Å; H104-D135 IonicContact CE1-OD1 2.82Å; H104-D135 IonicContact CG-OD1 2.72Å; H104-D135 PolarHBondContact N-OD1 3.13Å; H104-D135 IonicContact ND1-OD1 3.68Å; H104-D135 PolarHBondContact ND1-OD1 3.03Å; D132-D135 VanDerWaalsContact O-CB 3.31Å; D132-D135 WeakPolarHBondContact O-CB 3.24Å; D132-D135 PolarHBondContact O-N 3.41Å; D132-D135 VanDerWaalsContact O-N 3.09Å; D135-K137 PolarHBondContact O-N 3.22Å
136G97.4Very high98.1Very high45 Ų4536.5 Ų36.546%0.46418%0.184SC..THydrogen-bonded Turntrans75.71.7-17600000115.1F100 L134F100-G136 WeakPolarHBondContact CZ-O 3.44Å; L134-G136 PolarHBondContact O-N 2.87Å
137K97.9Very high98Very high122 Ų12237 Ų3753%0.5319%0.19SC..THydrogen-bonded Turntrans-120.8-33.7179.5-59.8174.3-172.6158.90113.1N114 W133 L134 D135N114-K137 PolarHBondContact ND2-O 2.75Å; W133-K137 PolarHBondContact O-NZ 2.79Å; L134-K137 PolarHBondContact O-N 3.48Å; L134-K137 VanDerWaalsContact O-N 3.1Å; D135-K137 PolarHBondContact O-N 3.22Å
138H98.6Very high97.9Very high32 Ų3240.6 Ų40.615%0.14821%0.209CC..SBendtrans-125.5132.5-179.2-61.4-81.1000110.1H104 S111 M112 N114 F125 L134 V140H104-H138 PolarHBondContact CE1-O 3.4Å; H104-H138 VanDerWaalsContact CE1-O 3.32Å; S111-H138 WeakPolarHBondContact OG-CB 3.37Å; M112-H138 PolarHBondContact O-ND1 3.29Å; N114-H138 PolarHBondContact OD1-CE1 3.02Å; F125-H138 HydrophobicContact CE1-CB 3.98Å; F125-H138 AromaticContact CE1-CG 3.83Å; F125-H138 AromaticContact CE1-ND1 3.84Å; F125-H138 HydrophobicContact CZ-CB 3.92Å; L134-H138 PolarHBondContact O-N 2.72Å; H138-V140 PolarHBondContact O-N 3.26Å
139V98.7Very high97.9Very high0 Ų047.1 Ų47.10%024%0.243CC..  trans-77.6113.5179.6-179.50000108.7V36 T39 D97 F100 S111 M112 F141V36-V139 HydrophobicContact CG1-CG1 3.89Å; T39-V139 HydrophobicContact CG2-CG1 4.23Å; D97-V139 HydrophobicContact CB-CG2 3.91Å; F100-V139 HydrophobicContact CD1-CG2 4.31Å; F100-V139 HydrophobicContact CE1-CG2 3.94Å; S111-V139 VanDerWaalsContact CA-O 3.29Å; S111-V139 WeakPolarHBondContact CA-O 3.47Å; S111-V139 PolarHBondContact OG-O 2.69Å; S111-V139 VanDerWaalsContact OG-O 3.13Å; M112-V139 HydrophobicContact CG-CB 4.35Å; M112-V139 PolarHBondContact N-O 2.86Å; V139-F141 WeakPolarHBondContact O-CD1 3.14Å
140V98.8Very high97.9Very high4 Ų445.2 Ų45.22%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-75128.1167.3176.90000108.3F32 L102 H104 L109 H138F32-V140 HydrophobicContact CE2-CG1 4.18Å; L102-V140 HydrophobicContact CB-CB 3.77Å; L102-V140 HydrophobicContact CB-CG1 3.99Å; L102-V140 HydrophobicContact CD1-CG1 4.34Å; H104-V140 WeakPolarHBondContact NE2-CG2 3.33Å; L109-V140 HydrophobicContact CB-CG1 4.37Å; H138-V140 PolarHBondContact O-N 3.26Å
141F98.8Very high98Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-138.75.4-173.271-90.4000114.9L31 F32 V36 T39 F43 L110 S111 M112 F124 V139L31-F141 HydrophobicContact CD2-CD2 4.34Å; L31-F141 HydrophobicContact CD2-CE2 4.29Å; F32-F141 VanDerWaalsContact CD2-C 3.41Å; F32-F141 PolarHBondContact N-O 3.16Å; V36-F141 HydrophobicContact CG2-CB 3.48Å; V36-F141 VanDerWaalsContact CG2-CB 3.48Å; T39-F141 HydrophobicContact CG2-CB 3.66Å; T39-F141 HydrophobicContact CG2-CD1 3.71Å; T39-F141 HydrophobicContact CG2-CD2 4.21Å; T39-F141 HydrophobicContact CG2-CE1 4.38Å; T39-F141 HydrophobicContact CG2-CG 3.61Å; F43-F141 HydrophobicContact CB-CD2 4.33Å; F43-F141 HydrophobicContact CB-CE2 3.53Å; F43-F141 HydrophobicContact CB-CZ 4.2Å; F43-F141 HydrophobicContact CD1-CE2 4.1Å; F43-F141 AromaticContact CD2-CE2 3.47Å; F43-F141 HydrophobicContact CD2-CE2 3.47Å; F43-F141 VanDerWaalsContact CD2-CE2 3.47Å; F43-F141 AromaticContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CD2-CZ 3.42Å; F43-F141 VanDerWaalsContact CD2-CZ 3.42Å; F43-F141 HydrophobicContact CE2-CE2 4.1Å; F43-F141 AromaticContact CE2-CZ 3.86Å; F43-F141 HydrophobicContact CE2-CZ 3.86Å; F43-F141 AromaticContact CG-CE2 3.44Å; F43-F141 HydrophobicContact CG-CE2 3.44Å; F43-F141 VanDerWaalsContact CG-CE2 3.44Å; F43-F141 AromaticContact CG-CZ 3.92Å; F43-F141 HydrophobicContact CG-CZ 3.92Å; L110-F141 HydrophobicContact CD1-CE1 4.46Å; L110-F141 HydrophobicContact CD1-CZ 3.96Å; L110-F141 HydrophobicContact CD2-CD2 3.94Å; L110-F141 HydrophobicContact CD2-CE1 4.37Å; L110-F141 HydrophobicContact CD2-CE2 3.22Å; L110-F141 HydrophobicContact CD2-CZ 3.5Å; L110-F141 VanDerWaalsContact CD2-CZ 3.5Å; L110-F141 HydrophobicContact CG-CD1 4.43Å; L110-F141 HydrophobicContact CG-CD2 4.26Å; L110-F141 HydrophobicContact CG-CE1 3.83Å; L110-F141 HydrophobicContact CG-CE2 3.61Å; L110-F141 HydrophobicContact CG-CZ 3.38Å; L110-F141 PolarHBondContact O-N 3.48Å; S111-F141 VanDerWaalsContact C-CE1 3.43Å; M112-F141 HydrophobicContact CB-CE1 4.44Å; M112-F141 HydrophobicContact CG-CD1 3.78Å; M112-F141 HydrophobicContact CG-CE1 3.71Å; M112-F141 HydrophobicContact SD-CD1 3.97Å; M112-F141 HydrophobicContact SD-CE1 3.38Å; M112-F141 WeakPolarHBondContact SD-CE1 3.43Å; M112-F141 HydrophobicContact SD-CZ 3.86Å; F124-F141 HydrophobicContact CB-CZ 4.27Å; V139-F141 WeakPolarHBondContact O-CD1 3.14Å
142G98.5Very high98Very high0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-170.5-177.917200000113.5E30 F32 L110E30-G142 CarbonylContact O-C 3.53Å; E30-G142 WeakPolarHBondContact O-CA 3.28Å; F32-G142 VanDerWaalsContact CD2-CA 3.48Å; F32-G142 VanDerWaalsContact CD2-N 3.28Å; F32-G142 VanDerWaalsContact CE2-CA 3.43Å; F32-G142 WeakPolarHBondContact CE2-O 2.81Å; L110-G142 PolarHBondContact N-O 3.17Å; L110-G142 PolarHBondContact O-N 2.8Å
143K98.4Very high98.1Very high43 Ų4345.6 Ų45.619%0.18723%0.225CC..EExtended strand (participates in β ladder)trans-148.1150.4172.167.1-178.4177.7-169.10111.8S6 I29 E30 F32 G108 L109 I145S6-K143 PolarHBondContact OG-NZ 2.87Å; S6-K143 VanDerWaalsContact OG-NZ 3.09Å; I29-K143 CarbonylContact C-O 3.52Å; I29-K143 VanDerWaalsContact CA-O 3.29Å; I29-K143 WeakPolarHBondContact CA-O 3.25Å; E30-K143 HydrophobicContact CB-CG 4.39Å; E30-K143 PolarHBondContact N-O 3.34Å; E30-K143 PolarHBondContact O-N 3.49Å; E30-K143 WeakPolarHBondContact OE2-CE 3.34Å; E30-K143 IonicContact OE2-NZ 3.28Å; E30-K143 PolarHBondContact OE2-NZ 3.38Å; F32-K143 HydrophobicContact CE1-CD 4.07Å; F32-K143 HydrophobicContact CE1-CG 3.92Å; F32-K143 HydrophobicContact CZ-CB 3.81Å; F32-K143 HydrophobicContact CZ-CD 3.86Å; F32-K143 HydrophobicContact CZ-CG 3.66Å; G108-K143 CarbonylContact O-C 3.59Å; G108-K143 VanDerWaalsContact O-CA 3.3Å; G108-K143 WeakPolarHBondContact O-CA 3.47Å; L109-K143 HydrophobicContact CD2-CB 4.04Å; K143-I145 HydrophobicContact CG-CG2 4.13Å; K143-I145 PolarHBondContact O-N 3.19Å
144I98.4Very high98.2Very high15 Ų1538.4 Ų38.48%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-66.5122.8166.6-64.9-179.9000108.7M27 K28 I29 G108 I126 D146 L148 M151M27-I144 HydrophobicContact SD-CD1 3.73Å; K28-I144 WeakPolarHBondContact O-CA 3.38Å; I29-I144 HydrophobicContact CG1-CG1 4.39Å; G108-I144 PolarHBondContact O-N 3.33Å; I126-I144 HydrophobicContact CD1-CD1 4.24Å; I126-I144 HydrophobicContact CG2-CD1 3.78Å; I126-I144 HydrophobicContact CG2-CG1 4.31Å; I144-D146 VanDerWaalsContact CG2-O 3.23Å; I144-D146 WeakPolarHBondContact CG2-O 3.35Å; I144-L148 HydrophobicContact CD1-CD1 4.43Å; I144-L148 HydrophobicContact CG2-CB 4.44Å; I144-L148 HydrophobicContact CG2-CD1 4.5Å; I144-M151 HydrophobicContact CD1-CB 3.75Å; I144-M151 HydrophobicContact CD1-CG 4Å; I144-M151 HydrophobicContact CD1-SD 3.94Å
145I97.5Very high98.2Very high14 Ų1438 Ų387%0.07220%0.195CC..EExtended strand (participates in β ladder)trans-102.8-20.7173.457.9169.9000112.2A2 V3 N5 V12 K28 E30 K143A2-I145 CarbonylContact C-O 3.52Å; A2-I145 VanDerWaalsContact CA-O 3.25Å; A2-I145 WeakPolarHBondContact CA-O 3.43Å; V3-I145 PolarHBondContact N-O 2.83Å; N5-I145 VanDerWaalsContact OD1-CD1 3.31Å; N5-I145 WeakPolarHBondContact OD1-CD1 3.32Å; V12-I145 HydrophobicContact CG1-CD1 3.81Å; V12-I145 HydrophobicContact CG2-CD1 3.97Å; K28-I145 HydrophobicContact CB-CD1 4.3Å; K28-I145 HydrophobicContact CB-CG1 3.83Å; K28-I145 WeakPolarHBondContact O-CG1 3.36Å; K28-I145 PolarHBondContact O-N 3.12Å; E30-I145 HydrophobicContact CB-CG2 3.73Å; K143-I145 HydrophobicContact CG-CG2 4.13Å; K143-I145 PolarHBondContact O-N 3.19Å
146D97.9Very high98.2Very high58 Ų5840.3 Ų40.331%0.3121%0.208SC..EExtended strand (participates in β ladder)trans-151.8148.2175.2-166.87.1000109.8M27 K28 I144M27-D146 WeakPolarHBondContact CA-O 3.35Å; K28-D146 HydrophobicContact CB-CB 3.89Å; K28-D146 HydrophobicContact CD-CB 3.76Å; K28-D146 WeakPolarHBondContact CE-OD2 3.39Å; K28-D146 HydrophobicContact CG-CB 3.97Å; K28-D146 PolarHBondContact N-O 3.01Å; K28-D146 IonicContact NZ-OD2 3.68Å; K28-D146 PolarHBondContact NZ-OD2 3Å; K28-D146 PolarHBondContact O-N 3.39Å; I144-D146 VanDerWaalsContact CG2-O 3.23Å; I144-D146 WeakPolarHBondContact CG2-O 3.35Å
147G97.4Very high98.3Very high12 Ų1239 Ų3912%0.12419%0.191CC..  trans86.922.8-178.600000115.6R26 L149 V150 M151R26-G147 WeakPolarHBondContact O-CA 3.35Å; G147-L149 PolarHBondContact O-N 2.72Å; G147-L149 VanDerWaalsContact O-N 3.15Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 VanDerWaalsContact O-CB 3.28Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.86Å; G147-M151 PolarHBondContact O-N 3.25Å
148L97.4Very high98.3Very high75 Ų7537 Ų3739%0.39319%0.19SC..Hα-helixtrans-56.6-30.9173.9-16671000112.6I144 V150 M151 R152I144-L148 HydrophobicContact CD1-CD1 4.43Å; I144-L148 HydrophobicContact CG2-CB 4.44Å; I144-L148 HydrophobicContact CG2-CD1 4.5Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.14Å; L148-M151 HydrophobicContact CD1-CE 3.72Å; L148-M151 HydrophobicContact CD1-SD 3.81Å; L148-M151 HydrophobicContact CG-CE 4.3Å; L148-M151 WeakPolarHBondContact O-CB 3.1Å; L148-M151 PolarHBondContact O-N 2.86Å; L148-R152 WeakPolarHBondContact O-CG 3.3Å; L148-R152 PolarHBondContact O-N 2.76Å
149L98Very high98.3Very high138 Ų13838 Ų3872%0.72320%0.199SC*.Hα-helixtrans-65-31.8173.3-67.5177.5000112.6G147 R152 K153G147-L149 PolarHBondContact O-N 2.72Å; G147-L149 VanDerWaalsContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 2.99Å; L149-K153 WeakPolarHBondContact O-CG 3.29Å; L149-K153 PolarHBondContact O-N 2.81Å
150V98.6Very high98.2Very high10 Ų1039.2 Ų39.26%0.06121%0.212CC..Hα-helixtrans-66.8-46.4174.4-179.30000109.6V17 V24 M27 G147 L148 R152 K153 I154V17-V150 HydrophobicContact CB-CG1 4.14Å; V17-V150 HydrophobicContact CG2-CG1 4.29Å; V24-V150 HydrophobicContact CG2-CG1 4.05Å; M27-V150 HydrophobicContact CG-CB 3.73Å; M27-V150 HydrophobicContact CG-CG1 3.87Å; M27-V150 HydrophobicContact SD-CB 4.41Å; M27-V150 HydrophobicContact SD-CG1 4.38Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 VanDerWaalsContact O-CB 3.28Å; G147-V150 WeakPolarHBondContact O-CB 3.48Å; G147-V150 PolarHBondContact O-N 2.86Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.14Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 3.25Å; V150-K153 WeakPolarHBondContact O-CB 3.26Å; V150-K153 PolarHBondContact O-N 3.26Å; V150-K153 VanDerWaalsContact O-N 3.09Å; V150-I154 HydrophobicContact CG1-CD1 4.33Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.03Å
151M98.4Very high98.1Very high0 Ų044.5 Ų44.50%025%0.246CC..Hα-helixtrans-54.4-45.6172.3-175.8-151.675.800111.5M27 I74 I126 T127 C128 I144 G147 L148 K153 I154 E155M27-M151 HydrophobicContact SD-CB 3.86Å; I74-M151 HydrophobicContact CD1-CB 4.39Å; I74-M151 HydrophobicContact CD1-CG 3.66Å; I74-M151 HydrophobicContact CG1-CG 4.4Å; I126-M151 HydrophobicContact CG2-CG 4.07Å; I126-M151 HydrophobicContact CG2-SD 3.71Å; T127-M151 VanDerWaalsContact O-SD 3.41Å; C128-M151 HydrophobicContact CB-CE 4.44Å; I144-M151 HydrophobicContact CD1-CB 3.75Å; I144-M151 HydrophobicContact CD1-CG 4Å; I144-M151 HydrophobicContact CD1-SD 3.94Å; G147-M151 PolarHBondContact O-N 3.25Å; L148-M151 HydrophobicContact CD1-CE 3.72Å; L148-M151 HydrophobicContact CD1-SD 3.81Å; L148-M151 HydrophobicContact CG-CE 4.3Å; L148-M151 WeakPolarHBondContact O-CB 3.1Å; L148-M151 PolarHBondContact O-N 2.86Å; M151-K153 PolarHBondContact O-N 2.82Å; M151-I154 PolarHBondContact O-N 3.42Å; M151-E155 WeakPolarHBondContact O-CB 3.42Å; M151-E155 PolarHBondContact O-N 2.91Å
152R98.4Very high97.9Very high78 Ų7851.4 Ų51.429%0.29428%0.283SS..Hα-helixtrans-64.5-34.7176.8-67.5-59.3-176.4-172.9-4.7113.3C128 L148 L149 V150 E155 N156C128-R152 VanDerWaalsContact O-CZ 3.29Å; C128-R152 PolarHBondContact O-NH1 3.37Å; C128-R152 PolarHBondContact O-NH2 2.89Å; L148-R152 WeakPolarHBondContact O-CG 3.3Å; L148-R152 PolarHBondContact O-N 2.76Å; L149-R152 PolarHBondContact O-N 2.99Å; V150-R152 VanDerWaalsContact C-N 3.3Å; V150-R152 PolarHBondContact O-N 3.25Å; R152-E155 WeakPolarHBondContact CD-OE2 3.44Å; R152-E155 IonicContact CZ-OE2 3.9Å; R152-E155 IonicContact NE-OE2 2.72Å; R152-E155 VanDerWaalsContact NH1-CD 3.33Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.98Å; R152-E155 IonicContact NH1-OE2 3.67Å; R152-E155 PolarHBondContact NH1-OE2 3.46Å; R152-N156 PolarHBondContact O-N 3.01Å; R152-N156 PolarHBondContact O-ND2 2.86Å
153K98.4Very high97.9Very high109 Ų10954.4 Ų54.447%0.47430%0.299SS..Hα-helixtrans-63.4-44.9172.3-72.7175.8-174.5-179.20111I19 V24 L149 V150 M151 N156I19-K153 HydrophobicContact CD1-CB 4.47Å; V24-K153 HydrophobicContact CB-CD 4.14Å; V24-K153 PolarHBondContact O-NZ 3.43Å; L149-K153 WeakPolarHBondContact O-CG 3.29Å; L149-K153 PolarHBondContact O-N 2.81Å; V150-K153 WeakPolarHBondContact O-CB 3.26Å; V150-K153 PolarHBondContact O-N 3.26Å; V150-K153 VanDerWaalsContact O-N 3.09Å; M151-K153 PolarHBondContact O-N 2.82Å; K153-N156 PolarHBondContact O-N 3.23Å
154I98.6Very high97.9Very high0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-61.8-47177.1-59.4165.3000110.3V17 I19 M27 F65 V68 I74 V150 M151 N156 V157 V169V17-I154 HydrophobicContact CG1-CD1 3.94Å; V17-I154 HydrophobicContact CG1-CG1 4.23Å; V17-I154 HydrophobicContact CG2-CD1 4.34Å; I19-I154 HydrophobicContact CD1-CG1 4.46Å; M27-I154 HydrophobicContact CE-CD1 3.82Å; M27-I154 HydrophobicContact SD-CD1 4.48Å; F65-I154 HydrophobicContact CB-CG2 4.5Å; F65-I154 HydrophobicContact CD2-CD1 4.39Å; F65-I154 HydrophobicContact CE2-CD1 4.06Å; F65-I154 HydrophobicContact CG-CG2 4.42Å; F65-I154 HydrophobicContact CZ-CD1 4.29Å; V68-I154 HydrophobicContact CG2-CG2 4.04Å; I74-I154 HydrophobicContact CB-CG2 4.2Å; I74-I154 HydrophobicContact CD1-CB 4.1Å; I74-I154 HydrophobicContact CD1-CD1 3.92Å; I74-I154 HydrophobicContact CD1-CG2 4.01Å; I74-I154 HydrophobicContact CG2-CB 4.4Å; I74-I154 HydrophobicContact CG2-CG2 3.82Å; V150-I154 HydrophobicContact CG1-CD1 4.33Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 3.03Å; M151-I154 PolarHBondContact O-N 3.42Å; I154-N156 PolarHBondContact O-N 2.79Å; I154-V157 WeakPolarHBondContact O-CG1 3.42Å; I154-V157 WeakPolarHBondContact O-CG2 3.33Å; I154-V157 PolarHBondContact O-N 2.82Å; I154-V169 HydrophobicContact CB-CG1 4.41Å; I154-V169 HydrophobicContact CD1-CG1 4.2Å; I154-V169 HydrophobicContact CG1-CG1 3.84Å; I154-V169 HydrophobicContact CG2-CG1 3.79Å; I154-V169 HydrophobicContact CG2-CG2 4.37Å
155E98.6Very high97.9Very high5 Ų558 Ų582%0.02332%0.315CS..Hα-helixtrans-56.1-33.8179.3-178.5-170.9-160.600113.4K70 D71 I74 C128 M151 R152K70-E155 HydrophobicContact CB-CG 4.43Å; K70-E155 HydrophobicContact CG-CG 4.29Å; D71-E155 WeakPolarHBondContact CA-OE1 3.31Å; D71-E155 PolarHBondContact N-OE1 2.6Å; I74-E155 HydrophobicContact CG2-CB 4.35Å; C128-E155 VanDerWaalsContact CB-CD 3.46Å; C128-E155 HydrophobicContact CB-CG 4.12Å; C128-E155 WeakPolarHBondContact CB-OE1 3.5Å; M151-E155 WeakPolarHBondContact O-CB 3.42Å; M151-E155 PolarHBondContact O-N 2.91Å; R152-E155 WeakPolarHBondContact CD-OE2 3.44Å; R152-E155 IonicContact CZ-OE2 3.9Å; R152-E155 IonicContact NE-OE2 2.72Å; R152-E155 VanDerWaalsContact NH1-CD 3.33Å; R152-E155 IonicContact NH1-OE1 3.6Å; R152-E155 PolarHBondContact NH1-OE1 2.98Å; R152-E155 IonicContact NH1-OE2 3.67Å; R152-E155 PolarHBondContact NH1-OE2 3.46Å
156N98.4Very high97.9Very high87 Ų8764.4 Ų64.447%0.46534%0.343SS..THydrogen-bonded Turntrans-94.68.7-175.7-74.8-83.1000114K70 R152 K153 I154K70-N156 WeakPolarHBondContact CE-OD1 3.3Å; K70-N156 PolarHBondContact NZ-OD1 3.36Å; R152-N156 PolarHBondContact O-N 3.01Å; R152-N156 PolarHBondContact O-ND2 2.86Å; K153-N156 PolarHBondContact O-N 3.23Å; I154-N156 PolarHBondContact O-N 2.79Å
157V98.3Very high97.9Very high16 Ų1666.1 Ų66.110%0.09735%0.351CS..SBendtrans-66.9145.2174.3-59.20000111I19 V68 I154 T159 P165 V169I19-V157 HydrophobicContact CD1-CG1 3.78Å; I19-V157 HydrophobicContact CG2-CG1 4.07Å; V68-V157 HydrophobicContact CG1-CG2 4.3Å; I154-V157 WeakPolarHBondContact O-CG1 3.42Å; I154-V157 WeakPolarHBondContact O-CG2 3.33Å; I154-V157 PolarHBondContact O-N 2.82Å; V157-T159 PolarHBondContact O-N 3.43Å; V157-P165 HydrophobicContact CG2-CB 3.86Å; V157-P165 HydrophobicContact CG2-CG 4.05Å; V157-V169 HydrophobicContact CG1-CG2 4.22Å; V157-V169 HydrophobicContact CG2-CG2 4.3Å
158P98.3Very high97.9Very high81 Ų8169.3 Ų69.353%0.52637%0.37SS..  trans-60129.8171.3-23.734.2000111.2K166P158-K166 HydrophobicContact CB-CD 4.04Å; P158-K166 HydrophobicContact CB-CG 4.38Å; P158-K166 PolarHBondContact O-N 3.43Å
159T98.5Very high98Very high53 Ų5365.8 Ų65.833%0.32535%0.351SS..BIsolated β-bridgetrans-108.4156.2176.658.40000111.8V68 V157 K164 K166V68-T159 HydrophobicContact CB-CG2 4.07Å; V68-T159 HydrophobicContact CG1-CG2 4.27Å; V157-T159 PolarHBondContact O-N 3.43Å; T159-K164 CarbonylContact C-O 3.44Å; T159-K164 WeakPolarHBondContact CA-O 3.29Å; T159-K166 WeakPolarHBondContact O-CE 3.27Å
160G97.3Very high98Very high26 Ų2660.8 Ų60.827%0.26833%0.326SS..  trans-112.6-155.817400000111.9N163 K164G160-N163 PolarHBondContact O-N 3.29Å; G160-N163 VanDerWaalsContact O-N 3.16Å; G160-K164 PolarHBondContact N-O 3.37Å
161P96.5Very high98Very high115 Ų11560.3 Ų60.375%0.74732%0.324SS*.G310 helixtrans-50.3145.8174.8-26.735.4000112.5N163 K164P161-N163 PolarHBondContact O-N 2.87Å; P161-N163 VanDerWaalsContact O-N 3.13Å; P161-K164 PolarHBondContact O-N 3.02Å
162N94.6Very high98Very high145 Ų14561.3 Ų61.378%0.77533%0.331SS*.G310 helixtrans58.319.3-177.1-57.3-29.9000115K164N162-K164 PolarHBondContact O-N 3.02Å
163N98Very high98Very high63 Ų6361.6 Ų61.634%0.33734%0.335SS..G310 helixtrans62.824.7-177-48.7-74.8000113.4R67 V68 I69 G160 P161R67-N163 HydrophobicContact CG-CB 4.21Å; V68-N163 PolarHBondContact N-O 3.12Å; V68-N163 WeakPolarHBondContact O-CB 3.42Å; I69-N163 HydrophobicContact CD1-CB 4.44Å; I69-N163 HydrophobicContact CG1-CB 3.79Å; G160-N163 PolarHBondContact O-N 3.29Å; G160-N163 VanDerWaalsContact O-N 3.16Å; P161-N163 PolarHBondContact O-N 2.87Å; P161-N163 VanDerWaalsContact O-N 3.13Å
164K98Very high98Very high118 Ų11857.3 Ų57.351%0.51332%0.319SS..  trans-75.6131.1175.8-175.3169.4-178.1169.40110.1H66 T159 G160 P161 N162 K166H66-K164 WeakPolarHBondContact O-CA 3.47Å; T159-K164 CarbonylContact C-O 3.44Å; T159-K164 WeakPolarHBondContact CA-O 3.29Å; G160-K164 PolarHBondContact N-O 3.37Å; P161-K164 PolarHBondContact O-N 3.02Å; N162-K164 PolarHBondContact O-N 3.02Å; K164-K166 PolarHBondContact O-N 3.06Å
165P98.3Very high98Very high14 Ų1457.8 Ų57.89%0.09132%0.324CS..BIsolated β-bridgetrans-54.7136.8173.2-30.238.9000112.8F65 V68 V157 L167 V169F65-P165 WeakPolarHBondContact O-CG 3.5Å; V68-P165 HydrophobicContact CB-CG 4.11Å; V68-P165 HydrophobicContact CG2-CG 3.59Å; V157-P165 HydrophobicContact CG2-CB 3.86Å; V157-P165 HydrophobicContact CG2-CG 4.05Å; P165-L167 WeakPolarHBondContact CB-O 3.11Å; P165-V169 HydrophobicContact CB-CG2 4.03Å; P165-V169 HydrophobicContact CG-CG2 4.15Å
166K98.1Very high98Very high149 Ų14961.3 Ų61.365%0.64834%0.34SS*.SBendtrans-70.3-34.7175.9-67.3-171.9-172.4-1780112.1P158 T159 K164P158-K166 HydrophobicContact CB-CD 4.04Å; P158-K166 HydrophobicContact CB-CG 4.38Å; P158-K166 PolarHBondContact O-N 3.43Å; T159-K166 WeakPolarHBondContact O-CE 3.27Å; K164-K166 PolarHBondContact O-N 3.06Å
167L97.7Very high97.7Very high94 Ų9464 Ų6449%0.49235%0.352SS..SBendtrans-101.3136.3170.3-64.7177.1000108.5I19 P165 V169I19-L167 HydrophobicContact CG2-CB 4.2Å; I19-L167 HydrophobicContact CG2-CD1 4.46Å; P165-L167 WeakPolarHBondContact CB-O 3.11Å; L167-V169 PolarHBondContact O-N 3.5Å
168P97.8Very high97.7Very high79 Ų7966.5 Ų66.551%0.51337%0.365SS..  trans-57128.3175.9-24.333.7000111.1I19 G20 V170I19-P168 CarbonylContact C-O 3.51Å; I19-P168 WeakPolarHBondContact CA-O 3.13Å; G20-P168 PolarHBondContact N-O 3.45Å; P168-V170 HydrophobicContact CB-CG2 4.02Å
169V98.7Very high97.6Very high1 Ų165.7 Ų65.71%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-105.8109.1169.4-176.20000106.8V17 S18 I19 T64 F65 I154 V157 P165 L167V17-V169 HydrophobicContact CG1-CG1 3.75Å; S18-V169 CarbonylContact O-C 3.54Å; S18-V169 WeakPolarHBondContact O-CA 3.35Å; I19-V169 HydrophobicContact CG1-CG1 4.29Å; I19-V169 HydrophobicContact CG1-CG2 4.28Å; I19-V169 HydrophobicContact CG2-CG2 4.49Å; T64-V169 CarbonylContact C-O 3.47Å; T64-V169 WeakPolarHBondContact CA-O 3.2Å; T64-V169 WeakPolarHBondContact CB-O 3.48Å; F65-V169 HydrophobicContact CB-CB 4.12Å; F65-V169 HydrophobicContact CB-CG1 4.13Å; F65-V169 HydrophobicContact CD2-CB 4.33Å; F65-V169 HydrophobicContact CD2-CG1 3.57Å; F65-V169 HydrophobicContact CE2-CG1 4.38Å; F65-V169 HydrophobicContact CG-CG1 4.18Å; F65-V169 PolarHBondContact N-O 2.87Å; I154-V169 HydrophobicContact CB-CG1 4.41Å; I154-V169 HydrophobicContact CD1-CG1 4.2Å; I154-V169 HydrophobicContact CG1-CG1 3.84Å; I154-V169 HydrophobicContact CG2-CG1 3.79Å; I154-V169 HydrophobicContact CG2-CG2 4.37Å; V157-V169 HydrophobicContact CG1-CG2 4.22Å; V157-V169 HydrophobicContact CG2-CG2 4.3Å; P165-V169 HydrophobicContact CB-CG2 4.03Å; P165-V169 HydrophobicContact CG-CG2 4.15Å; L167-V169 PolarHBondContact O-N 3.5Å
170V98.8Very high97.6Very high33 Ų3366.4 Ų66.420%0.236%0.358CS..EExtended strand (participates in β ladder)trans-116.4138.1-168.1-174.90000109.9V17 S18 T64 P168 S172V17-V170 WeakPolarHBondContact CA-O 3.17Å; S18-V170 PolarHBondContact N-O 2.55Å; S18-V170 PolarHBondContact O-N 3.07Å; T64-V170 HydrophobicContact CG2-CG2 4.16Å; P168-V170 HydrophobicContact CB-CG2 4.02Å; V170-S172 PolarHBondContact O-N 3.16Å
171I98.8Very high97.6Very high0 Ų068.8 Ų68.80%036%0.363CS..EExtended strand (participates in β ladder)trans-78.293.9165.1-59.5173.1000106.8F15 D16 Y60 G62 S63 F65 F124 Q173 C174F15-I171 HydrophobicContact CB-CG2 4.15Å; F15-I171 HydrophobicContact CD1-CD1 4.2Å; F15-I171 HydrophobicContact CD1-CG2 3.62Å; F15-I171 HydrophobicContact CD2-CD1 4.11Å; F15-I171 HydrophobicContact CE1-CD1 4.09Å; F15-I171 HydrophobicContact CE1-CG2 4.2Å; F15-I171 HydrophobicContact CE2-CD1 4Å; F15-I171 HydrophobicContact CG-CD1 4.22Å; F15-I171 HydrophobicContact CG-CG1 4.39Å; F15-I171 HydrophobicContact CG-CG2 4.01Å; F15-I171 HydrophobicContact CZ-CD1 3.97Å; D16-I171 CarbonylContact O-C 3.35Å; D16-I171 WeakPolarHBondContact O-CA 3.42Å; Y60-I171 WeakPolarHBondContact O-CB 3.2Å; G62-I171 PolarHBondContact N-O 3.38Å; S63-I171 PolarHBondContact O-N 3.11Å; F65-I171 HydrophobicContact CD2-CG1 4.41Å; F65-I171 HydrophobicContact CE2-CD1 4.18Å; F65-I171 HydrophobicContact CE2-CG1 3.73Å; F65-I171 HydrophobicContact CZ-CD1 4.36Å; F65-I171 HydrophobicContact CZ-CG1 4.34Å; F124-I171 HydrophobicContact CE1-CD1 4.49Å; F124-I171 HydrophobicContact CZ-CD1 4.12Å; I171-Q173 WeakPolarHBondContact CG2-O 3.24Å; I171-C174 HydrophobicContact CG2-CB 3.88Å
172S98.5Very high97.7Very high21 Ų2165.9 Ų65.915%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-71.8-36.6-17356.90000111.9D16 E23 V170D16-S172 PolarHBondContact O-N 3.23Å; D16-S172 PolarHBondContact O-OG 2.91Å; E23-S172 WeakPolarHBondContact OE1-CB 3.45Å; E23-S172 PolarHBondContact OE1-OG 3.24Å; E23-S172 PolarHBondContact OE2-OG 3.35Å; E23-S172 VanDerWaalsContact OE2-OG 3.09Å; V170-S172 PolarHBondContact O-N 3.16Å
173Q98.5Very high97.9Very high84 Ų8460.6 Ų60.639%0.39331%0.31SS..EExtended strand (participates in β ladder)trans-141.4154.3169.4-58.4-65-41.200110.4F14 D16 K61 I171F14-Q173 HydrophobicContact CE2-CB 4.38Å; D16-Q173 HydrophobicContact CB-CB 4Å; D16-Q173 PolarHBondContact N-O 3.3Å; K61-Q173 VanDerWaalsContact CE-OE1 3.23Å; I171-Q173 WeakPolarHBondContact CG2-O 3.24Å
174C98.6Very high97.9Very high20 Ų2060.4 Ų60.414%0.13531%0.308CS..EExtended strand (participates in β ladder)trans-152161.4173.460.40000110.5F14 F15 C47 K61 I171F14-C174 WeakPolarHBondContact O-CA 3.02Å; F14-C174 WeakPolarHBondContact O-CB 3.47Å; F15-C174 HydrophobicContact CD1-CB 3.52Å; F15-C174 HydrophobicContact CE1-CB 3.82Å; C47-C174 CarbonylContact O-C 3.33Å; C47-C174 VanDerWaalsContact O-C 3.27Å; C47-C174 PolarHBondContact O-SG 2.97Å; K61-C174 PolarHBondContact N-SG 2.77Å; I171-C174 HydrophobicContact CG2-CB 3.88Å
175G98.4Very high97.9Very high9 Ų956 Ų569%0.09329%0.292CS..EExtended strand (participates in β ladder)trans173.1-170.5179.400000112V13 F14 C47V13-G175 CarbonylContact C-O 2.9Å; V13-G175 WeakPolarHBondContact CA-O 3.45Å; V13-G175 VanDerWaalsContact CB-O 3.27Å; V13-G175 WeakPolarHBondContact CB-O 3.35Å; F14-G175 WeakPolarHBondContact CD1-O 3.38Å; F14-G175 PolarHBondContact N-O 2.86Å; F14-G175 PolarHBondContact O-N 2.71Å; C47-G175 WeakPolarHBondContact O-CA 3.49Å; C47-G175 PolarHBondContact O-N 3.4Å
176E97.6Very high97.8Very high80 Ų8059.5 Ų59.537%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-102.4152.8172.4-172.9169.2-168.500109.9V13 R44 T48V13-E176 HydrophobicContact CG1-CB 4.43Å; R44-E176 WeakPolarHBondContact CD-OE2 3.49Å; R44-E176 IonicContact CZ-OE2 3.48Å; R44-E176 IonicContact NE-OE2 2.79Å; R44-E176 IonicContact NH1-OE2 3.66Å; R44-E176 PolarHBondContact NH1-OE2 2.97Å; T48-E176 HydrophobicContact CG2-CB 3.69Å
177M92.4Very high97.8Very high144 Ų14451.4 Ų51.471%0.70928%0.278SS*.  trans-103.30-177.7-68.7-159.864.600113.2V12 F14 K28V12-M177 HydrophobicContact CB-CB 4.29Å; V12-M177 HydrophobicContact CG1-CB 4.18Å; V12-M177 HydrophobicContact CG1-CG 4.18Å; V12-M177 HydrophobicContact CG1-SD 4.02Å; V12-M177 PolarHBondContact O-N 3.19Å; F14-M177 HydrophobicContact CB-CG 4.43Å; F14-M177 HydrophobicContact CB-SD 4.5Å; F14-M177 HydrophobicContact CD1-CG 3.89Å; K28-M177 HydrophobicContact CB-SD 4.42Å; K28-M177 HydrophobicContact CD-CE 4.23Å; K28-M177 HydrophobicContact CD-SD 3.56Å; K28-M177 VanDerWaalsContact CD-SD 3.56Å; K28-M177 HydrophobicContact CG-SD 3.73Å

Retrieved 177 of 177 residues in 34.6 ms (Link to these results)

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