A0A087YNU6_POEFO Loading...

tRNA-dihydrouridine(16/17) synthase [NAD(P)(+)]-like

Catalyzes the synthesis of dihydrouridine, a modified base found in the D-loop of most tRNAs. Specifically modifies U16 and U17 in cytoplasmic tRNAs. Affects the level of some mature tRNA and thereby the total cellular translation.

AlphaFold DB , UniProt , Accession A0A087YNU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M58.8Low92.1Very high245 Ų24577.6 Ų77.6100%1.20739%0.389SS*.  0165.40-60.3-175.7-162.800108.4
2A80.4Confident92.6Very high89 Ų8981.7 Ų81.774%0.73640%0.402SS*.  trans-66.9144.4171.200000110.9L4A2-L4 PolarHBondContact O-N 3.03Å
3K92Very high92.9Very high49 Ų4978.1 Ų78.121%0.21339%0.388CS..  trans-64.1115.6174.3177.5174.9-177.7160.10109.5N137 L140 V142 P143K3-N137 WeakPolarHBondContact CE-OD1 3.5Å; K3-N137 PolarHBondContact NZ-O 3.43Å; K3-N137 PolarHBondContact NZ-OD1 3.45Å; K3-L140 PolarHBondContact NZ-O 3.24Å; K3-V142 VanDerWaalsContact CE-C 3.5Å; K3-V142 WeakPolarHBondContact CE-O 3.43Å; K3-V142 PolarHBondContact NZ-O 3.31Å; K3-P143 HydrophobicContact CG-CG 4.4Å
4L95.5Very high93.3Very high50 Ų5072.6 Ų72.626%0.26236%0.361SS..  trans-66.5148.5179.4-66.7178.1000111.1A2 E8 F9 K12 P143A2-L4 PolarHBondContact O-N 3.03Å; L4-E8 HydrophobicContact CD2-CB 4.48Å; L4-F9 HydrophobicContact CB-CB 4.08Å; L4-K12 HydrophobicContact CD1-CB 3.79Å; L4-K12 HydrophobicContact CD1-CD 4.01Å; L4-K12 HydrophobicContact CD2-CD 4.27Å; L4-P143 WeakPolarHBondContact O-CG 3.18Å
5Q96.9Very high93.7Very high123 Ų12379.9 Ų79.958%0.57538%0.382SS*.  trans-125.5150.1-171.5-66.3-173.50.900112.8F7 E8 F9Q5-F7 PolarHBondContact O-N 3.06Å; Q5-E8 WeakPolarHBondContact O-CA 3.19Å; Q5-E8 WeakPolarHBondContact O-CB 3.4Å; Q5-E8 PolarHBondContact O-N 2.83Å; Q5-F9 PolarHBondContact O-N 3.32Å; Q5-F9 VanDerWaalsContact O-N 3.1Å
6G97.6Very high93.9Very high8 Ų880.8 Ų80.88%0.08239%0.386CS..Hα-helixtrans40.1-120.5172.800000115.1E8 F9 W10 Q170 P204G6-E8 VanDerWaalsContact C-N 3.27Å; G6-E8 PolarHBondContact O-N 2.93Å; G6-F9 WeakPolarHBondContact O-CB 3.39Å; G6-F9 PolarHBondContact O-N 3.46Å; G6-W10 PolarHBondContact O-N 3.42Å; G6-W10 VanDerWaalsContact O-N 3.1Å; G6-Q170 WeakPolarHBondContact CA-O 3.41Å; G6-P204 VanDerWaalsContact C-CD 3.45Å
7F98.4Very high94.2Very high60 Ų6076.1 Ų76.126%0.26336%0.364SS..Hα-helixtrans-66.4-19.9179.5-83.5-85.3000114.6Q5 W10 R11 N202 P204 Q227Q5-F7 PolarHBondContact O-N 3.06Å; F7-W10 AromaticContact CD1-CE3 3.76Å; F7-W10 HydrophobicContact CD1-CE3 3.76Å; F7-W10 HydrophobicContact CD1-CZ3 4.02Å; F7-W10 HydrophobicContact CE1-CE3 4.2Å; F7-W10 HydrophobicContact CE1-CZ3 4.24Å; F7-R11 WeakPolarHBondContact O-CB 3.33Å; F7-R11 VanDerWaalsContact O-CG 3.25Å; F7-R11 WeakPolarHBondContact O-CG 3.35Å; F7-R11 PolarHBondContact O-N 3.34Å; F7-R11 PolarHBondContact O-NE 2.84Å; F7-N202 WeakPolarHBondContact CD2-O 3.38Å; F7-N202 WeakPolarHBondContact CE2-O 3.39Å; F7-P204 HydrophobicContact CD1-CG 4.03Å; F7-P204 HydrophobicContact CD2-CG 4.14Å; F7-P204 HydrophobicContact CE1-CG 4.19Å; F7-P204 HydrophobicContact CE2-CG 4.29Å; F7-P204 HydrophobicContact CG-CG 3.99Å; F7-P204 HydrophobicContact CZ-CG 4.31Å; F7-Q227 HydrophobicContact CE1-CG 3.58Å; F7-Q227 HydrophobicContact CZ-CG 4.05Å
8E98.1Very high94.4Very high84 Ų8479.3 Ų79.339%0.39337%0.372SS..Hα-helixtrans-75.6-41.6170.9-67.4-145.9104.700111.9L4 Q5 G6 R11 K12L4-E8 HydrophobicContact CD2-CB 4.48Å; Q5-E8 WeakPolarHBondContact O-CA 3.19Å; Q5-E8 WeakPolarHBondContact O-CB 3.4Å; Q5-E8 PolarHBondContact O-N 2.83Å; G6-E8 VanDerWaalsContact C-N 3.27Å; G6-E8 PolarHBondContact O-N 2.93Å; E8-R11 PolarHBondContact O-N 3.43Å; E8-K12 VanDerWaalsContact O-CB 3.32Å; E8-K12 WeakPolarHBondContact O-CB 3.49Å; E8-K12 PolarHBondContact O-N 3.06Å; E8-K12 IonicContact OE1-NZ 3.45Å; E8-K12 PolarHBondContact OE1-NZ 3.1Å; E8-K12 IonicContact OE2-NZ 2.57Å
9F98.3Very high94.7Very high0 Ų077.4 Ų77.40%036%0.362CS..Iπ-helixtrans-58.6-49.3173.7158.1-119.8000111.1L4 Q5 G6 R11 T13 L14 A101 P143 T145 Q170 L171L4-F9 HydrophobicContact CB-CB 4.08Å; Q5-F9 PolarHBondContact O-N 3.32Å; Q5-F9 VanDerWaalsContact O-N 3.1Å; G6-F9 WeakPolarHBondContact O-CB 3.39Å; G6-F9 PolarHBondContact O-N 3.46Å; F9-R11 PolarHBondContact O-N 3.41Å; F9-T13 HydrophobicContact CD2-CG2 4.13Å; F9-T13 HydrophobicContact CE2-CG2 4Å; F9-T13 WeakPolarHBondContact O-CA 3.45Å; F9-T13 VanDerWaalsContact O-CB 3.26Å; F9-T13 WeakPolarHBondContact O-CB 3.04Å; F9-T13 PolarHBondContact O-N 2.91Å; F9-L14 HydrophobicContact CD1-CD1 4.4Å; F9-L14 HydrophobicContact CD2-CG 4.36Å; F9-L14 HydrophobicContact CE1-CD1 3.68Å; F9-L14 HydrophobicContact CE1-CG 4.19Å; F9-L14 HydrophobicContact CE2-CD1 4.17Å; F9-L14 HydrophobicContact CE2-CD2 3.79Å; F9-L14 HydrophobicContact CE2-CG 3.77Å; F9-L14 HydrophobicContact CZ-CD1 3.54Å; F9-L14 HydrophobicContact CZ-CD2 3.75Å; F9-L14 HydrophobicContact CZ-CG 3.67Å; F9-L14 PolarHBondContact O-N 3.38Å; F9-L14 VanDerWaalsContact O-N 3.11Å; F9-A101 HydrophobicContact CE2-CB 4.12Å; F9-A101 HydrophobicContact CZ-CB 3.62Å; F9-P143 HydrophobicContact CB-CG 4.38Å; F9-P143 HydrophobicContact CD1-CB 4.11Å; F9-P143 HydrophobicContact CD1-CG 4.38Å; F9-P143 HydrophobicContact CD2-CB 4.03Å; F9-P143 HydrophobicContact CD2-CG 3.55Å; F9-P143 HydrophobicContact CE1-CB 4.07Å; F9-P143 HydrophobicContact CE2-CB 3.98Å; F9-P143 HydrophobicContact CE2-CG 3.82Å; F9-P143 HydrophobicContact CG-CB 4.09Å; F9-P143 HydrophobicContact CG-CG 3.85Å; F9-P143 HydrophobicContact CZ-CB 4.01Å; F9-P143 HydrophobicContact CZ-CG 4.36Å; F9-T145 HydrophobicContact CE1-CG2 3.99Å; F9-T145 HydrophobicContact CZ-CG2 4.35Å; F9-Q170 HydrophobicContact CD1-CB 4.16Å; F9-L171 HydrophobicContact CE1-CB 4.11Å; F9-L171 HydrophobicContact CE1-CD1 4.49Å
10W98.6Very high94.9Very high20 Ų2073.6 Ų73.68%0.07634%0.344CS..Iπ-helixtrans-62.8-41.9177.8170.270.3000113.1G6 F7 L14 R15 E16 A17 P204 F206 Q227G6-W10 PolarHBondContact O-N 3.42Å; G6-W10 VanDerWaalsContact O-N 3.1Å; F7-W10 AromaticContact CD1-CE3 3.76Å; F7-W10 HydrophobicContact CD1-CE3 3.76Å; F7-W10 HydrophobicContact CD1-CZ3 4.02Å; F7-W10 HydrophobicContact CE1-CE3 4.2Å; F7-W10 HydrophobicContact CE1-CZ3 4.24Å; W10-L14 CarbonylContact O-C 3.6Å; W10-L14 VanDerWaalsContact O-C 3.31Å; W10-L14 WeakPolarHBondContact O-CB 3.49Å; W10-L14 PolarHBondContact O-N 2.84Å; W10-R15 PolarHBondContact O-N 3.41Å; W10-E16 HydrophobicContact CH2-CB 4.13Å; W10-E16 HydrophobicContact CH2-CG 4.14Å; W10-E16 HydrophobicContact CZ2-CB 3.89Å; W10-E16 HydrophobicContact CZ2-CG 4.32Å; W10-E16 HydrophobicContact CZ3-CG 4.28Å; W10-E16 PolarHBondContact O-N 3.1Å; W10-A17 PolarHBondContact NE1-O 3.28Å; W10-A17 VanDerWaalsContact NE1-O 3.09Å; W10-P204 HydrophobicContact CB-CB 4.13Å; W10-P204 HydrophobicContact CB-CG 3.6Å; W10-P204 HydrophobicContact CG-CB 4.22Å; W10-P204 HydrophobicContact CG-CG 4.12Å; W10-F206 AromaticContact CD1-CZ 3.91Å; W10-F206 AromaticContact NE1-CE1 3.83Å; W10-Q227 HydrophobicContact CD2-CB 4.25Å; W10-Q227 HydrophobicContact CD2-CG 4.3Å; W10-Q227 HydrophobicContact CE3-CG 4.25Å; W10-Q227 HydrophobicContact CH2-CB 4.26Å; W10-Q227 HydrophobicContact CH2-CG 4.07Å; W10-Q227 HydrophobicContact CZ2-CB 3.77Å; W10-Q227 HydrophobicContact CZ2-CG 4.09Å; W10-Q227 HydrophobicContact CZ3-CG 4.14Å
11R98.5Very high95Very high126 Ų12670 Ų7048%0.47533%0.328SS..Iπ-helixtrans-69.4-48.6178.9-75.2179.9-70.3170.80.2113.3F7 E8 F9 R15 E16F7-R11 WeakPolarHBondContact O-CB 3.33Å; F7-R11 VanDerWaalsContact O-CG 3.25Å; F7-R11 WeakPolarHBondContact O-CG 3.35Å; F7-R11 PolarHBondContact O-N 3.34Å; F7-R11 PolarHBondContact O-NE 2.84Å; E8-R11 PolarHBondContact O-N 3.43Å; F9-R11 PolarHBondContact O-N 3.41Å; R11-R15 WeakPolarHBondContact O-CA 3.39Å; R11-E16 HydrophobicContact CB-CG 4.14Å; R11-E16 HydrophobicContact CG-CG 3.76Å
12K97.7Very high96.9Very high126 Ų12658.5 Ų58.555%0.54827%0.271SS..Iπ-helixtrans-88.5-45.7-170.5-65.6170.5173.1169.70112.8L4 E8L4-K12 HydrophobicContact CD1-CB 3.79Å; L4-K12 HydrophobicContact CD1-CD 4.01Å; L4-K12 HydrophobicContact CD2-CD 4.27Å; E8-K12 VanDerWaalsContact O-CB 3.32Å; E8-K12 WeakPolarHBondContact O-CB 3.49Å; E8-K12 PolarHBondContact O-N 3.06Å; E8-K12 IonicContact OE1-NZ 3.45Å; E8-K12 PolarHBondContact OE1-NZ 3.1Å; E8-K12 IonicContact OE2-NZ 2.57Å
13T97.4Very high97.8Very high35 Ų3555.1 Ų55.122%0.21524%0.242CC..Iπ-helixtrans-86-50.4-177.5-48.90000111.2F9 R15 D100F9-T13 HydrophobicContact CD2-CG2 4.13Å; F9-T13 HydrophobicContact CE2-CG2 4Å; F9-T13 WeakPolarHBondContact O-CA 3.45Å; F9-T13 VanDerWaalsContact O-CB 3.26Å; F9-T13 WeakPolarHBondContact O-CB 3.04Å; F9-T13 PolarHBondContact O-N 2.91Å; T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 2.73Å; T13-D100 HydrophobicContact CG2-CB 3.84Å
14L98.4Very high98Very high1 Ų153.6 Ų53.61%0.00524%0.236CC..SBendtrans-85.54.8-179.2-50-178.1000113.5F9 W10 E16 A17 L43 P75 I77 L171F9-L14 HydrophobicContact CD1-CD1 4.4Å; F9-L14 HydrophobicContact CD2-CG 4.36Å; F9-L14 HydrophobicContact CE1-CD1 3.68Å; F9-L14 HydrophobicContact CE1-CG 4.19Å; F9-L14 HydrophobicContact CE2-CD1 4.17Å; F9-L14 HydrophobicContact CE2-CD2 3.79Å; F9-L14 HydrophobicContact CE2-CG 3.77Å; F9-L14 HydrophobicContact CZ-CD1 3.54Å; F9-L14 HydrophobicContact CZ-CD2 3.75Å; F9-L14 HydrophobicContact CZ-CG 3.67Å; F9-L14 PolarHBondContact O-N 3.38Å; F9-L14 VanDerWaalsContact O-N 3.11Å; W10-L14 CarbonylContact O-C 3.6Å; W10-L14 VanDerWaalsContact O-C 3.31Å; W10-L14 WeakPolarHBondContact O-CB 3.49Å; W10-L14 PolarHBondContact O-N 2.84Å; L14-E16 VanDerWaalsContact C-N 3.25Å; L14-E16 PolarHBondContact O-N 2.87Å; L14-A17 WeakPolarHBondContact O-CB 3.37Å; L14-A17 PolarHBondContact O-N 3.38Å; L14-L43 HydrophobicContact CD1-CD2 4.1Å; L14-L43 HydrophobicContact CD2-CD1 4.06Å; L14-P75 HydrophobicContact CD2-CB 3.97Å; L14-I77 HydrophobicContact CD1-CD1 4.34Å; L14-I77 HydrophobicContact CD2-CD1 4.24Å; L14-L171 HydrophobicContact CD1-CD1 3.71Å
15R98.1Very high97.8Very high182 Ų18254.9 Ų54.969%0.68725%0.245SC*.THydrogen-bonded Turntrans52.339.7174.4-52.3178.6-172.6159.63.4113.6W10 R11 T13 A17W10-R15 PolarHBondContact O-N 3.41Å; R11-R15 WeakPolarHBondContact O-CA 3.39Å; T13-R15 VanDerWaalsContact C-N 3.26Å; T13-R15 PolarHBondContact O-N 2.73Å; R15-A17 PolarHBondContact O-N 3.32Å
16E98.1Very high97.5Very high94 Ų9452.7 Ų52.744%0.43924%0.238SC..THydrogen-bonded Turntrans5727.2-176.5-60.9-170116.500114.6W10 R11 L14 R18W10-E16 HydrophobicContact CH2-CB 4.13Å; W10-E16 HydrophobicContact CH2-CG 4.14Å; W10-E16 HydrophobicContact CZ2-CB 3.89Å; W10-E16 HydrophobicContact CZ2-CG 4.32Å; W10-E16 HydrophobicContact CZ3-CG 4.28Å; W10-E16 PolarHBondContact O-N 3.1Å; R11-E16 HydrophobicContact CB-CG 4.14Å; R11-E16 HydrophobicContact CG-CG 3.76Å; L14-E16 VanDerWaalsContact C-N 3.25Å; L14-E16 PolarHBondContact O-N 2.87Å; E16-R18 WeakPolarHBondContact O-CG 3.34Å; E16-R18 PolarHBondContact O-N 3.48Å
17A98.3Very high97.4Very high1 Ų154.3 Ų54.31%0.00824%0.243CC..  trans-50.4126-177.200000112.7W10 L14 R15 Q42 L43W10-A17 PolarHBondContact NE1-O 3.28Å; W10-A17 VanDerWaalsContact NE1-O 3.09Å; L14-A17 WeakPolarHBondContact O-CB 3.37Å; L14-A17 PolarHBondContact O-N 3.38Å; R15-A17 PolarHBondContact O-N 3.32Å; A17-Q42 HydrophobicContact CB-CB 3.72Å; A17-L43 HydrophobicContact CB-CB 3.69Å; A17-L43 HydrophobicContact CB-CD2 4.4Å
18R98.4Very high97.2Very high134 Ų13451.5 Ų51.551%0.50623%0.231SC..  trans-109.2-30.9175.9-52.9-171-178.3-179.70.1112.1E16 I221 G228 V229E16-R18 WeakPolarHBondContact O-CG 3.34Å; E16-R18 PolarHBondContact O-N 3.48Å; R18-I221 HydrophobicContact CB-CD1 4.48Å; R18-G228 CarbonylContact O-C 2.94Å; R18-G228 WeakPolarHBondContact O-CA 3.21Å; R18-V229 PolarHBondContact O-N 2.87Å
19F98.8Very high97.1Very high44 Ų4447.8 Ų47.819%0.19321%0.213CC..EExtended strand (participates in β ladder)trans-100104.5-176.5-61.9-18.8000110.4Q42 L43 L214 V217 F242F19-Q42 HydrophobicContact CB-CG 4.27Å; F19-Q42 PolarHBondContact O-N 3Å; F19-L43 PolarHBondContact O-N 3.32Å; F19-L214 HydrophobicContact CE1-CD1 3.97Å; F19-L214 HydrophobicContact CE2-CD1 4.43Å; F19-L214 HydrophobicContact CZ-CD1 3.72Å; F19-V217 HydrophobicContact CD1-CG1 3.92Å; F19-V217 HydrophobicContact CE1-CG1 3.72Å; F19-F242 HydrophobicContact CB-CB 4.25Å; F19-F242 HydrophobicContact CB-CD1 3.53Å; F19-F242 HydrophobicContact CB-CD2 4.16Å; F19-F242 HydrophobicContact CB-CE1 3.79Å; F19-F242 HydrophobicContact CB-CE2 4.38Å; F19-F242 HydrophobicContact CB-CG 3.73Å; F19-F242 HydrophobicContact CB-CZ 4.22Å; F19-F242 AromaticContact CD1-CD1 3.82Å; F19-F242 HydrophobicContact CD1-CD1 3.82Å; F19-F242 HydrophobicContact CD1-CE1 4.25Å; F19-F242 HydrophobicContact CD2-CB 3.86Å; F19-F242 HydrophobicContact CD2-CD1 4.2Å; F19-F242 HydrophobicContact CD2-CG 4.24Å; F19-F242 HydrophobicContact CE2-CB 4.44Å; F19-F242 HydrophobicContact CG-CB 4.12Å; F19-F242 AromaticContact CG-CD1 3.59Å; F19-F242 HydrophobicContact CG-CD1 3.59Å; F19-F242 HydrophobicContact CG-CE1 4.19Å; F19-F242 AromaticContact CG-CG 3.97Å; F19-F242 HydrophobicContact CG-CG 3.97Å
20V98.8Very high97Very high0 Ų048.2 Ų48.20%022%0.216CC..EExtended strand (participates in β ladder)trans-118.9127.8-167.6-169.70000112L43 Y45 F206 V229 M230 S231 F242V20-L43 CarbonylContact C-O 3.47Å; V20-L43 VanDerWaalsContact CA-O 3.29Å; V20-L43 WeakPolarHBondContact CA-O 3.2Å; V20-L43 HydrophobicContact CG1-CB 4.29Å; V20-L43 HydrophobicContact CG1-CD2 4.08Å; V20-L43 HydrophobicContact CG1-CG 4.05Å; V20-L43 HydrophobicContact CG2-CB 4.3Å; V20-L43 HydrophobicContact CG2-CD2 4.21Å; V20-Y45 HydrophobicContact CG1-CD2 3.99Å; V20-Y45 HydrophobicContact CG1-CE2 3.72Å; V20-F206 HydrophobicContact CG2-CD2 4.02Å; V20-F206 HydrophobicContact CG2-CE2 3.83Å; V20-F206 HydrophobicContact CG2-CZ 4.12Å; V20-V229 PolarHBondContact N-O 2.86Å; V20-M230 HydrophobicContact CB-CB 4.05Å; V20-M230 HydrophobicContact CB-CG 4.32Å; V20-M230 HydrophobicContact CG1-CB 4.25Å; V20-M230 HydrophobicContact CG1-CE 3.66Å; V20-M230 HydrophobicContact CG1-CG 4.13Å; V20-M230 CarbonylContact O-C 3.57Å; V20-M230 VanDerWaalsContact O-CA 3.24Å; V20-M230 WeakPolarHBondContact O-CA 3.42Å; V20-S231 PolarHBondContact O-N 3.19Å; V20-F242 WeakPolarHBondContact O-CZ 3.47Å
21V98.7Very high96.8Very high0 Ų047.2 Ų47.20%021%0.212CC..EExtended strand (participates in β ladder)trans-87.5128.7171.2177.90000109.6M24 A41 L43 C44 Y45 F242V21-M24 HydrophobicContact CG1-CE 4.14Å; V21-A41 HydrophobicContact CG2-CB 3.57Å; V21-L43 PolarHBondContact N-O 2.91Å; V21-C44 HydrophobicContact CB-CB 4.3Å; V21-Y45 PolarHBondContact O-N 2.79Å; V21-F242 HydrophobicContact CG2-CE2 4.07Å
22A98.4Very high96.8Very high3 Ų341.2 Ų41.23%0.02519%0.189CC..PPolyproline II helixtrans-69.1151.6-177.500000113.8M24 M230 S231 A232A22-M24 HydrophobicContact CB-CG 4.13Å; A22-M24 HydrophobicContact CB-SD 4.44Å; A22-M24 PolarHBondContact O-N 3.35Å; A22-M230 VanDerWaalsContact CA-SD 3.57Å; A22-M230 HydrophobicContact CB-CG 3.64Å; A22-M230 HydrophobicContact CB-SD 3.65Å; A22-S231 WeakPolarHBondContact CB-O 3.42Å; A22-S231 PolarHBondContact N-O 3.12Å; A22-A232 HydrophobicContact CB-CB 3.58Å
23P98Very high96.8Very high18 Ų1835.5 Ų35.512%0.11716%0.164CC..PPolyproline II helixtrans-67.2120.4164.423.6-26.6000109.7Y45 T46 Q79 K147P23-Y45 HydrophobicContact CB-CD1 4.44Å; P23-Y45 HydrophobicContact CB-CG 4.45Å; P23-Y45 HydrophobicContact CG-CD1 4.04Å; P23-Y45 HydrophobicContact CG-CG 4.21Å; P23-T46 WeakPolarHBondContact CA-O 3.28Å; P23-T46 WeakPolarHBondContact CB-O 3.23Å; P23-Q79 HydrophobicContact CB-CB 4.17Å; P23-Q79 VanDerWaalsContact CB-OE1 3.31Å; P23-Q79 VanDerWaalsContact CG-NE2 3.32Å; P23-K147 HydrophobicContact CG-CD 3.82Å
24M95.9Very high96.8Very high17 Ų1734.2 Ų34.28%0.08416%0.156CC..  trans-134.3119.7-177.1-62.1179.7-73.900109.4V21 A22 D26 Q27 S28 A232 L236V21-M24 HydrophobicContact CG1-CE 4.14Å; A22-M24 HydrophobicContact CB-CG 4.13Å; A22-M24 HydrophobicContact CB-SD 4.44Å; A22-M24 PolarHBondContact O-N 3.35Å; M24-D26 PolarHBondContact O-N 2.92Å; M24-Q27 HydrophobicContact CB-CB 3.65Å; M24-Q27 CarbonylContact O-C 3.45Å; M24-Q27 PolarHBondContact O-N 2.88Å; M24-S28 PolarHBondContact N-OG 3.26Å; M24-S28 PolarHBondContact O-N 3.46Å; M24-S28 VanDerWaalsContact O-N 3.08Å; M24-S28 PolarHBondContact O-OG 3.44Å; M24-A232 HydrophobicContact CG-CB 4.41Å; M24-A232 VanDerWaalsContact SD-CA 3.54Å; M24-A232 HydrophobicContact SD-CB 3.72Å; M24-L236 HydrophobicContact CE-CD1 4.42Å; M24-L236 HydrophobicContact CE-CD2 3.76Å; M24-L236 HydrophobicContact CE-CG 3.93Å; M24-L236 HydrophobicContact SD-CD1 3.64Å; M24-L236 HydrophobicContact SD-CD2 4.1Å; M24-L236 HydrophobicContact SD-CG 3.75Å
25V92.2Very high96.8Very high76 Ų7634.2 Ų34.246%0.46116%0.156SC..THydrogen-bonded Turntrans-59.3128.6179.1177.70000109Q27 M48V25-Q27 PolarHBondContact O-N 3.5Å; V25-Q27 VanDerWaalsContact O-N 3.12Å; V25-M48 HydrophobicContact CG2-CB 3.92Å; V25-M48 HydrophobicContact CG2-CE 4.02Å
26D89.9Confident96.8Very high78 Ų7825.5 Ų25.542%0.41712%0.123SC..THydrogen-bonded Turntrans59.314.2-177.7-55.2-21.5000114.8M24 Y270M24-D26 PolarHBondContact O-N 2.92Å; D26-Y270 HydrophobicContact CB-CD1 3.6Å; D26-Y270 HydrophobicContact CB-CE1 3.45Å; D26-Y270 VanDerWaalsContact CB-CE1 3.45Å; D26-Y270 VanDerWaalsContact CG-CE1 3.49Å; D26-Y270 WeakPolarHBondContact O-CD1 3.31Å; D26-Y270 VanDerWaalsContact OD1-CE1 3.28Å; D26-Y270 WeakPolarHBondContact OD1-CE1 3.43Å; D26-Y270 PolarHBondContact OD1-OH 2.99Å
27Q95.2Very high96.8Very high42 Ų4223 Ų2320%0.19611%0.109CC..THydrogen-bonded Turntrans-1469.1-167.3-77179.5-9.600114.6M24 V25 L236 H274M24-Q27 HydrophobicContact CB-CB 3.65Å; M24-Q27 CarbonylContact O-C 3.45Å; M24-Q27 PolarHBondContact O-N 2.88Å; V25-Q27 PolarHBondContact O-N 3.5Å; V25-Q27 VanDerWaalsContact O-N 3.12Å; Q27-L236 HydrophobicContact CB-CD1 4.41Å; Q27-L236 HydrophobicContact CB-CD2 4.1Å; Q27-H274 VanDerWaalsContact CA-CE1 3.48Å; Q27-H274 WeakPolarHBondContact CA-CE1 3.45Å; Q27-H274 PolarHBondContact O-CE1 3.28Å
28S96.3Very high96.8Very high0 Ų027.5 Ų27.50%013%0.126CC..SBendtrans-139.238.1169.570.80000111.6M24 R33 Y45 T46 P47M24-S28 PolarHBondContact N-OG 3.26Å; M24-S28 PolarHBondContact O-N 3.46Å; M24-S28 VanDerWaalsContact O-N 3.08Å; M24-S28 PolarHBondContact O-OG 3.44Å; S28-R33 WeakPolarHBondContact O-CD 3.5Å; S28-R33 WeakPolarHBondContact O-CG 3.32Å; S28-R33 PolarHBondContact O-NH1 3.39Å; S28-Y45 PolarHBondContact OG-O 3.33Å; S28-Y45 VanDerWaalsContact OG-O 3.09Å; S28-T46 VanDerWaalsContact OG-C 3.24Å; S28-T46 PolarHBondContact OG-O 2.77Å; S28-P47 WeakPolarHBondContact O-CD 3.18Å
29E95.1Very high96.8Very high6 Ų621.3 Ų21.33%0.02810%0.103CC..  trans-65.6167.4170.581.1-69.5172.800112.1A31 W32 R33 Y256 Y270 H274E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.38Å; E29-W32 PolarHBondContact O-N 3.23Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-N 3.42Å; E29-Y256 PolarHBondContact OE1-OH 3.16Å; E29-Y270 HydrophobicContact CB-CD2 4.1Å; E29-Y270 HydrophobicContact CB-CE2 4.37Å; E29-Y270 HydrophobicContact CG-CD2 3.98Å; E29-H274 IonicContact OE1-CD2 2.7Å; E29-H274 PolarHBondContact OE1-CD2 3.48Å; E29-H274 IonicContact OE1-NE2 3.59Å; E29-H274 PolarHBondContact OE1-NE2 3.04Å; E29-H274 IonicContact OE2-CD2 3.85Å; E29-H274 IonicContact OE2-CE1 3.15Å; E29-H274 IonicContact OE2-NE2 2.96Å; E29-H274 PolarHBondContact OE2-NE2 3.48Å
30L95.3Very high96.8Very high9 Ų920.7 Ų20.75%0.04711%0.109CC..Hα-helixtrans-52.4-46.8-171.817763.1000112.8W32 R33 L34 Y66 C70 D73 Y263L30-W32 VanDerWaalsContact C-N 3.32Å; L30-W32 PolarHBondContact O-N 2.84Å; L30-R33 PolarHBondContact O-N 2.95Å; L30-R33 VanDerWaalsContact O-N 3.13Å; L30-L34 HydrophobicContact CD1-CD1 3.85Å; L30-L34 HydrophobicContact CD1-CD2 4.32Å; L30-L34 HydrophobicContact CD1-CG 3.84Å; L30-L34 HydrophobicContact CD2-CD1 4.48Å; L30-L34 HydrophobicContact CG-CD1 3.82Å; L30-L34 HydrophobicContact CG-CG 4.22Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.1Å; L30-Y66 HydrophobicContact CB-CD2 4.15Å; L30-Y66 HydrophobicContact CB-CE1 4.4Å; L30-Y66 HydrophobicContact CB-CE2 3.39Å; L30-Y66 HydrophobicContact CD2-CD1 4.19Å; L30-Y66 HydrophobicContact CD2-CD2 4.21Å; L30-Y66 HydrophobicContact CD2-CE1 4.04Å; L30-Y66 HydrophobicContact CD2-CE2 4.09Å; L30-Y66 HydrophobicContact CD2-CG 4.29Å; L30-Y66 HydrophobicContact CG-CE2 4.37Å; L30-C70 HydrophobicContact CD1-CB 3.99Å; L30-C70 HydrophobicContact CD2-CB 4.28Å; L30-D73 HydrophobicContact CD1-CB 3.64Å; L30-D73 WeakPolarHBondContact CD1-OD2 3.1Å; L30-Y263 HydrophobicContact CD2-CD1 4.49Å
31A96Very high96.8Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-59.4-40.5-179.600000112.9E29 L35 Y256 V259 V260E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.38Å; A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 PolarHBondContact O-N 2.88Å; A31-Y256 HydrophobicContact CB-CE2 3.83Å; A31-V259 HydrophobicContact CB-CG1 3.94Å; A31-V259 WeakPolarHBondContact O-CG1 3.48Å; A31-V260 HydrophobicContact CB-CG2 3.79Å
32W97.8Very high96.8Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-71.2-35.1176.4-166.6-94.5000113E29 L30 L35 S36 N235 L236 P239 Y256 H274 L278E29-W32 PolarHBondContact O-N 3.23Å; L30-W32 VanDerWaalsContact C-N 3.32Å; L30-W32 PolarHBondContact O-N 2.84Å; W32-L35 HydrophobicContact CD2-CD2 4.38Å; W32-L35 HydrophobicContact CE3-CD2 3.89Å; W32-L35 HydrophobicContact CH2-CD2 4.04Å; W32-L35 HydrophobicContact CZ2-CD2 4.47Å; W32-L35 HydrophobicContact CZ3-CD2 3.7Å; W32-S36 WeakPolarHBondContact O-CB 3.34Å; W32-S36 PolarHBondContact O-N 2.87Å; W32-S36 PolarHBondContact O-OG 2.62Å; W32-N235 PolarHBondContact NE1-OD1 3.5Å; W32-L236 HydrophobicContact CZ2-CD2 4.1Å; W32-P239 HydrophobicContact CH2-CG 3.67Å; W32-P239 HydrophobicContact CZ2-CG 3.77Å; W32-Y256 HydrophobicContact CB-CE2 4.41Å; W32-Y256 AromaticContact CE3-CD2 3.72Å; W32-Y256 HydrophobicContact CE3-CD2 3.72Å; W32-Y256 AromaticContact CE3-CE2 3.74Å; W32-Y256 HydrophobicContact CE3-CE2 3.74Å; W32-Y256 HydrophobicContact CE3-CG 4.17Å; W32-Y256 HydrophobicContact CZ3-CD1 4.42Å; W32-Y256 HydrophobicContact CZ3-CD2 4.15Å; W32-Y256 HydrophobicContact CZ3-CE2 4.47Å; W32-Y256 HydrophobicContact CZ3-CG 4.14Å; W32-H274 AromaticContact CD2-CE1 3.33Å; W32-H274 AromaticContact CD2-ND1 3.57Å; W32-H274 AromaticContact CD2-NE2 3.86Å; W32-H274 AromaticContact CE2-CE1 3.97Å; W32-H274 HydrophobicContact CE3-CB 3.98Å; W32-H274 AromaticContact CE3-CD2 3.78Å; W32-H274 AromaticContact CE3-CE1 3.49Å; W32-H274 VanDerWaalsContact CE3-CE1 3.49Å; W32-H274 AromaticContact CE3-CG 3.48Å; W32-H274 VanDerWaalsContact CE3-CG 3.48Å; W32-H274 AromaticContact CE3-ND1 3.38Å; W32-H274 AromaticContact CE3-NE2 3.77Å; W32-H274 AromaticContact CG-CE1 3.5Å; W32-H274 AromaticContact CG-NE2 3.85Å; W32-H274 HydrophobicContact CH2-CB 4.49Å; W32-H274 HydrophobicContact CZ3-CB 3.71Å; W32-H274 AromaticContact CZ3-CG 3.7Å; W32-H274 AromaticContact CZ3-ND1 3.65Å; W32-L278 HydrophobicContact CH2-CD1 4.11Å; W32-L278 HydrophobicContact CH2-CD2 4.04Å; W32-L278 HydrophobicContact CH2-CG 4.04Å; W32-L278 HydrophobicContact CZ3-CD1 4.16Å
33R97.8Very high96.8Very high5 Ų524.7 Ų24.72%0.01913%0.129CC..Hα-helixtrans-66.6-45175.1-62.3-172.8-50.1-106.810.9111S28 E29 L30 S36 R37 C44 Y45 D73S28-R33 WeakPolarHBondContact O-CD 3.5Å; S28-R33 WeakPolarHBondContact O-CG 3.32Å; S28-R33 PolarHBondContact O-NH1 3.39Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-N 3.42Å; L30-R33 PolarHBondContact O-N 2.95Å; L30-R33 VanDerWaalsContact O-N 3.13Å; R33-S36 PolarHBondContact O-N 3Å; R33-R37 VanDerWaalsContact O-CG 3.32Å; R33-R37 WeakPolarHBondContact O-CG 3.18Å; R33-R37 PolarHBondContact O-N 2.89Å; R33-C44 HydrophobicContact CB-CB 3.93Å; R33-C44 HydrophobicContact CG-CB 3.81Å; R33-Y45 WeakPolarHBondContact CD-O 3.34Å; R33-D73 WeakPolarHBondContact CB-OD1 3.39Å; R33-D73 IonicContact CZ-OD2 3.95Å; R33-D73 IonicContact NE-OD1 3.78Å; R33-D73 IonicContact NE-OD2 3.93Å; R33-D73 PolarHBondContact NE-OD2 3.39Å; R33-D73 IonicContact NH2-OD2 2.68Å; R33-D73 PolarHBondContact NH2-OD2 3.24Å
34L97.8Very high96.8Very high9 Ų923.8 Ų23.85%0.04712%0.123CC..Hα-helixtrans-63.7-43.6176.7-68.8176000112.2L30 S36 R37 R38 E72 D73 V259 Y263L30-L34 HydrophobicContact CD1-CD1 3.85Å; L30-L34 HydrophobicContact CD1-CD2 4.32Å; L30-L34 HydrophobicContact CD1-CG 3.84Å; L30-L34 HydrophobicContact CD2-CD1 4.48Å; L30-L34 HydrophobicContact CG-CD1 3.82Å; L30-L34 HydrophobicContact CG-CG 4.22Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.1Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.28Å; L34-R37 WeakPolarHBondContact O-CB 2.78Å; L34-R37 PolarHBondContact O-N 3.39Å; L34-R37 VanDerWaalsContact O-N 3.16Å; L34-R38 PolarHBondContact O-N 3.24Å; L34-E72 HydrophobicContact CD2-CB 3.9Å; L34-D73 HydrophobicContact CD2-CB 4.08Å; L34-V259 HydrophobicContact CB-CG1 3.88Å; L34-V259 HydrophobicContact CD1-CG1 4.24Å; L34-Y263 HydrophobicContact CD1-CD1 3.54Å; L34-Y263 HydrophobicContact CD1-CD2 3.58Å; L34-Y263 HydrophobicContact CD1-CE1 3.64Å; L34-Y263 HydrophobicContact CD1-CE2 3.75Å; L34-Y263 HydrophobicContact CD1-CG 3.51Å
35L98.3Very high96.9Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-55.4-48.8170.3178.173.5000111.3A31 W32 R37 R38 H39 P239 E255 Y256A31-L35 WeakPolarHBondContact O-CB 3.46Å; A31-L35 PolarHBondContact O-N 2.88Å; W32-L35 HydrophobicContact CD2-CD2 4.38Å; W32-L35 HydrophobicContact CE3-CD2 3.89Å; W32-L35 HydrophobicContact CH2-CD2 4.04Å; W32-L35 HydrophobicContact CZ2-CD2 4.47Å; W32-L35 HydrophobicContact CZ3-CD2 3.7Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.28Å; L35-R38 WeakPolarHBondContact O-CB 3.17Å; L35-R38 PolarHBondContact O-N 2.75Å; L35-H39 PolarHBondContact O-CD2 3.16Å; L35-H39 VanDerWaalsContact O-CD2 3.28Å; L35-H39 PolarHBondContact O-N 3.31Å; L35-P239 HydrophobicContact CD2-CB 3.89Å; L35-P239 HydrophobicContact CD2-CG 3.71Å; L35-P239 HydrophobicContact CG-CB 4.09Å; L35-P239 HydrophobicContact CG-CG 4.43Å; L35-E255 HydrophobicContact CD1-CB 3.78Å; L35-Y256 HydrophobicContact CD2-CD2 4.05Å; L35-Y256 HydrophobicContact CD2-CG 4.22Å
36S98.4Very high97.2Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-64.5-30.4179.4-58.80000112.5W32 R33 L34 H39 G40 A41 N235W32-S36 WeakPolarHBondContact O-CB 3.34Å; W32-S36 PolarHBondContact O-N 2.87Å; W32-S36 PolarHBondContact O-OG 2.62Å; R33-S36 PolarHBondContact O-N 3Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.28Å; S36-H39 CarbonylContact O-C 3.07Å; S36-H39 WeakPolarHBondContact O-CA 3.19Å; S36-H39 PolarHBondContact O-N 3.1Å; S36-G40 PolarHBondContact O-N 3.39Å; S36-A41 VanDerWaalsContact C-CB 3.49Å; S36-A41 WeakPolarHBondContact O-CB 3.32Å; S36-A41 PolarHBondContact O-N 2.75Å; S36-N235 PolarHBondContact OG-ND2 3.12Å; S36-N235 PolarHBondContact OG-OD1 3.29Å
37R98.3Very high97.5Very high40 Ų4016 Ų1615%0.1518%0.079CC..Hα-helixtrans-71.9-39.4174.7-74.4179.3-175.1-70.72.6112.9R33 L34 L35 H39 G40 A41 Q42 E72 D73 P75R33-R37 VanDerWaalsContact O-CG 3.32Å; R33-R37 WeakPolarHBondContact O-CG 3.18Å; R33-R37 PolarHBondContact O-N 2.89Å; L34-R37 WeakPolarHBondContact O-CB 2.78Å; L34-R37 PolarHBondContact O-N 3.39Å; L34-R37 VanDerWaalsContact O-N 3.16Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.28Å; R37-H39 PolarHBondContact O-N 3.18Å; R37-G40 PolarHBondContact O-N 3.49Å; R37-G40 VanDerWaalsContact O-N 3.14Å; R37-A41 HydrophobicContact CG-CB 4.48Å; R37-Q42 PolarHBondContact NH1-O 3.33Å; R37-E72 WeakPolarHBondContact CD-O 3.38Å; R37-D73 VanDerWaalsContact CZ-O 3.29Å; R37-D73 IonicContact CZ-OD1 2.74Å; R37-D73 PolarHBondContact NE-O 2.99Å; R37-D73 IonicContact NE-OD1 3.59Å; R37-D73 PolarHBondContact NE-OD1 3.22Å; R37-D73 PolarHBondContact NH2-O 3.49Å; R37-D73 IonicContact NH2-OD1 3.98Å; R37-D73 PolarHBondContact NH2-OD1 3.24Å; R37-P75 PolarHBondContact NH2-O 3.21Å
38R97.9Very high97.6Very high96 Ų9615 Ų1536%0.3628%0.075SC..Hα-helixtrans-53.1-33.7168-69.2-178.7-178.7-170.71.3110.5L34 L35 E258 V259L34-R38 PolarHBondContact O-N 3.24Å; L35-R38 WeakPolarHBondContact O-CB 3.17Å; L35-R38 PolarHBondContact O-N 2.75Å; R38-E258 IonicContact NH1-OE2 2.82Å; R38-E258 PolarHBondContact NH1-OE2 2.99Å; R38-V259 VanDerWaalsContact CZ-CG2 3.48Å
39H98.3Very high97.7Very high5 Ų515 Ų152%0.0238%0.075CC..THydrogen-bonded Turntrans-103.841.7176.5-54.7-53.3000116.2L35 S36 R37 A41 A240 E243 M252 E255L35-H39 PolarHBondContact O-CD2 3.16Å; L35-H39 VanDerWaalsContact O-CD2 3.28Å; L35-H39 PolarHBondContact O-N 3.31Å; S36-H39 CarbonylContact O-C 3.07Å; S36-H39 WeakPolarHBondContact O-CA 3.19Å; S36-H39 PolarHBondContact O-N 3.1Å; R37-H39 PolarHBondContact O-N 3.18Å; H39-A41 PolarHBondContact O-N 3.05Å; H39-A240 HydrophobicContact CB-CB 4.45Å; H39-E243 VanDerWaalsContact CA-OE1 3.31Å; H39-E243 WeakPolarHBondContact CA-OE1 3.39Å; H39-E243 HydrophobicContact CB-CG 4.2Å; H39-E243 IonicContact CG-OE1 3.1Å; H39-E243 IonicContact ND1-OE1 3.48Å; H39-E243 PolarHBondContact ND1-OE1 3.04Å; H39-E243 IonicContact ND1-OE2 2.98Å; H39-M252 WeakPolarHBondContact NE2-CE 3.25Å; H39-E255 IonicContact CE1-OE1 2.75Å; H39-E255 IonicContact CE1-OE2 3.21Å; H39-E255 IonicContact NE2-OE1 2.57Å; H39-E255 IonicContact NE2-OE2 2.76Å
40G97.9Very high97.8Very high31 Ų3117.4 Ų17.432%0.329%0.086SC..THydrogen-bonded Turntrans82.43.2164.300000116.5S36 R37 Q42S36-G40 PolarHBondContact O-N 3.39Å; R37-G40 PolarHBondContact O-N 3.49Å; R37-G40 VanDerWaalsContact O-N 3.14Å; G40-Q42 PolarHBondContact O-N 2.88Å
41A98.6Very high97.9Very high7 Ų717 Ų176%0.0588%0.084CC..  trans-63.2123.9167.800000110.7V21 S36 R37 H39 F242V21-A41 HydrophobicContact CG2-CB 3.57Å; S36-A41 VanDerWaalsContact C-CB 3.49Å; S36-A41 WeakPolarHBondContact O-CB 3.32Å; S36-A41 PolarHBondContact O-N 2.75Å; R37-A41 HydrophobicContact CG-CB 4.48Å; H39-A41 PolarHBondContact O-N 3.05Å; A41-F242 HydrophobicContact CB-CD2 4.09Å; A41-F242 HydrophobicContact CB-CE2 4.2Å
42Q98.7Very high98.1Very high79 Ų7920.8 Ų20.837%0.36910%0.102SC..  trans-91.9-33.5-176.7-68.2162.8-15.900111.3A17 F19 R37 G40 P75A17-Q42 HydrophobicContact CB-CB 3.72Å; F19-Q42 HydrophobicContact CB-CG 4.27Å; F19-Q42 PolarHBondContact O-N 3Å; R37-Q42 PolarHBondContact NH1-O 3.33Å; G40-Q42 PolarHBondContact O-N 2.88Å; Q42-P75 WeakPolarHBondContact O-CD 3.44Å
43L98.8Very high98Very high0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-136.2132.7-179.3172.862.5000109.9L14 A17 F19 V20 V21 Y45 P75 I77 F206L14-L43 HydrophobicContact CD1-CD2 4.1Å; L14-L43 HydrophobicContact CD2-CD1 4.06Å; A17-L43 HydrophobicContact CB-CB 3.69Å; A17-L43 HydrophobicContact CB-CD2 4.4Å; F19-L43 PolarHBondContact O-N 3.32Å; V20-L43 CarbonylContact C-O 3.47Å; V20-L43 VanDerWaalsContact CA-O 3.29Å; V20-L43 WeakPolarHBondContact CA-O 3.2Å; V20-L43 HydrophobicContact CG1-CB 4.29Å; V20-L43 HydrophobicContact CG1-CD2 4.08Å; V20-L43 HydrophobicContact CG1-CG 4.05Å; V20-L43 HydrophobicContact CG2-CB 4.3Å; V20-L43 HydrophobicContact CG2-CD2 4.21Å; V21-L43 PolarHBondContact N-O 2.91Å; L43-Y45 HydrophobicContact CD2-CE2 4.17Å; L43-Y45 HydrophobicContact CG-CE2 4.23Å; L43-P75 HydrophobicContact CD1-CB 4.18Å; L43-P75 HydrophobicContact CD1-CG 4.17Å; L43-P75 VanDerWaalsContact CD1-O 3.23Å; L43-P75 WeakPolarHBondContact CD1-O 3.28Å; L43-I77 HydrophobicContact CD1-CD1 3.99Å; L43-I77 HydrophobicContact CD1-CG1 3.98Å; L43-I77 HydrophobicContact CD2-CD1 4.11Å; L43-F206 HydrophobicContact CD2-CE2 3.53Å; L43-F206 HydrophobicContact CD2-CZ 4.03Å
44C98.6Very high98Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-123156.7176.9-60.90000110.6V21 R33 I77V21-C44 HydrophobicContact CB-CB 4.3Å; R33-C44 HydrophobicContact CB-CB 3.93Å; R33-C44 HydrophobicContact CG-CB 3.81Å; C44-I77 PolarHBondContact O-N 2.82Å; C44-I77 VanDerWaalsContact O-N 3.11Å
45Y98.6Very high98Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-117.6144.8174.4-77.3-117.9000110.3V20 V21 P23 S28 R33 L43 I77 Q79 D103 M230V20-Y45 HydrophobicContact CG1-CD2 3.99Å; V20-Y45 HydrophobicContact CG1-CE2 3.72Å; V21-Y45 PolarHBondContact O-N 2.79Å; P23-Y45 HydrophobicContact CB-CD1 4.44Å; P23-Y45 HydrophobicContact CB-CG 4.45Å; P23-Y45 HydrophobicContact CG-CD1 4.04Å; P23-Y45 HydrophobicContact CG-CG 4.21Å; S28-Y45 PolarHBondContact OG-O 3.33Å; S28-Y45 VanDerWaalsContact OG-O 3.09Å; R33-Y45 WeakPolarHBondContact CD-O 3.34Å; L43-Y45 HydrophobicContact CD2-CE2 4.17Å; L43-Y45 HydrophobicContact CG-CE2 4.23Å; Y45-I77 VanDerWaalsContact CA-O 3.28Å; Y45-I77 WeakPolarHBondContact CA-O 3.29Å; Y45-I77 HydrophobicContact CD1-CB 3.84Å; Y45-I77 HydrophobicContact CD1-CG2 3.68Å; Y45-I77 HydrophobicContact CD2-CB 4.32Å; Y45-I77 HydrophobicContact CE1-CB 3.78Å; Y45-I77 HydrophobicContact CE1-CD1 4.28Å; Y45-I77 HydrophobicContact CE1-CG2 3.39Å; Y45-I77 HydrophobicContact CE2-CB 4.24Å; Y45-I77 HydrophobicContact CE2-CD1 4.02Å; Y45-I77 HydrophobicContact CG-CB 4.12Å; Y45-I77 HydrophobicContact CG-CG2 4.45Å; Y45-Q79 HydrophobicContact CD1-CB 4.48Å; Y45-D103 HydrophobicContact CD1-CB 4.3Å; Y45-D103 HydrophobicContact CE1-CB 3.85Å; Y45-M230 HydrophobicContact CD2-CE 3.75Å; Y45-M230 HydrophobicContact CE1-CE 4.35Å; Y45-M230 HydrophobicContact CE2-CE 3.44Å; Y45-M230 VanDerWaalsContact CE2-CE 3.44Å; Y45-M230 HydrophobicContact CG-CE 4.36Å
46T97.5Very high98Very high0 Ų032 Ų320%015%0.151CC..  trans-60166.7170.767.20000111.4P23 S28 L65 L76 I77 T78 Q79P23-T46 WeakPolarHBondContact CA-O 3.28Å; P23-T46 WeakPolarHBondContact CB-O 3.23Å; S28-T46 VanDerWaalsContact OG-C 3.24Å; S28-T46 PolarHBondContact OG-O 2.77Å; T46-L65 HydrophobicContact CG2-CD1 4.04Å; T46-L76 HydrophobicContact CG2-CD1 4.08Å; T46-L76 HydrophobicContact CG2-CD2 4.23Å; T46-L76 HydrophobicContact CG2-CG 4.29Å; T46-I77 PolarHBondContact N-O 3.47Å; T46-T78 HydrophobicContact CG2-CG2 4.23Å; T46-T78 WeakPolarHBondContact OG1-CA 3.49Å; T46-Q79 PolarHBondContact OG1-N 3.07Å
47P96.3Very high97.9Very high7 Ų735 Ų355%0.04517%0.167CC..  trans-55.8156.1160.7-21.535.7000109.9S28 L49S28-P47 WeakPolarHBondContact O-CD 3.18Å; P47-L49 HydrophobicContact CB-CD2 4.46Å; P47-L49 WeakPolarHBondContact O-CD2 3.27Å; P47-L49 WeakPolarHBondContact O-CG 3.27Å; P47-L49 PolarHBondContact O-N 3.39Å; P47-L49 VanDerWaalsContact O-N 3.09Å
48M97.4Very high97.6Very high21 Ų2135.7 Ų35.710%0.10318%0.181CC..  trans-69.3106.7176.3-178.5-16674.500109.9V25 Q79 C81 N105 C108 Y118V25-M48 HydrophobicContact CG2-CB 3.92Å; V25-M48 HydrophobicContact CG2-CE 4.02Å; M48-Q79 HydrophobicContact CG-CG 4.48Å; M48-C81 HydrophobicContact CE-CB 4.29Å; M48-C81 HydrophobicContact CG-CB 3.97Å; M48-C81 HydrophobicContact SD-CB 3.84Å; M48-N105 HydrophobicContact CG-CB 4.07Å; M48-N105 HydrophobicContact SD-CB 4.04Å; M48-N105 PolarHBondContact SD-ND2 3.29Å; M48-C108 HydrophobicContact SD-CB 3.94Å; M48-Y118 HydrophobicContact CE-CE2 3.97Å
49L97.4Very high97.3Very high0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-86.7142.1-176.6-52.2-171.1000111.4P47 A51 F54 Y60 N64 L65 T78 Q79 F80 C81P47-L49 HydrophobicContact CB-CD2 4.46Å; P47-L49 WeakPolarHBondContact O-CD2 3.27Å; P47-L49 WeakPolarHBondContact O-CG 3.27Å; P47-L49 PolarHBondContact O-N 3.39Å; P47-L49 VanDerWaalsContact O-N 3.09Å; L49-A51 PolarHBondContact O-N 3.45Å; L49-F54 HydrophobicContact CD1-CD2 3.93Å; L49-F54 HydrophobicContact CD1-CE2 3.76Å; L49-Y60 WeakPolarHBondContact CA-OH 3.49Å; L49-N64 HydrophobicContact CD2-CB 3.67Å; L49-L65 HydrophobicContact CD1-CB 4.45Å; L49-T78 HydrophobicContact CD1-CG2 3.93Å; L49-Q79 PolarHBondContact N-O 3.15Å; L49-F80 HydrophobicContact CB-CD1 3.7Å; L49-F80 HydrophobicContact CB-CE1 3.69Å; L49-F80 HydrophobicContact CD1-CE1 4.12Å; L49-F80 HydrophobicContact CD1-CZ 4.38Å; L49-F80 HydrophobicContact CG-CE1 4.49Å; L49-F80 CarbonylContact O-C 3.58Å; L49-F80 VanDerWaalsContact O-CA 3.26Å; L49-F80 WeakPolarHBondContact O-CA 3.39Å; L49-C81 PolarHBondContact O-N 2.89Å
50H98.1Very high97.1Very high56 Ų5638.2 Ų38.226%0.25920%0.199SC..EExtended strand (participates in β ladder)trans-87.8109.6178.3-168.5-39.2000110.8Q52 V53 F54 Y60 Y118H50-Q52 PolarHBondContact ND1-N 2.84Å; H50-Q52 PolarHBondContact O-N 2.93Å; H50-V53 HydrophobicContact CB-CB 4.2Å; H50-V53 HydrophobicContact CB-CG2 3.94Å; H50-V53 PolarHBondContact O-N 3.27Å; H50-F54 PolarHBondContact O-N 2.87Å; H50-Y60 PolarHBondContact N-OH 3.31Å; H50-Y60 VanDerWaalsContact N-OH 3.08Å; H50-Y118 AromaticContact NE2-CE1 3.85Å
51A98.4Very high96.8Very high0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-53.1-49.8-17200000113.6L49 V53 F54 V55 F80 C81 A82 V87 A91L49-A51 PolarHBondContact O-N 3.45Å; A51-V53 VanDerWaalsContact C-N 3.27Å; A51-V53 PolarHBondContact O-N 3.1Å; A51-F54 CarbonylContact O-C 3.58Å; A51-F54 WeakPolarHBondContact O-CA 3.12Å; A51-F54 WeakPolarHBondContact O-CB 3.06Å; A51-F54 PolarHBondContact O-N 3.24Å; A51-F54 VanDerWaalsContact O-N 3.1Å; A51-V55 WeakPolarHBondContact O-CG2 3.19Å; A51-V55 PolarHBondContact O-N 2.97Å; A51-F80 HydrophobicContact CB-CB 4.46Å; A51-F80 HydrophobicContact CB-CD1 4.13Å; A51-C81 WeakPolarHBondContact CB-O 3.37Å; A51-C81 PolarHBondContact N-O 3.11Å; A51-A82 HydrophobicContact CB-CB 3.74Å; A51-V87 HydrophobicContact CB-CG1 4.16Å; A51-A91 HydrophobicContact CB-CB 3.65Å
52Q98.1Very high96.3Very high81 Ų8144.8 Ų44.838%0.37922%0.216SC..Hα-helixtrans-58.8-33.7177.7-174.661.788.100114.5H50 R56 V87H50-Q52 PolarHBondContact ND1-N 2.84Å; H50-Q52 PolarHBondContact O-N 2.93Å; Q52-R56 WeakPolarHBondContact O-CB 3.24Å; Q52-R56 PolarHBondContact O-N 3.46Å; Q52-V87 HydrophobicContact CB-CG1 3.95Å
53V97.6Very high95.7Very high34 Ų3447.1 Ų47.121%0.20623%0.226CC..Hα-helixtrans-76.6-42.9175.6-173.80000109.3H50 A51 V55 R56 D57 Y60H50-V53 HydrophobicContact CB-CB 4.2Å; H50-V53 HydrophobicContact CB-CG2 3.94Å; H50-V53 PolarHBondContact O-N 3.27Å; A51-V53 VanDerWaalsContact C-N 3.27Å; A51-V53 PolarHBondContact O-N 3.1Å; V53-V55 VanDerWaalsContact C-N 3.34Å; V53-V55 PolarHBondContact O-N 3.26Å; V53-R56 PolarHBondContact O-N 2.97Å; V53-R56 VanDerWaalsContact O-N 3.16Å; V53-D57 HydrophobicContact CG1-CB 4.27Å; V53-D57 WeakPolarHBondContact O-CB 3.35Å; V53-D57 PolarHBondContact O-N 3.44Å; V53-Y60 HydrophobicContact CB-CD1 4.04Å; V53-Y60 HydrophobicContact CB-CE1 4.12Å; V53-Y60 HydrophobicContact CB-CG 4.44Å; V53-Y60 HydrophobicContact CG1-CD1 3.66Å; V53-Y60 HydrophobicContact CG1-CD2 4.01Å; V53-Y60 HydrophobicContact CG1-CE1 4.13Å; V53-Y60 HydrophobicContact CG1-CE2 4.48Å; V53-Y60 HydrophobicContact CG1-CG 3.58Å
54F97.3Very high95.1Very high2 Ų248 Ų481%0.00923%0.231CC..Hα-helixtrans-56.9-41.8176.1-161.6-92.3000112.8L49 H50 A51 Y60 R61 L65 F80 A91 L94 A95L49-F54 HydrophobicContact CD1-CD2 3.93Å; L49-F54 HydrophobicContact CD1-CE2 3.76Å; H50-F54 PolarHBondContact O-N 2.87Å; A51-F54 CarbonylContact O-C 3.58Å; A51-F54 WeakPolarHBondContact O-CA 3.12Å; A51-F54 WeakPolarHBondContact O-CB 3.06Å; A51-F54 PolarHBondContact O-N 3.24Å; A51-F54 VanDerWaalsContact O-N 3.1Å; F54-Y60 HydrophobicContact CB-CD1 4.27Å; F54-Y60 HydrophobicContact CB-CE1 4.19Å; F54-Y60 HydrophobicContact CD2-CD1 4.23Å; F54-Y60 HydrophobicContact CD2-CE1 4.18Å; F54-R61 HydrophobicContact CD1-CG 3.83Å; F54-R61 HydrophobicContact CD2-CB 4.29Å; F54-R61 HydrophobicContact CD2-CG 3.68Å; F54-R61 VanDerWaalsContact CE1-CD 3.49Å; F54-R61 HydrophobicContact CE1-CG 3.82Å; F54-R61 HydrophobicContact CE2-CB 3.9Å; F54-R61 HydrophobicContact CE2-CG 3.67Å; F54-R61 HydrophobicContact CG-CG 3.75Å; F54-R61 HydrophobicContact CZ-CB 4.07Å; F54-R61 HydrophobicContact CZ-CG 3.73Å; F54-R61 WeakPolarHBondContact O-CD 3.4Å; F54-R61 WeakPolarHBondContact O-CG 3.36Å; F54-R61 PolarHBondContact O-NH1 2.82Å; F54-L65 HydrophobicContact CE2-CB 3.94Å; F54-L65 HydrophobicContact CE2-CD2 4.25Å; F54-L65 HydrophobicContact CZ-CB 4.15Å; F54-L65 HydrophobicContact CZ-CD2 3.72Å; F54-F80 HydrophobicContact CB-CE1 3.84Å; F54-F80 AromaticContact CD1-CE1 3.78Å; F54-F80 HydrophobicContact CD1-CE1 3.78Å; F54-F80 AromaticContact CD1-CZ 3.81Å; F54-F80 HydrophobicContact CD1-CZ 3.81Å; F54-F80 AromaticContact CD2-CE1 3.87Å; F54-F80 HydrophobicContact CD2-CE1 3.87Å; F54-F80 HydrophobicContact CD2-CZ 4.29Å; F54-F80 HydrophobicContact CE1-CE1 4.29Å; F54-F80 AromaticContact CE1-CZ 3.9Å; F54-F80 HydrophobicContact CE1-CZ 3.9Å; F54-F80 HydrophobicContact CE2-CE1 4.38Å; F54-F80 HydrophobicContact CE2-CZ 4.39Å; F54-F80 AromaticContact CG-CE1 3.56Å; F54-F80 HydrophobicContact CG-CE1 3.56Å; F54-F80 HydrophobicContact CG-CZ 4.02Å; F54-F80 HydrophobicContact CZ-CZ 4.21Å; F54-A91 HydrophobicContact CB-CB 4.41Å; F54-A91 HydrophobicContact CD1-CB 4.12Å; F54-L94 HydrophobicContact CD1-CB 4.33Å; F54-L94 HydrophobicContact CE1-CB 3.78Å; F54-A95 HydrophobicContact CE1-CB 4.11Å; F54-A95 HydrophobicContact CZ-CB 4.19Å
55V97.8Very high94.4Very high35 Ų3548.8 Ų48.821%0.21224%0.235CC..Hα-helixtrans-64.6-48.6173.7174.20000111.4A51 V53 R61 Q90 A91A51-V55 WeakPolarHBondContact O-CG2 3.19Å; A51-V55 PolarHBondContact O-N 2.97Å; V53-V55 VanDerWaalsContact C-N 3.34Å; V53-V55 PolarHBondContact O-N 3.26Å; V55-R61 PolarHBondContact O-NH1 3.17Å; V55-Q90 HydrophobicContact CG1-CB 4.49Å; V55-Q90 HydrophobicContact CG2-CB 3.69Å; V55-A91 HydrophobicContact CG2-CB 3.97Å
56R97.4Very high92.8Very high178 Ų17850.5 Ų50.567%0.67224%0.242SC*.Hα-helixtrans-78.2-32.8-169.5-174.8177.162.9-135.2-6.1114.6Q52 V53Q52-R56 WeakPolarHBondContact O-CB 3.24Å; Q52-R56 PolarHBondContact O-N 3.46Å; V53-R56 PolarHBondContact O-N 2.97Å; V53-R56 VanDerWaalsContact O-N 3.16Å
57D96.5Very high91Very high63 Ų6355.5 Ų55.534%0.33727%0.269SS..  trans-119.3107.2-167.4-170.7-25.2000111.3V53 N59 Y60 R61V53-D57 HydrophobicContact CG1-CB 4.27Å; V53-D57 WeakPolarHBondContact O-CB 3.35Å; V53-D57 PolarHBondContact O-N 3.44Å; D57-N59 VanDerWaalsContact C-N 3.3Å; D57-N59 PolarHBondContact O-N 2.92Å; D57-N59 WeakPolarHBondContact OD1-CA 3.31Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 2.95Å; D57-Y60 PolarHBondContact O-N 2.9Å; D57-Y60 PolarHBondContact OD1-N 3.47Å; D57-Y60 VanDerWaalsContact OD1-N 3.07Å; D57-R61 PolarHBondContact O-N 3.12Å; D57-R61 VanDerWaalsContact O-N 3.11Å
58A93.1Very high89.8Confident54 Ų5463 Ų6345%0.44630%0.303SS..Hα-helixtrans-68-27.1179.400000113.4K62A58-K62 WeakPolarHBondContact O-CB 3.39Å; A58-K62 PolarHBondContact O-N 3.2Å
59N91.9Very high89Confident107 Ų10764.7 Ų64.757%0.57231%0.314SS*.Hα-helixtrans-73.1-44.5175.5-61.9-39.8000109.6D57 R61 K62 E63D57-N59 VanDerWaalsContact C-N 3.3Å; D57-N59 PolarHBondContact O-N 2.92Å; D57-N59 WeakPolarHBondContact OD1-CA 3.31Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 2.95Å; N59-R61 VanDerWaalsContact C-N 3.26Å; N59-R61 PolarHBondContact O-N 3.33Å; N59-K62 PolarHBondContact O-N 3.34Å; N59-K62 VanDerWaalsContact O-N 3.16Å; N59-E63 WeakPolarHBondContact O-CB 3.39Å; N59-E63 VanDerWaalsContact O-CG 3.31Å; N59-E63 WeakPolarHBondContact O-CG 3.48Å; N59-E63 PolarHBondContact O-N 3.13Å
60Y92.6Very high88.7Confident48 Ų4866 Ų6619%0.18832%0.324CS..Hα-helixtrans-57-39.7173.5179.4-99.9000112.1L49 H50 V53 F54 D57 N64L49-Y60 WeakPolarHBondContact CA-OH 3.49Å; H50-Y60 PolarHBondContact N-OH 3.31Å; H50-Y60 VanDerWaalsContact N-OH 3.08Å; V53-Y60 HydrophobicContact CB-CD1 4.04Å; V53-Y60 HydrophobicContact CB-CE1 4.12Å; V53-Y60 HydrophobicContact CB-CG 4.44Å; V53-Y60 HydrophobicContact CG1-CD1 3.66Å; V53-Y60 HydrophobicContact CG1-CD2 4.01Å; V53-Y60 HydrophobicContact CG1-CE1 4.13Å; V53-Y60 HydrophobicContact CG1-CE2 4.48Å; V53-Y60 HydrophobicContact CG1-CG 3.58Å; F54-Y60 HydrophobicContact CB-CD1 4.27Å; F54-Y60 HydrophobicContact CB-CE1 4.19Å; F54-Y60 HydrophobicContact CD2-CD1 4.23Å; F54-Y60 HydrophobicContact CD2-CE1 4.18Å; D57-Y60 PolarHBondContact O-N 2.9Å; D57-Y60 PolarHBondContact OD1-N 3.47Å; D57-Y60 VanDerWaalsContact OD1-N 3.07Å; Y60-N64 WeakPolarHBondContact CD2-ND2 3.26Å; Y60-N64 WeakPolarHBondContact O-CB 3.29Å; Y60-N64 PolarHBondContact O-N 3.48Å; Y60-N64 PolarHBondContact O-ND2 3.11Å
61R91.7Very high88.4Confident63 Ų6369.6 Ų69.624%0.23834%0.341CS..Hα-helixtrans-57.5-62.5170.6-64.9-161.8-71.3-83.88.1110.8F54 V55 D57 N59 E63 N64 L65F54-R61 HydrophobicContact CD1-CG 3.83Å; F54-R61 HydrophobicContact CD2-CB 4.29Å; F54-R61 HydrophobicContact CD2-CG 3.68Å; F54-R61 VanDerWaalsContact CE1-CD 3.49Å; F54-R61 HydrophobicContact CE1-CG 3.82Å; F54-R61 HydrophobicContact CE2-CB 3.9Å; F54-R61 HydrophobicContact CE2-CG 3.67Å; F54-R61 HydrophobicContact CG-CG 3.75Å; F54-R61 HydrophobicContact CZ-CB 4.07Å; F54-R61 HydrophobicContact CZ-CG 3.73Å; F54-R61 WeakPolarHBondContact O-CD 3.4Å; F54-R61 WeakPolarHBondContact O-CG 3.36Å; F54-R61 PolarHBondContact O-NH1 2.82Å; V55-R61 PolarHBondContact O-NH1 3.17Å; D57-R61 PolarHBondContact O-N 3.12Å; D57-R61 VanDerWaalsContact O-N 3.11Å; N59-R61 VanDerWaalsContact C-N 3.26Å; N59-R61 PolarHBondContact O-N 3.33Å; R61-E63 PolarHBondContact O-N 3.18Å; R61-E63 VanDerWaalsContact O-N 3.16Å; R61-N64 PolarHBondContact O-N 3.36Å; R61-L65 CarbonylContact O-C 3.57Å; R61-L65 PolarHBondContact O-N 2.9Å
62K87.7Confident88.2Confident113 Ų11375.3 Ų75.349%0.49137%0.367SS..Hα-helixtrans-53.8-35.1-176.5170.4168.2-176.61780114.4A58 N59 N67A58-K62 WeakPolarHBondContact O-CB 3.39Å; A58-K62 PolarHBondContact O-N 3.2Å; N59-K62 PolarHBondContact O-N 3.34Å; N59-K62 VanDerWaalsContact O-N 3.16Å; K62-N67 VanDerWaalsContact CD-OD1 3.27Å; K62-N67 WeakPolarHBondContact CD-OD1 3.47Å; K62-N67 WeakPolarHBondContact CE-OD1 3.1Å; K62-N67 VanDerWaalsContact CG-OD1 3.27Å; K62-N67 WeakPolarHBondContact CG-OD1 3.23Å
63E85.9Confident88Confident127 Ų12771.5 Ų71.559%0.59335%0.35SS*.Hα-helixtrans-77.8-23.4179.9-73.1173.3-173.500113.8N59 R61N59-E63 WeakPolarHBondContact O-CB 3.39Å; N59-E63 VanDerWaalsContact O-CG 3.31Å; N59-E63 WeakPolarHBondContact O-CG 3.48Å; N59-E63 PolarHBondContact O-N 3.13Å; R61-E63 PolarHBondContact O-N 3.18Å; R61-E63 VanDerWaalsContact O-N 3.16Å
64N87.1Confident87.9Confident20 Ų2072.1 Ų72.111%0.10735%0.348CS..Hα-helixtrans-117.5-26.3-171.4-67.9-96.7000114L49 Y60 R61L49-N64 HydrophobicContact CD2-CB 3.67Å; Y60-N64 WeakPolarHBondContact CD2-ND2 3.26Å; Y60-N64 WeakPolarHBondContact O-CB 3.29Å; Y60-N64 PolarHBondContact O-N 3.48Å; Y60-N64 PolarHBondContact O-ND2 3.11Å; R61-N64 PolarHBondContact O-N 3.36Å
65L82.9Confident88Confident16 Ų1672.3 Ų72.38%0.08435%0.35CS..SBendtrans-128.9104.3170.6-162.470.5000106.1T46 L49 F54 R61 T78 A95 Y98T46-L65 HydrophobicContact CG2-CD1 4.04Å; L49-L65 HydrophobicContact CD1-CB 4.45Å; F54-L65 HydrophobicContact CE2-CB 3.94Å; F54-L65 HydrophobicContact CE2-CD2 4.25Å; F54-L65 HydrophobicContact CZ-CB 4.15Å; F54-L65 HydrophobicContact CZ-CD2 3.72Å; R61-L65 CarbonylContact O-C 3.57Å; R61-L65 PolarHBondContact O-N 2.9Å; L65-T78 HydrophobicContact CD1-CG2 4.25Å; L65-T78 HydrophobicContact CD2-CG2 4.4Å; L65-A95 HydrophobicContact CD2-CB 3.58Å; L65-Y98 HydrophobicContact CD2-CD2 4.33Å; L65-Y98 HydrophobicContact CD2-CG 4.33Å
66Y65.6Low88Confident36 Ų3671.2 Ų71.214%0.14134%0.342CS..  trans-58.9156.7-160.2-72.5-106.4000113.3L30 E68 P265L30-Y66 HydrophobicContact CB-CD2 4.15Å; L30-Y66 HydrophobicContact CB-CE1 4.4Å; L30-Y66 HydrophobicContact CB-CE2 3.39Å; L30-Y66 HydrophobicContact CD2-CD1 4.19Å; L30-Y66 HydrophobicContact CD2-CD2 4.21Å; L30-Y66 HydrophobicContact CD2-CE1 4.04Å; L30-Y66 HydrophobicContact CD2-CE2 4.09Å; L30-Y66 HydrophobicContact CD2-CG 4.29Å; L30-Y66 HydrophobicContact CG-CE2 4.37Å; Y66-E68 PolarHBondContact O-N 3.08Å; Y66-E68 VanDerWaalsContact O-N 3.09Å; Y66-P265 HydrophobicContact CE1-CG 4.46Å; Y66-P265 PolarHBondContact OH-O 3.07Å
67N60.6Low88Confident105 Ų10562.7 Ų62.756%0.56131%0.31SS*.SBendtrans-54.4-26177.1-105.622.8000114.4K62K62-N67 VanDerWaalsContact CD-OD1 3.27Å; K62-N67 WeakPolarHBondContact CD-OD1 3.47Å; K62-N67 WeakPolarHBondContact CE-OD1 3.1Å; K62-N67 VanDerWaalsContact CG-OD1 3.27Å; K62-N67 WeakPolarHBondContact CG-OD1 3.23Å
68E70.2Confident88.1Confident163 Ų16359.7 Ų59.776%0.76229%0.294SS*.SBendtrans-136.3148.8-174.2-69.2173.4-164.600109.4Y66 C70Y66-E68 PolarHBondContact O-N 3.08Å; Y66-E68 VanDerWaalsContact O-N 3.09Å; E68-C70 PolarHBondContact O-N 3.27Å
69V81.2Confident88.4Confident57 Ų5757.1 Ų57.135%0.34527%0.273SS..  trans-76.7122.1178.7-175.30000109.2E71 Y98V69-E71 VanDerWaalsContact CG1-OE1 3.23Å; V69-E71 WeakPolarHBondContact CG1-OE1 3.48Å; V69-E71 PolarHBondContact O-N 3.27Å; V69-Y98 HydrophobicContact CG2-CD1 3.81Å; V69-Y98 HydrophobicContact CG2-CE1 4.43Å; V69-Y98 HydrophobicContact CG2-CG 4.49Å
70C89.9Confident88.7Confident29 Ų2952 Ų5220%0.19625%0.246CC..  trans-88.6101.2171.5-174.80000109.2L30 E68 E72 D73L30-C70 HydrophobicContact CD1-CB 3.99Å; L30-C70 HydrophobicContact CD2-CB 4.28Å; E68-C70 PolarHBondContact O-N 3.27Å; C70-E72 PolarHBondContact O-N 2.91Å; C70-D73 HydrophobicContact CB-CB 4.17Å; C70-D73 WeakPolarHBondContact O-CB 3.43Å; C70-D73 PolarHBondContact O-N 3.29Å
71E92.8Very high89Confident131 Ų13149.8 Ų49.861%0.61224%0.237SC*.G310 helixtrans-61.6-31.3-178.9-70.2-58129.300113.2V69 D73 R74V69-E71 VanDerWaalsContact CG1-OE1 3.23Å; V69-E71 WeakPolarHBondContact CG1-OE1 3.48Å; V69-E71 PolarHBondContact O-N 3.27Å; E71-D73 PolarHBondContact O-N 3.44Å; E71-R74 WeakPolarHBondContact O-CB 3.35Å; E71-R74 PolarHBondContact O-N 3.08Å; E71-R74 VanDerWaalsContact O-N 3.09Å; E71-R74 WeakPolarHBondContact OE2-CD 3.23Å
72E93.6Very high89.3Confident119 Ų11947 Ų4756%0.55623%0.227SC*.G310 helixtrans-62.7-22.9173.5-64.3166.6-138.400112.9L34 R37 C70 R74 Y263L34-E72 HydrophobicContact CD2-CB 3.9Å; R37-E72 WeakPolarHBondContact CD-O 3.38Å; C70-E72 PolarHBondContact O-N 2.91Å; E72-R74 VanDerWaalsContact C-N 3.34Å; E72-Y263 PolarHBondContact OE1-OH 2.83Å; E72-Y263 PolarHBondContact OE2-OH 2.81Å
73D94.9Very high89.8Confident2 Ų244.5 Ų44.51%0.01122%0.219CC..G310 helixtrans-90.78.6176.8-165.928.7000113.4L30 R33 L34 R37 C70 E71 L76L30-D73 HydrophobicContact CD1-CB 3.64Å; L30-D73 WeakPolarHBondContact CD1-OD2 3.1Å; R33-D73 WeakPolarHBondContact CB-OD1 3.39Å; R33-D73 IonicContact CZ-OD2 3.95Å; R33-D73 IonicContact NE-OD1 3.78Å; R33-D73 IonicContact NE-OD2 3.93Å; R33-D73 PolarHBondContact NE-OD2 3.39Å; R33-D73 IonicContact NH2-OD2 2.68Å; R33-D73 PolarHBondContact NH2-OD2 3.24Å; L34-D73 HydrophobicContact CD2-CB 4.08Å; R37-D73 VanDerWaalsContact CZ-O 3.29Å; R37-D73 IonicContact CZ-OD1 2.74Å; R37-D73 PolarHBondContact NE-O 2.99Å; R37-D73 IonicContact NE-OD1 3.59Å; R37-D73 PolarHBondContact NE-OD1 3.22Å; R37-D73 PolarHBondContact NH2-O 3.49Å; R37-D73 IonicContact NH2-OD1 3.98Å; R37-D73 PolarHBondContact NH2-OD1 3.24Å; C70-D73 HydrophobicContact CB-CB 4.17Å; C70-D73 WeakPolarHBondContact O-CB 3.43Å; C70-D73 PolarHBondContact O-N 3.29Å; E71-D73 PolarHBondContact O-N 3.44Å; D73-L76 WeakPolarHBondContact O-CB 3.27Å
74R96.1Very high90.4Very high47 Ų4741.5 Ų41.518%0.17721%0.207CC..  trans-96.4141.8177.2-58.4-167.578.3119.2-6.2112.2E71 E72 C99 D100E71-R74 WeakPolarHBondContact O-CB 3.35Å; E71-R74 PolarHBondContact O-N 3.08Å; E71-R74 VanDerWaalsContact O-N 3.09Å; E71-R74 WeakPolarHBondContact OE2-CD 3.23Å; E72-R74 VanDerWaalsContact C-N 3.34Å; R74-C99 PolarHBondContact NH2-O 3.45Å; R74-D100 IonicContact CZ-OD1 2.68Å; R74-D100 IonicContact CZ-OD2 3Å; R74-D100 IonicContact NE-OD1 3.45Å; R74-D100 PolarHBondContact NE-OD1 2.95Å; R74-D100 IonicContact NE-OD2 3.9Å; R74-D100 PolarHBondContact NE-OD2 3.21Å; R74-D100 VanDerWaalsContact NE-OD2 3.1Å; R74-D100 IonicContact NH2-OD1 3.19Å; R74-D100 PolarHBondContact NH2-OD1 3Å; R74-D100 IonicContact NH2-OD2 2.8Å; R74-D100 PolarHBondContact NH2-OD2 3.46Å
75P97.8Very high91Very high6 Ų641.5 Ų41.54%0.03921%0.208CC..SBendcis-77.7134.25.629.8-35.2000113.5L14 R37 Q42 L43 D100L14-P75 HydrophobicContact CD2-CB 3.97Å; R37-P75 PolarHBondContact NH2-O 3.21Å; Q42-P75 WeakPolarHBondContact O-CD 3.44Å; L43-P75 HydrophobicContact CD1-CB 4.18Å; L43-P75 HydrophobicContact CD1-CG 4.17Å; L43-P75 VanDerWaalsContact CD1-O 3.23Å; L43-P75 WeakPolarHBondContact CD1-O 3.28Å; P75-D100 WeakPolarHBondContact CA-OD2 3.28Å; P75-D100 HydrophobicContact CB-CB 4.41Å
76L98Very high91.7Very high11 Ų1145.4 Ų45.46%0.05823%0.226CC..EExtended strand (participates in β ladder)trans-119.6139.2-177.6-179.162.3000111.1T46 D73 D100T46-L76 HydrophobicContact CG2-CD1 4.08Å; T46-L76 HydrophobicContact CG2-CD2 4.23Å; T46-L76 HydrophobicContact CG2-CG 4.29Å; D73-L76 WeakPolarHBondContact O-CB 3.27Å; L76-D100 PolarHBondContact N-OD2 2.84Å; L76-D100 WeakPolarHBondContact O-CB 3.45Å; L76-D100 PolarHBondContact O-N 2.98Å
77I98.6Very high93.3Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-116.8124.6172-62.7178.7000110.6L14 L43 C44 Y45 T46 A101 D103 T145L14-I77 HydrophobicContact CD1-CD1 4.34Å; L14-I77 HydrophobicContact CD2-CD1 4.24Å; L43-I77 HydrophobicContact CD1-CD1 3.99Å; L43-I77 HydrophobicContact CD1-CG1 3.98Å; L43-I77 HydrophobicContact CD2-CD1 4.11Å; C44-I77 PolarHBondContact O-N 2.82Å; C44-I77 VanDerWaalsContact O-N 3.11Å; Y45-I77 VanDerWaalsContact CA-O 3.28Å; Y45-I77 WeakPolarHBondContact CA-O 3.29Å; Y45-I77 HydrophobicContact CD1-CB 3.84Å; Y45-I77 HydrophobicContact CD1-CG2 3.68Å; Y45-I77 HydrophobicContact CD2-CB 4.32Å; Y45-I77 HydrophobicContact CE1-CB 3.78Å; Y45-I77 HydrophobicContact CE1-CD1 4.28Å; Y45-I77 HydrophobicContact CE1-CG2 3.39Å; Y45-I77 HydrophobicContact CE2-CB 4.24Å; Y45-I77 HydrophobicContact CE2-CD1 4.02Å; Y45-I77 HydrophobicContact CG-CB 4.12Å; Y45-I77 HydrophobicContact CG-CG2 4.45Å; T46-I77 PolarHBondContact N-O 3.47Å; I77-A101 WeakPolarHBondContact CA-O 3.44Å; I77-A101 HydrophobicContact CD1-CB 4.21Å; I77-A101 HydrophobicContact CG1-CB 3.94Å; I77-A101 HydrophobicContact CG2-CB 4.33Å; I77-D103 HydrophobicContact CG2-CB 3.65Å; I77-T145 HydrophobicContact CD1-CG2 4.49Å
78T98.4Very high95.2Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-88.7115.9178.7-60.20000110T46 L49 L65 F80 A95 C99 A101 I102 D103T46-T78 HydrophobicContact CG2-CG2 4.23Å; T46-T78 WeakPolarHBondContact OG1-CA 3.49Å; L49-T78 HydrophobicContact CD1-CG2 3.93Å; L65-T78 HydrophobicContact CD1-CG2 4.25Å; L65-T78 HydrophobicContact CD2-CG2 4.4Å; T78-F80 HydrophobicContact CG2-CD2 4.37Å; T78-F80 HydrophobicContact CG2-CE2 3.75Å; T78-F80 HydrophobicContact CG2-CZ 3.97Å; T78-A95 HydrophobicContact CG2-CB 4.25Å; T78-C99 VanDerWaalsContact OG1-CB 3.28Å; T78-C99 WeakPolarHBondContact OG1-CB 3.23Å; T78-C99 PolarHBondContact OG1-SG 3.48Å; T78-A101 PolarHBondContact N-O 2.83Å; T78-I102 WeakPolarHBondContact O-CA 3.48Å; T78-D103 PolarHBondContact O-N 3.45Å
79Q98.8Very high96.5Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-95.6129179.7-177.217687.400112.5P23 Y45 T46 M48 L49 D103 N105P23-Q79 HydrophobicContact CB-CB 4.17Å; P23-Q79 VanDerWaalsContact CB-OE1 3.31Å; P23-Q79 VanDerWaalsContact CG-NE2 3.32Å; Y45-Q79 HydrophobicContact CD1-CB 4.48Å; T46-Q79 PolarHBondContact OG1-N 3.07Å; M48-Q79 HydrophobicContact CG-CG 4.48Å; L49-Q79 PolarHBondContact N-O 3.15Å; Q79-D103 WeakPolarHBondContact CA-O 3.32Å; Q79-D103 HydrophobicContact CB-CB 4.08Å; Q79-D103 HydrophobicContact CG-CB 4.18Å; Q79-D103 PolarHBondContact NE2-OD2 2.83Å; Q79-N105 HydrophobicContact CG-CB 3.9Å; Q79-N105 PolarHBondContact OE1-ND2 3.42Å
80F98.8Very high97.3Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-108.8150.6170.2-71.9-74.5000113.2L49 A51 F54 T78 F88 A91 A95 I102 D103 N105L49-F80 HydrophobicContact CB-CD1 3.7Å; L49-F80 HydrophobicContact CB-CE1 3.69Å; L49-F80 HydrophobicContact CD1-CE1 4.12Å; L49-F80 HydrophobicContact CD1-CZ 4.38Å; L49-F80 HydrophobicContact CG-CE1 4.49Å; L49-F80 CarbonylContact O-C 3.58Å; L49-F80 VanDerWaalsContact O-CA 3.26Å; L49-F80 WeakPolarHBondContact O-CA 3.39Å; A51-F80 HydrophobicContact CB-CB 4.46Å; A51-F80 HydrophobicContact CB-CD1 4.13Å; F54-F80 HydrophobicContact CB-CE1 3.84Å; F54-F80 AromaticContact CD1-CE1 3.78Å; F54-F80 HydrophobicContact CD1-CE1 3.78Å; F54-F80 AromaticContact CD1-CZ 3.81Å; F54-F80 HydrophobicContact CD1-CZ 3.81Å; F54-F80 AromaticContact CD2-CE1 3.87Å; F54-F80 HydrophobicContact CD2-CE1 3.87Å; F54-F80 HydrophobicContact CD2-CZ 4.29Å; F54-F80 HydrophobicContact CE1-CE1 4.29Å; F54-F80 AromaticContact CE1-CZ 3.9Å; F54-F80 HydrophobicContact CE1-CZ 3.9Å; F54-F80 HydrophobicContact CE2-CE1 4.38Å; F54-F80 HydrophobicContact CE2-CZ 4.39Å; F54-F80 AromaticContact CG-CE1 3.56Å; F54-F80 HydrophobicContact CG-CE1 3.56Å; F54-F80 HydrophobicContact CG-CZ 4.02Å; F54-F80 HydrophobicContact CZ-CZ 4.21Å; T78-F80 HydrophobicContact CG2-CD2 4.37Å; T78-F80 HydrophobicContact CG2-CE2 3.75Å; T78-F80 HydrophobicContact CG2-CZ 3.97Å; F80-F88 HydrophobicContact CB-CD2 4.17Å; F80-F88 HydrophobicContact CB-CE2 4.04Å; F80-F88 HydrophobicContact CD2-CE2 4.32Å; F80-A91 HydrophobicContact CD1-CB 4.12Å; F80-A91 HydrophobicContact CE1-CB 3.87Å; F80-A91 HydrophobicContact CE2-CB 4.43Å; F80-A91 HydrophobicContact CZ-CB 4.02Å; F80-A95 HydrophobicContact CE2-CB 3.88Å; F80-A95 HydrophobicContact CZ-CB 3.84Å; F80-I102 HydrophobicContact CD2-CG2 3.98Å; F80-I102 HydrophobicContact CE2-CD1 4.27Å; F80-I102 HydrophobicContact CE2-CG2 4.4Å; F80-D103 PolarHBondContact N-O 2.86Å; F80-N105 WeakPolarHBondContact O-CB 3.48Å; F80-N105 PolarHBondContact O-N 2.89Å
81C98.6Very high97.8Very high1 Ų133.3 Ų33.31%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-105.2132.6152.269.50000110.5M48 L49 A51 N105 Y118M48-C81 HydrophobicContact CE-CB 4.29Å; M48-C81 HydrophobicContact CG-CB 3.97Å; M48-C81 HydrophobicContact SD-CB 3.84Å; L49-C81 PolarHBondContact O-N 2.89Å; A51-C81 WeakPolarHBondContact CB-O 3.37Å; A51-C81 PolarHBondContact N-O 3.11Å; C81-N105 HydrophobicContact CB-CB 4.45Å; C81-Y118 HydrophobicContact CB-CD2 3.41Å; C81-Y118 VanDerWaalsContact CB-CD2 3.41Å; C81-Y118 HydrophobicContact CB-CE2 3.76Å; C81-Y118 HydrophobicContact CB-CG 3.9Å; C81-Y118 WeakPolarHBondContact SG-CE2 3.48Å
82A98.5Very high98Very high3 Ų327.1 Ų27.13%0.02513%0.134CC..  trans-153.5169-177.900000109.2A51 F88 L104 L122 M132A51-A82 HydrophobicContact CB-CB 3.74Å; A82-F88 HydrophobicContact CB-CB 3.75Å; A82-F88 HydrophobicContact CB-CD2 4.16Å; A82-F88 HydrophobicContact CB-CG 4.2Å; A82-L104 HydrophobicContact CB-CD1 4.35Å; A82-L122 WeakPolarHBondContact O-CD1 3.49Å; A82-M132 HydrophobicContact CB-CE 3.59Å
83N98.3Very high98.2Very high61 Ų6124.4 Ų24.433%0.32613%0.126SC..SBendtrans-150.116.6176.261-11.3000112.7G116 H117 L122N83-G116 PolarHBondContact ND2-O 3.26Å; N83-G116 VanDerWaalsContact ND2-O 3.11Å; N83-H117 WeakPolarHBondContact CB-O 3.02Å; N83-H117 PolarHBondContact ND2-O 3.29Å; N83-L122 HydrophobicContact CB-CD1 3.96Å; N83-L122 HydrophobicContact CB-CD2 4.16Å
84D98.7Very high98.3Very high64 Ų6427.7 Ų27.734%0.34214%0.143SC..SBendtrans-138.7131.6177.2175.2-86.6000107.9E86 V87 F88D84-E86 WeakPolarHBondContact OD1-CA 3.06Å; D84-E86 PolarHBondContact OD1-N 3.39Å; D84-V87 HydrophobicContact CB-CB 4.13Å; D84-V87 HydrophobicContact CB-CG2 4.19Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.07Å; D84-V87 PolarHBondContact OD1-N 2.96Å; D84-F88 WeakPolarHBondContact O-CB 3.46Å; D84-F88 PolarHBondContact O-N 3.01Å
85P98.8Very high98.4Very high20 Ų2025.5 Ų25.513%0.1313%0.134CC..Hα-helixtrans-61.4-41.5-177.7-23.633.8000114F88 L89 L128 R131 M132 L135P85-F88 PolarHBondContact O-N 3Å; P85-L89 WeakPolarHBondContact O-CB 3.3Å; P85-L89 PolarHBondContact O-N 2.78Å; P85-L128 HydrophobicContact CG-CD1 4.24Å; P85-R131 HydrophobicContact CG-CB 4.01Å; P85-M132 HydrophobicContact CB-CG 4.2Å; P85-M132 HydrophobicContact CG-CG 3.84Å; P85-L135 HydrophobicContact CB-CD2 3.71Å
86E98.7Very high98.3Very high99 Ų9926.5 Ų26.546%0.46314%0.138SC..Hα-helixtrans-74-42.2-175.2-63.8-59.2152.200111.1D84 F88 L89 Q90 L135D84-E86 WeakPolarHBondContact OD1-CA 3.06Å; D84-E86 PolarHBondContact OD1-N 3.39Å; E86-F88 VanDerWaalsContact C-N 3.32Å; E86-F88 PolarHBondContact O-N 3.46Å; E86-L89 PolarHBondContact O-N 2.95Å; E86-Q90 WeakPolarHBondContact O-CB 3.46Å; E86-Q90 WeakPolarHBondContact O-CG 3.46Å; E86-Q90 PolarHBondContact O-N 2.9Å; E86-L135 WeakPolarHBondContact OE1-CD2 3.37Å
87V98.8Very high98.1Very high22 Ų2231.2 Ų31.213%0.13316%0.164CC..Hα-helixtrans-65.6-36.6174.9176.50000111.2A51 Q52 D84 A91A51-V87 HydrophobicContact CB-CG1 4.16Å; Q52-V87 HydrophobicContact CB-CG1 3.95Å; D84-V87 HydrophobicContact CB-CB 4.13Å; D84-V87 HydrophobicContact CB-CG2 4.19Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.07Å; D84-V87 PolarHBondContact OD1-N 2.96Å; V87-A91 WeakPolarHBondContact O-CB 3.28Å; V87-A91 PolarHBondContact O-N 2.68Å; V87-A91 VanDerWaalsContact O-N 3.1Å
88F98.9Very high97.9Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-65.1-48.4173.3178.4-134000111.3F80 A82 D84 P85 E86 Q90 A91 A92 I102 L104 M132 A136F80-F88 HydrophobicContact CB-CD2 4.17Å; F80-F88 HydrophobicContact CB-CE2 4.04Å; F80-F88 HydrophobicContact CD2-CE2 4.32Å; A82-F88 HydrophobicContact CB-CB 3.75Å; A82-F88 HydrophobicContact CB-CD2 4.16Å; A82-F88 HydrophobicContact CB-CG 4.2Å; D84-F88 WeakPolarHBondContact O-CB 3.46Å; D84-F88 PolarHBondContact O-N 3.01Å; P85-F88 PolarHBondContact O-N 3Å; E86-F88 VanDerWaalsContact C-N 3.32Å; E86-F88 PolarHBondContact O-N 3.46Å; F88-Q90 PolarHBondContact O-N 3.1Å; F88-A91 PolarHBondContact O-N 2.8Å; F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 3.02Å; F88-A92 PolarHBondContact O-N 3.46Å; F88-I102 HydrophobicContact CE2-CG2 3.85Å; F88-I102 HydrophobicContact CZ-CG2 3.94Å; F88-L104 HydrophobicContact CD2-CD1 4.22Å; F88-L104 HydrophobicContact CE1-CB 4.36Å; F88-L104 HydrophobicContact CE1-CD1 4.41Å; F88-L104 HydrophobicContact CE1-CD2 4.34Å; F88-L104 HydrophobicContact CE2-CB 4.44Å; F88-L104 HydrophobicContact CE2-CD1 4.06Å; F88-L104 HydrophobicContact CG-CD1 4.48Å; F88-L104 HydrophobicContact CZ-CB 3.91Å; F88-L104 HydrophobicContact CZ-CD1 4.16Å; F88-L104 HydrophobicContact CZ-CG 4.45Å; F88-M132 HydrophobicContact CB-CE 3.91Å; F88-M132 HydrophobicContact CD1-CB 4.29Å; F88-M132 HydrophobicContact CD1-CE 4.18Å; F88-M132 HydrophobicContact CG-CE 4.1Å; F88-A136 HydrophobicContact CD1-CB 3.96Å; F88-A136 HydrophobicContact CE1-CB 3.53Å; F88-A136 HydrophobicContact CZ-CB 4.35Å
89L98.9Very high97.8Very high22 Ų2235.7 Ų35.712%0.11518%0.182CC..Hα-helixtrans-58.7-48177.1174.861.1000111.7P85 E86 A91 A92 V93 L135 K139 L140P85-L89 WeakPolarHBondContact O-CB 3.3Å; P85-L89 PolarHBondContact O-N 2.78Å; E86-L89 PolarHBondContact O-N 2.95Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 2.87Å; L89-A92 PolarHBondContact O-N 3.12Å; L89-V93 HydrophobicContact CD1-CG2 3.81Å; L89-V93 HydrophobicContact CG-CG2 4.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.13Å; L89-V93 PolarHBondContact O-N 3.48Å; L89-L135 HydrophobicContact CB-CD2 4.35Å; L89-L135 HydrophobicContact CD2-CD1 4.15Å; L89-L135 HydrophobicContact CD2-CD2 4.13Å; L89-L135 HydrophobicContact CD2-CG 3.96Å; L89-K139 HydrophobicContact CD1-CB 3.6Å; L89-K139 HydrophobicContact CD1-CG 4.32Å; L89-K139 HydrophobicContact CD2-CB 4.06Å; L89-K139 HydrophobicContact CD2-CG 3.91Å; L89-K139 HydrophobicContact CG-CB 4.5Å; L89-L140 HydrophobicContact CD1-CD2 4.13Å; L89-L140 HydrophobicContact CD1-CG 4.19Å
90Q98.6Very high97.7Very high92 Ų9236.7 Ų36.743%0.4319%0.187SC..Hα-helixtrans-59.9-42.8178.9-72.6167.828.400112.1V55 E86 F88 L94V55-Q90 HydrophobicContact CG1-CB 4.49Å; V55-Q90 HydrophobicContact CG2-CB 3.69Å; E86-Q90 WeakPolarHBondContact O-CB 3.46Å; E86-Q90 WeakPolarHBondContact O-CG 3.46Å; E86-Q90 PolarHBondContact O-N 2.9Å; F88-Q90 PolarHBondContact O-N 3.1Å; Q90-L94 WeakPolarHBondContact O-CG 3.5Å; Q90-L94 PolarHBondContact O-N 2.82Å
91A98.6Very high97.7Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-65.4-40.4176.100000112.1A51 F54 V55 F80 V87 F88 L89 L94 A95A51-A91 HydrophobicContact CB-CB 3.65Å; F54-A91 HydrophobicContact CB-CB 4.41Å; F54-A91 HydrophobicContact CD1-CB 4.12Å; V55-A91 HydrophobicContact CG2-CB 3.97Å; F80-A91 HydrophobicContact CD1-CB 4.12Å; F80-A91 HydrophobicContact CE1-CB 3.87Å; F80-A91 HydrophobicContact CE2-CB 4.43Å; F80-A91 HydrophobicContact CZ-CB 4.02Å; V87-A91 WeakPolarHBondContact O-CB 3.28Å; V87-A91 PolarHBondContact O-N 2.68Å; V87-A91 VanDerWaalsContact O-N 3.1Å; F88-A91 PolarHBondContact O-N 2.8Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 2.87Å; A91-L94 PolarHBondContact O-N 2.76Å; A91-A95 PolarHBondContact O-N 2.82Å
92A98.5Very high97.7Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-69-40.6179.700000112.9F88 L89 L94 A95 Q96 I102 L140F88-A92 VanDerWaalsContact O-CB 3.29Å; F88-A92 WeakPolarHBondContact O-CB 3.02Å; F88-A92 PolarHBondContact O-N 3.46Å; L89-A92 PolarHBondContact O-N 3.12Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.09Å; A92-A95 CarbonylContact O-C 3.53Å; A92-A95 PolarHBondContact O-N 3.03Å; A92-Q96 PolarHBondContact O-N 3.16Å; A92-I102 HydrophobicContact CB-CD1 4.42Å; A92-I102 HydrophobicContact CB-CG1 4.11Å; A92-I102 HydrophobicContact CB-CG2 3.87Å; A92-L140 HydrophobicContact CB-CD1 3.6Å; A92-L140 HydrophobicContact CB-CD2 3.66Å; A92-L140 HydrophobicContact CB-CG 4.24Å
93V98.1Very high97.8Very high63 Ų6336.5 Ų36.538%0.38219%0.186SC..Hα-helixtrans-60.9-37.1174.6166.70000111.3L89 A95 Q96 L140L89-V93 HydrophobicContact CD1-CG2 3.81Å; L89-V93 HydrophobicContact CG-CG2 4.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.13Å; L89-V93 PolarHBondContact O-N 3.48Å; V93-A95 PolarHBondContact O-N 3.28Å; V93-Q96 PolarHBondContact O-NE2 3.35Å; V93-L140 HydrophobicContact CB-CD2 4.49Å; V93-L140 HydrophobicContact CG2-CD2 3.75Å
94L96.9Very high97.8Very high71 Ų7133.6 Ų33.637%0.37217%0.17SC..THydrogen-bonded Turntrans-72.1-9.9174.9-70.4170000114.1F54 Q90 A91 A92F54-L94 HydrophobicContact CD1-CB 4.33Å; F54-L94 HydrophobicContact CE1-CB 3.78Å; Q90-L94 WeakPolarHBondContact O-CG 3.5Å; Q90-L94 PolarHBondContact O-N 2.82Å; A91-L94 PolarHBondContact O-N 2.76Å; A92-L94 VanDerWaalsContact C-N 3.27Å; A92-L94 PolarHBondContact O-N 3.09Å
95A96.8Very high97.8Very high0 Ų031.1 Ų31.10%016%0.157CC..THydrogen-bonded Turntrans-118.9-20.2-17400000114.5F54 L65 T78 F80 A91 A92 V93 D97 Y98 C99 I102F54-A95 HydrophobicContact CE1-CB 4.11Å; F54-A95 HydrophobicContact CZ-CB 4.19Å; L65-A95 HydrophobicContact CD2-CB 3.58Å; T78-A95 HydrophobicContact CG2-CB 4.25Å; F80-A95 HydrophobicContact CE2-CB 3.88Å; F80-A95 HydrophobicContact CZ-CB 3.84Å; A91-A95 PolarHBondContact O-N 2.82Å; A92-A95 CarbonylContact O-C 3.53Å; A92-A95 PolarHBondContact O-N 3.03Å; V93-A95 PolarHBondContact O-N 3.28Å; A95-D97 VanDerWaalsContact C-N 3.28Å; A95-D97 PolarHBondContact O-N 3.4Å; A95-Y98 PolarHBondContact O-N 3.06Å; A95-C99 PolarHBondContact O-SG 2.85Å; A95-C99 VanDerWaalsContact O-SG 3.32Å; A95-I102 HydrophobicContact CB-CD1 3.98Å
96Q96.1Very high97.8Very high27 Ų2730.1 Ų30.113%0.12615%0.151CC..G310 helixtrans-57.5-35-169.666.1-168.7-29.100114.1A92 V93 Y98 C99 S141 V142A92-Q96 PolarHBondContact O-N 3.16Å; V93-Q96 PolarHBondContact O-NE2 3.35Å; Q96-Y98 PolarHBondContact O-N 2.8Å; Q96-C99 PolarHBondContact O-N 3.01Å; Q96-C99 VanDerWaalsContact O-O 3.12Å; Q96-S141 PolarHBondContact OE1-OG 2.99Å; Q96-S141 VanDerWaalsContact OE1-OG 3.1Å; Q96-V142 HydrophobicContact CB-CG1 4.29Å; Q96-V142 HydrophobicContact CB-CG2 3.76Å
97D94Very high97.8Very high111 Ų11125.6 Ų25.659%0.59413%0.13SC*.G310 helixtrans-73.5-16.5-178.5-55.9-42.2000113.1A95A95-D97 VanDerWaalsContact C-N 3.28Å; A95-D97 PolarHBondContact O-N 3.4Å
98Y94.8Very high97.7Very high91 Ų9125.4 Ų25.436%0.35713%0.13SC..G310 helixtrans-98.15.2-177.5-56.3-92.6000113.4L65 V69 A95 Q96L65-Y98 HydrophobicContact CD2-CD2 4.33Å; L65-Y98 HydrophobicContact CD2-CG 4.33Å; V69-Y98 HydrophobicContact CG2-CD1 3.81Å; V69-Y98 HydrophobicContact CG2-CE1 4.43Å; V69-Y98 HydrophobicContact CG2-CG 4.49Å; A95-Y98 PolarHBondContact O-N 3.06Å; Q96-Y98 PolarHBondContact O-N 2.8Å
99C95.9Very high97.5Very high2 Ų226 Ų261%0.01413%0.133CC..SBendtrans-152.1175.8-175.462.70000112.2R74 T78 A95 Q96 A101 I102R74-C99 PolarHBondContact NH2-O 3.45Å; T78-C99 VanDerWaalsContact OG1-CB 3.28Å; T78-C99 WeakPolarHBondContact OG1-CB 3.23Å; T78-C99 PolarHBondContact OG1-SG 3.48Å; A95-C99 PolarHBondContact O-SG 2.85Å; A95-C99 VanDerWaalsContact O-SG 3.32Å; Q96-C99 PolarHBondContact O-N 3.01Å; Q96-C99 VanDerWaalsContact O-O 3.12Å; C99-A101 PolarHBondContact SG-O 2.84Å; C99-A101 VanDerWaalsContact SG-O 3.4Å; C99-I102 VanDerWaalsContact SG-CD1 3.57Å
100D97.7Very high97.3Very high22 Ų2230.5 Ų30.512%0.11815%0.154CC..SBendtrans-100.2-18.4-179.7-62.5-81.3000112.8T13 R74 P75 L76T13-D100 HydrophobicContact CG2-CB 3.84Å; R74-D100 IonicContact CZ-OD1 2.68Å; R74-D100 IonicContact CZ-OD2 3Å; R74-D100 IonicContact NE-OD1 3.45Å; R74-D100 PolarHBondContact NE-OD1 2.95Å; R74-D100 IonicContact NE-OD2 3.9Å; R74-D100 PolarHBondContact NE-OD2 3.21Å; R74-D100 VanDerWaalsContact NE-OD2 3.1Å; R74-D100 IonicContact NH2-OD1 3.19Å; R74-D100 PolarHBondContact NH2-OD1 3Å; R74-D100 IonicContact NH2-OD2 2.8Å; R74-D100 PolarHBondContact NH2-OD2 3.46Å; P75-D100 WeakPolarHBondContact CA-OD2 3.28Å; P75-D100 HydrophobicContact CB-CB 4.41Å; L76-D100 PolarHBondContact N-OD2 2.84Å; L76-D100 WeakPolarHBondContact O-CB 3.45Å; L76-D100 PolarHBondContact O-N 2.98Å
101A98.6Very high97.1Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-160.7162.917200000111.7F9 I77 T78 C99 P143 T145F9-A101 HydrophobicContact CE2-CB 4.12Å; F9-A101 HydrophobicContact CZ-CB 3.62Å; I77-A101 WeakPolarHBondContact CA-O 3.44Å; I77-A101 HydrophobicContact CD1-CB 4.21Å; I77-A101 HydrophobicContact CG1-CB 3.94Å; I77-A101 HydrophobicContact CG2-CB 4.33Å; T78-A101 PolarHBondContact N-O 2.83Å; C99-A101 PolarHBondContact SG-O 2.84Å; C99-A101 VanDerWaalsContact SG-O 3.4Å; A101-P143 WeakPolarHBondContact CA-O 3.32Å; A101-P143 HydrophobicContact CB-CB 4.31Å; A101-P143 VanDerWaalsContact CB-O 3.31Å; A101-P143 WeakPolarHBondContact CB-O 3.38Å; A101-T145 HydrophobicContact CB-CG2 4.1Å
102I98.8Very high96.9Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-109126.5174.4-59.6-64.9000109.7T78 F80 F88 A92 A95 C99 L140 V142 P143 V144 T145T78-I102 WeakPolarHBondContact O-CA 3.48Å; F80-I102 HydrophobicContact CD2-CG2 3.98Å; F80-I102 HydrophobicContact CE2-CD1 4.27Å; F80-I102 HydrophobicContact CE2-CG2 4.4Å; F88-I102 HydrophobicContact CE2-CG2 3.85Å; F88-I102 HydrophobicContact CZ-CG2 3.94Å; A92-I102 HydrophobicContact CB-CD1 4.42Å; A92-I102 HydrophobicContact CB-CG1 4.11Å; A92-I102 HydrophobicContact CB-CG2 3.87Å; A95-I102 HydrophobicContact CB-CD1 3.98Å; C99-I102 VanDerWaalsContact SG-CD1 3.57Å; I102-L140 HydrophobicContact CB-CD1 4.32Å; I102-L140 HydrophobicContact CG1-CD1 4.15Å; I102-V142 HydrophobicContact CG1-CG2 3.78Å; I102-P143 PolarHBondContact N-O 3.1Å; I102-V144 CarbonylContact O-C 3.59Å; I102-V144 VanDerWaalsContact O-CA 3.31Å; I102-V144 WeakPolarHBondContact O-CA 3.45Å; I102-T145 PolarHBondContact O-N 3.28Å
103D98.9Very high96.8Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-105.4135.7177.9-169.679.8000112.7Y45 I77 T78 Q79 F80 T145 C146 K147Y45-D103 HydrophobicContact CD1-CB 4.3Å; Y45-D103 HydrophobicContact CE1-CB 3.85Å; I77-D103 HydrophobicContact CG2-CB 3.65Å; T78-D103 PolarHBondContact O-N 3.45Å; Q79-D103 WeakPolarHBondContact CA-O 3.32Å; Q79-D103 HydrophobicContact CB-CB 4.08Å; Q79-D103 HydrophobicContact CG-CB 4.18Å; Q79-D103 PolarHBondContact NE2-OD2 2.83Å; F80-D103 PolarHBondContact N-O 2.86Å; D103-T145 WeakPolarHBondContact CA-O 3.26Å; D103-T145 WeakPolarHBondContact CA-OG1 3.31Å; D103-T145 WeakPolarHBondContact CB-OG1 3.48Å; D103-T145 WeakPolarHBondContact OD1-CB 3.49Å; D103-T145 PolarHBondContact OD1-OG1 2.91Å; D103-C146 VanDerWaalsContact OD1-CA 3.31Å; D103-C146 WeakPolarHBondContact OD1-CA 3.5Å; D103-C146 PolarHBondContact OD1-N 2.85Å; D103-C146 VanDerWaalsContact OD1-N 3.15Å; D103-K147 PolarHBondContact OD1-N 2.98Å; D103-K147 WeakPolarHBondContact OD2-CB 3.47Å
104L98.9Very high96.7Very high0 Ų038.8 Ų38.80%019%0.19CC..EExtended strand (participates in β ladder)trans-94.5118168.5-174.259.2000110.9A82 F88 L106 M132 V133 T145 K147A82-L104 HydrophobicContact CB-CD1 4.35Å; F88-L104 HydrophobicContact CD2-CD1 4.22Å; F88-L104 HydrophobicContact CE1-CB 4.36Å; F88-L104 HydrophobicContact CE1-CD1 4.41Å; F88-L104 HydrophobicContact CE1-CD2 4.34Å; F88-L104 HydrophobicContact CE2-CB 4.44Å; F88-L104 HydrophobicContact CE2-CD1 4.06Å; F88-L104 HydrophobicContact CG-CD1 4.48Å; F88-L104 HydrophobicContact CZ-CB 3.91Å; F88-L104 HydrophobicContact CZ-CD1 4.16Å; F88-L104 HydrophobicContact CZ-CG 4.45Å; L104-L106 HydrophobicContact CD2-CD1 4.28Å; L104-L106 HydrophobicContact CD2-CD2 3.99Å; L104-L106 HydrophobicContact CD2-CG 4.28Å; L104-L106 HydrophobicContact CG-CD1 4.46Å; L104-L106 HydrophobicContact CG-CD2 3.93Å; L104-L106 HydrophobicContact CG-CG 4.03Å; L104-L106 PolarHBondContact O-N 2.79Å; L104-M132 HydrophobicContact CD1-CE 3.78Å; L104-M132 HydrophobicContact CD2-CB 4.23Å; L104-M132 HydrophobicContact CD2-CE 3.94Å; L104-M132 HydrophobicContact CD2-SD 4.45Å; L104-V133 HydrophobicContact CD2-CG2 4.19Å; L104-T145 PolarHBondContact N-O 3.41Å; L104-K147 PolarHBondContact O-N 2.65Å; L104-K147 VanDerWaalsContact O-N 3.1Å
105N98.9Very high96.7Very high11 Ų1143.9 Ų43.96%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-73.1113.9174-169.8-61.8000110.8M48 Q79 F80 C81 G107 C108 G119M48-N105 HydrophobicContact CG-CB 4.07Å; M48-N105 HydrophobicContact SD-CB 4.04Å; M48-N105 PolarHBondContact SD-ND2 3.29Å; Q79-N105 HydrophobicContact CG-CB 3.9Å; Q79-N105 PolarHBondContact OE1-ND2 3.42Å; F80-N105 WeakPolarHBondContact O-CB 3.48Å; F80-N105 PolarHBondContact O-N 2.89Å; C81-N105 HydrophobicContact CB-CB 4.45Å; N105-G107 PolarHBondContact OD1-N 2.97Å; N105-G107 VanDerWaalsContact OD1-N 3.08Å; N105-C108 VanDerWaalsContact OD1-CB 3.28Å; N105-C108 WeakPolarHBondContact OD1-CB 3.39Å; N105-C108 PolarHBondContact OD1-N 2.91Å; N105-G119 VanDerWaalsContact O-CA 3.31Å; N105-G119 WeakPolarHBondContact O-CA 3.44Å
106L98.8Very high96.7Very high0 Ų045.2 Ų45.20%022%0.219CC..EExtended strand (participates in β ladder)trans-122.724.2175.9-59.5176.7000111.2L104 L122 L129 C146 K147 I148 L164L104-L106 HydrophobicContact CD2-CD1 4.28Å; L104-L106 HydrophobicContact CD2-CD2 3.99Å; L104-L106 HydrophobicContact CD2-CG 4.28Å; L104-L106 HydrophobicContact CG-CD1 4.46Å; L104-L106 HydrophobicContact CG-CD2 3.93Å; L104-L106 HydrophobicContact CG-CG 4.03Å; L104-L106 PolarHBondContact O-N 2.79Å; L106-L122 HydrophobicContact CD2-CD1 4.5Å; L106-L129 HydrophobicContact CD1-CD1 4.26Å; L106-L129 HydrophobicContact CD1-CD2 4.16Å; L106-L129 HydrophobicContact CD2-CD1 4.41Å; L106-L129 HydrophobicContact CD2-CD2 3.44Å; L106-L129 VanDerWaalsContact CD2-CD2 3.44Å; L106-L129 HydrophobicContact CG-CD2 4.46Å; L106-C146 HydrophobicContact CD1-CB 4.39Å; L106-K147 CarbonylContact C-O 3.55Å; L106-K147 VanDerWaalsContact C-O 3.24Å; L106-K147 WeakPolarHBondContact CA-O 3.46Å; L106-K147 PolarHBondContact N-O 2.71Å; L106-I148 HydrophobicContact CB-CG2 4.02Å; L106-I148 HydrophobicContact CD1-CG2 4.3Å; L106-L164 HydrophobicContact CD1-CD1 4.1Å; L106-L164 HydrophobicContact CD1-CD2 3.88Å
107G97.5Very high96.8Very high4 Ų447.9 Ų47.94%0.04123%0.231CC..  trans-135.8-7.5-169.100000115.7N105 P109 K147 R149N105-G107 PolarHBondContact OD1-N 2.97Å; N105-G107 VanDerWaalsContact OD1-N 3.08Å; G107-P109 VanDerWaalsContact O-CD 3.29Å; G107-P109 WeakPolarHBondContact O-CD 3.41Å; G107-K147 PolarHBondContact N-O 2.68Å; G107-R149 WeakPolarHBondContact O-CD 3.4Å; G107-R149 WeakPolarHBondContact O-CG 3.42Å; G107-R149 PolarHBondContact O-NE 3.1Å
108C96.9Very high97Very high18 Ų1843.1 Ų43.112%0.12221%0.205CC..  trans-72.3118.2177.4-173.90000111.1M48 N105 A113 V120M48-C108 HydrophobicContact SD-CB 3.94Å; N105-C108 VanDerWaalsContact OD1-CB 3.28Å; N105-C108 WeakPolarHBondContact OD1-CB 3.39Å; N105-C108 PolarHBondContact OD1-N 2.91Å; C108-A113 HydrophobicContact CB-CB 4.28Å; C108-V120 WeakPolarHBondContact O-CG1 3.43Å; C108-V120 PolarHBondContact O-N 2.85Å
109P96.3Very high97.1Very high11 Ų1138.8 Ų38.87%0.07119%0.188CC..  trans-102.110.8-175.644-39000113.3G107 V120 K182G107-P109 VanDerWaalsContact O-CD 3.29Å; G107-P109 WeakPolarHBondContact O-CD 3.41Å; P109-V120 HydrophobicContact CB-CG1 3.96Å; P109-K182 HydrophobicContact CB-CD 3.86Å; P109-K182 HydrophobicContact CG-CB 4.21Å; P109-K182 HydrophobicContact CG-CD 4.09Å; P109-K182 WeakPolarHBondContact O-CD 3.42Å; P109-K182 PolarHBondContact O-NZ 3.35Å
110Q94.4Very high97.3Very high117 Ų11738.8 Ų38.855%0.54719%0.187SC..SBendtrans-71.7155-172.7-66.6-65.5-4.200112I112 A113 K114Q110-I112 HydrophobicContact CB-CG2 4.09Å; Q110-I112 PolarHBondContact O-N 3.3Å; Q110-A113 WeakPolarHBondContact O-CB 3.31Å; Q110-A113 PolarHBondContact O-N 2.79Å; Q110-K114 PolarHBondContact O-N 2.89Å
111M93.6Very high97.3Very high98 Ų9839.8 Ų39.848%0.48319%0.191SC..Hα-helixtrans-64.1-23.3-179.9-69.5-57.5-62.500113.6K114 R115M111-K114 HydrophobicContact CE-CD 4.03Å; M111-K114 HydrophobicContact SD-CD 4.3Å; M111-R115 WeakPolarHBondContact O-CB 3.39Å; M111-R115 VanDerWaalsContact O-CG 3.27Å; M111-R115 WeakPolarHBondContact O-CG 3.49Å; M111-R115 PolarHBondContact O-N 3.47Å; M111-R115 VanDerWaalsContact O-N 3.09Å
112I94.1Very high97.3Very high107 Ų10739.8 Ų39.855%0.54919%0.191SC..Hα-helixtrans-68.1-41.2171.9-166.765.5000111.1Q110 K114 R115 G116Q110-I112 HydrophobicContact CB-CG2 4.09Å; Q110-I112 PolarHBondContact O-N 3.3Å; I112-K114 PolarHBondContact O-N 3.29Å; I112-R115 PolarHBondContact O-N 3.08Å; I112-G116 PolarHBondContact O-N 2.99Å
113A96.2Very high97.2Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-66.4-35.6174.300000112.4C108 Q110 R115 H117 Y118 F121C108-A113 HydrophobicContact CB-CB 4.28Å; Q110-A113 WeakPolarHBondContact O-CB 3.31Å; Q110-A113 PolarHBondContact O-N 2.79Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 2.85Å; A113-H117 WeakPolarHBondContact O-CA 3.02Å; A113-H117 PolarHBondContact O-N 3.21Å; A113-Y118 VanDerWaalsContact CA-CE2 3.45Å; A113-Y118 HydrophobicContact CB-CD2 3.63Å; A113-Y118 HydrophobicContact CB-CE2 3.44Å; A113-Y118 VanDerWaalsContact CB-CE2 3.44Å; A113-Y118 HydrophobicContact CB-CG 4.49Å; A113-Y118 PolarHBondContact O-N 3.39Å; A113-F121 HydrophobicContact CB-CD2 4.03Å; A113-F121 HydrophobicContact CB-CE2 4.08Å
114K96.4Very high97.2Very high124 Ų12443.9 Ų43.954%0.53921%0.212SC..Hα-helixtrans-62.1-41.7171.1-166.7177.9179-175.60111.9Q110 M111 I112 F121Q110-K114 PolarHBondContact O-N 2.89Å; M111-K114 HydrophobicContact CE-CD 4.03Å; M111-K114 HydrophobicContact SD-CD 4.3Å; I112-K114 PolarHBondContact O-N 3.29Å; K114-F121 HydrophobicContact CB-CD1 4.17Å; K114-F121 HydrophobicContact CB-CD2 4.06Å; K114-F121 HydrophobicContact CB-CE1 3.8Å; K114-F121 HydrophobicContact CB-CE2 3.68Å; K114-F121 HydrophobicContact CB-CG 4.29Å; K114-F121 HydrophobicContact CB-CZ 3.55Å; K114-F121 HydrophobicContact CD-CE1 3.98Å; K114-F121 HydrophobicContact CD-CZ 4.35Å; K114-F121 HydrophobicContact CG-CD1 3.91Å; K114-F121 HydrophobicContact CG-CE1 3.68Å; K114-F121 HydrophobicContact CG-CE2 4.45Å; K114-F121 HydrophobicContact CG-CG 4.41Å; K114-F121 HydrophobicContact CG-CZ 3.98Å; K114-F121 VanDerWaalsContact N-CE2 3.31Å
115R96.8Very high97.2Very high178 Ų17847.1 Ų47.167%0.67223%0.228SC*.Hα-helixtrans-76.1-36.9-177.1-74.2171.4177.8-177-1.7113.2M111 I112 A113 H117 E367M111-R115 WeakPolarHBondContact O-CB 3.39Å; M111-R115 VanDerWaalsContact O-CG 3.27Å; M111-R115 WeakPolarHBondContact O-CG 3.49Å; M111-R115 PolarHBondContact O-N 3.47Å; M111-R115 VanDerWaalsContact O-N 3.09Å; I112-R115 PolarHBondContact O-N 3.08Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 2.85Å; R115-H117 VanDerWaalsContact C-N 3.3Å; R115-E367 IonicContact NH2-OE2 3.28Å
116G96.7Very high97.1Very high29 Ų2950.2 Ų50.230%0.29924%0.239SC..Hα-helixtrans-84.3-3.8173.400000113.9N83 I112 Y118N83-G116 PolarHBondContact ND2-O 3.26Å; N83-G116 VanDerWaalsContact ND2-O 3.11Å; I112-G116 PolarHBondContact O-N 2.99Å; G116-Y118 WeakPolarHBondContact O-CD1 3.37Å
117H98.1Very high97.1Very high83 Ų8356.9 Ų56.938%0.38427%0.269SS..THydrogen-bonded Turntrans5458.9179.2-172.958.2000112.7N83 A113 R115 L122 E125N83-H117 WeakPolarHBondContact CB-O 3.02Å; N83-H117 PolarHBondContact ND2-O 3.29Å; A113-H117 WeakPolarHBondContact O-CA 3.02Å; A113-H117 PolarHBondContact O-N 3.21Å; R115-H117 VanDerWaalsContact C-N 3.3Å; H117-L122 WeakPolarHBondContact O-CD2 3.47Å; H117-E125 IonicContact CE1-OE1 3.65Å; H117-E125 PolarHBondContact CE1-OE1 2.94Å; H117-E125 IonicContact NE2-OE1 3.87Å; H117-E125 PolarHBondContact NE2-OE1 3.45Å; H117-E125 IonicContact NE2-OE2 3.78Å
118Y98.4Very high97.2Very high11 Ų1157.8 Ų57.84%0.04327%0.273CS..  trans-143.8179.1177.357.9-106.7000110.9M48 H50 C81 A113 G116 F121M48-Y118 HydrophobicContact CE-CE2 3.97Å; H50-Y118 AromaticContact NE2-CE1 3.85Å; C81-Y118 HydrophobicContact CB-CD2 3.41Å; C81-Y118 VanDerWaalsContact CB-CD2 3.41Å; C81-Y118 HydrophobicContact CB-CE2 3.76Å; C81-Y118 HydrophobicContact CB-CG 3.9Å; C81-Y118 WeakPolarHBondContact SG-CE2 3.48Å; A113-Y118 VanDerWaalsContact CA-CE2 3.45Å; A113-Y118 HydrophobicContact CB-CD2 3.63Å; A113-Y118 HydrophobicContact CB-CE2 3.44Å; A113-Y118 VanDerWaalsContact CB-CE2 3.44Å; A113-Y118 HydrophobicContact CB-CG 4.49Å; A113-Y118 PolarHBondContact O-N 3.39Å; G116-Y118 WeakPolarHBondContact O-CD1 3.37Å; Y118-F121 WeakPolarHBondContact O-CD2 3.26Å
119G98.3Very high97.3Very high0 Ų056.9 Ų56.90%027%0.267CS..G310 helixtrans72.2-138.7178.900000111.5N105 F121 L122N105-G119 VanDerWaalsContact O-CA 3.31Å; N105-G119 WeakPolarHBondContact O-CA 3.44Å; G119-F121 PolarHBondContact O-N 2.98Å; G119-L122 PolarHBondContact O-N 2.9Å
120V98.2Very high97.4Very high1 Ų160.1 Ų60.11%0.00628%0.282CS..G310 helixtrans-65.8-10-178.182.70000113.5C108 P109 L122 Q123 R149 K179C108-V120 WeakPolarHBondContact O-CG1 3.43Å; C108-V120 PolarHBondContact O-N 2.85Å; P109-V120 HydrophobicContact CB-CG1 3.96Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-Q123 WeakPolarHBondContact O-CB 3.31Å; V120-Q123 WeakPolarHBondContact O-CG 3.45Å; V120-Q123 PolarHBondContact O-N 3.49Å; V120-R149 HydrophobicContact CG2-CB 3.78Å; V120-R149 HydrophobicContact CG2-CG 4.46Å; V120-K179 HydrophobicContact CB-CB 4.31Å; V120-K179 HydrophobicContact CG1-CB 3.62Å; V120-K179 HydrophobicContact CG2-CB 3.66Å
121F98.4Very high97.6Very high44 Ų4460.5 Ų60.519%0.19328%0.278CS..G310 helixtrans-78-13.3179-62.8-78000113.2A113 K114 Y118 G119A113-F121 HydrophobicContact CB-CD2 4.03Å; A113-F121 HydrophobicContact CB-CE2 4.08Å; K114-F121 HydrophobicContact CB-CD1 4.17Å; K114-F121 HydrophobicContact CB-CD2 4.06Å; K114-F121 HydrophobicContact CB-CE1 3.8Å; K114-F121 HydrophobicContact CB-CE2 3.68Å; K114-F121 HydrophobicContact CB-CG 4.29Å; K114-F121 HydrophobicContact CB-CZ 3.55Å; K114-F121 HydrophobicContact CD-CE1 3.98Å; K114-F121 HydrophobicContact CD-CZ 4.35Å; K114-F121 HydrophobicContact CG-CD1 3.91Å; K114-F121 HydrophobicContact CG-CE1 3.68Å; K114-F121 HydrophobicContact CG-CE2 4.45Å; K114-F121 HydrophobicContact CG-CG 4.41Å; K114-F121 HydrophobicContact CG-CZ 3.98Å; K114-F121 VanDerWaalsContact N-CE2 3.31Å; Y118-F121 WeakPolarHBondContact O-CD2 3.26Å; G119-F121 PolarHBondContact O-N 2.98Å
122L98.4Very high97.9Very high0 Ų055.8 Ų55.80%026%0.255CS..G310 helixtrans-91.6-3.9172.1-57.3178.9000113.4A82 N83 L106 H117 G119 V120 D124 E125 L128 L129A82-L122 WeakPolarHBondContact O-CD1 3.49Å; N83-L122 HydrophobicContact CB-CD1 3.96Å; N83-L122 HydrophobicContact CB-CD2 4.16Å; L106-L122 HydrophobicContact CD2-CD1 4.5Å; H117-L122 WeakPolarHBondContact O-CD2 3.47Å; G119-L122 PolarHBondContact O-N 2.9Å; V120-L122 VanDerWaalsContact C-N 3.27Å; L122-D124 PolarHBondContact O-N 3.05Å; L122-E125 PolarHBondContact O-N 3.18Å; L122-L128 HydrophobicContact CD2-CD2 4.08Å; L122-L129 HydrophobicContact CB-CD2 3.98Å; L122-L129 HydrophobicContact CD1-CD2 4.22Å; L122-L129 WeakPolarHBondContact O-CD1 3.48Å
123Q97.6Very high98.1Very high8 Ų850.7 Ų50.74%0.03723%0.229CC..THydrogen-bonded Turntrans-55.4-25.3-170.671.9175.520.800114V120 W126 F151 K179V120-Q123 WeakPolarHBondContact O-CB 3.31Å; V120-Q123 WeakPolarHBondContact O-CG 3.45Å; V120-Q123 PolarHBondContact O-N 3.49Å; Q123-W126 PolarHBondContact O-NE1 2.94Å; Q123-F151 HydrophobicContact CB-CZ 3.98Å; Q123-F151 HydrophobicContact CG-CE1 3.88Å; Q123-F151 HydrophobicContact CG-CZ 3.79Å; Q123-F151 WeakPolarHBondContact O-CZ 3.21Å; Q123-K179 VanDerWaalsContact NE2-NZ 3.15Å
124D97.9Very high98.2Very high78 Ų7853.2 Ų53.242%0.41725%0.246SC..THydrogen-bonded Turntrans-97.7-2.7-176.3-71.9-72.2000112.2L122 F151 K156 K179L122-D124 PolarHBondContact O-N 3.05Å; D124-F151 VanDerWaalsContact OD1-CE1 3.31Å; D124-F151 WeakPolarHBondContact OD1-CE1 3.21Å; D124-K156 IonicContact OD1-NZ 2.72Å; D124-K156 PolarHBondContact OD1-NZ 3.5Å; D124-K179 IonicContact OD2-NZ 2.76Å
125E98.5Very high98.3Very high68 Ų6848.8 Ų48.832%0.31823%0.228SC..  trans-104.462.3-175.5-68.7170.8-120.800111.7H117 L122 E127 L128 L129H117-E125 IonicContact CE1-OE1 3.65Å; H117-E125 PolarHBondContact CE1-OE1 2.94Å; H117-E125 IonicContact NE2-OE1 3.87Å; H117-E125 PolarHBondContact NE2-OE1 3.45Å; H117-E125 IonicContact NE2-OE2 3.78Å; L122-E125 PolarHBondContact O-N 3.18Å; E125-E127 PolarHBondContact O-N 3.41Å; E125-L128 HydrophobicContact CB-CB 4.27Å; E125-L128 WeakPolarHBondContact O-CB 3.35Å; E125-L128 PolarHBondContact O-N 2.86Å; E125-L128 VanDerWaalsContact O-N 3.08Å; E125-L129 PolarHBondContact O-N 3.17Å
126W98.6Very high98.4Very high76 Ų7640.3 Ų40.329%0.28820%0.197SC..Hα-helixtrans-60.7-39.3-166.3-65.12.3000113.7Q123 L128 L129 E130 K156 R159 Y160 M163Q123-W126 PolarHBondContact O-NE1 2.94Å; W126-L128 VanDerWaalsContact C-N 3.3Å; W126-L128 PolarHBondContact O-N 2.92Å; W126-L129 PolarHBondContact O-N 2.9Å; W126-L129 VanDerWaalsContact O-N 3.17Å; W126-E130 WeakPolarHBondContact O-CG 3.31Å; W126-E130 PolarHBondContact O-N 2.94Å; W126-K156 HydrophobicContact CZ2-CG 4.16Å; W126-R159 HydrophobicContact CH2-CB 3.9Å; W126-R159 HydrophobicContact CZ3-CB 4.32Å; W126-Y160 AromaticContact NE1-CD2 3.61Å; W126-M163 HydrophobicContact CB-CE 4.11Å; W126-M163 HydrophobicContact CG-CE 4.06Å
127E98.7Very high98.5Very high139 Ų13940.6 Ų40.665%0.6519%0.191SC*.Hα-helixtrans-61.1-36.1176.5-61.3-178.6-170.400113.6E125 R131E125-E127 PolarHBondContact O-N 3.41Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.13Å; E127-R131 VanDerWaalsContact O-N 3.12Å; E127-R131 IonicContact OE2-NH1 3.63Å
128L98.8Very high98.5Very high23 Ų2343.1 Ų43.112%0.1220%0.203CC..Hα-helixtrans-68.1-43.5176.6174.860.8000109.9P85 L122 E125 W126 R131 M132P85-L128 HydrophobicContact CG-CD1 4.24Å; L122-L128 HydrophobicContact CD2-CD2 4.08Å; E125-L128 HydrophobicContact CB-CB 4.27Å; E125-L128 WeakPolarHBondContact O-CB 3.35Å; E125-L128 PolarHBondContact O-N 2.86Å; E125-L128 VanDerWaalsContact O-N 3.08Å; W126-L128 VanDerWaalsContact C-N 3.3Å; W126-L128 PolarHBondContact O-N 2.92Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-M132 HydrophobicContact CD1-CG 4.21Å; L128-M132 HydrophobicContact CD1-SD 4.22Å; L128-M132 HydrophobicContact CG-CG 4.48Å; L128-M132 HydrophobicContact CG-SD 4.08Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.46Å; L128-M132 PolarHBondContact O-N 2.97Å
129L98.8Very high98.5Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-66.4-41.4178.6-62.4-178.6000112.5L106 L122 E125 W126 R131 M132 V133 Y160 M163 L164L106-L129 HydrophobicContact CD1-CD1 4.26Å; L106-L129 HydrophobicContact CD1-CD2 4.16Å; L106-L129 HydrophobicContact CD2-CD1 4.41Å; L106-L129 HydrophobicContact CD2-CD2 3.44Å; L106-L129 VanDerWaalsContact CD2-CD2 3.44Å; L106-L129 HydrophobicContact CG-CD2 4.46Å; L122-L129 HydrophobicContact CB-CD2 3.98Å; L122-L129 HydrophobicContact CD1-CD2 4.22Å; L122-L129 WeakPolarHBondContact O-CD1 3.48Å; E125-L129 PolarHBondContact O-N 3.17Å; W126-L129 PolarHBondContact O-N 2.9Å; W126-L129 VanDerWaalsContact O-N 3.17Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.09Å; L129-M132 HydrophobicContact CD2-SD 4.46Å; L129-M132 PolarHBondContact O-N 3.02Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 2.57Å; L129-Y160 HydrophobicContact CD1-CE2 3.6Å; L129-M163 HydrophobicContact CB-CE 3.97Å; L129-M163 HydrophobicContact CB-SD 4.4Å; L129-M163 HydrophobicContact CD1-CE 4.22Å; L129-L164 HydrophobicContact CB-CD2 4.34Å
130E98.8Very high98.5Very high79 Ų7948.2 Ų48.237%0.36923%0.226SC..Hα-helixtrans-55.8-49.6171.4-74.3-172.2179.900110.5W126 S134 M163 A167W126-E130 WeakPolarHBondContact O-CG 3.31Å; W126-E130 PolarHBondContact O-N 2.94Å; E130-S134 VanDerWaalsContact O-CB 3.23Å; E130-S134 WeakPolarHBondContact O-CB 3.21Å; E130-S134 PolarHBondContact O-N 3.42Å; E130-S134 PolarHBondContact O-OG 3.43Å; E130-M163 HydrophobicContact CB-SD 4.49Å; E130-M163 HydrophobicContact CG-CG 3.53Å; E130-M163 HydrophobicContact CG-SD 3.45Å; E130-M163 WeakPolarHBondContact CG-SD 3.48Å; E130-M163 VanDerWaalsContact OE1-CG 3.27Å; E130-M163 WeakPolarHBondContact OE1-CG 3.27Å; E130-A167 HydrophobicContact CG-CB 4.45Å
131R98.8Very high98.5Very high124 Ų12451.7 Ų51.747%0.46825%0.25SC..Hα-helixtrans-61.8-44.5177.8-72.1-172.6-58.8-98.23.3112.8P85 E127 L128 L129 S134 L135P85-R131 HydrophobicContact CG-CB 4.01Å; E127-R131 WeakPolarHBondContact O-CG 3.49Å; E127-R131 PolarHBondContact O-N 3.13Å; E127-R131 VanDerWaalsContact O-N 3.12Å; E127-R131 IonicContact OE2-NH1 3.63Å; L128-R131 PolarHBondContact O-N 3.23Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.09Å; R131-S134 PolarHBondContact O-OG 3.11Å; R131-L135 WeakPolarHBondContact O-CB 3.04Å; R131-L135 PolarHBondContact O-N 3.07Å; R131-L135 VanDerWaalsContact O-N 3.1Å
132M98.9Very high98.4Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-63-46.3179.5-72.2179.97300112.4A82 P85 F88 L104 L128 L129 A136A82-M132 HydrophobicContact CB-CE 3.59Å; P85-M132 HydrophobicContact CB-CG 4.2Å; P85-M132 HydrophobicContact CG-CG 3.84Å; F88-M132 HydrophobicContact CB-CE 3.91Å; F88-M132 HydrophobicContact CD1-CB 4.29Å; F88-M132 HydrophobicContact CD1-CE 4.18Å; F88-M132 HydrophobicContact CG-CE 4.1Å; L104-M132 HydrophobicContact CD1-CE 3.78Å; L104-M132 HydrophobicContact CD2-CB 4.23Å; L104-M132 HydrophobicContact CD2-CE 3.94Å; L104-M132 HydrophobicContact CD2-SD 4.45Å; L128-M132 HydrophobicContact CD1-CG 4.21Å; L128-M132 HydrophobicContact CD1-SD 4.22Å; L128-M132 HydrophobicContact CG-CG 4.48Å; L128-M132 HydrophobicContact CG-SD 4.08Å; L128-M132 VanDerWaalsContact O-CG 3.28Å; L128-M132 WeakPolarHBondContact O-CG 3.46Å; L128-M132 PolarHBondContact O-N 2.97Å; L129-M132 HydrophobicContact CD2-SD 4.46Å; L129-M132 PolarHBondContact O-N 3.02Å; M132-A136 VanDerWaalsContact O-CB 3.26Å; M132-A136 WeakPolarHBondContact O-CB 3.4Å; M132-A136 PolarHBondContact O-N 2.93Å
133V98.9Very high98.4Very high0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-75-41.5-176.7176.50000111.3L104 L129 N137 V144 L164 A167 C169L104-V133 HydrophobicContact CD2-CG2 4.19Å; L129-V133 WeakPolarHBondContact O-CB 3.42Å; L129-V133 WeakPolarHBondContact O-CG2 3.36Å; L129-V133 PolarHBondContact O-N 2.57Å; V133-N137 VanDerWaalsContact O-CB 3.23Å; V133-N137 WeakPolarHBondContact O-CB 3.47Å; V133-N137 PolarHBondContact O-N 2.97Å; V133-V144 HydrophobicContact CG1-CG1 4.39Å; V133-L164 HydrophobicContact CG2-CD2 4.09Å; V133-A167 CarbonylContact C-O 3.59Å; V133-A167 HydrophobicContact CB-CB 3.91Å; V133-A167 HydrophobicContact CG1-CB 3.92Å; V133-C169 HydrophobicContact CG1-CB 4.22Å
134S98.8Very high98.5Very high53 Ų5350.5 Ų50.537%0.37125%0.247SC..Hα-helixtrans-66.2-47.2179.457.40000112.8E130 R131 A136 N137 E138 A167E130-S134 VanDerWaalsContact O-CB 3.23Å; E130-S134 WeakPolarHBondContact O-CB 3.21Å; E130-S134 PolarHBondContact O-N 3.42Å; E130-S134 PolarHBondContact O-OG 3.43Å; R131-S134 PolarHBondContact O-OG 3.11Å; S134-A136 PolarHBondContact O-N 3.21Å; S134-N137 PolarHBondContact O-N 3.09Å; S134-E138 WeakPolarHBondContact O-CB 3.45Å; S134-E138 PolarHBondContact O-N 3.02Å; S134-A167 WeakPolarHBondContact CA-O 3.43Å; S134-A167 WeakPolarHBondContact CB-O 3.28Å; S134-A167 PolarHBondContact N-O 3.5Å
135L98.8Very high98.5Very high30 Ų3046.8 Ų46.816%0.15723%0.227CC..Hα-helixtrans-60.2-46.1176.7-18064.2000111.5P85 E86 L89 R131 E138 K139P85-L135 HydrophobicContact CB-CD2 3.71Å; E86-L135 WeakPolarHBondContact OE1-CD2 3.37Å; L89-L135 HydrophobicContact CB-CD2 4.35Å; L89-L135 HydrophobicContact CD2-CD1 4.15Å; L89-L135 HydrophobicContact CD2-CD2 4.13Å; L89-L135 HydrophobicContact CD2-CG 3.96Å; R131-L135 WeakPolarHBondContact O-CB 3.04Å; R131-L135 PolarHBondContact O-N 3.07Å; R131-L135 VanDerWaalsContact O-N 3.1Å; L135-E138 PolarHBondContact O-N 3.23Å; L135-K139 HydrophobicContact CD1-CG 3.95Å; L135-K139 WeakPolarHBondContact O-CB 3.09Å; L135-K139 WeakPolarHBondContact O-CG 3.44Å; L135-K139 PolarHBondContact O-N 3.41Å; L135-K139 VanDerWaalsContact O-N 3.1Å
136A98.6Very high98.6Very high1 Ų143.6 Ų43.61%0.00821%0.212CC..Hα-helixtrans-63.7-41.8176.400000111.9F88 M132 S134 E138 L140 V144F88-A136 HydrophobicContact CD1-CB 3.96Å; F88-A136 HydrophobicContact CE1-CB 3.53Å; F88-A136 HydrophobicContact CZ-CB 4.35Å; M132-A136 VanDerWaalsContact O-CB 3.26Å; M132-A136 WeakPolarHBondContact O-CB 3.4Å; M132-A136 PolarHBondContact O-N 2.93Å; S134-A136 PolarHBondContact O-N 3.21Å; A136-E138 PolarHBondContact O-N 2.94Å; A136-L140 HydrophobicContact CB-CD1 3.89Å; A136-L140 VanDerWaalsContact O-CB 3.24Å; A136-L140 WeakPolarHBondContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CD1 3.5Å; A136-L140 WeakPolarHBondContact O-CG 3.5Å; A136-L140 PolarHBondContact O-N 3.14Å; A136-V144 HydrophobicContact CB-CG2 3.86Å
137N98.4Very high98.6Very high35 Ų3540.5 Ų40.519%0.18720%0.201CC..Hα-helixtrans-67.4-36.2179.2-175.850000112.6K3 V133 S134 V144 G168K3-N137 WeakPolarHBondContact CE-OD1 3.5Å; K3-N137 PolarHBondContact NZ-O 3.43Å; K3-N137 PolarHBondContact NZ-OD1 3.45Å; V133-N137 VanDerWaalsContact O-CB 3.23Å; V133-N137 WeakPolarHBondContact O-CB 3.47Å; V133-N137 PolarHBondContact O-N 2.97Å; S134-N137 PolarHBondContact O-N 3.09Å; N137-V144 HydrophobicContact CB-CG2 4.38Å; N137-G168 PolarHBondContact OD1-O 2.91Å
138E98.1Very high98.6Very high135 Ų13533.9 Ų33.963%0.63117%0.17SC*.Hα-helixtrans-68.4-42.8177.2-165.2-157.813800112.4S134 L135 A136S134-E138 WeakPolarHBondContact O-CB 3.45Å; S134-E138 PolarHBondContact O-N 3.02Å; L135-E138 PolarHBondContact O-N 3.23Å; A136-E138 PolarHBondContact O-N 2.94Å
139K98.3Very high98.6Very high113 Ų11333.4 Ų33.449%0.49117%0.167SC..Hα-helixtrans-95.7-23.1-168.1-57.5-54.3-173.9-1670115.4L89 L135L89-K139 HydrophobicContact CD1-CB 3.6Å; L89-K139 HydrophobicContact CD1-CG 4.32Å; L89-K139 HydrophobicContact CD2-CB 4.06Å; L89-K139 HydrophobicContact CD2-CG 3.91Å; L89-K139 HydrophobicContact CG-CB 4.5Å; L135-K139 HydrophobicContact CD1-CG 3.95Å; L135-K139 WeakPolarHBondContact O-CB 3.09Å; L135-K139 WeakPolarHBondContact O-CG 3.44Å; L135-K139 PolarHBondContact O-N 3.41Å; L135-K139 VanDerWaalsContact O-N 3.1Å
140L98.2Very high98.6Very high6 Ų633.5 Ų33.53%0.03117%0.167CC..  trans-85.7142.1-178-63.4168.1000112.4K3 L89 A92 V93 I102 A136 V142 V144K3-L140 PolarHBondContact NZ-O 3.24Å; L89-L140 HydrophobicContact CD1-CD2 4.13Å; L89-L140 HydrophobicContact CD1-CG 4.19Å; A92-L140 HydrophobicContact CB-CD1 3.6Å; A92-L140 HydrophobicContact CB-CD2 3.66Å; A92-L140 HydrophobicContact CB-CG 4.24Å; V93-L140 HydrophobicContact CB-CD2 4.49Å; V93-L140 HydrophobicContact CG2-CD2 3.75Å; I102-L140 HydrophobicContact CB-CD1 4.32Å; I102-L140 HydrophobicContact CG1-CD1 4.15Å; A136-L140 HydrophobicContact CB-CD1 3.89Å; A136-L140 VanDerWaalsContact O-CB 3.24Å; A136-L140 WeakPolarHBondContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CD1 3.5Å; A136-L140 WeakPolarHBondContact O-CG 3.5Å; A136-L140 PolarHBondContact O-N 3.14Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-V144 HydrophobicContact CD1-CG2 3.83Å
141S97.4Very high98.6Very high73 Ų7330.3 Ų30.351%0.5115%0.152SC..SBendtrans-69.4-32.7174.4640000112.4Q96Q96-S141 PolarHBondContact OE1-OG 2.99Å; Q96-S141 VanDerWaalsContact OE1-OG 3.1Å
142V97.8Very high98.5Very high19 Ų1932 Ų3212%0.11516%0.163CC..SBendtrans-93.6152.3179.3-57.90000112.6K3 Q96 I102 L140K3-V142 VanDerWaalsContact CE-C 3.5Å; K3-V142 WeakPolarHBondContact CE-O 3.43Å; K3-V142 PolarHBondContact NZ-O 3.31Å; Q96-V142 HydrophobicContact CB-CG1 4.29Å; Q96-V142 HydrophobicContact CB-CG2 3.76Å; I102-V142 HydrophobicContact CG1-CG2 3.78Å; L140-V142 VanDerWaalsContact C-N 3.34Å
143P98.6Very high98.5Very high9 Ų936.5 Ų36.56%0.05818%0.184CC..  trans-55.5151.2174.5-32.242.5000114.6K3 L4 F9 A101 I102 Q170K3-P143 HydrophobicContact CG-CG 4.4Å; L4-P143 WeakPolarHBondContact O-CG 3.18Å; F9-P143 HydrophobicContact CB-CG 4.38Å; F9-P143 HydrophobicContact CD1-CB 4.11Å; F9-P143 HydrophobicContact CD1-CG 4.38Å; F9-P143 HydrophobicContact CD2-CB 4.03Å; F9-P143 HydrophobicContact CD2-CG 3.55Å; F9-P143 HydrophobicContact CE1-CB 4.07Å; F9-P143 HydrophobicContact CE2-CB 3.98Å; F9-P143 HydrophobicContact CE2-CG 3.82Å; F9-P143 HydrophobicContact CG-CB 4.09Å; F9-P143 HydrophobicContact CG-CG 3.85Å; F9-P143 HydrophobicContact CZ-CB 4.01Å; F9-P143 HydrophobicContact CZ-CG 4.36Å; A101-P143 WeakPolarHBondContact CA-O 3.32Å; A101-P143 HydrophobicContact CB-CB 4.31Å; A101-P143 VanDerWaalsContact CB-O 3.31Å; A101-P143 WeakPolarHBondContact CB-O 3.38Å; I102-P143 PolarHBondContact N-O 3.1Å; P143-Q170 HydrophobicContact CB-CB 4.01Å; P143-Q170 HydrophobicContact CB-CG 4.02Å
144V98.8Very high98.5Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-105.9131.8173.5178.50000109.2I102 V133 A136 N137 L140 Q170I102-V144 CarbonylContact O-C 3.59Å; I102-V144 VanDerWaalsContact O-CA 3.31Å; I102-V144 WeakPolarHBondContact O-CA 3.45Å; V133-V144 HydrophobicContact CG1-CG1 4.39Å; A136-V144 HydrophobicContact CB-CG2 3.86Å; N137-V144 HydrophobicContact CB-CG2 4.38Å; L140-V144 HydrophobicContact CD1-CG2 3.83Å; V144-Q170 PolarHBondContact O-N 2.98Å
145T98.9Very high98.5Very high0 Ų041.2 Ų41.20%020%0.201CC..EExtended strand (participates in β ladder)trans-119.1166.7176.269.70000110.3F9 I77 A101 I102 D103 L104 L171F9-T145 HydrophobicContact CE1-CG2 3.99Å; F9-T145 HydrophobicContact CZ-CG2 4.35Å; I77-T145 HydrophobicContact CD1-CG2 4.49Å; A101-T145 HydrophobicContact CB-CG2 4.1Å; I102-T145 PolarHBondContact O-N 3.28Å; D103-T145 WeakPolarHBondContact CA-O 3.26Å; D103-T145 WeakPolarHBondContact CA-OG1 3.31Å; D103-T145 WeakPolarHBondContact CB-OG1 3.48Å; D103-T145 WeakPolarHBondContact OD1-CB 3.49Å; D103-T145 PolarHBondContact OD1-OG1 2.91Å; L104-T145 PolarHBondContact N-O 3.41Å; T145-L171 WeakPolarHBondContact CA-O 3.2Å; T145-L171 VanDerWaalsContact CB-O 3.27Å; T145-L171 WeakPolarHBondContact CB-O 3.45Å; T145-L171 HydrophobicContact CG2-CB 3.78Å; T145-L171 HydrophobicContact CG2-CD2 4.49Å
146C98.9Very high98.5Very high0 Ų042.7 Ų42.70%021%0.206CC..EExtended strand (participates in β ladder)trans-134.9143.1175.2-73.10000111.4D103 L106 L164 C169 L171 L172 T173D103-C146 VanDerWaalsContact OD1-CA 3.31Å; D103-C146 WeakPolarHBondContact OD1-CA 3.5Å; D103-C146 PolarHBondContact OD1-N 2.85Å; D103-C146 VanDerWaalsContact OD1-N 3.15Å; L106-C146 HydrophobicContact CD1-CB 4.39Å; C146-L164 HydrophobicContact CB-CD1 4.29Å; C146-C169 PolarHBondContact N-SG 3.2Å; C146-L171 PolarHBondContact N-O 2.98Å; C146-L172 HydrophobicContact CB-CD1 3.9Å; C146-T173 PolarHBondContact O-N 2.97Å
147K98.9Very high98.5Very high12 Ų1242.6 Ų42.65%0.05221%0.205CC..EExtended strand (participates in β ladder)trans-116.3107.2170.8-172.1174.6-162.8-54.40111.8P23 D103 L104 L106 G107 T173 N208 M230P23-K147 HydrophobicContact CG-CD 3.82Å; D103-K147 PolarHBondContact OD1-N 2.98Å; D103-K147 WeakPolarHBondContact OD2-CB 3.47Å; L104-K147 PolarHBondContact O-N 2.65Å; L104-K147 VanDerWaalsContact O-N 3.1Å; L106-K147 CarbonylContact C-O 3.55Å; L106-K147 VanDerWaalsContact C-O 3.24Å; L106-K147 WeakPolarHBondContact CA-O 3.46Å; L106-K147 PolarHBondContact N-O 2.71Å; G107-K147 PolarHBondContact N-O 2.68Å; K147-T173 CarbonylContact C-O 3.56Å; K147-T173 WeakPolarHBondContact CA-O 3.39Å; K147-T173 HydrophobicContact CD-CG2 4.2Å; K147-T173 HydrophobicContact CG-CG2 3.9Å; K147-N208 PolarHBondContact NZ-OD1 2.82Å; K147-M230 HydrophobicContact CD-SD 4.13Å; K147-M230 WeakPolarHBondContact CE-SD 3.24Å
148I98.9Very high98.5Very high0 Ų042.1 Ų42.10%020%0.204CC..EExtended strand (participates in β ladder)trans-102.2164.4-175.165.6168.8000113.7L106 Y160 L164 L172 T173 V174 H175L106-I148 HydrophobicContact CB-CG2 4.02Å; L106-I148 HydrophobicContact CD1-CG2 4.3Å; I148-Y160 HydrophobicContact CB-CE1 3.92Å; I148-Y160 HydrophobicContact CD1-CD1 4.11Å; I148-Y160 HydrophobicContact CD1-CE1 4.17Å; I148-Y160 HydrophobicContact CG2-CD1 4.49Å; I148-Y160 HydrophobicContact CG2-CE1 3.62Å; I148-L164 HydrophobicContact CG2-CD1 3.53Å; I148-L172 HydrophobicContact CD1-CD1 4.23Å; I148-L172 HydrophobicContact CD1-CD2 4.18Å; I148-L172 HydrophobicContact CD1-CG 4.46Å; I148-L172 HydrophobicContact CG1-CD1 4.14Å; I148-L172 HydrophobicContact CG2-CD1 3.96Å; I148-T173 PolarHBondContact N-O 3.03Å; I148-V174 HydrophobicContact CD1-CG1 4.29Å; I148-V174 HydrophobicContact CD1-CG2 4.11Å; I148-V174 HydrophobicContact CG1-CB 4.36Å; I148-V174 HydrophobicContact CG1-CG1 4.24Å; I148-V174 HydrophobicContact CG1-CG2 4.13Å; I148-H175 WeakPolarHBondContact O-CB 3.28Å; I148-H175 PolarHBondContact O-N 3.03Å
149R98.7Very high98.5Very high13 Ų1342.6 Ų42.65%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-106.5161.4153.2-85.3-173.7-179.8-117.5-6.4109.8G107 V120 H175 R177 T178 Q181G107-R149 WeakPolarHBondContact O-CD 3.4Å; G107-R149 WeakPolarHBondContact O-CG 3.42Å; G107-R149 PolarHBondContact O-NE 3.1Å; V120-R149 HydrophobicContact CG2-CB 3.78Å; V120-R149 HydrophobicContact CG2-CG 4.46Å; R149-H175 HydrophobicContact CG-CB 4.13Å; R149-H175 PolarHBondContact NH2-NE2 3.46Å; R149-R177 VanDerWaalsContact CB-O 3.24Å; R149-R177 WeakPolarHBondContact CB-O 3.48Å; R149-R177 VanDerWaalsContact CD-O 3.31Å; R149-R177 WeakPolarHBondContact CD-O 3.28Å; R149-R177 WeakPolarHBondContact CG-O 3.42Å; R149-T178 PolarHBondContact NH1-O 3.11Å; R149-Q181 PolarHBondContact NH1-O 2.67Å
150V98.7Very high98.6Very high2 Ų237.2 Ų37.21%0.01218%0.176CC..  trans-86158.1-179-57.20000112.7T157 V174 H175 T178 H193V150-T157 HydrophobicContact CB-CG2 3.82Å; V150-T157 HydrophobicContact CG1-CG2 3.7Å; V150-V174 HydrophobicContact CG1-CG1 3.64Å; V150-H175 PolarHBondContact N-O 3.47Å; V150-T178 HydrophobicContact CG2-CG2 4.31Å; V150-T178 WeakPolarHBondContact O-CA 3.45Å; V150-H193 HydrophobicContact CB-CB 4.34Å; V150-H193 HydrophobicContact CG1-CB 3.86Å
151F98.6Very high98.6Very high11 Ų1137 Ų375%0.04818%0.175CC..  trans-77.2-178.5163.4-72.4-83.3000110.7Q123 D124 E153 K156 T157 Y160 T178 H193Q123-F151 HydrophobicContact CB-CZ 3.98Å; Q123-F151 HydrophobicContact CG-CE1 3.88Å; Q123-F151 HydrophobicContact CG-CZ 3.79Å; Q123-F151 WeakPolarHBondContact O-CZ 3.21Å; D124-F151 VanDerWaalsContact OD1-CE1 3.31Å; D124-F151 WeakPolarHBondContact OD1-CE1 3.21Å; F151-E153 VanDerWaalsContact C-N 3.32Å; F151-K156 HydrophobicContact CB-CB 4.21Å; F151-K156 HydrophobicContact CB-CD 4.4Å; F151-K156 HydrophobicContact CB-CG 4.41Å; F151-K156 HydrophobicContact CD1-CD 3.65Å; F151-K156 HydrophobicContact CD1-CG 4.23Å; F151-K156 HydrophobicContact CD2-CB 4.27Å; F151-K156 HydrophobicContact CD2-CD 4.16Å; F151-K156 HydrophobicContact CD2-CG 3.8Å; F151-K156 HydrophobicContact CE1-CD 3.87Å; F151-K156 HydrophobicContact CE1-CG 4.48Å; F151-K156 VanDerWaalsContact CE1-NZ 3.34Å; F151-K156 HydrophobicContact CE2-CD 4.34Å; F151-K156 HydrophobicContact CE2-CG 4.08Å; F151-K156 HydrophobicContact CG-CB 4.21Å; F151-K156 HydrophobicContact CG-CD 3.8Å; F151-K156 HydrophobicContact CG-CG 3.88Å; F151-K156 HydrophobicContact CZ-CD 4.2Å; F151-K156 VanDerWaalsContact CZ-CE 3.5Å; F151-K156 HydrophobicContact CZ-CG 4.4Å; F151-T157 WeakPolarHBondContact CB-OG1 3.35Å; F151-T157 PolarHBondContact N-OG1 3.1Å; F151-Y160 HydrophobicContact CD2-CD1 4.39Å; F151-Y160 AromaticContact CE2-CD1 3.79Å; F151-Y160 HydrophobicContact CE2-CD1 3.79Å; F151-Y160 HydrophobicContact CE2-CE1 4.43Å; F151-Y160 AromaticContact CE2-CG 3.87Å; F151-Y160 HydrophobicContact CE2-CG 3.87Å; F151-T178 WeakPolarHBondContact O-CG2 3.43Å; F151-H193 PolarHBondContact O-NE2 3.25Å
152K97.3Very high98.7Very high159 Ų15937.4 Ų37.469%0.69117%0.169SC*.SBendtrans-74.9-31.4168.6-69.1-178.1177.6-176.70110.9T178 H193K152-T178 HydrophobicContact CG-CG2 4.18Å; K152-H193 PolarHBondContact O-NE2 2.61Å
153E98.4Very high98.7Very high95 Ų9537 Ų3744%0.44417%0.166SC..SBendtrans-94.5127.9-177.8-49.875.1-166.100110F151 E155 K156 T157F151-E153 VanDerWaalsContact C-N 3.32Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E153-E155 PolarHBondContact O-N 3.41Å; E153-K156 HydrophobicContact CB-CB 4.06Å; E153-K156 PolarHBondContact O-N 2.88Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 VanDerWaalsContact O-N 3.13Å; E153-T157 PolarHBondContact O-OG1 3.01Å
154I98.8Very high98.7Very high35 Ų3536.6 Ų36.618%0.17916%0.163CC..Hα-helixtrans-63.3-43.4179.7-67.7172.9000109.8K156 T157 V158 E192 H193 A196I154-K156 VanDerWaalsContact C-N 3.29Å; I154-K156 PolarHBondContact O-N 3.32Å; I154-T157 CarbonylContact O-C 3.14Å; I154-T157 WeakPolarHBondContact O-CA 3.44Å; I154-T157 WeakPolarHBondContact O-CB 3.27Å; I154-T157 PolarHBondContact O-N 2.99Å; I154-T157 VanDerWaalsContact O-N 3.09Å; I154-V158 HydrophobicContact CG2-CG2 4.28Å; I154-V158 WeakPolarHBondContact O-CG2 3.43Å; I154-V158 PolarHBondContact O-N 2.79Å; I154-E192 HydrophobicContact CD1-CG 3.86Å; I154-H193 VanDerWaalsContact CG1-CE1 3.41Å; I154-H193 WeakPolarHBondContact CG1-CE1 3.15Å; I154-H193 WeakPolarHBondContact CG1-NE2 3.41Å; I154-A196 HydrophobicContact CG2-CB 3.37Å
155E98.7Very high98.7Very high117 Ų11738.4 Ų38.455%0.54717%0.172SC..Hα-helixtrans-68.1-28.1-176.1-56.470.4-154.200112.4E153 R159E153-E155 VanDerWaalsContact C-N 3.34Å; E153-E155 PolarHBondContact O-N 3.41Å; E155-R159 WeakPolarHBondContact O-CG 3.31Å; E155-R159 PolarHBondContact O-N 3.11Å; E155-R159 PolarHBondContact O-NE 3.45Å
156K98.7Very high98.7Very high61 Ų6146.8 Ų46.827%0.26521%0.208SC..Hα-helixtrans-76.4-39.1172.6-169.8174.8175.3-175.90110.5D124 W126 F151 E153 I154 Y160D124-K156 IonicContact OD1-NZ 2.72Å; D124-K156 PolarHBondContact OD1-NZ 3.5Å; W126-K156 HydrophobicContact CZ2-CG 4.16Å; F151-K156 HydrophobicContact CB-CB 4.21Å; F151-K156 HydrophobicContact CB-CD 4.4Å; F151-K156 HydrophobicContact CB-CG 4.41Å; F151-K156 HydrophobicContact CD1-CD 3.65Å; F151-K156 HydrophobicContact CD1-CG 4.23Å; F151-K156 HydrophobicContact CD2-CB 4.27Å; F151-K156 HydrophobicContact CD2-CD 4.16Å; F151-K156 HydrophobicContact CD2-CG 3.8Å; F151-K156 HydrophobicContact CE1-CD 3.87Å; F151-K156 HydrophobicContact CE1-CG 4.48Å; F151-K156 VanDerWaalsContact CE1-NZ 3.34Å; F151-K156 HydrophobicContact CE2-CD 4.34Å; F151-K156 HydrophobicContact CE2-CG 4.08Å; F151-K156 HydrophobicContact CG-CB 4.21Å; F151-K156 HydrophobicContact CG-CD 3.8Å; F151-K156 HydrophobicContact CG-CG 3.88Å; F151-K156 HydrophobicContact CZ-CD 4.2Å; F151-K156 VanDerWaalsContact CZ-CE 3.5Å; F151-K156 HydrophobicContact CZ-CG 4.4Å; E153-K156 HydrophobicContact CB-CB 4.06Å; E153-K156 PolarHBondContact O-N 2.88Å; I154-K156 VanDerWaalsContact C-N 3.29Å; I154-K156 PolarHBondContact O-N 3.32Å; K156-Y160 VanDerWaalsContact O-CB 3.26Å; K156-Y160 WeakPolarHBondContact O-CB 3.37Å; K156-Y160 PolarHBondContact O-N 3.09Å
157T98.8Very high98.7Very high0 Ų047.4 Ų47.40%021%0.213CC..Hα-helixtrans-62.7-42.4174.2-54.60000112.2V150 F151 E153 I154 Y160 A161 V197V150-T157 HydrophobicContact CB-CG2 3.82Å; V150-T157 HydrophobicContact CG1-CG2 3.7Å; F151-T157 WeakPolarHBondContact CB-OG1 3.35Å; F151-T157 PolarHBondContact N-OG1 3.1Å; E153-T157 PolarHBondContact O-N 3.28Å; E153-T157 VanDerWaalsContact O-N 3.13Å; E153-T157 PolarHBondContact O-OG1 3.01Å; I154-T157 CarbonylContact O-C 3.14Å; I154-T157 WeakPolarHBondContact O-CA 3.44Å; I154-T157 WeakPolarHBondContact O-CB 3.27Å; I154-T157 PolarHBondContact O-N 2.99Å; I154-T157 VanDerWaalsContact O-N 3.09Å; T157-Y160 PolarHBondContact O-N 2.99Å; T157-A161 PolarHBondContact O-N 2.63Å; T157-V197 HydrophobicContact CG2-CG2 3.72Å
158V98.9Very high98.7Very high25 Ų2547.2 Ų47.215%0.15221%0.214CC..Hα-helixtrans-63.1-50.3176.1165.70000111.4I154 Y160 A161 Q162 A196 V197 A200I154-V158 HydrophobicContact CG2-CG2 4.28Å; I154-V158 WeakPolarHBondContact O-CG2 3.43Å; I154-V158 PolarHBondContact O-N 2.79Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 PolarHBondContact O-N 3.26Å; V158-A161 PolarHBondContact O-N 2.7Å; V158-A161 VanDerWaalsContact O-N 3.15Å; V158-Q162 WeakPolarHBondContact O-CG 3.49Å; V158-Q162 PolarHBondContact O-N 3.15Å; V158-A196 HydrophobicContact CG2-CB 4.07Å; V158-V197 HydrophobicContact CG2-CG2 4.41Å; V158-A200 HydrophobicContact CB-CB 4.5Å; V158-A200 HydrophobicContact CG1-CB 3.47Å; V158-A200 VanDerWaalsContact CG1-CB 3.47Å; V158-A200 HydrophobicContact CG2-CB 4.33Å
159R98.9Very high98.7Very high145 Ų14547.2 Ų47.255%0.54721%0.214SC..Hα-helixtrans-59.6-38.6177-78.6179.1-81.4-178-9.5112.6W126 E155 Q162 M163W126-R159 HydrophobicContact CH2-CB 3.9Å; W126-R159 HydrophobicContact CZ3-CB 4.32Å; E155-R159 WeakPolarHBondContact O-CG 3.31Å; E155-R159 PolarHBondContact O-N 3.11Å; E155-R159 PolarHBondContact O-NE 3.45Å; R159-Q162 PolarHBondContact O-N 3.04Å; R159-M163 PolarHBondContact O-N 3.18Å
160Y98.8Very high98.7Very high0 Ų047.2 Ų47.20%022%0.215CC..Hα-helixtrans-63.9-42.4175.1177.5-132.3000112.7W126 L129 I148 F151 K156 T157 V158 M163 L164W126-Y160 AromaticContact NE1-CD2 3.61Å; L129-Y160 HydrophobicContact CD1-CE2 3.6Å; I148-Y160 HydrophobicContact CB-CE1 3.92Å; I148-Y160 HydrophobicContact CD1-CD1 4.11Å; I148-Y160 HydrophobicContact CD1-CE1 4.17Å; I148-Y160 HydrophobicContact CG2-CD1 4.49Å; I148-Y160 HydrophobicContact CG2-CE1 3.62Å; F151-Y160 HydrophobicContact CD2-CD1 4.39Å; F151-Y160 AromaticContact CE2-CD1 3.79Å; F151-Y160 HydrophobicContact CE2-CD1 3.79Å; F151-Y160 HydrophobicContact CE2-CE1 4.43Å; F151-Y160 AromaticContact CE2-CG 3.87Å; F151-Y160 HydrophobicContact CE2-CG 3.87Å; K156-Y160 VanDerWaalsContact O-CB 3.26Å; K156-Y160 WeakPolarHBondContact O-CB 3.37Å; K156-Y160 PolarHBondContact O-N 3.09Å; T157-Y160 PolarHBondContact O-N 2.99Å; V158-Y160 VanDerWaalsContact C-N 3.27Å; V158-Y160 PolarHBondContact O-N 3.26Å; Y160-M163 HydrophobicContact CD2-CE 3.52Å; Y160-M163 HydrophobicContact CE2-CE 3.59Å; Y160-M163 PolarHBondContact O-N 3.47Å; Y160-L164 HydrophobicContact CE1-CD1 4.38Å; Y160-L164 HydrophobicContact CE2-CD1 4.07Å; Y160-L164 HydrophobicContact CE2-CG 4.32Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 2.7Å
161A98.9Very high98.7Very high0 Ų047.1 Ų47.10%022%0.215CC..Hα-helixtrans-64.4-42.9175.100000112.6T157 V158 M163 L164 E165 L172 V197 V201T157-A161 PolarHBondContact O-N 2.63Å; V158-A161 PolarHBondContact O-N 2.7Å; V158-A161 VanDerWaalsContact O-N 3.15Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.43Å; A161-L164 PolarHBondContact O-N 3.46Å; A161-E165 PolarHBondContact O-N 2.78Å; A161-L172 HydrophobicContact CB-CD2 3.5Å; A161-V197 HydrophobicContact CB-CB 4.44Å; A161-V197 HydrophobicContact CB-CG1 3.56Å; A161-V197 HydrophobicContact CB-CG2 4.1Å; A161-V201 HydrophobicContact CB-CG1 4.03Å
162Q98.9Very high98.7Very high83 Ų8346.6 Ų46.639%0.38821%0.212SC..Hα-helixtrans-65.6-35.1177.3-71.5175.8-33.200112.7V158 R159 K166 A200 V201V158-Q162 WeakPolarHBondContact O-CG 3.49Å; V158-Q162 PolarHBondContact O-N 3.15Å; R159-Q162 PolarHBondContact O-N 3.04Å; Q162-K166 VanDerWaalsContact O-CB 3.31Å; Q162-K166 WeakPolarHBondContact O-CB 3.39Å; Q162-K166 PolarHBondContact O-N 3.26Å; Q162-A200 PolarHBondContact NE2-O 3.15Å; Q162-V201 HydrophobicContact CG-CG1 4.13Å
163M98.8Very high98.8Very high11 Ų1139 Ų395%0.05418%0.179CC..Hα-helixtrans-60.4-48.7171.2173.9-80.7-68.900111.2W126 L129 E130 R159 Y160 A161 E165 K166 A167W126-M163 HydrophobicContact CB-CE 4.11Å; W126-M163 HydrophobicContact CG-CE 4.06Å; L129-M163 HydrophobicContact CB-CE 3.97Å; L129-M163 HydrophobicContact CB-SD 4.4Å; L129-M163 HydrophobicContact CD1-CE 4.22Å; E130-M163 HydrophobicContact CB-SD 4.49Å; E130-M163 HydrophobicContact CG-CG 3.53Å; E130-M163 HydrophobicContact CG-SD 3.45Å; E130-M163 WeakPolarHBondContact CG-SD 3.48Å; E130-M163 VanDerWaalsContact OE1-CG 3.27Å; E130-M163 WeakPolarHBondContact OE1-CG 3.27Å; R159-M163 PolarHBondContact O-N 3.18Å; Y160-M163 HydrophobicContact CD2-CE 3.52Å; Y160-M163 HydrophobicContact CE2-CE 3.59Å; Y160-M163 PolarHBondContact O-N 3.47Å; A161-M163 VanDerWaalsContact C-N 3.35Å; A161-M163 PolarHBondContact O-N 3.43Å; M163-E165 PolarHBondContact O-N 3.17Å; M163-K166 PolarHBondContact O-N 2.97Å; M163-A167 WeakPolarHBondContact O-CB 3.4Å; M163-A167 PolarHBondContact O-N 3.45Å
164L98.9Very high98.8Very high0 Ų034.5 Ų34.50%016%0.158CC..Hα-helixtrans-64.1-41179.9-67.4171000111.9L106 L129 V133 C146 I148 Y160 A161 A167 G168 C169 L172L106-L164 HydrophobicContact CD1-CD1 4.1Å; L106-L164 HydrophobicContact CD1-CD2 3.88Å; L129-L164 HydrophobicContact CB-CD2 4.34Å; V133-L164 HydrophobicContact CG2-CD2 4.09Å; C146-L164 HydrophobicContact CB-CD1 4.29Å; I148-L164 HydrophobicContact CG2-CD1 3.53Å; Y160-L164 HydrophobicContact CE1-CD1 4.38Å; Y160-L164 HydrophobicContact CE2-CD1 4.07Å; Y160-L164 HydrophobicContact CE2-CG 4.32Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 2.7Å; A161-L164 PolarHBondContact O-N 3.46Å; L164-A167 PolarHBondContact O-N 2.97Å; L164-G168 PolarHBondContact O-N 2.95Å; L164-C169 HydrophobicContact CB-CB 4.23Å; L164-C169 WeakPolarHBondContact O-CB 3.38Å; L164-C169 PolarHBondContact O-N 3.02Å; L164-L172 HydrophobicContact CD1-CD1 4.05Å
165E98.9Very high98.8Very high37 Ų3734.4 Ų34.417%0.17316%0.157CC..Hα-helixtrans-57.9-52.9172.2173.6173-128.900111.3A161 M163 A167 G168 V201 N202 I203A161-E165 PolarHBondContact O-N 2.78Å; M163-E165 PolarHBondContact O-N 3.17Å; E165-A167 VanDerWaalsContact C-N 3.26Å; E165-A167 PolarHBondContact O-N 2.87Å; E165-G168 WeakPolarHBondContact O-CA 3.26Å; E165-G168 PolarHBondContact O-N 2.87Å; E165-V201 WeakPolarHBondContact OE2-CA 3.37Å; E165-V201 WeakPolarHBondContact OE2-CB 3.39Å; E165-N202 VanDerWaalsContact OE1-CA 3.26Å; E165-N202 WeakPolarHBondContact OE1-CA 3.26Å; E165-N202 WeakPolarHBondContact OE1-CB 3.35Å; E165-N202 PolarHBondContact OE1-N 3.1Å; E165-I203 HydrophobicContact CB-CD1 4.06Å; E165-I203 HydrophobicContact CG-CD1 4.32Å; E165-I203 HydrophobicContact CG-CG1 4.37Å; E165-I203 HydrophobicContact CG-CG2 4.23Å; E165-I203 PolarHBondContact OE1-N 3.48Å
166K98.8Very high98.8Very high177 Ų17728.9 Ų28.977%0.7713%0.131SC*.Hα-helixtrans-59.5-35.6178.8-176.7-171171.4-1600112.4Q162 M163 G168Q162-K166 VanDerWaalsContact O-CB 3.31Å; Q162-K166 WeakPolarHBondContact O-CB 3.39Å; Q162-K166 PolarHBondContact O-N 3.26Å; M163-K166 PolarHBondContact O-N 2.97Å; K166-G168 PolarHBondContact O-N 3.08Å
167A98.8Very high98.8Very high12 Ų1227.3 Ų27.310%0.09912%0.124CC..THydrogen-bonded Turntrans-69.5-11.3175.300000113.4E130 V133 S134 M163 L164 E165E130-A167 HydrophobicContact CG-CB 4.45Å; V133-A167 CarbonylContact C-O 3.59Å; V133-A167 HydrophobicContact CB-CB 3.91Å; V133-A167 HydrophobicContact CG1-CB 3.92Å; S134-A167 WeakPolarHBondContact CA-O 3.43Å; S134-A167 WeakPolarHBondContact CB-O 3.28Å; S134-A167 PolarHBondContact N-O 3.5Å; M163-A167 WeakPolarHBondContact O-CB 3.4Å; M163-A167 PolarHBondContact O-N 3.45Å; L164-A167 PolarHBondContact O-N 2.97Å; E165-A167 VanDerWaalsContact C-N 3.26Å; E165-A167 PolarHBondContact O-N 2.87Å
168G98.6Very high98.7Very high8 Ų828.2 Ų28.28%0.08213%0.129CC..THydrogen-bonded Turntrans111.213176.200000115.2N137 L164 E165 K166 Q170N137-G168 PolarHBondContact OD1-O 2.91Å; L164-G168 PolarHBondContact O-N 2.95Å; E165-G168 WeakPolarHBondContact O-CA 3.26Å; E165-G168 PolarHBondContact O-N 2.87Å; K166-G168 PolarHBondContact O-N 3.08Å; G168-Q170 PolarHBondContact O-N 3.15Å; G168-Q170 PolarHBondContact O-NE2 3.42Å
169C98.8Very high98.6Very high0 Ų030 Ų300%014%0.135CC..  trans-61.2130.2168.5-175.10000110.3V133 C146 L164 L171 I203V133-C169 HydrophobicContact CG1-CB 4.22Å; C146-C169 PolarHBondContact N-SG 3.2Å; L164-C169 HydrophobicContact CB-CB 4.23Å; L164-C169 WeakPolarHBondContact O-CB 3.38Å; L164-C169 PolarHBondContact O-N 3.02Å; C169-L171 PolarHBondContact SG-O 3.33Å; C169-I203 HydrophobicContact CB-CD1 4.33Å; C169-I203 WeakPolarHBondContact O-CD1 3.4Å
170Q98.8Very high98.4Very high14 Ų1427.4 Ų27.47%0.06513%0.132CC..SBendtrans-101.3-14.1-174.7-60.3-54.6-59.100113.7G6 F9 P143 V144 G168G6-Q170 WeakPolarHBondContact CA-O 3.41Å; F9-Q170 HydrophobicContact CD1-CB 4.16Å; P143-Q170 HydrophobicContact CB-CB 4.01Å; P143-Q170 HydrophobicContact CB-CG 4.02Å; V144-Q170 PolarHBondContact O-N 2.98Å; G168-Q170 PolarHBondContact O-N 3.15Å; G168-Q170 PolarHBondContact O-NE2 3.42Å
171L98.9Very high98Very high0 Ų029.6 Ų29.60%014%0.142CC..  trans-158.1134.8173.4179.7150.7000109.1F9 L14 T145 C146 C169 P204 F206F9-L171 HydrophobicContact CE1-CB 4.11Å; F9-L171 HydrophobicContact CE1-CD1 4.49Å; L14-L171 HydrophobicContact CD1-CD1 3.71Å; T145-L171 WeakPolarHBondContact CA-O 3.2Å; T145-L171 VanDerWaalsContact CB-O 3.27Å; T145-L171 WeakPolarHBondContact CB-O 3.45Å; T145-L171 HydrophobicContact CG2-CB 3.78Å; T145-L171 HydrophobicContact CG2-CD2 4.49Å; C146-L171 PolarHBondContact N-O 2.98Å; C169-L171 PolarHBondContact SG-O 3.33Å; L171-P204 WeakPolarHBondContact CA-O 3.39Å; L171-P204 HydrophobicContact CD1-CB 4.01Å; L171-P204 HydrophobicContact CG-CB 4.18Å; L171-F206 HydrophobicContact CD1-CD2 4.16Å; L171-F206 HydrophobicContact CD1-CE1 4.13Å; L171-F206 HydrophobicContact CD1-CE2 3.59Å; L171-F206 HydrophobicContact CD1-CZ 3.61Å; L171-F206 HydrophobicContact CD2-CD2 3.63Å; L171-F206 HydrophobicContact CD2-CE2 3.81Å; L171-F206 HydrophobicContact CD2-CG 4.21Å; L171-F206 HydrophobicContact CG-CD2 4.42Å; L171-F206 HydrophobicContact CG-CE2 4.31Å
172L98.9Very high97.6Very high0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-115.7120-177.1-174.967.6000111.7C146 I148 A161 L164 V174 V197 I203 P204 V205 F206C146-L172 HydrophobicContact CB-CD1 3.9Å; I148-L172 HydrophobicContact CD1-CD1 4.23Å; I148-L172 HydrophobicContact CD1-CD2 4.18Å; I148-L172 HydrophobicContact CD1-CG 4.46Å; I148-L172 HydrophobicContact CG1-CD1 4.14Å; I148-L172 HydrophobicContact CG2-CD1 3.96Å; A161-L172 HydrophobicContact CB-CD2 3.5Å; L164-L172 HydrophobicContact CD1-CD1 4.05Å; L172-V174 HydrophobicContact CD2-CG2 4.03Å; L172-V174 HydrophobicContact CG-CG2 4Å; L172-V197 HydrophobicContact CD2-CG1 3.77Å; L172-I203 HydrophobicContact CB-CD1 4.06Å; L172-P204 PolarHBondContact N-O 3.26Å; L172-V205 CarbonylContact O-C 3.53Å; L172-V205 VanDerWaalsContact O-CA 3.29Å; L172-V205 WeakPolarHBondContact O-CA 3.38Å; L172-F206 PolarHBondContact O-N 2.91Å
173T98.9Very high96.9Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-95.3120.8170-60.90000110.4C146 K147 I148 F206 N208 M230C146-T173 PolarHBondContact O-N 2.97Å; K147-T173 CarbonylContact C-O 3.56Å; K147-T173 WeakPolarHBondContact CA-O 3.39Å; K147-T173 HydrophobicContact CD-CG2 4.2Å; K147-T173 HydrophobicContact CG-CG2 3.9Å; I148-T173 PolarHBondContact N-O 3.03Å; T173-F206 CarbonylContact C-O 3.24Å; T173-F206 WeakPolarHBondContact CA-O 3.23Å; T173-F206 HydrophobicContact CG2-CB 4.27Å; T173-N208 HydrophobicContact CG2-CB 4.16Å; T173-M230 HydrophobicContact CG2-CE 3.81Å; T173-M230 HydrophobicContact CG2-SD 3.83Å
174V98.9Very high96Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-108.2113.4-177-172.30000110.5I148 V150 L172 I194 V197 V205 F206 N208I148-V174 HydrophobicContact CD1-CG1 4.29Å; I148-V174 HydrophobicContact CD1-CG2 4.11Å; I148-V174 HydrophobicContact CG1-CB 4.36Å; I148-V174 HydrophobicContact CG1-CG1 4.24Å; I148-V174 HydrophobicContact CG1-CG2 4.13Å; V150-V174 HydrophobicContact CG1-CG1 3.64Å; L172-V174 HydrophobicContact CD2-CG2 4.03Å; L172-V174 HydrophobicContact CG-CG2 4Å; V174-I194 HydrophobicContact CB-CG1 4.25Å; V174-I194 HydrophobicContact CG1-CG1 3.98Å; V174-V197 HydrophobicContact CG2-CB 4.35Å; V174-V197 HydrophobicContact CG2-CG1 3.84Å; V174-V205 HydrophobicContact CG2-CG1 3.93Å; V174-F206 PolarHBondContact N-O 3.2Å; V174-N208 PolarHBondContact O-N 2.71Å
175H98.8Very high95.2Very high32 Ų3239.6 Ų39.615%0.14821%0.212CC..EExtended strand (participates in β ladder)trans-85.7111.2166-172.2173.2000109.5I148 R149 V150 R177 N208I148-H175 WeakPolarHBondContact O-CB 3.28Å; I148-H175 PolarHBondContact O-N 3.03Å; R149-H175 HydrophobicContact CG-CB 4.13Å; R149-H175 PolarHBondContact NH2-NE2 3.46Å; V150-H175 PolarHBondContact N-O 3.47Å; H175-R177 PolarHBondContact O-N 3.02Å; H175-N208 WeakPolarHBondContact CA-O 3.16Å; H175-N208 HydrophobicContact CB-CB 4.28Å; H175-N208 PolarHBondContact CD2-O 3.05Å; H175-N208 VanDerWaalsContact CD2-O 3.26Å
176G98.3Very high94.5Very high1 Ų139.5 Ų39.51%0.0121%0.214CC..SBendtrans-65.321.9-177.800000116.6A189 S190 N208G176-A189 CarbonylContact O-C 3.58Å; G176-A189 VanDerWaalsContact O-CA 3.29Å; G176-A189 WeakPolarHBondContact O-CA 3.37Å; G176-S190 PolarHBondContact O-N 3.05Å; G176-N208 PolarHBondContact N-O 3.36Å
177R97.9Very high94Very high28 Ų2833.2 Ų33.211%0.10620%0.199CC..SBendtrans-118.2138.4176.2-68.4-176.4-172.81471.4110.6R149 H175 Q181 T186 G187 A189 N210R149-R177 VanDerWaalsContact CB-O 3.24Å; R149-R177 WeakPolarHBondContact CB-O 3.48Å; R149-R177 VanDerWaalsContact CD-O 3.31Å; R149-R177 WeakPolarHBondContact CD-O 3.28Å; R149-R177 WeakPolarHBondContact CG-O 3.42Å; H175-R177 PolarHBondContact O-N 3.02Å; R177-Q181 HydrophobicContact CB-CB 3.87Å; R177-Q181 HydrophobicContact CG-CB 4.35Å; R177-T186 WeakPolarHBondContact CD-O 3.31Å; R177-T186 PolarHBondContact NE-O 3.19Å; R177-T186 PolarHBondContact NH1-OG1 2.98Å; R177-G187 PolarHBondContact NE-O 3.19Å; R177-G187 PolarHBondContact NH2-O 3.07Å; R177-A189 HydrophobicContact CG-CB 3.83Å; R177-N210 VanDerWaalsContact NH2-CG 3.34Å; R177-N210 PolarHBondContact NH2-OD1 3.18Å
178T97.9Very high93.7Very high19 Ų1939 Ų3912%0.11723%0.227CC..  trans-66.3169.4175.163.50000113.1R149 V150 F151 K152 D180 Q181R149-T178 PolarHBondContact NH1-O 3.11Å; V150-T178 HydrophobicContact CG2-CG2 4.31Å; V150-T178 WeakPolarHBondContact O-CA 3.45Å; F151-T178 WeakPolarHBondContact O-CG2 3.43Å; K152-T178 HydrophobicContact CG-CG2 4.18Å; T178-D180 PolarHBondContact O-N 2.71Å; T178-Q181 PolarHBondContact O-N 2.7Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.38Å; T178-Q181 PolarHBondContact OG1-N 3.27Å; T178-Q181 PolarHBondContact OG1-OE1 2.59Å; T178-Q181 VanDerWaalsContact OG1-OE1 3.09Å
179K95.8Very high93.6Very high63 Ų6338.8 Ų38.827%0.27423%0.225SC..SBendtrans-60.6-23.5176.371.8-174.8172.3-161.50114.9V120 Q123 D124 K182V120-K179 HydrophobicContact CB-CB 4.31Å; V120-K179 HydrophobicContact CG1-CB 3.62Å; V120-K179 HydrophobicContact CG2-CB 3.66Å; Q123-K179 VanDerWaalsContact NE2-NZ 3.15Å; D124-K179 IonicContact OD2-NZ 2.76Å; K179-K182 PolarHBondContact O-NZ 3.44Å
180D94.3Very high93.6Very high91 Ų9140.5 Ų40.549%0.48724%0.237SC..SBendtrans-91.8-22.7-177-57.7-49.9000112.1T178 K182T178-D180 PolarHBondContact O-N 2.71Å; D180-K182 VanDerWaalsContact C-N 3.31Å; D180-K182 PolarHBondContact O-N 3.49Å
181Q92.1Very high93.5Very high46 Ų4641.2 Ų41.222%0.21524%0.239CC..  trans-71.879.4172.9-79.9175.9-74.900112.3R149 R177 T178 M185 T186 I188R149-Q181 PolarHBondContact NH1-O 2.67Å; R177-Q181 HydrophobicContact CB-CB 3.87Å; R177-Q181 HydrophobicContact CG-CB 4.35Å; T178-Q181 PolarHBondContact O-N 2.7Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.38Å; T178-Q181 PolarHBondContact OG1-N 3.27Å; T178-Q181 PolarHBondContact OG1-OE1 2.59Å; T178-Q181 VanDerWaalsContact OG1-OE1 3.09Å; Q181-M185 VanDerWaalsContact CA-O 3.29Å; Q181-M185 WeakPolarHBondContact CA-O 2.77Å; Q181-T186 WeakPolarHBondContact CB-O 3.48Å; Q181-I188 PolarHBondContact NE2-O 3.5Å
182K88.9Confident93.5Very high64 Ų6447.3 Ų47.328%0.27827%0.267SS..  trans-149.2160.7-178.969.9-164.4171.5-157.20113.3P109 K179 D180 A184 M185P109-K182 HydrophobicContact CB-CD 3.86Å; P109-K182 HydrophobicContact CG-CB 4.21Å; P109-K182 HydrophobicContact CG-CD 4.09Å; P109-K182 WeakPolarHBondContact O-CD 3.42Å; P109-K182 PolarHBondContact O-NZ 3.35Å; K179-K182 PolarHBondContact O-NZ 3.44Å; D180-K182 VanDerWaalsContact C-N 3.31Å; D180-K182 PolarHBondContact O-N 3.49Å; K182-A184 PolarHBondContact O-N 3.08Å; K182-M185 PolarHBondContact O-N 3.3Å
183G84Confident93.5Very high44 Ų4448.1 Ų48.145%0.45427%0.271SS..G310 helixtrans60.6-126.1177.900000111.3M185 R339G183-M185 VanDerWaalsContact C-N 3.28Å; G183-M185 PolarHBondContact O-N 3.16Å; G183-R339 VanDerWaalsContact O-CD 3.23Å; G183-R339 WeakPolarHBondContact O-CD 3.49Å; G183-R339 PolarHBondContact O-NE 3.41Å
184A80.6Confident93.5Very high63 Ų6348.1 Ų48.152%0.52127%0.271SS..G310 helixtrans-68.8-25.5176.200000113.1K182 T186 P342K182-A184 PolarHBondContact O-N 3.08Å; A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 3.09Å; A184-P342 HydrophobicContact CB-CG 4.15Å
185M82.6Confident93.5Very high132 Ų13251.2 Ų51.265%0.6529%0.286SS*.G310 helixtrans-92.927.5179-58.2-55.2-67.100112.4Q181 K182 G183 G187 P342Q181-M185 VanDerWaalsContact CA-O 3.29Å; Q181-M185 WeakPolarHBondContact CA-O 2.77Å; K182-M185 PolarHBondContact O-N 3.3Å; G183-M185 VanDerWaalsContact C-N 3.28Å; G183-M185 PolarHBondContact O-N 3.16Å; M185-G187 PolarHBondContact O-N 3.27Å; M185-P342 HydrophobicContact SD-CG 4.02Å
186T84.1Confident93.5Very high36 Ų3650.8 Ų50.822%0.22129%0.288CS..  trans-63.6-36.3-170.5-169.70000114R177 Q181 A184R177-T186 WeakPolarHBondContact CD-O 3.31Å; R177-T186 PolarHBondContact NE-O 3.19Å; R177-T186 PolarHBondContact NH1-OG1 2.98Å; Q181-T186 WeakPolarHBondContact CB-O 3.48Å; A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 3.09Å
187G88.3Confident93.5Very high44 Ų4450.8 Ų50.845%0.45429%0.287SS..  trans53.7-165.8-17900000115.3R177 M185R177-G187 PolarHBondContact NE-O 3.19Å; R177-G187 PolarHBondContact NH2-O 3.07Å; M185-G187 PolarHBondContact O-N 3.27Å
188I92.6Very high93.6Very high133 Ų13352.1 Ų52.168%0.68229%0.292SS*.  trans-92.3145177-57.2175.7000109.4Q181 N210Q181-I188 PolarHBondContact NE2-O 3.5Å; I188-N210 WeakPolarHBondContact CA-OD1 3.46Å
189A96Very high93.6Very high5 Ų558.5 Ų58.54%0.04132%0.318CS..  trans-78.312717100000110.3G176 R177 W191 N210G176-A189 CarbonylContact O-C 3.58Å; G176-A189 VanDerWaalsContact O-CA 3.29Å; G176-A189 WeakPolarHBondContact O-CA 3.37Å; R177-A189 HydrophobicContact CG-CB 3.83Å; A189-W191 PolarHBondContact O-N 3.02Å; A189-N210 WeakPolarHBondContact CB-OD1 3.25Å; A189-N210 PolarHBondContact N-OD1 3.05Å
190S98.1Very high93.7Very high36 Ų3656.8 Ų56.825%0.25232%0.316SS..  trans-72.3106.6173.5177.30000109.9G176 E192 H193G176-S190 PolarHBondContact O-N 3.05Å; S190-E192 VanDerWaalsContact C-N 3.27Å; S190-H193 WeakPolarHBondContact CB-ND1 3.49Å; S190-H193 PolarHBondContact OG-N 3.12Å; S190-H193 PolarHBondContact OG-ND1 2.91Å
191W98.1Very high93.9Very high28 Ų2852.6 Ų52.611%0.10629%0.294CS..Hα-helixtrans-72.6-22.3170.1-70.1-0.8000112.2A189 I194 Q195 G209 I211 R219 C220 E223 T224A189-W191 PolarHBondContact O-N 3.02Å; W191-I194 WeakPolarHBondContact O-CB 3.41Å; W191-I194 PolarHBondContact O-N 3.24Å; W191-I194 VanDerWaalsContact O-N 3.1Å; W191-Q195 PolarHBondContact O-N 2.87Å; W191-G209 PolarHBondContact NE1-O 3.04Å; W191-I211 HydrophobicContact CZ2-CD1 3.84Å; W191-R219 HydrophobicContact CH2-CB 4.39Å; W191-R219 HydrophobicContact CH2-CG 4.46Å; W191-R219 VanDerWaalsContact CH2-NH2 3.28Å; W191-R219 HydrophobicContact CZ3-CB 4.32Å; W191-R219 HydrophobicContact CZ3-CG 3.98Å; W191-C220 HydrophobicContact CD2-CB 4.41Å; W191-C220 HydrophobicContact CE3-CB 4.36Å; W191-C220 HydrophobicContact CH2-CB 3.55Å; W191-C220 HydrophobicContact CZ2-CB 3.64Å; W191-C220 HydrophobicContact CZ3-CB 3.96Å; W191-E223 HydrophobicContact CE3-CB 4.42Å; W191-T224 HydrophobicContact CB-CG2 3.79Å; W191-T224 HydrophobicContact CG-CG2 4.31Å
192E98.4Very high94.2Very high128 Ų12856.7 Ų56.760%0.59832%0.317SS*.Hα-helixtrans-57.8-47170.6-176.3-173-165.400111.9I154 S190 I194 Q195 A196I154-E192 HydrophobicContact CD1-CG 3.86Å; S190-E192 VanDerWaalsContact C-N 3.27Å; E192-I194 VanDerWaalsContact C-N 3.26Å; E192-I194 PolarHBondContact O-N 3.09Å; E192-Q195 PolarHBondContact O-N 3.4Å; E192-A196 WeakPolarHBondContact O-CB 3.31Å; E192-A196 PolarHBondContact O-N 3.21Å
193H98.8Very high94.7Very high18 Ų1854.2 Ų54.28%0.08331%0.307CS..Hα-helixtrans-59.3-38.3173.3-78.469.9000112.1V150 F151 K152 I154 S190 V197V150-H193 HydrophobicContact CB-CB 4.34Å; V150-H193 HydrophobicContact CG1-CB 3.86Å; F151-H193 PolarHBondContact O-NE2 3.25Å; K152-H193 PolarHBondContact O-NE2 2.61Å; I154-H193 VanDerWaalsContact CG1-CE1 3.41Å; I154-H193 WeakPolarHBondContact CG1-CE1 3.15Å; I154-H193 WeakPolarHBondContact CG1-NE2 3.41Å; S190-H193 WeakPolarHBondContact CB-ND1 3.49Å; S190-H193 PolarHBondContact OG-N 3.12Å; S190-H193 PolarHBondContact OG-ND1 2.91Å; H193-V197 WeakPolarHBondContact O-CG2 3.45Å; H193-V197 PolarHBondContact O-N 2.86Å
194I98.8Very high95.4Very high0 Ų052.1 Ų52.10%029%0.285CS..Hα-helixtrans-68.3-45179.2-57.5176.9000110.2V174 W191 E192 A196 V197 R198 A207 T224 V226V174-I194 HydrophobicContact CB-CG1 4.25Å; V174-I194 HydrophobicContact CG1-CG1 3.98Å; W191-I194 WeakPolarHBondContact O-CB 3.41Å; W191-I194 PolarHBondContact O-N 3.24Å; W191-I194 VanDerWaalsContact O-N 3.1Å; E192-I194 VanDerWaalsContact C-N 3.26Å; E192-I194 PolarHBondContact O-N 3.09Å; I194-A196 PolarHBondContact O-N 3.22Å; I194-V197 PolarHBondContact O-N 3.13Å; I194-R198 WeakPolarHBondContact O-CB 3.42Å; I194-R198 PolarHBondContact O-N 2.9Å; I194-A207 HydrophobicContact CD1-CB 3.98Å; I194-A207 HydrophobicContact CG2-CB 3.92Å; I194-T224 HydrophobicContact CB-CG2 4.38Å; I194-T224 HydrophobicContact CG2-CG2 4.4Å; I194-V226 HydrophobicContact CG2-CG1 3.67Å
195Q98.8Very high96.3Very high65 Ų6549.1 Ų49.130%0.30426%0.26SS..Hα-helixtrans-62-42176.2-168.6-160.581.100111.3W191 E192 R198 K199 E223 T224W191-Q195 PolarHBondContact O-N 2.87Å; E192-Q195 PolarHBondContact O-N 3.4Å; Q195-R198 PolarHBondContact O-N 3.48Å; Q195-K199 HydrophobicContact CG-CD 4.26Å; Q195-K199 WeakPolarHBondContact O-CB 3.19Å; Q195-K199 WeakPolarHBondContact O-CG 3.44Å; Q195-K199 PolarHBondContact O-N 2.69Å; Q195-E223 PolarHBondContact NE2-O 3.28Å; Q195-T224 HydrophobicContact CB-CG2 4.35Å
196A98.9Very high97.1Very high23 Ų2342.8 Ų42.819%0.1923%0.229CC..Hα-helixtrans-63.1-45.1177.100000112.1I154 V158 E192 I194 K199 A200I154-A196 HydrophobicContact CG2-CB 3.37Å; V158-A196 HydrophobicContact CG2-CB 4.07Å; E192-A196 WeakPolarHBondContact O-CB 3.31Å; E192-A196 PolarHBondContact O-N 3.21Å; I194-A196 PolarHBondContact O-N 3.22Å; A196-K199 PolarHBondContact O-N 2.7Å; A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 3.01Å
197V98.9Very high97.8Very high0 Ų041.1 Ų41.10%022%0.219CC..Hα-helixtrans-61.5-47.4172.6170.10000110.9T157 V158 A161 L172 V174 H193 I194 K199 A200 V201T157-V197 HydrophobicContact CG2-CG2 3.72Å; V158-V197 HydrophobicContact CG2-CG2 4.41Å; A161-V197 HydrophobicContact CB-CB 4.44Å; A161-V197 HydrophobicContact CB-CG1 3.56Å; A161-V197 HydrophobicContact CB-CG2 4.1Å; L172-V197 HydrophobicContact CD2-CG1 3.77Å; V174-V197 HydrophobicContact CG2-CB 4.35Å; V174-V197 HydrophobicContact CG2-CG1 3.84Å; H193-V197 WeakPolarHBondContact O-CG2 3.45Å; H193-V197 PolarHBondContact O-N 2.86Å; I194-V197 PolarHBondContact O-N 3.13Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.33Å; V197-A200 PolarHBondContact O-N 2.96Å; V197-V201 PolarHBondContact O-N 3.19Å
198R98.8Very high98.3Very high56 Ų5639.4 Ų39.421%0.21120%0.199CC..Hα-helixtrans-57.6-38.9179.5170.957.9-158.7118.8-13.3112.5I194 Q195 A200 V201 V205 T224 G225 V226I194-R198 WeakPolarHBondContact O-CB 3.42Å; I194-R198 PolarHBondContact O-N 2.9Å; Q195-R198 PolarHBondContact O-N 3.48Å; R198-A200 VanDerWaalsContact C-N 3.27Å; R198-A200 PolarHBondContact O-N 3.4Å; R198-V201 PolarHBondContact NH1-O 2.98Å; R198-V205 HydrophobicContact CB-CB 4.33Å; R198-V205 HydrophobicContact CB-CG1 4.45Å; R198-V205 HydrophobicContact CB-CG2 4.45Å; R198-T224 WeakPolarHBondContact CG-O 3.39Å; R198-G225 WeakPolarHBondContact CD-O 3.4Å; R198-G225 WeakPolarHBondContact CG-O 3.38Å; R198-G225 PolarHBondContact NE-O 2.9Å; R198-V226 HydrophobicContact CB-CG1 4.35Å; R198-V226 HydrophobicContact CG-CG1 4.48Å
199K98.7Very high98.4Very high153 Ų15333.4 Ų33.467%0.66517%0.17SC*.Hα-helixtrans-69.9-20.1176.1-74.6169.1173.5174.10114Q195 A196 V197Q195-K199 HydrophobicContact CG-CD 4.26Å; Q195-K199 WeakPolarHBondContact O-CB 3.19Å; Q195-K199 WeakPolarHBondContact O-CG 3.44Å; Q195-K199 PolarHBondContact O-N 2.69Å; A196-K199 PolarHBondContact O-N 2.7Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.33Å
200A98.7Very high98.2Very high27 Ų2735.1 Ų35.122%0.22318%0.179CC..Hα-helixtrans-107-7.2-168.500000115.3V158 Q162 A196 V197 R198V158-A200 HydrophobicContact CB-CB 4.5Å; V158-A200 HydrophobicContact CG1-CB 3.47Å; V158-A200 VanDerWaalsContact CG1-CB 3.47Å; V158-A200 HydrophobicContact CG2-CB 4.33Å; Q162-A200 PolarHBondContact NE2-O 3.15Å; A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 3.01Å; V197-A200 PolarHBondContact O-N 2.96Å; R198-A200 VanDerWaalsContact C-N 3.27Å; R198-A200 PolarHBondContact O-N 3.4Å
201V98.8Very high98.2Very high4 Ų433.7 Ų33.72%0.02417%0.168CC..  trans-121.3153.2176.5-55.70000111.6A161 Q162 E165 V197 R198 I203 V205A161-V201 HydrophobicContact CB-CG1 4.03Å; Q162-V201 HydrophobicContact CG-CG1 4.13Å; E165-V201 WeakPolarHBondContact OE2-CA 3.37Å; E165-V201 WeakPolarHBondContact OE2-CB 3.39Å; V197-V201 PolarHBondContact O-N 3.19Å; R198-V201 PolarHBondContact NH1-O 2.98Å; V201-I203 HydrophobicContact CB-CG1 4.21Å; V201-I203 HydrophobicContact CG2-CG1 4Å; V201-V205 HydrophobicContact CG2-CG2 3.41Å; V201-V205 VanDerWaalsContact CG2-CG2 3.41Å
202N98.5Very high98Very high132 Ų13234.2 Ų34.271%0.70617%0.172SC*.SBendtrans-100.6-5.3-176.9-55.8-80.4000113.2F7 E165F7-N202 WeakPolarHBondContact CD2-O 3.38Å; F7-N202 WeakPolarHBondContact CE2-O 3.39Å; E165-N202 VanDerWaalsContact OE1-CA 3.26Å; E165-N202 WeakPolarHBondContact OE1-CA 3.26Å; E165-N202 WeakPolarHBondContact OE1-CB 3.35Å; E165-N202 PolarHBondContact OE1-N 3.1Å
203I98.8Very high97.8Very high11 Ų1131.9 Ų31.96%0.05616%0.161CC..SBendtrans-86.3158.3168.358.8176.4000112.6E165 C169 L172 V201 V205E165-I203 HydrophobicContact CB-CD1 4.06Å; E165-I203 HydrophobicContact CG-CD1 4.32Å; E165-I203 HydrophobicContact CG-CG1 4.37Å; E165-I203 HydrophobicContact CG-CG2 4.23Å; E165-I203 PolarHBondContact OE1-N 3.48Å; C169-I203 HydrophobicContact CB-CD1 4.33Å; C169-I203 WeakPolarHBondContact O-CD1 3.4Å; L172-I203 HydrophobicContact CB-CD1 4.06Å; V201-I203 HydrophobicContact CB-CG1 4.21Å; V201-I203 HydrophobicContact CG2-CG1 4Å; I203-V205 PolarHBondContact O-N 2.87Å
204P98.8Very high97.8Very high0 Ų032.6 Ų32.60%017%0.165CC..  trans-55.3136.7169.8-26.235.3000112.2G6 F7 W10 L171 L172 Q227G6-P204 VanDerWaalsContact C-CD 3.45Å; F7-P204 HydrophobicContact CD1-CG 4.03Å; F7-P204 HydrophobicContact CD2-CG 4.14Å; F7-P204 HydrophobicContact CE1-CG 4.19Å; F7-P204 HydrophobicContact CE2-CG 4.29Å; F7-P204 HydrophobicContact CG-CG 3.99Å; F7-P204 HydrophobicContact CZ-CG 4.31Å; W10-P204 HydrophobicContact CB-CB 4.13Å; W10-P204 HydrophobicContact CB-CG 3.6Å; W10-P204 HydrophobicContact CG-CB 4.22Å; W10-P204 HydrophobicContact CG-CG 4.12Å; L171-P204 WeakPolarHBondContact CA-O 3.39Å; L171-P204 HydrophobicContact CD1-CB 4.01Å; L171-P204 HydrophobicContact CG-CB 4.18Å; L172-P204 PolarHBondContact N-O 3.26Å; P204-Q227 HydrophobicContact CB-CB 4.27Å; P204-Q227 HydrophobicContact CB-CG 4.08Å
205V98.9Very high97.7Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-116.4136.9174.6-179.70000109.9L172 V174 R198 V201 I203 V226 Q227L172-V205 CarbonylContact O-C 3.53Å; L172-V205 VanDerWaalsContact O-CA 3.29Å; L172-V205 WeakPolarHBondContact O-CA 3.38Å; V174-V205 HydrophobicContact CG2-CG1 3.93Å; R198-V205 HydrophobicContact CB-CB 4.33Å; R198-V205 HydrophobicContact CB-CG1 4.45Å; R198-V205 HydrophobicContact CB-CG2 4.45Å; V201-V205 HydrophobicContact CG2-CG2 3.41Å; V201-V205 VanDerWaalsContact CG2-CG2 3.41Å; I203-V205 PolarHBondContact O-N 2.87Å; V205-V226 HydrophobicContact CB-CG1 4.32Å; V205-V226 HydrophobicContact CG1-CG1 3.99Å; V205-V226 VanDerWaalsContact O-CB 3.31Å; V205-V226 WeakPolarHBondContact O-CB 3.42Å; V205-Q227 PolarHBondContact O-N 2.97Å
206F98.9Very high97.6Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-110.8135.8169.6-67.7-20.3000111.7W10 V20 L43 L171 L172 T173 V174 Q227 G228W10-F206 AromaticContact CD1-CZ 3.91Å; W10-F206 AromaticContact NE1-CE1 3.83Å; V20-F206 HydrophobicContact CG2-CD2 4.02Å; V20-F206 HydrophobicContact CG2-CE2 3.83Å; V20-F206 HydrophobicContact CG2-CZ 4.12Å; L43-F206 HydrophobicContact CD2-CE2 3.53Å; L43-F206 HydrophobicContact CD2-CZ 4.03Å; L171-F206 HydrophobicContact CD1-CD2 4.16Å; L171-F206 HydrophobicContact CD1-CE1 4.13Å; L171-F206 HydrophobicContact CD1-CE2 3.59Å; L171-F206 HydrophobicContact CD1-CZ 3.61Å; L171-F206 HydrophobicContact CD2-CD2 3.63Å; L171-F206 HydrophobicContact CD2-CE2 3.81Å; L171-F206 HydrophobicContact CD2-CG 4.21Å; L171-F206 HydrophobicContact CG-CD2 4.42Å; L171-F206 HydrophobicContact CG-CE2 4.31Å; L172-F206 PolarHBondContact O-N 2.91Å; T173-F206 CarbonylContact C-O 3.24Å; T173-F206 WeakPolarHBondContact CA-O 3.23Å; T173-F206 HydrophobicContact CG2-CB 4.27Å; V174-F206 PolarHBondContact N-O 3.2Å; F206-Q227 HydrophobicContact CD1-CB 4.34Å; F206-Q227 HydrophobicContact CE1-CB 4.13Å; F206-G228 VanDerWaalsContact CA-O 3.25Å; F206-G228 WeakPolarHBondContact CA-O 3.47Å; F206-G228 VanDerWaalsContact CD1-CA 3.48Å
207A98.9Very high97.6Very high0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-83.6148.2174.600000112I194 C220 V226 G228 V229 M230I194-A207 HydrophobicContact CD1-CB 3.98Å; I194-A207 HydrophobicContact CG2-CB 3.92Å; A207-C220 WeakPolarHBondContact CB-SG 3.18Å; A207-V226 HydrophobicContact CB-CB 4.49Å; A207-V226 HydrophobicContact CB-CG1 4.18Å; A207-V226 HydrophobicContact CB-CG2 3.94Å; A207-G228 PolarHBondContact N-O 3.29Å; A207-V229 HydrophobicContact CB-CG2 4.39Å; A207-M230 PolarHBondContact O-N 3.32Å
208N98.7Very high97.6Very high8 Ų837.9 Ų37.94%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-145.6139.2171.7-179.3-127.9000112.1K147 T173 V174 H175 G176 M230K147-N208 PolarHBondContact NZ-OD1 2.82Å; T173-N208 HydrophobicContact CG2-CB 4.16Å; V174-N208 PolarHBondContact O-N 2.71Å; H175-N208 WeakPolarHBondContact CA-O 3.16Å; H175-N208 HydrophobicContact CB-CB 4.28Å; H175-N208 PolarHBondContact CD2-O 3.05Å; H175-N208 VanDerWaalsContact CD2-O 3.26Å; G176-N208 PolarHBondContact N-O 3.36Å; N208-M230 HydrophobicContact CB-CB 4.17Å; N208-M230 PolarHBondContact ND2-O 3.48Å
209G94.8Very high97.5Very high7 Ų740.1 Ų40.17%0.07220%0.202CC..SBendtrans113.4136.217600000113.2W191W191-G209 PolarHBondContact NE1-O 3.04Å
210N92.6Very high97.5Very high41 Ų4132.9 Ų32.922%0.21917%0.17CC..SBendtrans58.340-174.5-70.889.3000114.2R177 I188 A189R177-N210 VanDerWaalsContact NH2-CG 3.34Å; R177-N210 PolarHBondContact NH2-OD1 3.18Å; I188-N210 WeakPolarHBondContact CA-OD1 3.46Å; A189-N210 WeakPolarHBondContact CB-OD1 3.25Å; A189-N210 PolarHBondContact N-OD1 3.05Å
211I96.9Very high97.5Very high6 Ų633.7 Ų33.73%0.03117%0.171CC..  trans-109.7108.4174.7-51.2-58.9000107.9W191 D216 V217 C220 V229 S231W191-I211 HydrophobicContact CZ2-CD1 3.84Å; I211-D216 HydrophobicContact CD1-CB 4.15Å; I211-D216 HydrophobicContact CG2-CB 4.37Å; I211-V217 HydrophobicContact CG2-CG2 3.54Å; I211-C220 HydrophobicContact CD1-CB 4.01Å; I211-V229 HydrophobicContact CB-CG1 4.31Å; I211-V229 HydrophobicContact CD1-CG1 3.47Å; I211-V229 VanDerWaalsContact CD1-CG1 3.47Å; I211-V229 HydrophobicContact CG1-CG1 3.47Å; I211-V229 VanDerWaalsContact CG1-CG1 3.47Å; I211-V229 HydrophobicContact CG2-CG1 3.95Å; I211-S231 PolarHBondContact O-OG 2.94Å
212H94.9Very high97.5Very high40 Ų4041.5 Ų41.519%0.18521%0.207CC..  trans-126.1-23-173.3-67.8-70.1000113.1D216 L241 P336H212-D216 WeakPolarHBondContact CA-OD2 3.43Å; H212-D216 PolarHBondContact N-OD2 3.14Å; H212-L241 VanDerWaalsContact O-CD1 3.31Å; H212-L241 WeakPolarHBondContact O-CD1 3.35Å; H212-P336 HydrophobicContact CB-CB 3.98Å; H212-P336 HydrophobicContact CB-CG 3.72Å
213H95Very high97.5Very high78 Ų7839.6 Ų39.636%0.36119%0.194SC..SBendtrans-134.1167.4176-54.4-82.8000111.5S215 D216 V217 P336H213-S215 VanDerWaalsContact C-N 3.26Å; H213-S215 PolarHBondContact O-N 2.78Å; H213-D216 IonicContact CD2-OD2 3.48Å; H213-D216 PolarHBondContact N-OD2 3.09Å; H213-D216 WeakPolarHBondContact O-CB 3.46Å; H213-D216 PolarHBondContact O-N 3.4Å; H213-D216 VanDerWaalsContact O-N 3.13Å; H213-V217 PolarHBondContact O-N 3.21Å; H213-P336 VanDerWaalsContact CE1-CG 3.49Å; H213-P336 WeakPolarHBondContact CE1-CG 3.33Å; H213-P336 WeakPolarHBondContact NE2-CG 3.33Å
214L97.4Very high97.5Very high34 Ų3439.3 Ų39.318%0.17819%0.193CC..Hα-helixtrans-57.7-39.3171.4-17758.7000112F19 D216 V217 E218 L241F19-L214 HydrophobicContact CE1-CD1 3.97Å; F19-L214 HydrophobicContact CE2-CD1 4.43Å; F19-L214 HydrophobicContact CZ-CD1 3.72Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 2.94Å; L214-V217 WeakPolarHBondContact O-CA 3.42Å; L214-V217 VanDerWaalsContact O-CB 3.26Å; L214-V217 WeakPolarHBondContact O-CB 3.15Å; L214-V217 PolarHBondContact O-N 3.02Å; L214-E218 PolarHBondContact O-N 3.23Å; L214-L241 WeakPolarHBondContact CB-O 3.38Å
215S97.1Very high97.5Very high65 Ų6541.2 Ų41.246%0.45521%0.212SC..Hα-helixtrans-63.4-27.5176.653.90000113.7H213 V217 R219H213-S215 VanDerWaalsContact C-N 3.26Å; H213-S215 PolarHBondContact O-N 2.78Å; S215-V217 VanDerWaalsContact C-N 3.34Å; S215-R219 VanDerWaalsContact O-CB 3.22Å; S215-R219 WeakPolarHBondContact O-CB 3.37Å; S215-R219 PolarHBondContact O-N 3.08Å
216D97.6Very high97.5Very high18 Ų1841.5 Ų41.510%0.09621%0.214CC..Hα-helixtrans-69.4-34.2170.4-67-48.8000111.5I211 H212 H213 L214 R219 C220I211-D216 HydrophobicContact CD1-CB 4.15Å; I211-D216 HydrophobicContact CG2-CB 4.37Å; H212-D216 WeakPolarHBondContact CA-OD2 3.43Å; H212-D216 PolarHBondContact N-OD2 3.14Å; H213-D216 IonicContact CD2-OD2 3.48Å; H213-D216 PolarHBondContact N-OD2 3.09Å; H213-D216 WeakPolarHBondContact O-CB 3.46Å; H213-D216 PolarHBondContact O-N 3.4Å; H213-D216 VanDerWaalsContact O-N 3.13Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 2.94Å; D216-R219 IonicContact OD1-CZ 3.83Å; D216-R219 IonicContact OD1-NH1 3.88Å; D216-R219 PolarHBondContact OD1-NH1 3.3Å; D216-R219 IonicContact OD1-NH2 2.9Å; D216-R219 PolarHBondContact OD1-NH2 3.35Å; D216-C220 WeakPolarHBondContact O-CB 3.14Å; D216-C220 PolarHBondContact O-N 2.75Å
217V98.3Very high97.4Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-65.5-50.9175.6172.10000110.2F19 I211 H213 L214 S215 C220 I221 V229 L241 F242F19-V217 HydrophobicContact CD1-CG1 3.92Å; F19-V217 HydrophobicContact CE1-CG1 3.72Å; I211-V217 HydrophobicContact CG2-CG2 3.54Å; H213-V217 PolarHBondContact O-N 3.21Å; L214-V217 WeakPolarHBondContact O-CA 3.42Å; L214-V217 VanDerWaalsContact O-CB 3.26Å; L214-V217 WeakPolarHBondContact O-CB 3.15Å; L214-V217 PolarHBondContact O-N 3.02Å; S215-V217 VanDerWaalsContact C-N 3.34Å; V217-C220 PolarHBondContact O-N 3Å; V217-I221 HydrophobicContact CG1-CD1 3.95Å; V217-I221 WeakPolarHBondContact O-CG1 3.29Å; V217-I221 PolarHBondContact O-N 3.5Å; V217-V229 HydrophobicContact CB-CB 4.36Å; V217-V229 HydrophobicContact CB-CG1 4.41Å; V217-V229 HydrophobicContact CG1-CB 3.83Å; V217-V229 HydrophobicContact CG1-CG1 4.4Å; V217-V229 HydrophobicContact CG1-CG2 3.97Å; V217-V229 HydrophobicContact CG2-CB 4.23Å; V217-V229 HydrophobicContact CG2-CG1 3.98Å; V217-L241 HydrophobicContact CG2-CD2 4.39Å; V217-F242 HydrophobicContact CG2-CD1 4.43Å; V217-F242 HydrophobicContact CG2-CE1 4.11Å
218E97.8Very high97.4Very high115 Ų11542.6 Ų42.654%0.53722%0.219SC..Hα-helixtrans-58.8-51179.4-66.5170.6165.300111.3L214 C220 I221 Q222L214-E218 PolarHBondContact O-N 3.23Å; E218-C220 VanDerWaalsContact C-N 3.34Å; E218-C220 PolarHBondContact O-N 3.31Å; E218-I221 PolarHBondContact O-N 3.28Å; E218-Q222 WeakPolarHBondContact O-CB 3.22Å; E218-Q222 PolarHBondContact O-N 2.9Å
219R98.3Very high97.4Very high104 Ų10442.2 Ų42.239%0.39222%0.217SC..Hα-helixtrans-59.8-42.9176.8-168.7-175.765-123.1-13111.6W191 S215 D216 I221 Q222 E223W191-R219 HydrophobicContact CH2-CB 4.39Å; W191-R219 HydrophobicContact CH2-CG 4.46Å; W191-R219 VanDerWaalsContact CH2-NH2 3.28Å; W191-R219 HydrophobicContact CZ3-CB 4.32Å; W191-R219 HydrophobicContact CZ3-CG 3.98Å; S215-R219 VanDerWaalsContact O-CB 3.22Å; S215-R219 WeakPolarHBondContact O-CB 3.37Å; S215-R219 PolarHBondContact O-N 3.08Å; D216-R219 IonicContact OD1-CZ 3.83Å; D216-R219 IonicContact OD1-NH1 3.88Å; D216-R219 PolarHBondContact OD1-NH1 3.3Å; D216-R219 IonicContact OD1-NH2 2.9Å; D216-R219 PolarHBondContact OD1-NH2 3.35Å; R219-I221 PolarHBondContact O-N 3.5Å; R219-Q222 PolarHBondContact O-N 3.07Å; R219-E223 VanDerWaalsContact CD-OE1 3.26Å; R219-E223 WeakPolarHBondContact CD-OE1 3.46Å; R219-E223 HydrophobicContact CG-CG 4.37Å; R219-E223 WeakPolarHBondContact CG-OE1 3.28Å; R219-E223 IonicContact NE-OE1 3.38Å; R219-E223 WeakPolarHBondContact O-CB 3.15Å; R219-E223 WeakPolarHBondContact O-CG 3.27Å; R219-E223 PolarHBondContact O-N 3.12Å
220C98.6Very high97.6Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-63.9-42179.1-168.50000112.1W191 A207 I211 D216 V217 E218 T224 V229W191-C220 HydrophobicContact CD2-CB 4.41Å; W191-C220 HydrophobicContact CE3-CB 4.36Å; W191-C220 HydrophobicContact CH2-CB 3.55Å; W191-C220 HydrophobicContact CZ2-CB 3.64Å; W191-C220 HydrophobicContact CZ3-CB 3.96Å; A207-C220 WeakPolarHBondContact CB-SG 3.18Å; I211-C220 HydrophobicContact CD1-CB 4.01Å; D216-C220 WeakPolarHBondContact O-CB 3.14Å; D216-C220 PolarHBondContact O-N 2.75Å; V217-C220 PolarHBondContact O-N 3Å; E218-C220 VanDerWaalsContact C-N 3.34Å; E218-C220 PolarHBondContact O-N 3.31Å; C220-T224 WeakPolarHBondContact O-CB 3.49Å; C220-T224 WeakPolarHBondContact O-CG2 3.48Å; C220-T224 PolarHBondContact O-N 2.86Å; C220-T224 PolarHBondContact O-OG1 2.91Å; C220-V229 HydrophobicContact CB-CG2 4.06Å
221I98.5Very high97.9Very high44 Ų4440 Ų4023%0.22620%0.203CC..Hα-helixtrans-62.8-47.9174.9-67.4171.1000110.3R18 V217 E218 R219 E223 G225 V226 V229R18-I221 HydrophobicContact CB-CD1 4.48Å; V217-I221 HydrophobicContact CG1-CD1 3.95Å; V217-I221 WeakPolarHBondContact O-CG1 3.29Å; V217-I221 PolarHBondContact O-N 3.5Å; E218-I221 PolarHBondContact O-N 3.28Å; R219-I221 PolarHBondContact O-N 3.5Å; I221-E223 PolarHBondContact O-N 3.02Å; I221-G225 WeakPolarHBondContact O-CA 3.34Å; I221-G225 PolarHBondContact O-N 2.78Å; I221-V226 HydrophobicContact CG1-CG2 4.21Å; I221-V229 HydrophobicContact CD1-CG2 4.11Å; I221-V229 HydrophobicContact CG1-CG2 3.55Å
222Q98.4Very high97.9Very high168 Ų16840.9 Ų40.979%0.78521%0.212SC*.Hα-helixtrans-60.3-45.7-179.2-175.1-179.34.400112.4E218 R219E218-Q222 WeakPolarHBondContact O-CB 3.22Å; E218-Q222 PolarHBondContact O-N 2.9Å; R219-Q222 PolarHBondContact O-N 3.07Å
223E98.2Very high97.8Very high93 Ų9342.8 Ų42.844%0.43522%0.221SC..Hα-helixtrans-74.6-37.1-178.7-72.2-177.8-145.400113W191 Q195 R219 I221W191-E223 HydrophobicContact CE3-CB 4.42Å; Q195-E223 PolarHBondContact NE2-O 3.28Å; R219-E223 VanDerWaalsContact CD-OE1 3.26Å; R219-E223 WeakPolarHBondContact CD-OE1 3.46Å; R219-E223 HydrophobicContact CG-CG 4.37Å; R219-E223 WeakPolarHBondContact CG-OE1 3.28Å; R219-E223 IonicContact NE-OE1 3.38Å; R219-E223 WeakPolarHBondContact O-CB 3.15Å; R219-E223 WeakPolarHBondContact O-CG 3.27Å; R219-E223 PolarHBondContact O-N 3.12Å; I221-E223 PolarHBondContact O-N 3.02Å
224T98.5Very high97.9Very high5 Ų539.1 Ų39.13%0.03120%0.204CC..Hα-helixtrans-103.4-19.2-169.167.70000115.4W191 I194 Q195 R198 C220 V226W191-T224 HydrophobicContact CB-CG2 3.79Å; W191-T224 HydrophobicContact CG-CG2 4.31Å; I194-T224 HydrophobicContact CB-CG2 4.38Å; I194-T224 HydrophobicContact CG2-CG2 4.4Å; Q195-T224 HydrophobicContact CB-CG2 4.35Å; R198-T224 WeakPolarHBondContact CG-O 3.39Å; C220-T224 WeakPolarHBondContact O-CB 3.49Å; C220-T224 WeakPolarHBondContact O-CG2 3.48Å; C220-T224 PolarHBondContact O-N 2.86Å; C220-T224 PolarHBondContact O-OG1 2.91Å; T224-V226 VanDerWaalsContact C-N 3.25Å; T224-V226 PolarHBondContact O-N 3.26Å; T224-V226 WeakPolarHBondContact OG1-CG1 3.47Å; T224-V226 VanDerWaalsContact OG1-CG2 3.25Å; T224-V226 WeakPolarHBondContact OG1-CG2 3.29Å
225G98.4Very high97.9Very high39 Ų3937.5 Ų37.540%0.40220%0.196SC..  trans70.517.1-177.100000114.9R198 I221 Q227R198-G225 WeakPolarHBondContact CD-O 3.4Å; R198-G225 WeakPolarHBondContact CG-O 3.38Å; R198-G225 PolarHBondContact NE-O 2.9Å; I221-G225 WeakPolarHBondContact O-CA 3.34Å; I221-G225 PolarHBondContact O-N 2.78Å; G225-Q227 PolarHBondContact O-NE2 3.32Å
226V98.8Very high97.9Very high6 Ų634.5 Ų34.54%0.03617%0.174CC..  trans-68.3157.8175.7-68.20000112.3I194 R198 V205 A207 I221 T224 G228 V229I194-V226 HydrophobicContact CG2-CG1 3.67Å; R198-V226 HydrophobicContact CB-CG1 4.35Å; R198-V226 HydrophobicContact CG-CG1 4.48Å; V205-V226 HydrophobicContact CB-CG1 4.32Å; V205-V226 HydrophobicContact CG1-CG1 3.99Å; V205-V226 VanDerWaalsContact O-CB 3.31Å; V205-V226 WeakPolarHBondContact O-CB 3.42Å; A207-V226 HydrophobicContact CB-CB 4.49Å; A207-V226 HydrophobicContact CB-CG1 4.18Å; A207-V226 HydrophobicContact CB-CG2 3.94Å; I221-V226 HydrophobicContact CG1-CG2 4.21Å; T224-V226 VanDerWaalsContact C-N 3.25Å; T224-V226 PolarHBondContact O-N 3.26Å; T224-V226 WeakPolarHBondContact OG1-CG1 3.47Å; T224-V226 VanDerWaalsContact OG1-CG2 3.25Å; T224-V226 WeakPolarHBondContact OG1-CG2 3.29Å; V226-G228 VanDerWaalsContact C-N 3.33Å; V226-G228 WeakPolarHBondContact CG2-O 3.16Å; V226-V229 HydrophobicContact CG2-CG2 4.13Å
227Q98.7Very high97.9Very high24 Ų2433.9 Ų33.911%0.11217%0.171CC..SBendtrans-83.4-16-177.6-77.356.569.800112F7 W10 P204 V205 F206 G225F7-Q227 HydrophobicContact CE1-CG 3.58Å; F7-Q227 HydrophobicContact CZ-CG 4.05Å; W10-Q227 HydrophobicContact CD2-CB 4.25Å; W10-Q227 HydrophobicContact CD2-CG 4.3Å; W10-Q227 HydrophobicContact CE3-CG 4.25Å; W10-Q227 HydrophobicContact CH2-CB 4.26Å; W10-Q227 HydrophobicContact CH2-CG 4.07Å; W10-Q227 HydrophobicContact CZ2-CB 3.77Å; W10-Q227 HydrophobicContact CZ2-CG 4.09Å; W10-Q227 HydrophobicContact CZ3-CG 4.14Å; P204-Q227 HydrophobicContact CB-CB 4.27Å; P204-Q227 HydrophobicContact CB-CG 4.08Å; V205-Q227 PolarHBondContact O-N 2.97Å; F206-Q227 HydrophobicContact CD1-CB 4.34Å; F206-Q227 HydrophobicContact CE1-CB 4.13Å; G225-Q227 PolarHBondContact O-NE2 3.32Å
228G98.7Very high97.9Very high0 Ų034.2 Ų34.20%017%0.172CC..EExtended strand (participates in β ladder)trans-173.3168.6-178.700000112.1R18 F206 A207 V226R18-G228 CarbonylContact O-C 2.94Å; R18-G228 WeakPolarHBondContact O-CA 3.21Å; F206-G228 VanDerWaalsContact CA-O 3.25Å; F206-G228 WeakPolarHBondContact CA-O 3.47Å; F206-G228 VanDerWaalsContact CD1-CA 3.48Å; A207-G228 PolarHBondContact N-O 3.29Å; V226-G228 VanDerWaalsContact C-N 3.33Å; V226-G228 WeakPolarHBondContact CG2-O 3.16Å
229V98.9Very high97.8Very high0 Ų028.7 Ų28.70%015%0.147CC..EExtended strand (participates in β ladder)trans-134131.4-173.1-179.80000109.4R18 V20 A207 I211 V217 C220 I221 V226R18-V229 PolarHBondContact O-N 2.87Å; V20-V229 PolarHBondContact N-O 2.86Å; A207-V229 HydrophobicContact CB-CG2 4.39Å; I211-V229 HydrophobicContact CB-CG1 4.31Å; I211-V229 HydrophobicContact CD1-CG1 3.47Å; I211-V229 VanDerWaalsContact CD1-CG1 3.47Å; I211-V229 HydrophobicContact CG1-CG1 3.47Å; I211-V229 VanDerWaalsContact CG1-CG1 3.47Å; I211-V229 HydrophobicContact CG2-CG1 3.95Å; V217-V229 HydrophobicContact CB-CB 4.36Å; V217-V229 HydrophobicContact CB-CG1 4.41Å; V217-V229 HydrophobicContact CG1-CB 3.83Å; V217-V229 HydrophobicContact CG1-CG1 4.4Å; V217-V229 HydrophobicContact CG1-CG2 3.97Å; V217-V229 HydrophobicContact CG2-CB 4.23Å; V217-V229 HydrophobicContact CG2-CG1 3.98Å; C220-V229 HydrophobicContact CB-CG2 4.06Å; I221-V229 HydrophobicContact CD1-CG2 4.11Å; I221-V229 HydrophobicContact CG1-CG2 3.55Å; V226-V229 HydrophobicContact CG2-CG2 4.13Å
230M98.8Very high97.8Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-104119.3-176.7-177.5-173.6-79.800111.2V20 A22 Y45 K147 T173 A207 N208V20-M230 HydrophobicContact CB-CB 4.05Å; V20-M230 HydrophobicContact CB-CG 4.32Å; V20-M230 HydrophobicContact CG1-CB 4.25Å; V20-M230 HydrophobicContact CG1-CE 3.66Å; V20-M230 HydrophobicContact CG1-CG 4.13Å; V20-M230 CarbonylContact O-C 3.57Å; V20-M230 VanDerWaalsContact O-CA 3.24Å; V20-M230 WeakPolarHBondContact O-CA 3.42Å; A22-M230 VanDerWaalsContact CA-SD 3.57Å; A22-M230 HydrophobicContact CB-CG 3.64Å; A22-M230 HydrophobicContact CB-SD 3.65Å; Y45-M230 HydrophobicContact CD2-CE 3.75Å; Y45-M230 HydrophobicContact CE1-CE 4.35Å; Y45-M230 HydrophobicContact CE2-CE 3.44Å; Y45-M230 VanDerWaalsContact CE2-CE 3.44Å; Y45-M230 HydrophobicContact CG-CE 4.36Å; K147-M230 HydrophobicContact CD-SD 4.13Å; K147-M230 WeakPolarHBondContact CE-SD 3.24Å; T173-M230 HydrophobicContact CG2-CE 3.81Å; T173-M230 HydrophobicContact CG2-SD 3.83Å; A207-M230 PolarHBondContact O-N 3.32Å; N208-M230 HydrophobicContact CB-CB 4.17Å; N208-M230 PolarHBondContact ND2-O 3.48Å
231S98.4Very high97.7Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-97.1148.7171.9-168.40000111.4V20 A22 I211 N235 L241V20-S231 PolarHBondContact O-N 3.19Å; A22-S231 WeakPolarHBondContact CB-O 3.42Å; A22-S231 PolarHBondContact N-O 3.12Å; I211-S231 PolarHBondContact O-OG 2.94Å; S231-N235 PolarHBondContact OG-N 2.96Å; S231-L241 WeakPolarHBondContact OG-CD1 3.38Å
232A95.9Very high97.7Very high26 Ų2622.1 Ų22.122%0.21512%0.119CC..SBendtrans-130.7-96179.700000109.2A22 M24 G234 N235 L236A22-A232 HydrophobicContact CB-CB 3.58Å; M24-A232 HydrophobicContact CG-CB 4.41Å; M24-A232 VanDerWaalsContact SD-CA 3.54Å; M24-A232 HydrophobicContact SD-CB 3.72Å; A232-G234 PolarHBondContact O-N 3.28Å; A232-G234 VanDerWaalsContact O-N 3.13Å; A232-N235 PolarHBondContact O-N 3.43Å; A232-L236 PolarHBondContact O-N 3.21Å
233E94.6Very high97.7Very high80 Ų8017.7 Ų17.737%0.37410%0.099SC..Hα-helixtrans-51.3-34.7174.1-70.2-77.8-172.700113.2L236 H237 K277E233-L236 PolarHBondContact O-N 3.01Å; E233-H237 PolarHBondContact O-CD2 3.15Å; E233-H237 VanDerWaalsContact O-CD2 3.25Å; E233-H237 PolarHBondContact O-N 3.45Å; E233-H237 IonicContact OE2-CD2 3.11Å; E233-H237 IonicContact OE2-NE2 2.71Å; E233-K277 VanDerWaalsContact CD-NZ 3.25Å; E233-K277 IonicContact OE1-NZ 3.28Å; E233-K277 PolarHBondContact OE1-NZ 3.31Å; E233-K277 VanDerWaalsContact OE1-NZ 3.17Å; E233-K277 IonicContact OE2-NZ 2.65Å; E233-K277 PolarHBondContact OE2-NZ 3.49Å
234G95.9Very high97.6Very high1 Ų115.6 Ų15.61%0.0110%0.102CC..Hα-helixtrans-59.2-51.3173.600000112.6A232 L236 H237 N238A232-G234 PolarHBondContact O-N 3.28Å; A232-G234 VanDerWaalsContact O-N 3.13Å; G234-L236 PolarHBondContact O-N 3.44Å; G234-H237 PolarHBondContact O-N 2.97Å; G234-N238 PolarHBondContact O-N 2.92Å
235N97.8Very high97.4Very high0 Ų019.8 Ų19.80%012%0.117CC..Hα-helixtrans-65.1-36.1177.7166.3-98.6000112.5W32 S36 S231 A232 H237 N238W32-N235 PolarHBondContact NE1-OD1 3.5Å; S36-N235 PolarHBondContact OG-ND2 3.12Å; S36-N235 PolarHBondContact OG-OD1 3.29Å; S231-N235 PolarHBondContact OG-N 2.96Å; A232-N235 PolarHBondContact O-N 3.43Å; N235-H237 PolarHBondContact O-N 3.37Å; N235-N238 WeakPolarHBondContact CA-O 3.44Å; N235-N238 CarbonylContact O-C 3.5Å; N235-N238 PolarHBondContact O-N 2.82Å
236L97.1Very high97.3Very high1 Ų120.2 Ų20.21%0.00511%0.114CC..Hα-helixtrans-63.5-26.8174.9-66179.5000114.4M24 Q27 W32 A232 E233 G234 K277M24-L236 HydrophobicContact CE-CD1 4.42Å; M24-L236 HydrophobicContact CE-CD2 3.76Å; M24-L236 HydrophobicContact CE-CG 3.93Å; M24-L236 HydrophobicContact SD-CD1 3.64Å; M24-L236 HydrophobicContact SD-CD2 4.1Å; M24-L236 HydrophobicContact SD-CG 3.75Å; Q27-L236 HydrophobicContact CB-CD1 4.41Å; Q27-L236 HydrophobicContact CB-CD2 4.1Å; W32-L236 HydrophobicContact CZ2-CD2 4.1Å; A232-L236 PolarHBondContact O-N 3.21Å; E233-L236 PolarHBondContact O-N 3.01Å; G234-L236 PolarHBondContact O-N 3.44Å; L236-K277 HydrophobicContact CB-CB 4.37Å; L236-K277 HydrophobicContact CB-CD 4.41Å; L236-K277 HydrophobicContact CB-CG 4.41Å; L236-K277 WeakPolarHBondContact O-CB 3.44Å
237H97.1Very high97.3Very high5 Ų520.2 Ų20.22%0.02312%0.115CC..Hα-helixtrans-95.6-19176.6-78.6-80.1000112.7E233 G234 N235 K277 C334 Y337E233-H237 PolarHBondContact O-CD2 3.15Å; E233-H237 VanDerWaalsContact O-CD2 3.25Å; E233-H237 PolarHBondContact O-N 3.45Å; E233-H237 IonicContact OE2-CD2 3.11Å; E233-H237 IonicContact OE2-NE2 2.71Å; G234-H237 PolarHBondContact O-N 2.97Å; N235-H237 PolarHBondContact O-N 3.37Å; H237-K277 PolarHBondContact CE1-O 2.83Å; H237-K277 PolarHBondContact ND1-O 2.97Å; H237-K277 WeakPolarHBondContact NE2-CD 3.49Å; H237-C334 PolarHBondContact O-SG 3.25Å; H237-C334 VanDerWaalsContact O-SG 3.4Å; H237-Y337 VanDerWaalsContact CE1-CB 3.42Å; H237-Y337 WeakPolarHBondContact CE1-CB 3.42Å; H237-Y337 WeakPolarHBondContact NE2-CB 3.2Å
238N97.8Very high97.2Very high7 Ų720.5 Ų20.54%0.03712%0.119CC..  trans-152.499.3174.7-177.56.9000110.9G234 N235 A240 L241 R245 C334G234-N238 PolarHBondContact O-N 2.92Å; N235-N238 WeakPolarHBondContact CA-O 3.44Å; N235-N238 CarbonylContact O-C 3.5Å; N235-N238 PolarHBondContact O-N 2.82Å; N238-A240 PolarHBondContact O-N 3.09Å; N238-A240 WeakPolarHBondContact OD1-CA 3.46Å; N238-A240 WeakPolarHBondContact OD1-CB 3.31Å; N238-A240 PolarHBondContact OD1-N 3.13Å; N238-L241 VanDerWaalsContact O-CB 3.24Å; N238-L241 WeakPolarHBondContact O-CB 3.47Å; N238-L241 PolarHBondContact O-N 3.47Å; N238-L241 VanDerWaalsContact O-N 3.16Å; N238-R245 PolarHBondContact ND2-O 2.95Å; N238-C334 HydrophobicContact CB-CB 3.92Å
239P97.3Very high97.2Very high0 Ų020.6 Ų20.60%012%0.119CC..G310 helixtrans-58.9-34.5175.1-26.536.2000112.7W32 L35 L241 M252 L278W32-P239 HydrophobicContact CH2-CG 3.67Å; W32-P239 HydrophobicContact CZ2-CG 3.77Å; L35-P239 HydrophobicContact CD2-CB 3.89Å; L35-P239 HydrophobicContact CD2-CG 3.71Å; L35-P239 HydrophobicContact CG-CB 4.09Å; L35-P239 HydrophobicContact CG-CG 4.43Å; P239-L241 PolarHBondContact O-N 2.94Å; P239-L241 VanDerWaalsContact O-N 3.13Å; P239-M252 HydrophobicContact CB-SD 3.93Å; P239-M252 HydrophobicContact CG-CB 4.13Å; P239-M252 HydrophobicContact CG-CG 4.27Å; P239-M252 HydrophobicContact CG-SD 4.09Å; P239-L278 HydrophobicContact CG-CD2 3.9Å
240A97.8Very high97.1Very high0 Ų021.8 Ų21.80%012%0.124CC..G310 helixtrans-74.710.7177.700000115.4H39 N238 F242 E243 G244 R245 P247 M252H39-A240 HydrophobicContact CB-CB 4.45Å; N238-A240 PolarHBondContact O-N 3.09Å; N238-A240 WeakPolarHBondContact OD1-CA 3.46Å; N238-A240 WeakPolarHBondContact OD1-CB 3.31Å; N238-A240 PolarHBondContact OD1-N 3.13Å; A240-F242 VanDerWaalsContact C-N 3.26Å; A240-F242 PolarHBondContact O-N 3.32Å; A240-E243 PolarHBondContact O-N 3.28Å; A240-G244 PolarHBondContact O-N 3.01Å; A240-R245 HydrophobicContact CB-CB 4.12Å; A240-R245 PolarHBondContact O-N 3.39Å; A240-P247 HydrophobicContact CB-CG 3.92Å; A240-M252 HydrophobicContact CB-SD 4.11Å
241L97.3Very high97Very high2 Ų224.5 Ų24.51%0.0114%0.136CC..G310 helixtrans-51.4-40.6178.8179.7160.2000113.2H212 L214 V217 S231 N238 P239 E243 G244H212-L241 VanDerWaalsContact O-CD1 3.31Å; H212-L241 WeakPolarHBondContact O-CD1 3.35Å; L214-L241 WeakPolarHBondContact CB-O 3.38Å; V217-L241 HydrophobicContact CG2-CD2 4.39Å; S231-L241 WeakPolarHBondContact OG-CD1 3.38Å; N238-L241 VanDerWaalsContact O-CB 3.24Å; N238-L241 WeakPolarHBondContact O-CB 3.47Å; N238-L241 PolarHBondContact O-N 3.47Å; N238-L241 VanDerWaalsContact O-N 3.16Å; P239-L241 PolarHBondContact O-N 2.94Å; P239-L241 VanDerWaalsContact O-N 3.13Å; L241-E243 VanDerWaalsContact C-N 3.35Å; L241-G244 PolarHBondContact O-N 2.96Å
242F98.2Very high97Very high7 Ų724.5 Ų24.53%0.03114%0.136CC..G310 helixtrans-80.5-13.1-177.4-62.9-59.4000114.1F19 V20 V21 A41 V217 A240 G244F19-F242 HydrophobicContact CB-CB 4.25Å; F19-F242 HydrophobicContact CB-CD1 3.53Å; F19-F242 HydrophobicContact CB-CD2 4.16Å; F19-F242 HydrophobicContact CB-CE1 3.79Å; F19-F242 HydrophobicContact CB-CE2 4.38Å; F19-F242 HydrophobicContact CB-CG 3.73Å; F19-F242 HydrophobicContact CB-CZ 4.22Å; F19-F242 AromaticContact CD1-CD1 3.82Å; F19-F242 HydrophobicContact CD1-CD1 3.82Å; F19-F242 HydrophobicContact CD1-CE1 4.25Å; F19-F242 HydrophobicContact CD2-CB 3.86Å; F19-F242 HydrophobicContact CD2-CD1 4.2Å; F19-F242 HydrophobicContact CD2-CG 4.24Å; F19-F242 HydrophobicContact CE2-CB 4.44Å; F19-F242 HydrophobicContact CG-CB 4.12Å; F19-F242 AromaticContact CG-CD1 3.59Å; F19-F242 HydrophobicContact CG-CD1 3.59Å; F19-F242 HydrophobicContact CG-CE1 4.19Å; F19-F242 AromaticContact CG-CG 3.97Å; F19-F242 HydrophobicContact CG-CG 3.97Å; V20-F242 WeakPolarHBondContact O-CZ 3.47Å; V21-F242 HydrophobicContact CG2-CE2 4.07Å; A41-F242 HydrophobicContact CB-CD2 4.09Å; A41-F242 HydrophobicContact CB-CE2 4.2Å; V217-F242 HydrophobicContact CG2-CD1 4.43Å; V217-F242 HydrophobicContact CG2-CE1 4.11Å; A240-F242 VanDerWaalsContact C-N 3.26Å; A240-F242 PolarHBondContact O-N 3.32Å; F242-G244 VanDerWaalsContact C-N 3.35Å
243E97.1Very high97.1Very high75 Ų7523.3 Ų23.335%0.3513%0.126SC..G310 helixtrans-85.8-10.8168-60176.1165.700112.2H39 A240 L241 R245H39-E243 VanDerWaalsContact CA-OE1 3.31Å; H39-E243 WeakPolarHBondContact CA-OE1 3.39Å; H39-E243 HydrophobicContact CB-CG 4.2Å; H39-E243 IonicContact CG-OE1 3.1Å; H39-E243 IonicContact ND1-OE1 3.48Å; H39-E243 PolarHBondContact ND1-OE1 3.04Å; H39-E243 IonicContact ND1-OE2 2.98Å; A240-E243 PolarHBondContact O-N 3.28Å; L241-E243 VanDerWaalsContact C-N 3.35Å; E243-R245 HydrophobicContact CB-CG 4.26Å; E243-R245 PolarHBondContact O-N 2.81Å; E243-R245 IonicContact OE1-NH2 3.75Å; E243-R245 IonicContact OE2-CZ 2.76Å; E243-R245 IonicContact OE2-NE 3.5Å; E243-R245 PolarHBondContact OE2-NE 2.8Å; E243-R245 IonicContact OE2-NH2 3.65Å; E243-R245 PolarHBondContact OE2-NH2 3.3Å
244G96.1Very high97.3Very high49 Ų4923 Ų2351%0.50513%0.125SC..THydrogen-bonded Turntrans739.1-172.300000114.4A240 L241 F242A240-G244 PolarHBondContact O-N 3.01Å; L241-G244 PolarHBondContact O-N 2.96Å; F242-G244 VanDerWaalsContact C-N 3.35Å
245R96Very high97.4Very high93 Ų9325.4 Ų25.435%0.35114%0.136SC..  trans-86.8153.5176-64.9-163.9-60.4128.42.6111.9N238 A240 E243 E251N238-R245 PolarHBondContact ND2-O 2.95Å; A240-R245 HydrophobicContact CB-CB 4.12Å; A240-R245 PolarHBondContact O-N 3.39Å; E243-R245 HydrophobicContact CB-CG 4.26Å; E243-R245 PolarHBondContact O-N 2.81Å; E243-R245 IonicContact OE1-NH2 3.75Å; E243-R245 IonicContact OE2-CZ 2.76Å; E243-R245 IonicContact OE2-NE 3.5Å; E243-R245 PolarHBondContact OE2-NE 2.8Å; E243-R245 IonicContact OE2-NH2 3.65Å; E243-R245 PolarHBondContact OE2-NH2 3.3Å; R245-E251 IonicContact CZ-OE1 3.73Å; R245-E251 IonicContact NH1-OE1 3.32Å; R245-E251 PolarHBondContact NH1-OE1 2.95Å; R245-E251 IonicContact NH2-OE1 3.54Å
246S96.3Very high97.4Very high49 Ų4925.4 Ų25.434%0.34314%0.136SC..  trans-121.882.1164.4-66.80000108.7I333 C334S246-I333 WeakPolarHBondContact O-CG2 3.38Å; S246-C334 VanDerWaalsContact CB-O 3.31Å; S246-C334 WeakPolarHBondContact CB-O 3.47Å; S246-C334 PolarHBondContact OG-O 2.98Å
247P97.1Very high97.5Very high6 Ų625.6 Ų25.64%0.03914%0.137CC..  trans-72.6168.5-179.729.8-35.1000112.1A240 E251 M252 C334A240-P247 HydrophobicContact CB-CG 3.92Å; P247-E251 HydrophobicContact CB-CB 4.48Å; P247-E251 VanDerWaalsContact CB-OE1 3.26Å; P247-E251 WeakPolarHBondContact CB-OE1 3.4Å; P247-M252 HydrophobicContact CB-CE 4.23Å; P247-M252 HydrophobicContact CB-CG 4.49Å; P247-M252 HydrophobicContact CG-CE 3.77Å; P247-M252 HydrophobicContact CG-CG 3.6Å; P247-M252 HydrophobicContact CG-SD 3.62Å; P247-C334 HydrophobicContact CG-CB 4.44Å; P247-C334 VanDerWaalsContact O-CB 3.29Å; P247-C334 WeakPolarHBondContact O-CB 3.46Å; P247-C334 PolarHBondContact O-N 3.2Å
248P97.7Very high97.5Very high30 Ų3029.6 Ų29.620%0.19516%0.155CC..BIsolated β-bridgetrans-60.1140.9168-21.934.2000112.3W250 E251 W332 I333P248-W250 HydrophobicContact CB-CD2 3.71Å; P248-W250 HydrophobicContact CB-CE3 3.96Å; P248-W250 HydrophobicContact CB-CG 4.41Å; P248-W250 HydrophobicContact CB-CH2 3.67Å; P248-W250 HydrophobicContact CB-CZ2 3.38Å; P248-W250 HydrophobicContact CB-CZ3 3.94Å; P248-W250 HydrophobicContact CG-CH2 4.24Å; P248-W250 HydrophobicContact CG-CZ2 3.79Å; P248-W250 PolarHBondContact O-N 3.13Å; P248-W250 VanDerWaalsContact O-N 3.08Å; P248-E251 WeakPolarHBondContact CD-OE2 3.49Å; P248-E251 WeakPolarHBondContact O-CB 3.41Å; P248-E251 PolarHBondContact O-N 2.92Å; P248-W332 CarbonylContact C-O 3.31Å; P248-W332 VanDerWaalsContact CA-O 3.27Å; P248-W332 WeakPolarHBondContact CA-O 3.47Å; P248-I333 HydrophobicContact CG-CD1 4.37Å
249V97.6Very high97.4Very high2 Ų229.2 Ų29.21%0.01215%0.154CC..Hα-helixtrans-66.8-15.2-173.4-58.50000114.1A253 L278 W279 L309 W332 C334V249-A253 WeakPolarHBondContact O-CB 3.5Å; V249-L278 WeakPolarHBondContact CG1-O 3.18Å; V249-W279 HydrophobicContact CG2-CG 4.49Å; V249-W279 PolarHBondContact O-NE1 2.97Å; V249-L309 HydrophobicContact CG2-CD2 4.14Å; V249-W332 WeakPolarHBondContact CG1-O 3.42Å; V249-W332 PolarHBondContact N-O 2.9Å; V249-C334 HydrophobicContact CG1-CB 4.46Å
250W97.1Very high97.4Very high25 Ų2529.7 Ų29.710%0.09516%0.156CC..Hα-helixtrans-81.4-30.617263.975.6000112.8P248 A253 E254 L309 K310 C313 Q314 I317 W332P248-W250 HydrophobicContact CB-CD2 3.71Å; P248-W250 HydrophobicContact CB-CE3 3.96Å; P248-W250 HydrophobicContact CB-CG 4.41Å; P248-W250 HydrophobicContact CB-CH2 3.67Å; P248-W250 HydrophobicContact CB-CZ2 3.38Å; P248-W250 HydrophobicContact CB-CZ3 3.94Å; P248-W250 HydrophobicContact CG-CH2 4.24Å; P248-W250 HydrophobicContact CG-CZ2 3.79Å; P248-W250 PolarHBondContact O-N 3.13Å; P248-W250 VanDerWaalsContact O-N 3.08Å; W250-A253 PolarHBondContact O-N 3.42Å; W250-E254 WeakPolarHBondContact O-CB 3.32Å; W250-E254 VanDerWaalsContact O-CG 3.3Å; W250-E254 WeakPolarHBondContact O-CG 3.44Å; W250-E254 PolarHBondContact O-N 3.03Å; W250-L309 HydrophobicContact CB-CD2 4.49Å; W250-K310 HydrophobicContact CB-CB 3.9Å; W250-K310 HydrophobicContact CB-CD 4.3Å; W250-K310 HydrophobicContact CB-CG 4.24Å; W250-K310 HydrophobicContact CD2-CB 4.22Å; W250-K310 HydrophobicContact CD2-CG 3.92Å; W250-K310 HydrophobicContact CG-CB 3.89Å; W250-K310 HydrophobicContact CG-CD 3.87Å; W250-K310 HydrophobicContact CG-CG 3.71Å; W250-C313 HydrophobicContact CE3-CB 4.11Å; W250-C313 HydrophobicContact CH2-CB 4.36Å; W250-C313 HydrophobicContact CZ3-CB 3.47Å; W250-C313 VanDerWaalsContact CZ3-CB 3.47Å; W250-Q314 HydrophobicContact CH2-CG 4.43Å; W250-Q314 HydrophobicContact CZ2-CG 4.41Å; W250-I317 HydrophobicContact CH2-CD1 3.85Å; W250-W332 HydrophobicContact CZ3-CB 3.84Å; W250-W332 HydrophobicContact CZ3-CG 4.22Å
251E97.8Very high97.2Very high57 Ų5735.8 Ų35.827%0.26618%0.183SC..Hα-helixtrans-58.8-54.6178.1-178.2-177.5123.500109.2R245 P247 P248 A253 E254 E255R245-E251 IonicContact CZ-OE1 3.73Å; R245-E251 IonicContact NH1-OE1 3.32Å; R245-E251 PolarHBondContact NH1-OE1 2.95Å; R245-E251 IonicContact NH2-OE1 3.54Å; P247-E251 HydrophobicContact CB-CB 4.48Å; P247-E251 VanDerWaalsContact CB-OE1 3.26Å; P247-E251 WeakPolarHBondContact CB-OE1 3.4Å; P248-E251 WeakPolarHBondContact CD-OE2 3.49Å; P248-E251 WeakPolarHBondContact O-CB 3.41Å; P248-E251 PolarHBondContact O-N 2.92Å; E251-A253 VanDerWaalsContact C-N 3.25Å; E251-A253 PolarHBondContact O-N 3.33Å; E251-E254 PolarHBondContact O-N 2.94Å; E251-E255 PolarHBondContact O-N 2.88Å
252M98.1Very high97.1Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-61.8-30.5177-58.9-66.991.200113.4H39 P239 A240 P247 E255 Y256 L278H39-M252 WeakPolarHBondContact NE2-CE 3.25Å; P239-M252 HydrophobicContact CB-SD 3.93Å; P239-M252 HydrophobicContact CG-CB 4.13Å; P239-M252 HydrophobicContact CG-CG 4.27Å; P239-M252 HydrophobicContact CG-SD 4.09Å; A240-M252 HydrophobicContact CB-SD 4.11Å; P247-M252 HydrophobicContact CB-CE 4.23Å; P247-M252 HydrophobicContact CB-CG 4.49Å; P247-M252 HydrophobicContact CG-CE 3.77Å; P247-M252 HydrophobicContact CG-CG 3.6Å; P247-M252 HydrophobicContact CG-SD 3.62Å; M252-E255 WeakPolarHBondContact CE-OE1 3.45Å; M252-Y256 WeakPolarHBondContact O-CB 3.26Å; M252-Y256 PolarHBondContact O-N 3.31Å; M252-L278 HydrophobicContact CB-CD1 4.4Å; M252-L278 HydrophobicContact CB-CD2 4.02Å
253A98Very high96.7Very high0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-79.1-37.817800000112.5V249 W250 E251 Y256 L257 L275 L278 W279V249-A253 WeakPolarHBondContact O-CB 3.5Å; W250-A253 PolarHBondContact O-N 3.42Å; E251-A253 VanDerWaalsContact C-N 3.25Å; E251-A253 PolarHBondContact O-N 3.33Å; A253-Y256 PolarHBondContact O-N 3.22Å; A253-L257 WeakPolarHBondContact O-CB 3.49Å; A253-L257 WeakPolarHBondContact O-CG 3.32Å; A253-L257 PolarHBondContact O-N 3.24Å; A253-L275 HydrophobicContact CB-CD2 3.69Å; A253-L278 HydrophobicContact CB-CD1 4.17Å; A253-W279 HydrophobicContact CB-CZ2 3.49Å; A253-W279 VanDerWaalsContact CB-CZ2 3.49Å
254E98Very high96.1Very high75 Ų7542.7 Ų42.735%0.3522%0.221SC..Hα-helixtrans-65.1-47174.6-73.9174.9140.800110.4W250 E251 L257 E258 K310W250-E254 WeakPolarHBondContact O-CB 3.32Å; W250-E254 VanDerWaalsContact O-CG 3.3Å; W250-E254 WeakPolarHBondContact O-CG 3.44Å; W250-E254 PolarHBondContact O-N 3.03Å; E251-E254 PolarHBondContact O-N 2.94Å; E254-L257 PolarHBondContact O-N 3.29Å; E254-E258 PolarHBondContact O-N 3.24Å; E254-K310 VanDerWaalsContact OE1-CD 3.25Å; E254-K310 WeakPolarHBondContact OE1-CD 3.42Å; E254-K310 IonicContact OE1-NZ 3.7Å; E254-K310 PolarHBondContact OE1-NZ 3.16Å; E254-K310 IonicContact OE2-NZ 3.6Å; E254-K310 PolarHBondContact OE2-NZ 3.44Å
255E98.2Very high95.5Very high50 Ų5044.5 Ų44.523%0.23422%0.224CC..Hα-helixtrans-60.2-46173-73.3-164.5-12000112.2L35 H39 E251 M252 L257 E258 V259L35-E255 HydrophobicContact CD1-CB 3.78Å; H39-E255 IonicContact CE1-OE1 2.75Å; H39-E255 IonicContact CE1-OE2 3.21Å; H39-E255 IonicContact NE2-OE1 2.57Å; H39-E255 IonicContact NE2-OE2 2.76Å; E251-E255 PolarHBondContact O-N 2.88Å; M252-E255 WeakPolarHBondContact CE-OE1 3.45Å; E255-L257 VanDerWaalsContact C-N 3.35Å; E255-L257 PolarHBondContact O-N 2.91Å; E255-E258 WeakPolarHBondContact O-CB 3.1Å; E255-E258 PolarHBondContact O-N 3.09Å; E255-E258 VanDerWaalsContact O-N 3.13Å; E255-V259 WeakPolarHBondContact O-CG2 3.33Å; E255-V259 PolarHBondContact O-N 3.13Å
256Y98.4Very high95.2Very high0 Ų041.2 Ų41.20%022%0.215CC..Hα-helixtrans-61-42.9177.6177.2-118.9000112.4E29 A31 W32 L35 M252 A253 E258 V259 V260 I271 H274E29-Y256 PolarHBondContact OE1-OH 3.16Å; A31-Y256 HydrophobicContact CB-CE2 3.83Å; W32-Y256 HydrophobicContact CB-CE2 4.41Å; W32-Y256 AromaticContact CE3-CD2 3.72Å; W32-Y256 HydrophobicContact CE3-CD2 3.72Å; W32-Y256 AromaticContact CE3-CE2 3.74Å; W32-Y256 HydrophobicContact CE3-CE2 3.74Å; W32-Y256 HydrophobicContact CE3-CG 4.17Å; W32-Y256 HydrophobicContact CZ3-CD1 4.42Å; W32-Y256 HydrophobicContact CZ3-CD2 4.15Å; W32-Y256 HydrophobicContact CZ3-CE2 4.47Å; W32-Y256 HydrophobicContact CZ3-CG 4.14Å; L35-Y256 HydrophobicContact CD2-CD2 4.05Å; L35-Y256 HydrophobicContact CD2-CG 4.22Å; M252-Y256 WeakPolarHBondContact O-CB 3.26Å; M252-Y256 PolarHBondContact O-N 3.31Å; A253-Y256 PolarHBondContact O-N 3.22Å; Y256-E258 VanDerWaalsContact C-N 3.27Å; Y256-E258 PolarHBondContact O-N 3.18Å; Y256-V259 PolarHBondContact O-N 3.29Å; Y256-V260 HydrophobicContact CD1-CG2 4.47Å; Y256-V260 HydrophobicContact CD2-CG2 4.21Å; Y256-V260 HydrophobicContact CE1-CG2 3.98Å; Y256-V260 HydrophobicContact CE2-CG2 3.7Å; Y256-V260 WeakPolarHBondContact O-CB 3.4Å; Y256-V260 VanDerWaalsContact O-CG2 3.26Å; Y256-V260 WeakPolarHBondContact O-CG2 3.45Å; Y256-V260 PolarHBondContact O-N 3.24Å; Y256-I271 HydrophobicContact CE1-CB 4.24Å; Y256-I271 HydrophobicContact CE1-CG1 4.4Å; Y256-I271 HydrophobicContact CE1-CG2 3.87Å; Y256-H274 HydrophobicContact CD1-CB 4.42Å; Y256-H274 HydrophobicContact CE1-CB 3.91Å; Y256-H274 AromaticContact CZ-CD2 3.62Å; Y256-H274 PolarHBondContact OH-CD2 2.99Å; Y256-H274 VanDerWaalsContact OH-CD2 3.24Å
257L97.8Very high94.9Very high6 Ų640.8 Ų40.83%0.03121%0.212CC..Hα-helixtrans-67.4-26.6176.5-72.4170.9000112.6A253 E254 E255 K261 I271 L299 L302 A303A253-L257 WeakPolarHBondContact O-CB 3.49Å; A253-L257 WeakPolarHBondContact O-CG 3.32Å; A253-L257 PolarHBondContact O-N 3.24Å; E254-L257 PolarHBondContact O-N 3.29Å; E255-L257 VanDerWaalsContact C-N 3.35Å; E255-L257 PolarHBondContact O-N 2.91Å; L257-K261 VanDerWaalsContact O-CG 3.32Å; L257-K261 WeakPolarHBondContact O-CG 3.47Å; L257-K261 PolarHBondContact O-N 2.86Å; L257-I271 HydrophobicContact CD2-CG2 3.65Å; L257-L299 HydrophobicContact CD2-CD1 3.69Å; L257-L302 HydrophobicContact CD2-CB 4.44Å; L257-A303 HydrophobicContact CD1-CB 4.33Å
258E97.4Very high94.8Very high88 Ų8843.1 Ų43.141%0.41122%0.224SC..Hα-helixtrans-69.4-51.5170-166.2-156.6-162.900111.2R38 E254 E255 Y256 V260 K261 Q262R38-E258 IonicContact NH1-OE2 2.82Å; R38-E258 PolarHBondContact NH1-OE2 2.99Å; E254-E258 PolarHBondContact O-N 3.24Å; E255-E258 WeakPolarHBondContact O-CB 3.1Å; E255-E258 PolarHBondContact O-N 3.09Å; E255-E258 VanDerWaalsContact O-N 3.13Å; Y256-E258 VanDerWaalsContact C-N 3.27Å; Y256-E258 PolarHBondContact O-N 3.18Å; E258-V260 VanDerWaalsContact C-N 3.26Å; E258-V260 PolarHBondContact O-N 3.45Å; E258-K261 WeakPolarHBondContact O-CA 3.39Å; E258-K261 WeakPolarHBondContact O-CB 3.29Å; E258-K261 PolarHBondContact O-N 3.45Å; E258-Q262 WeakPolarHBondContact O-CG 3.3Å; E258-Q262 PolarHBondContact O-N 3.03Å; E258-Q262 PolarHBondContact OE1-NE2 2.89Å
259V96.8Very high94.7Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-57.1-41.7176.9178.30000110.9A31 L34 R38 E255 Y256 K261 Q262 Y263A31-V259 HydrophobicContact CB-CG1 3.94Å; A31-V259 WeakPolarHBondContact O-CG1 3.48Å; L34-V259 HydrophobicContact CB-CG1 3.88Å; L34-V259 HydrophobicContact CD1-CG1 4.24Å; R38-V259 VanDerWaalsContact CZ-CG2 3.48Å; E255-V259 WeakPolarHBondContact O-CG2 3.33Å; E255-V259 PolarHBondContact O-N 3.13Å; Y256-V259 PolarHBondContact O-N 3.29Å; V259-K261 VanDerWaalsContact C-N 3.25Å; V259-K261 PolarHBondContact O-N 2.87Å; V259-Q262 PolarHBondContact O-N 3.45Å; V259-Q262 VanDerWaalsContact O-N 3.12Å; V259-Y263 HydrophobicContact CG1-CD2 3.82Å; V259-Y263 HydrophobicContact CG1-CE2 4.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.24Å; V259-Y263 PolarHBondContact O-N 2.92Å
260V95.9Very high94.5Very high9 Ų946.8 Ų46.86%0.05524%0.244CC..Hα-helixtrans-58.4-34.2175.2161.60000113.1A31 Y256 E258 C266 I271 L299A31-V260 HydrophobicContact CB-CG2 3.79Å; Y256-V260 HydrophobicContact CD1-CG2 4.47Å; Y256-V260 HydrophobicContact CD2-CG2 4.21Å; Y256-V260 HydrophobicContact CE1-CG2 3.98Å; Y256-V260 HydrophobicContact CE2-CG2 3.7Å; Y256-V260 WeakPolarHBondContact O-CB 3.4Å; Y256-V260 VanDerWaalsContact O-CG2 3.26Å; Y256-V260 WeakPolarHBondContact O-CG2 3.45Å; Y256-V260 PolarHBondContact O-N 3.24Å; E258-V260 VanDerWaalsContact C-N 3.26Å; E258-V260 PolarHBondContact O-N 3.45Å; V260-C266 HydrophobicContact CG1-CB 4.25Å; V260-C266 HydrophobicContact CG2-CB 4.3Å; V260-I271 HydrophobicContact CG1-CD1 3.52Å; V260-I271 HydrophobicContact CG1-CG1 4.08Å; V260-I271 HydrophobicContact CG2-CD1 4.4Å; V260-I271 HydrophobicContact CG2-CG1 4.04Å; V260-L299 HydrophobicContact CG1-CD1 3.96Å; V260-L299 HydrophobicContact CG1-CD2 4.17Å
261K95.1Very high94.5Very high128 Ų12845.8 Ų45.856%0.55724%0.241SC*.Hα-helixtrans-76.1-35.2175.4-68.5166.1-175.4173.30112.1L257 E258 V259 L299L257-K261 VanDerWaalsContact O-CG 3.32Å; L257-K261 WeakPolarHBondContact O-CG 3.47Å; L257-K261 PolarHBondContact O-N 2.86Å; E258-K261 WeakPolarHBondContact O-CA 3.39Å; E258-K261 WeakPolarHBondContact O-CB 3.29Å; E258-K261 PolarHBondContact O-N 3.45Å; V259-K261 VanDerWaalsContact C-N 3.25Å; V259-K261 PolarHBondContact O-N 2.87Å; K261-L299 HydrophobicContact CG-CD2 3.75Å
262Q93.8Very high94.5Very high88 Ų8845.3 Ų45.341%0.41124%0.237SC..Hα-helixtrans-73.8-36.8-179.2-70.3170.7-3.600112.4E258 V259 P264E258-Q262 WeakPolarHBondContact O-CG 3.3Å; E258-Q262 PolarHBondContact O-N 3.03Å; E258-Q262 PolarHBondContact OE1-NE2 2.89Å; V259-Q262 PolarHBondContact O-N 3.45Å; V259-Q262 VanDerWaalsContact O-N 3.12Å; Q262-P264 VanDerWaalsContact O-CD 3.26Å; Q262-P264 WeakPolarHBondContact O-CD 3.36Å
263Y90.5Very high94.4Very high52 Ų5246.8 Ų46.820%0.20425%0.249CC..SBendtrans-12266.2-174.2-54.5-97.7000112.6L30 L34 E72 V259L30-Y263 HydrophobicContact CD2-CD1 4.49Å; L34-Y263 HydrophobicContact CD1-CD1 3.54Å; L34-Y263 HydrophobicContact CD1-CD2 3.58Å; L34-Y263 HydrophobicContact CD1-CE1 3.64Å; L34-Y263 HydrophobicContact CD1-CE2 3.75Å; L34-Y263 HydrophobicContact CD1-CG 3.51Å; E72-Y263 PolarHBondContact OE1-OH 2.83Å; E72-Y263 PolarHBondContact OE2-OH 2.81Å; V259-Y263 HydrophobicContact CG1-CD2 3.82Å; V259-Y263 HydrophobicContact CG1-CE2 4.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.24Å; V259-Y263 PolarHBondContact O-N 2.92Å
264P85.1Confident94.4Very high90 Ų9046.8 Ų46.858%0.58425%0.249SC*.  trans-72.8156.3173.732.6-35.8000112Q262Q262-P264 VanDerWaalsContact O-CD 3.26Å; Q262-P264 WeakPolarHBondContact O-CD 3.36Å
265P83.7Confident94.4Very high86 Ų8643.2 Ų43.256%0.55823%0.232SC*.  cis-83.2147.6-3.233.2-35.4000113.1Y66Y66-P265 HydrophobicContact CE1-CG 4.46Å; Y66-P265 PolarHBondContact OH-O 3.07Å
266C88.3Confident94.4Very high25 Ų2543.2 Ų43.217%0.16923%0.231CC..  trans-131.7136160.9-177.10000108.8V260 I271V260-C266 HydrophobicContact CG1-CB 4.25Å; V260-C266 HydrophobicContact CG2-CB 4.3Å; C266-I271 HydrophobicContact CB-CD1 4.39Å; C266-I271 HydrophobicContact CB-CG1 4.46Å
267S91.4Very high94.3Very high39 Ų3944.9 Ų44.927%0.27324%0.239SC..  trans-75.9138.6-176.3840000111.4S269 Y270 I271S267-S269 WeakPolarHBondContact CB-OG 3.47Å; S267-S269 PolarHBondContact O-N 3.39Å; S267-S269 PolarHBondContact OG-OG 2.9Å; S267-Y270 PolarHBondContact O-N 3.31Å; S267-Y270 WeakPolarHBondContact OG-CD1 3.33Å; S267-Y270 VanDerWaalsContact OG-CD2 3.28Å; S267-Y270 WeakPolarHBondContact OG-CD2 3.42Å; S267-Y270 WeakPolarHBondContact OG-CE1 3.34Å; S267-Y270 PolarHBondContact OG-N 3.19Å; S267-I271 WeakPolarHBondContact O-CG1 3.46Å; S267-I271 PolarHBondContact O-N 3.03Å; S267-I271 VanDerWaalsContact O-N 3.14Å
268L94.4Very high94.3Very high56 Ų5644.9 Ų44.929%0.29324%0.238SC..Hα-helixtrans-57.1-21172.9-71.3170.3000113I271 R272 K297 L302L268-I271 HydrophobicContact CD2-CD1 4.23Å; L268-R272 VanDerWaalsContact O-CB 3.27Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.76Å; L268-R272 PolarHBondContact O-NH1 3.31Å; L268-K297 WeakPolarHBondContact CD1-O 3.33Å; L268-L302 HydrophobicContact CD2-CD1 3.76Å
269S94.6Very high94.3Very high70 Ų7040.7 Ų40.749%0.4922%0.219SC..Hα-helixtrans-64.4-49.2170.113.70000112.2S267 A273S267-S269 WeakPolarHBondContact CB-OG 3.47Å; S267-S269 PolarHBondContact O-N 3.39Å; S267-S269 PolarHBondContact OG-OG 2.9Å; S269-A273 WeakPolarHBondContact O-CB 3.18Å; S269-A273 PolarHBondContact O-N 3.01Å
270Y94.8Very high94.2Very high39 Ų3942.7 Ų42.715%0.15323%0.228CC..Hα-helixtrans-65.1-49.3-179.7-55.3-17.3000109.8D26 E29 S267 R272 A273 H274D26-Y270 HydrophobicContact CB-CD1 3.6Å; D26-Y270 HydrophobicContact CB-CE1 3.45Å; D26-Y270 VanDerWaalsContact CB-CE1 3.45Å; D26-Y270 VanDerWaalsContact CG-CE1 3.49Å; D26-Y270 WeakPolarHBondContact O-CD1 3.31Å; D26-Y270 VanDerWaalsContact OD1-CE1 3.28Å; D26-Y270 WeakPolarHBondContact OD1-CE1 3.43Å; D26-Y270 PolarHBondContact OD1-OH 2.99Å; E29-Y270 HydrophobicContact CB-CD2 4.1Å; E29-Y270 HydrophobicContact CB-CE2 4.37Å; E29-Y270 HydrophobicContact CG-CD2 3.98Å; S267-Y270 PolarHBondContact O-N 3.31Å; S267-Y270 WeakPolarHBondContact OG-CD1 3.33Å; S267-Y270 VanDerWaalsContact OG-CD2 3.28Å; S267-Y270 WeakPolarHBondContact OG-CD2 3.42Å; S267-Y270 WeakPolarHBondContact OG-CE1 3.34Å; S267-Y270 PolarHBondContact OG-N 3.19Å; Y270-R272 VanDerWaalsContact C-N 3.35Å; Y270-R272 PolarHBondContact O-N 2.81Å; Y270-A273 WeakPolarHBondContact O-CA 3.25Å; Y270-A273 WeakPolarHBondContact O-CB 3.38Å; Y270-A273 PolarHBondContact O-N 2.95Å; Y270-H274 PolarHBondContact O-CD2 3.41Å; Y270-H274 PolarHBondContact O-N 3.44Å
271I97.1Very high94.1Very high3 Ų343.4 Ų43.42%0.01523%0.231CC..Hα-helixtrans-56.2-50.6-178.4-54.4160.5000110.4Y256 L257 V260 C266 S267 L268 A273 H274 L275 L299 L302Y256-I271 HydrophobicContact CE1-CB 4.24Å; Y256-I271 HydrophobicContact CE1-CG1 4.4Å; Y256-I271 HydrophobicContact CE1-CG2 3.87Å; L257-I271 HydrophobicContact CD2-CG2 3.65Å; V260-I271 HydrophobicContact CG1-CD1 3.52Å; V260-I271 HydrophobicContact CG1-CG1 4.08Å; V260-I271 HydrophobicContact CG2-CD1 4.4Å; V260-I271 HydrophobicContact CG2-CG1 4.04Å; C266-I271 HydrophobicContact CB-CD1 4.39Å; C266-I271 HydrophobicContact CB-CG1 4.46Å; S267-I271 WeakPolarHBondContact O-CG1 3.46Å; S267-I271 PolarHBondContact O-N 3.03Å; S267-I271 VanDerWaalsContact O-N 3.14Å; L268-I271 HydrophobicContact CD2-CD1 4.23Å; I271-A273 VanDerWaalsContact C-N 3.33Å; I271-A273 PolarHBondContact O-N 3.38Å; I271-H274 PolarHBondContact O-N 2.87Å; I271-L275 HydrophobicContact CG2-CD1 4.3Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 2.79Å; I271-L299 HydrophobicContact CD1-CD1 4.14Å; I271-L302 HydrophobicContact CB-CD1 4.02Å; I271-L302 HydrophobicContact CG2-CD1 3.58Å
272R97.3Very high94.2Very high48 Ų4837.3 Ų37.318%0.18121%0.205CC..Hα-helixtrans-63.4-36.2177.7-168-168-63.6856.6112.7L268 Y270 F276 L293 V296L268-R272 VanDerWaalsContact O-CB 3.27Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.76Å; L268-R272 PolarHBondContact O-NH1 3.31Å; Y270-R272 VanDerWaalsContact C-N 3.35Å; Y270-R272 PolarHBondContact O-N 2.81Å; R272-F276 HydrophobicContact CG-CD2 3.92Å; R272-F276 HydrophobicContact CG-CE2 3.68Å; R272-F276 WeakPolarHBondContact O-CD2 3.47Å; R272-F276 PolarHBondContact O-N 3.01Å; R272-L293 WeakPolarHBondContact CD-O 3.21Å; R272-L293 HydrophobicContact CG-CD1 3.96Å; R272-L293 HydrophobicContact CG-CG 4.01Å; R272-L293 WeakPolarHBondContact CG-O 3.19Å; R272-L293 PolarHBondContact NE-O 2.82Å; R272-L293 VanDerWaalsContact NE-O 3.13Å; R272-V296 PolarHBondContact NH2-O 2.9Å
273A96.8Very high94.3Very high31 Ų3133.1 Ų33.126%0.25619%0.185SC..Hα-helixtrans-65.6-40.5178.400000111.8S269 Y270 I271 F276 K277S269-A273 WeakPolarHBondContact O-CB 3.18Å; S269-A273 PolarHBondContact O-N 3.01Å; Y270-A273 WeakPolarHBondContact O-CA 3.25Å; Y270-A273 WeakPolarHBondContact O-CB 3.38Å; Y270-A273 PolarHBondContact O-N 2.95Å; I271-A273 VanDerWaalsContact C-N 3.33Å; I271-A273 PolarHBondContact O-N 3.38Å; A273-F276 PolarHBondContact O-N 2.86Å; A273-K277 WeakPolarHBondContact O-CG 3.39Å; A273-K277 PolarHBondContact O-N 3.05Å
274H98Very high94.4Very high0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-66.4-45174.1-71.8-56.8000112.6Q27 E29 W32 Y256 Y270 I271 F276 K277 L278Q27-H274 VanDerWaalsContact CA-CE1 3.48Å; Q27-H274 WeakPolarHBondContact CA-CE1 3.45Å; Q27-H274 PolarHBondContact O-CE1 3.28Å; E29-H274 IonicContact OE1-CD2 2.7Å; E29-H274 PolarHBondContact OE1-CD2 3.48Å; E29-H274 IonicContact OE1-NE2 3.59Å; E29-H274 PolarHBondContact OE1-NE2 3.04Å; E29-H274 IonicContact OE2-CD2 3.85Å; E29-H274 IonicContact OE2-CE1 3.15Å; E29-H274 IonicContact OE2-NE2 2.96Å; E29-H274 PolarHBondContact OE2-NE2 3.48Å; W32-H274 AromaticContact CD2-CE1 3.33Å; W32-H274 AromaticContact CD2-ND1 3.57Å; W32-H274 AromaticContact CD2-NE2 3.86Å; W32-H274 AromaticContact CE2-CE1 3.97Å; W32-H274 HydrophobicContact CE3-CB 3.98Å; W32-H274 AromaticContact CE3-CD2 3.78Å; W32-H274 AromaticContact CE3-CE1 3.49Å; W32-H274 VanDerWaalsContact CE3-CE1 3.49Å; W32-H274 AromaticContact CE3-CG 3.48Å; W32-H274 VanDerWaalsContact CE3-CG 3.48Å; W32-H274 AromaticContact CE3-ND1 3.38Å; W32-H274 AromaticContact CE3-NE2 3.77Å; W32-H274 AromaticContact CG-CE1 3.5Å; W32-H274 AromaticContact CG-NE2 3.85Å; W32-H274 HydrophobicContact CH2-CB 4.49Å; W32-H274 HydrophobicContact CZ3-CB 3.71Å; W32-H274 AromaticContact CZ3-CG 3.7Å; W32-H274 AromaticContact CZ3-ND1 3.65Å; Y256-H274 HydrophobicContact CD1-CB 4.42Å; Y256-H274 HydrophobicContact CE1-CB 3.91Å; Y256-H274 AromaticContact CZ-CD2 3.62Å; Y256-H274 PolarHBondContact OH-CD2 2.99Å; Y256-H274 VanDerWaalsContact OH-CD2 3.24Å; Y270-H274 PolarHBondContact O-CD2 3.41Å; Y270-H274 PolarHBondContact O-N 3.44Å; I271-H274 PolarHBondContact O-N 2.87Å; H274-F276 VanDerWaalsContact C-N 3.29Å; H274-F276 PolarHBondContact O-N 3.24Å; H274-K277 WeakPolarHBondContact O-CA 3.34Å; H274-K277 WeakPolarHBondContact O-CB 3.45Å; H274-K277 PolarHBondContact O-N 3.48Å; H274-L278 PolarHBondContact O-N 3.13Å
275L98Very high94.8Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-60.7-37.3174.7-64.1-179.3000112.2A253 I271 K277 W279 L293 L302A253-L275 HydrophobicContact CB-CD2 3.69Å; I271-L275 HydrophobicContact CG2-CD1 4.3Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 2.79Å; L275-K277 PolarHBondContact O-N 3.15Å; L275-W279 HydrophobicContact CB-CD2 4.33Å; L275-W279 HydrophobicContact CB-CE3 3.91Å; L275-W279 HydrophobicContact CB-CH2 4.19Å; L275-W279 HydrophobicContact CB-CZ3 3.83Å; L275-W279 HydrophobicContact CD1-CH2 3.79Å; L275-W279 HydrophobicContact CD1-CZ3 3.99Å; L275-W279 HydrophobicContact CD2-CH2 3.77Å; L275-W279 HydrophobicContact CD2-CZ2 3.64Å; L275-W279 HydrophobicContact CD2-CZ3 4.3Å; L275-W279 HydrophobicContact CG-CH2 4.1Å; L275-W279 HydrophobicContact CG-CZ2 4.44Å; L275-W279 HydrophobicContact CG-CZ3 4.24Å; L275-W279 VanDerWaalsContact O-CB 3.31Å; L275-W279 WeakPolarHBondContact O-CB 3.17Å; L275-W279 PolarHBondContact O-N 3.37Å; L275-L293 HydrophobicContact CB-CD1 4.18Å; L275-L293 HydrophobicContact CB-CD2 4.07Å; L275-L293 HydrophobicContact CD1-CD1 4.02Å; L275-L302 HydrophobicContact CD1-CB 4.08Å; L275-L302 HydrophobicContact CD1-CD2 4.27Å
276F97.6Very high95.3Very high50 Ų5030.5 Ų30.522%0.21916%0.161CC..Hα-helixtrans-66.2-20.9171.7-86-54.3000114.7R272 A273 H274 L283 R290 L293 A294R272-F276 HydrophobicContact CG-CD2 3.92Å; R272-F276 HydrophobicContact CG-CE2 3.68Å; R272-F276 WeakPolarHBondContact O-CD2 3.47Å; R272-F276 PolarHBondContact O-N 3.01Å; A273-F276 PolarHBondContact O-N 2.86Å; H274-F276 VanDerWaalsContact C-N 3.29Å; H274-F276 PolarHBondContact O-N 3.24Å; F276-L283 HydrophobicContact CD1-CD1 3.66Å; F276-L283 HydrophobicContact CE1-CD1 4.07Å; F276-R290 HydrophobicContact CE1-CG 3.91Å; F276-L293 HydrophobicContact CD1-CD2 3.7Å; F276-L293 HydrophobicContact CD1-CG 4.5Å; F276-L293 HydrophobicContact CD2-CD2 4.25Å; F276-L293 HydrophobicContact CE1-CB 4.35Å; F276-L293 HydrophobicContact CE1-CD2 3.7Å; F276-L293 HydrophobicContact CE1-CG 4.1Å; F276-L293 HydrophobicContact CE2-CD2 4.27Å; F276-L293 HydrophobicContact CE2-CG 4.14Å; F276-L293 HydrophobicContact CG-CD2 3.96Å; F276-L293 HydrophobicContact CZ-CB 4.19Å; F276-L293 HydrophobicContact CZ-CD2 3.99Å; F276-L293 HydrophobicContact CZ-CG 3.9Å; F276-A294 HydrophobicContact CZ-CB 4.07Å
277K96.4Very high95.6Very high35 Ų3535.6 Ų35.615%0.15218%0.182CC..Hα-helixtrans-86.3-55.4176.8-75.9-75.2-168169.90111E233 L236 H237 A273 H274 L275 W279 H280E233-K277 VanDerWaalsContact CD-NZ 3.25Å; E233-K277 IonicContact OE1-NZ 3.28Å; E233-K277 PolarHBondContact OE1-NZ 3.31Å; E233-K277 VanDerWaalsContact OE1-NZ 3.17Å; E233-K277 IonicContact OE2-NZ 2.65Å; E233-K277 PolarHBondContact OE2-NZ 3.49Å; L236-K277 HydrophobicContact CB-CB 4.37Å; L236-K277 HydrophobicContact CB-CD 4.41Å; L236-K277 HydrophobicContact CB-CG 4.41Å; L236-K277 WeakPolarHBondContact O-CB 3.44Å; H237-K277 PolarHBondContact CE1-O 2.83Å; H237-K277 PolarHBondContact ND1-O 2.97Å; H237-K277 WeakPolarHBondContact NE2-CD 3.49Å; A273-K277 WeakPolarHBondContact O-CG 3.39Å; A273-K277 PolarHBondContact O-N 3.05Å; H274-K277 WeakPolarHBondContact O-CA 3.34Å; H274-K277 WeakPolarHBondContact O-CB 3.45Å; H274-K277 PolarHBondContact O-N 3.48Å; L275-K277 PolarHBondContact O-N 3.15Å; K277-W279 VanDerWaalsContact C-N 3.33Å; K277-W279 PolarHBondContact O-N 3.24Å; K277-H280 VanDerWaalsContact O-CB 3.26Å; K277-H280 WeakPolarHBondContact O-CB 3.41Å; K277-H280 PolarHBondContact O-N 2.95Å; K277-H280 VanDerWaalsContact O-N 3.15Å
278L97Very high95.9Very high5 Ų537.5 Ų37.53%0.02619%0.189CC..Hα-helixtrans-51.6-51.8175.2-73.6173000111.3W32 P239 V249 M252 A253 H274 H280W32-L278 HydrophobicContact CH2-CD1 4.11Å; W32-L278 HydrophobicContact CH2-CD2 4.04Å; W32-L278 HydrophobicContact CH2-CG 4.04Å; W32-L278 HydrophobicContact CZ3-CD1 4.16Å; P239-L278 HydrophobicContact CG-CD2 3.9Å; V249-L278 WeakPolarHBondContact CG1-O 3.18Å; M252-L278 HydrophobicContact CB-CD1 4.4Å; M252-L278 HydrophobicContact CB-CD2 4.02Å; A253-L278 HydrophobicContact CB-CD1 4.17Å; H274-L278 PolarHBondContact O-N 3.13Å; L278-H280 VanDerWaalsContact C-N 3.28Å; L278-H280 PolarHBondContact O-N 3Å
279W97.3Very high96.1Very high1 Ų134.9 Ų34.90%0.00418%0.175CC..THydrogen-bonded Turntrans-89.717.9-176.1-50.7-27.4000113.5V249 A253 L275 K277 H281 T282 L283 L293 V305 S306 L309V249-W279 HydrophobicContact CG2-CG 4.49Å; V249-W279 PolarHBondContact O-NE1 2.97Å; A253-W279 HydrophobicContact CB-CZ2 3.49Å; A253-W279 VanDerWaalsContact CB-CZ2 3.49Å; L275-W279 HydrophobicContact CB-CD2 4.33Å; L275-W279 HydrophobicContact CB-CE3 3.91Å; L275-W279 HydrophobicContact CB-CH2 4.19Å; L275-W279 HydrophobicContact CB-CZ3 3.83Å; L275-W279 HydrophobicContact CD1-CH2 3.79Å; L275-W279 HydrophobicContact CD1-CZ3 3.99Å; L275-W279 HydrophobicContact CD2-CH2 3.77Å; L275-W279 HydrophobicContact CD2-CZ2 3.64Å; L275-W279 HydrophobicContact CD2-CZ3 4.3Å; L275-W279 HydrophobicContact CG-CH2 4.1Å; L275-W279 HydrophobicContact CG-CZ2 4.44Å; L275-W279 HydrophobicContact CG-CZ3 4.24Å; L275-W279 VanDerWaalsContact O-CB 3.31Å; L275-W279 WeakPolarHBondContact O-CB 3.17Å; L275-W279 PolarHBondContact O-N 3.37Å; K277-W279 VanDerWaalsContact C-N 3.33Å; K277-W279 PolarHBondContact O-N 3.24Å; W279-H281 VanDerWaalsContact C-N 3.28Å; W279-H281 PolarHBondContact O-N 3.45Å; W279-H281 VanDerWaalsContact O-N 3.14Å; W279-T282 PolarHBondContact O-N 3.24Å; W279-L283 HydrophobicContact CB-CD1 3.81Å; W279-L283 HydrophobicContact CB-CD2 4.49Å; W279-L283 HydrophobicContact CB-CG 3.7Å; W279-L283 HydrophobicContact CE3-CD1 4.36Å; W279-L283 VanDerWaalsContact O-CB 3.3Å; W279-L283 WeakPolarHBondContact O-CB 3.5Å; W279-L283 VanDerWaalsContact O-CG 3.25Å; W279-L283 WeakPolarHBondContact O-CG 3.38Å; W279-L283 PolarHBondContact O-N 3.26Å; W279-L293 HydrophobicContact CE3-CD2 3.89Å; W279-L293 HydrophobicContact CZ3-CD1 4.21Å; W279-L293 HydrophobicContact CZ3-CD2 4.02Å; W279-V305 HydrophobicContact CZ3-CG1 3.93Å; W279-S306 WeakPolarHBondContact CZ2-OG 3.37Å; W279-L309 HydrophobicContact CB-CD1 3.94Å; W279-L309 HydrophobicContact CD2-CD1 3.57Å; W279-L309 HydrophobicContact CE3-CD1 3.78Å; W279-L309 HydrophobicContact CG-CD1 3.65Å; W279-L309 HydrophobicContact CZ3-CD1 4.45Å
280H95.3Very high96.2Very high41 Ų4135.9 Ų35.919%0.1917%0.168CC..THydrogen-bonded Turntrans-50.8-46.3-169.5177.172.2000113.6K277 L278 Q284 Y337K277-H280 VanDerWaalsContact O-CB 3.26Å; K277-H280 WeakPolarHBondContact O-CB 3.41Å; K277-H280 PolarHBondContact O-N 2.95Å; K277-H280 VanDerWaalsContact O-N 3.15Å; L278-H280 VanDerWaalsContact C-N 3.28Å; L278-H280 PolarHBondContact O-N 3Å; H280-Q284 WeakPolarHBondContact O-CG 3.34Å; H280-Q284 PolarHBondContact O-NE2 2.95Å; H280-Y337 AromaticContact CD2-CD2 3.51Å; H280-Y337 AromaticContact NE2-CD2 3.33Å; H280-Y337 VanDerWaalsContact NE2-CD2 3.33Å; H280-Y337 WeakPolarHBondContact NE2-CD2 3.44Å; H280-Y337 AromaticContact NE2-CE2 3.33Å; H280-Y337 VanDerWaalsContact NE2-CE2 3.33Å; H280-Y337 WeakPolarHBondContact NE2-CE2 3.35Å
281H94.6Very high96.3Very high25 Ų2539.6 Ų39.612%0.11619%0.187CC..THydrogen-bonded Turntrans-74.6-51.9-178.9-62.4-55.7000111.7W279 L283 Q284 L327 H331 Q335 P336W279-H281 VanDerWaalsContact C-N 3.28Å; W279-H281 PolarHBondContact O-N 3.45Å; W279-H281 VanDerWaalsContact O-N 3.14Å; H281-L283 PolarHBondContact O-N 3.49Å; H281-Q284 WeakPolarHBondContact O-CB 3.34Å; H281-Q284 PolarHBondContact O-N 2.86Å; H281-L327 HydrophobicContact CB-CD1 3.88Å; H281-H331 HydrophobicContact CB-CB 4.09Å; H281-Q335 VanDerWaalsContact CD2-CG 3.4Å; H281-Q335 WeakPolarHBondContact CD2-CG 3.34Å; H281-P336 PolarHBondContact NE2-O 3.33Å
282T95.5Very high96.3Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-53.2-38.6174.9-63.50000113.1W279 Q284 I285 H286 L309 H331W279-T282 PolarHBondContact O-N 3.24Å; T282-Q284 VanDerWaalsContact C-N 3.26Å; T282-Q284 PolarHBondContact O-N 3.38Å; T282-I285 PolarHBondContact O-N 3.04Å; T282-I285 VanDerWaalsContact O-N 3.11Å; T282-H286 VanDerWaalsContact CG2-CD2 3.43Å; T282-H286 WeakPolarHBondContact CG2-CD2 3.29Å; T282-H286 PolarHBondContact O-N 2.94Å; T282-L309 HydrophobicContact CG2-CD1 3.71Å; T282-L309 HydrophobicContact CG2-CD2 4.13Å; T282-L309 HydrophobicContact CG2-CG 3.8Å; T282-H331 PolarHBondContact OG1-ND1 2.83Å; T282-H331 PolarHBondContact OG1-O 3.28Å
283L96.1Very high96.3Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-75.6-4177.2-65.8179.3000114.6F276 W279 H281 L289 R290 L293 L309F276-L283 HydrophobicContact CD1-CD1 3.66Å; F276-L283 HydrophobicContact CE1-CD1 4.07Å; W279-L283 HydrophobicContact CB-CD1 3.81Å; W279-L283 HydrophobicContact CB-CD2 4.49Å; W279-L283 HydrophobicContact CB-CG 3.7Å; W279-L283 HydrophobicContact CE3-CD1 4.36Å; W279-L283 VanDerWaalsContact O-CB 3.3Å; W279-L283 WeakPolarHBondContact O-CB 3.5Å; W279-L283 VanDerWaalsContact O-CG 3.25Å; W279-L283 WeakPolarHBondContact O-CG 3.38Å; W279-L283 PolarHBondContact O-N 3.26Å; H281-L283 PolarHBondContact O-N 3.49Å; L283-L289 HydrophobicContact CD2-CB 4.07Å; L283-R290 HydrophobicContact CB-CB 4.05Å; L283-R290 HydrophobicContact CB-CG 4.12Å; L283-R290 HydrophobicContact CD2-CB 4.14Å; L283-R290 WeakPolarHBondContact O-CD 3.45Å; L283-L293 HydrophobicContact CD1-CD2 3.74Å; L283-L309 HydrophobicContact CD2-CD1 4.19Å
284Q93.1Very high96.3Very high87 Ų8741.4 Ų41.441%0.40720%0.203SC..Hα-helixtrans-79.2-27.6165.1-55.4-45-62.100111.6H280 H281 T282 Q287H280-Q284 WeakPolarHBondContact O-CG 3.34Å; H280-Q284 PolarHBondContact O-NE2 2.95Å; H281-Q284 WeakPolarHBondContact O-CB 3.34Å; H281-Q284 PolarHBondContact O-N 2.86Å; T282-Q284 VanDerWaalsContact C-N 3.26Å; T282-Q284 PolarHBondContact O-N 3.38Å; Q284-Q287 VanDerWaalsContact O-CG 3.28Å; Q284-Q287 WeakPolarHBondContact O-CG 3.4Å; Q284-Q287 PolarHBondContact O-NE2 3.42Å
285I92.9Very high96.3Very high70 Ų7047.7 Ų47.736%0.35923%0.23SC..Hα-helixtrans-89.5-56.2-179-65.6164.9000109.3T282 Q287 H331T282-I285 PolarHBondContact O-N 3.04Å; T282-I285 VanDerWaalsContact O-N 3.11Å; I285-Q287 VanDerWaalsContact C-N 3.33Å; I285-Q287 PolarHBondContact O-N 3.21Å; I285-H331 HydrophobicContact CD1-CB 3.9Å; I285-H331 WeakPolarHBondContact CD1-CD2 3.3Å; I285-H331 VanDerWaalsContact CD1-CG 3.47Å
286H94.4Very high96.2Very high15 Ų1548.5 Ų48.57%0.06924%0.235CC..  trans-85.372.7174.5-48.4-39.2000111.1T282 D288 L289 R290 E316T282-H286 VanDerWaalsContact CG2-CD2 3.43Å; T282-H286 WeakPolarHBondContact CG2-CD2 3.29Å; T282-H286 PolarHBondContact O-N 2.94Å; H286-D288 PolarHBondContact O-N 3.1Å; H286-L289 HydrophobicContact CB-CB 4.11Å; H286-L289 HydrophobicContact CB-CD1 3.84Å; H286-L289 HydrophobicContact CB-CG 4.04Å; H286-L289 PolarHBondContact O-N 3.04Å; H286-R290 PolarHBondContact O-N 2.99Å; H286-R290 VanDerWaalsContact O-N 3.13Å; H286-E316 IonicContact CE1-OE1 3.09Å; H286-E316 IonicContact CE1-OE2 3.63Å; H286-E316 PolarHBondContact CE1-OE2 2.62Å; H286-E316 IonicContact NE2-OE2 3.66Å
287Q95.6Very high96.1Very high133 Ų13354.4 Ų54.462%0.62126%0.26SS*.Hα-helixtrans-67.1-24.6-177-61.3-175.616.600113.2Q284 I285 R290 E291Q284-Q287 VanDerWaalsContact O-CG 3.28Å; Q284-Q287 WeakPolarHBondContact O-CG 3.4Å; Q284-Q287 PolarHBondContact O-NE2 3.42Å; I285-Q287 VanDerWaalsContact C-N 3.33Å; I285-Q287 PolarHBondContact O-N 3.21Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.04Å; Q287-E291 PolarHBondContact O-N 2.78Å
288D97.4Very high96.1Very high79 Ų7956.1 Ų56.142%0.42227%0.274SS..Hα-helixtrans-67.7-46.5172.965.1-44.5000111.6H286 R290 E291 E292 R312H286-D288 PolarHBondContact O-N 3.1Å; D288-R290 PolarHBondContact O-N 3.07Å; D288-E291 WeakPolarHBondContact O-CB 3.36Å; D288-E291 PolarHBondContact O-N 3.49Å; D288-E291 VanDerWaalsContact O-N 3.11Å; D288-E292 PolarHBondContact O-N 3.33Å; D288-R312 IonicContact OD1-NH1 3.36Å; D288-R312 PolarHBondContact OD1-NH1 3.01Å; D288-R312 IonicContact OD2-CZ 2.9Å; D288-R312 IonicContact OD2-NH1 3.05Å; D288-R312 PolarHBondContact OD2-NH1 3.33Å; D288-R312 IonicContact OD2-NH2 3.51Å; D288-R312 PolarHBondContact OD2-NH2 2.93Å
289L97.6Very high96Very high0 Ų057.5 Ų57.50%028%0.281CS..Hα-helixtrans-62.4-33.3172.9-64.4-177.5000111.6L283 H286 E291 E292 L293 V305 Q308 L309L283-L289 HydrophobicContact CD2-CB 4.07Å; H286-L289 HydrophobicContact CB-CB 4.11Å; H286-L289 HydrophobicContact CB-CD1 3.84Å; H286-L289 HydrophobicContact CB-CG 4.04Å; H286-L289 PolarHBondContact O-N 3.04Å; L289-E291 VanDerWaalsContact C-N 3.34Å; L289-E292 PolarHBondContact O-N 3.1Å; L289-L293 VanDerWaalsContact O-CB 3.3Å; L289-L293 WeakPolarHBondContact O-CB 3.42Å; L289-L293 PolarHBondContact O-N 2.87Å; L289-V305 HydrophobicContact CB-CG1 4.5Å; L289-Q308 HydrophobicContact CD2-CB 3.91Å; L289-L309 HydrophobicContact CD1-CB 3.92Å; L289-L309 HydrophobicContact CD1-CG 4.44Å
290R97.6Very high96Very high91 Ų9163.9 Ų63.934%0.34331%0.311SS..Hα-helixtrans-62.6-41.9173.8-170.6-172177.169.411.9111.8F276 L283 H286 Q287 D288 A294F276-R290 HydrophobicContact CE1-CG 3.91Å; L283-R290 HydrophobicContact CB-CB 4.05Å; L283-R290 HydrophobicContact CB-CG 4.12Å; L283-R290 HydrophobicContact CD2-CB 4.14Å; L283-R290 WeakPolarHBondContact O-CD 3.45Å; H286-R290 PolarHBondContact O-N 2.99Å; H286-R290 VanDerWaalsContact O-N 3.13Å; Q287-R290 WeakPolarHBondContact O-CB 3.29Å; Q287-R290 PolarHBondContact O-N 3.04Å; D288-R290 PolarHBondContact O-N 3.07Å; R290-A294 PolarHBondContact O-N 2.73Å
291E97.3Very high96.1Very high118 Ų11862.6 Ų62.655%0.55131%0.309SS*.Hα-helixtrans-69.4-39.1174.1-80.3-160-156.300112.8Q287 D288 L289 A294 K295Q287-E291 PolarHBondContact O-N 2.78Å; D288-E291 WeakPolarHBondContact O-CB 3.36Å; D288-E291 PolarHBondContact O-N 3.49Å; D288-E291 VanDerWaalsContact O-N 3.11Å; L289-E291 VanDerWaalsContact C-N 3.34Å; E291-A294 WeakPolarHBondContact O-CB 3.47Å; E291-A294 PolarHBondContact O-N 2.76Å; E291-K295 VanDerWaalsContact O-CD 3.27Å; E291-K295 WeakPolarHBondContact O-CD 3.46Å; E291-K295 WeakPolarHBondContact O-CE 3.49Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 3.09Å; E291-K295 IonicContact OE2-NZ 2.68Å; E291-K295 PolarHBondContact OE2-NZ 3.38Å
292E97.4Very high96.2Very high60 Ų6061.4 Ų61.428%0.2830%0.304SS..Hα-helixtrans-63.4-50.5177.6-167-179.9159.300110.8D288 L289 A294 K295 V296 H304 V305 Q308D288-E292 PolarHBondContact O-N 3.33Å; L289-E292 PolarHBondContact O-N 3.1Å; E292-A294 PolarHBondContact O-N 2.89Å; E292-A294 VanDerWaalsContact O-N 3.15Å; E292-K295 WeakPolarHBondContact O-CA 3.48Å; E292-K295 PolarHBondContact O-N 3.21Å; E292-V296 HydrophobicContact CG-CG2 4.26Å; E292-V296 WeakPolarHBondContact O-CG2 3.44Å; E292-V296 PolarHBondContact O-N 3.43Å; E292-H304 IonicContact OE1-CD2 2.67Å; E292-V305 HydrophobicContact CB-CG2 4.23Å; E292-V305 HydrophobicContact CG-CG2 3.76Å; E292-V305 WeakPolarHBondContact OE1-CG2 3.41Å; E292-Q308 PolarHBondContact OE1-NE2 2.62Å; E292-Q308 PolarHBondContact OE2-NE2 3.42Å
293L97.5Very high96.2Very high0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-53.3-37175.7-178.159.1000112.6R272 L275 F276 W279 L283 L289 K295 L302 V305R272-L293 WeakPolarHBondContact CD-O 3.21Å; R272-L293 HydrophobicContact CG-CD1 3.96Å; R272-L293 HydrophobicContact CG-CG 4.01Å; R272-L293 WeakPolarHBondContact CG-O 3.19Å; R272-L293 PolarHBondContact NE-O 2.82Å; R272-L293 VanDerWaalsContact NE-O 3.13Å; L275-L293 HydrophobicContact CB-CD1 4.18Å; L275-L293 HydrophobicContact CB-CD2 4.07Å; L275-L293 HydrophobicContact CD1-CD1 4.02Å; F276-L293 HydrophobicContact CD1-CD2 3.7Å; F276-L293 HydrophobicContact CD1-CG 4.5Å; F276-L293 HydrophobicContact CD2-CD2 4.25Å; F276-L293 HydrophobicContact CE1-CB 4.35Å; F276-L293 HydrophobicContact CE1-CD2 3.7Å; F276-L293 HydrophobicContact CE1-CG 4.1Å; F276-L293 HydrophobicContact CE2-CD2 4.27Å; F276-L293 HydrophobicContact CE2-CG 4.14Å; F276-L293 HydrophobicContact CG-CD2 3.96Å; F276-L293 HydrophobicContact CZ-CB 4.19Å; F276-L293 HydrophobicContact CZ-CD2 3.99Å; F276-L293 HydrophobicContact CZ-CG 3.9Å; W279-L293 HydrophobicContact CE3-CD2 3.89Å; W279-L293 HydrophobicContact CZ3-CD1 4.21Å; W279-L293 HydrophobicContact CZ3-CD2 4.02Å; L283-L293 HydrophobicContact CD1-CD2 3.74Å; L289-L293 VanDerWaalsContact O-CB 3.3Å; L289-L293 WeakPolarHBondContact O-CB 3.42Å; L289-L293 PolarHBondContact O-N 2.87Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.29Å; L293-L302 HydrophobicContact CD1-CD2 3.49Å; L293-L302 VanDerWaalsContact CD1-CD2 3.49Å; L293-V305 HydrophobicContact CB-CG1 4.34Å
294A96.6Very high96.3Very high60 Ų6067.9 Ų67.950%0.49634%0.339SS..Hα-helixtrans-67.7-29.1175.500000113.6F276 R290 E291 E292F276-A294 HydrophobicContact CZ-CB 4.07Å; R290-A294 PolarHBondContact O-N 2.73Å; E291-A294 WeakPolarHBondContact O-CB 3.47Å; E291-A294 PolarHBondContact O-N 2.76Å; E292-A294 PolarHBondContact O-N 2.89Å; E292-A294 VanDerWaalsContact O-N 3.15Å
295K96.4Very high96.5Very high131 Ų13163.8 Ų63.857%0.5732%0.32SS*.Hα-helixtrans-93.8-28.6-174.1-66.2161.6-165.9167.80113.3E291 E292 L293 K297E291-K295 VanDerWaalsContact O-CD 3.27Å; E291-K295 WeakPolarHBondContact O-CD 3.46Å; E291-K295 WeakPolarHBondContact O-CE 3.49Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.36Å; E291-K295 PolarHBondContact O-N 3.09Å; E291-K295 IonicContact OE2-NZ 2.68Å; E291-K295 PolarHBondContact OE2-NZ 3.38Å; E292-K295 WeakPolarHBondContact O-CA 3.48Å; E292-K295 PolarHBondContact O-N 3.21Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.29Å; K295-K297 WeakPolarHBondContact O-CG 3.41Å
296V96.1Very high96.7Very high18 Ų1860.6 Ų60.611%0.10930%0.304CS..  trans-56.4140.9-178165.90000112.8R272 E292 T298 L302 V305R272-V296 PolarHBondContact NH2-O 2.9Å; E292-V296 HydrophobicContact CG-CG2 4.26Å; E292-V296 WeakPolarHBondContact O-CG2 3.44Å; E292-V296 PolarHBondContact O-N 3.43Å; V296-T298 WeakPolarHBondContact CG1-O 3.5Å; V296-L302 HydrophobicContact CB-CD2 4.03Å; V296-L302 HydrophobicContact CG1-CD2 3.57Å; V296-L302 HydrophobicContact CG1-CG 3.69Å; V296-V305 HydrophobicContact CG2-CG2 4.05Å
297K96.1Very high96.9Very high173 Ų17362.3 Ų62.375%0.75232%0.321SS*.  trans-128.78.7-176-57.8-176.3-175.31720115.1L268 K295L268-K297 WeakPolarHBondContact CD1-O 3.33Å; K295-K297 WeakPolarHBondContact O-CG 3.41Å
298T96.5Very high97Very high72 Ų7257.9 Ų57.944%0.44230%0.3SS..SBendtrans-136.4159.3-179.265.10000109.9V296 E300 G301 L302V296-T298 WeakPolarHBondContact CG1-O 3.5Å; T298-E300 VanDerWaalsContact C-N 3.34Å; T298-E300 VanDerWaalsContact CB-OE2 3.3Å; T298-E300 WeakPolarHBondContact CB-OE2 3.47Å; T298-G301 PolarHBondContact O-N 3.14Å; T298-G301 PolarHBondContact OG1-N 3.18Å; T298-L302 WeakPolarHBondContact O-CG 3.31Å; T298-L302 PolarHBondContact O-N 3.04Å
299L95.7Very high97Very high34 Ų3454.1 Ų54.118%0.17828%0.28CS..Hα-helixtrans-70.8-36.5-179.5-177.958.5000111.1L257 V260 K261 I271 G301 L302 A303L257-L299 HydrophobicContact CD2-CD1 3.69Å; V260-L299 HydrophobicContact CG1-CD1 3.96Å; V260-L299 HydrophobicContact CG1-CD2 4.17Å; K261-L299 HydrophobicContact CG-CD2 3.75Å; I271-L299 HydrophobicContact CD1-CD1 4.14Å; L299-G301 VanDerWaalsContact C-N 3.31Å; L299-G301 PolarHBondContact O-N 3.35Å; L299-L302 PolarHBondContact O-N 3.32Å; L299-L302 VanDerWaalsContact O-N 3.13Å; L299-A303 PolarHBondContact O-N 3.46Å
300E96.4Very high97Very high134 Ų13456.6 Ų56.663%0.62629%0.291SS*.Hα-helixtrans-62.5-39.4176.4-56.568.5-146.600110.6T298 A303 H304T298-E300 VanDerWaalsContact C-N 3.34Å; T298-E300 VanDerWaalsContact CB-OE2 3.3Å; T298-E300 WeakPolarHBondContact CB-OE2 3.47Å; E300-A303 PolarHBondContact O-N 2.84Å; E300-H304 WeakPolarHBondContact O-CB 3.18Å; E300-H304 PolarHBondContact O-N 2.99Å
301G97.2Very high97Very high15 Ų1557.5 Ų57.516%0.15530%0.299CS..Hα-helixtrans-66.9-34.2174.200000112.9T298 L299 H304 V305T298-G301 PolarHBondContact O-N 3.14Å; T298-G301 PolarHBondContact OG1-N 3.18Å; L299-G301 VanDerWaalsContact C-N 3.31Å; L299-G301 PolarHBondContact O-N 3.35Å; G301-H304 PolarHBondContact O-N 2.93Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 3.42Å; G301-V305 VanDerWaalsContact O-N 3.08Å
302L96.5Very high96.9Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-70.1-40176-64.9175.9000110.7L257 L268 I271 L275 L293 V296 T298 L299 H304 V305 S306L257-L302 HydrophobicContact CD2-CB 4.44Å; L268-L302 HydrophobicContact CD2-CD1 3.76Å; I271-L302 HydrophobicContact CB-CD1 4.02Å; I271-L302 HydrophobicContact CG2-CD1 3.58Å; L275-L302 HydrophobicContact CD1-CB 4.08Å; L275-L302 HydrophobicContact CD1-CD2 4.27Å; L293-L302 HydrophobicContact CD1-CD2 3.49Å; L293-L302 VanDerWaalsContact CD1-CD2 3.49Å; V296-L302 HydrophobicContact CB-CD2 4.03Å; V296-L302 HydrophobicContact CG1-CD2 3.57Å; V296-L302 HydrophobicContact CG1-CG 3.69Å; T298-L302 WeakPolarHBondContact O-CG 3.31Å; T298-L302 PolarHBondContact O-N 3.04Å; L299-L302 PolarHBondContact O-N 3.32Å; L299-L302 VanDerWaalsContact O-N 3.13Å; L302-H304 VanDerWaalsContact C-N 3.33Å; L302-V305 PolarHBondContact O-N 3.36Å; L302-S306 PolarHBondContact O-N 2.81Å
303A96.4Very high96.8Very high32 Ų3252 Ų5226%0.26427%0.27SS..Hα-helixtrans-63.9-36.8172.100000112.4L257 L299 E300 S306 A307L257-A303 HydrophobicContact CD1-CB 4.33Å; L299-A303 PolarHBondContact O-N 3.46Å; E300-A303 PolarHBondContact O-N 2.84Å; A303-S306 WeakPolarHBondContact O-CB 3.32Å; A303-S306 PolarHBondContact O-N 3.23Å; A303-A307 PolarHBondContact O-N 3.06Å
304H97.6Very high96.6Very high104 Ų10456.4 Ų56.448%0.48129%0.291SS..Hα-helixtrans-64.1-44.2175-176.763.7000112.6E292 E300 G301 L302 S306 A307 Q308E292-H304 IonicContact OE1-CD2 2.67Å; E300-H304 WeakPolarHBondContact O-CB 3.18Å; E300-H304 PolarHBondContact O-N 2.99Å; G301-H304 PolarHBondContact O-N 2.93Å; L302-H304 VanDerWaalsContact C-N 3.33Å; H304-S306 VanDerWaalsContact C-N 3.29Å; H304-S306 PolarHBondContact O-N 3.49Å; H304-A307 PolarHBondContact O-N 2.98Å; H304-Q308 PolarHBondContact CD2-NE2 3.23Å; H304-Q308 PolarHBondContact NE2-NE2 3.26Å; H304-Q308 VanDerWaalsContact NE2-NE2 3.14Å; H304-Q308 PolarHBondContact O-N 3.28Å
305V97.8Very high96.5Very high0 Ų058.7 Ų58.70%029%0.291CS..Hα-helixtrans-61.6-38.7172.8176.60000111.2W279 L289 E292 L293 V296 G301 L302 A307 Q308 L309W279-V305 HydrophobicContact CZ3-CG1 3.93Å; L289-V305 HydrophobicContact CB-CG1 4.5Å; E292-V305 HydrophobicContact CB-CG2 4.23Å; E292-V305 HydrophobicContact CG-CG2 3.76Å; E292-V305 WeakPolarHBondContact OE1-CG2 3.41Å; L293-V305 HydrophobicContact CB-CG1 4.34Å; V296-V305 HydrophobicContact CG2-CG2 4.05Å; G301-V305 WeakPolarHBondContact O-CG2 3.46Å; G301-V305 PolarHBondContact O-N 3.42Å; G301-V305 VanDerWaalsContact O-N 3.08Å; L302-V305 PolarHBondContact O-N 3.36Å; V305-A307 PolarHBondContact O-N 3.08Å; V305-Q308 PolarHBondContact O-N 2.88Å; V305-L309 WeakPolarHBondContact O-CB 3.49Å; V305-L309 PolarHBondContact O-N 3.36Å
306S97.2Very high96.3Very high3 Ų353.7 Ų53.72%0.02127%0.27CS..Hα-helixtrans-59.7-44.2174.3-164.30000112.2W279 L302 A303 H304 L309 K310W279-S306 WeakPolarHBondContact CZ2-OG 3.37Å; L302-S306 PolarHBondContact O-N 2.81Å; A303-S306 WeakPolarHBondContact O-CB 3.32Å; A303-S306 PolarHBondContact O-N 3.23Å; H304-S306 VanDerWaalsContact C-N 3.29Å; H304-S306 PolarHBondContact O-N 3.49Å; S306-L309 PolarHBondContact O-N 3.25Å; S306-K310 WeakPolarHBondContact O-CB 3.18Å; S306-K310 PolarHBondContact O-N 2.9Å
307A97.8Very high96Very high51 Ų5156.7 Ų56.742%0.42129%0.285SS..Hα-helixtrans-66.4-43.9178.400000112.2A303 H304 V305 L309 K310 Q311A303-A307 PolarHBondContact O-N 3.06Å; H304-A307 PolarHBondContact O-N 2.98Å; V305-A307 PolarHBondContact O-N 3.08Å; A307-L309 PolarHBondContact O-N 3.37Å; A307-K310 PolarHBondContact O-N 3.13Å; A307-Q311 WeakPolarHBondContact O-CB 3.35Å; A307-Q311 PolarHBondContact O-N 3.44Å
308Q97.8Very high95.7Very high40 Ų4053.5 Ų53.519%0.18728%0.284CS..Hα-helixtrans-60.3-44173.7-76-167.858.900112.1L289 E292 H304 V305 Q311 R312L289-Q308 HydrophobicContact CD2-CB 3.91Å; E292-Q308 PolarHBondContact OE1-NE2 2.62Å; E292-Q308 PolarHBondContact OE2-NE2 3.42Å; H304-Q308 PolarHBondContact CD2-NE2 3.23Å; H304-Q308 PolarHBondContact NE2-NE2 3.26Å; H304-Q308 VanDerWaalsContact NE2-NE2 3.14Å; H304-Q308 PolarHBondContact O-N 3.28Å; V305-Q308 PolarHBondContact O-N 2.88Å; Q308-Q311 PolarHBondContact O-N 3.15Å; Q308-R312 WeakPolarHBondContact O-CG 3.41Å; Q308-R312 PolarHBondContact O-N 3.4Å; Q308-R312 VanDerWaalsContact O-N 3.08Å
309L97.4Very high95Very high0 Ų053.1 Ų53.10%029%0.294CS..Hα-helixtrans-61.8-47.2178.8-176148000111.2V249 W250 W279 T282 L283 L289 V305 S306 A307 R312 C313V249-L309 HydrophobicContact CG2-CD2 4.14Å; W250-L309 HydrophobicContact CB-CD2 4.49Å; W279-L309 HydrophobicContact CB-CD1 3.94Å; W279-L309 HydrophobicContact CD2-CD1 3.57Å; W279-L309 HydrophobicContact CE3-CD1 3.78Å; W279-L309 HydrophobicContact CG-CD1 3.65Å; W279-L309 HydrophobicContact CZ3-CD1 4.45Å; T282-L309 HydrophobicContact CG2-CD1 3.71Å; T282-L309 HydrophobicContact CG2-CD2 4.13Å; T282-L309 HydrophobicContact CG2-CG 3.8Å; L283-L309 HydrophobicContact CD2-CD1 4.19Å; L289-L309 HydrophobicContact CD1-CB 3.92Å; L289-L309 HydrophobicContact CD1-CG 4.44Å; V305-L309 WeakPolarHBondContact O-CB 3.49Å; V305-L309 PolarHBondContact O-N 3.36Å; S306-L309 PolarHBondContact O-N 3.25Å; A307-L309 PolarHBondContact O-N 3.37Å; L309-R312 PolarHBondContact O-N 2.94Å; L309-C313 PolarHBondContact O-N 3.25Å; L309-C313 VanDerWaalsContact O-N 3.1Å; L309-C313 PolarHBondContact O-SG 3.02Å; L309-C313 VanDerWaalsContact O-SG 3.34Å
310K97.6Very high94Very high52 Ų5254.5 Ų54.523%0.22632%0.317CS..Hα-helixtrans-57.3-49.3176.2177.3171.6178.6171.20111.7W250 E254 S306 A307 R312 C313 Q314W250-K310 HydrophobicContact CB-CB 3.9Å; W250-K310 HydrophobicContact CB-CD 4.3Å; W250-K310 HydrophobicContact CB-CG 4.24Å; W250-K310 HydrophobicContact CD2-CB 4.22Å; W250-K310 HydrophobicContact CD2-CG 3.92Å; W250-K310 HydrophobicContact CG-CB 3.89Å; W250-K310 HydrophobicContact CG-CD 3.87Å; W250-K310 HydrophobicContact CG-CG 3.71Å; E254-K310 VanDerWaalsContact OE1-CD 3.25Å; E254-K310 WeakPolarHBondContact OE1-CD 3.42Å; E254-K310 IonicContact OE1-NZ 3.7Å; E254-K310 PolarHBondContact OE1-NZ 3.16Å; E254-K310 IonicContact OE2-NZ 3.6Å; E254-K310 PolarHBondContact OE2-NZ 3.44Å; S306-K310 WeakPolarHBondContact O-CB 3.18Å; S306-K310 PolarHBondContact O-N 2.9Å; A307-K310 PolarHBondContact O-N 3.13Å; K310-R312 PolarHBondContact O-N 3.3Å; K310-C313 PolarHBondContact O-N 3.11Å; K310-Q314 WeakPolarHBondContact O-CB 3.31Å; K310-Q314 VanDerWaalsContact O-CG 3.28Å; K310-Q314 WeakPolarHBondContact O-CG 3.47Å; K310-Q314 PolarHBondContact O-N 3.27Å
311Q97.5Very high92.3Very high110 Ų11052 Ų5251%0.51431%0.308SS..Hα-helixtrans-56.9-51.5178.5180-177-14.800111.6A307 Q308 C313 Q314 E315A307-Q311 WeakPolarHBondContact O-CB 3.35Å; A307-Q311 PolarHBondContact O-N 3.44Å; Q308-Q311 PolarHBondContact O-N 3.15Å; Q311-C313 PolarHBondContact O-N 3.45Å; Q311-Q314 WeakPolarHBondContact O-CB 3.25Å; Q311-Q314 PolarHBondContact O-N 3.49Å; Q311-Q314 VanDerWaalsContact O-N 3.11Å; Q311-E315 HydrophobicContact CG-CG 4.49Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.49Å; Q311-E315 PolarHBondContact NE2-OE1 3.01Å; Q311-E315 WeakPolarHBondContact O-CG 3.07Å; Q311-E315 PolarHBondContact O-N 3.05Å
312R95.6Very high90.5Very high63 Ų6358.4 Ų58.424%0.23833%0.334CS..Hα-helixtrans-61.7-42.8-177.9-68-178-163.8-168.37.4112.5D288 Q308 L309 K310 Q314 E315 E316D288-R312 IonicContact OD1-NH1 3.36Å; D288-R312 PolarHBondContact OD1-NH1 3.01Å; D288-R312 IonicContact OD2-CZ 2.9Å; D288-R312 IonicContact OD2-NH1 3.05Å; D288-R312 PolarHBondContact OD2-NH1 3.33Å; D288-R312 IonicContact OD2-NH2 3.51Å; D288-R312 PolarHBondContact OD2-NH2 2.93Å; Q308-R312 WeakPolarHBondContact O-CG 3.41Å; Q308-R312 PolarHBondContact O-N 3.4Å; Q308-R312 VanDerWaalsContact O-N 3.08Å; L309-R312 PolarHBondContact O-N 2.94Å; K310-R312 PolarHBondContact O-N 3.3Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 3.24Å; R312-E315 WeakPolarHBondContact O-CB 3.37Å; R312-E315 PolarHBondContact O-N 3.49Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 2.89Å
313C94.6Very high88.6Confident0 Ų063 Ų630%035%0.354CS..Hα-helixtrans-67.7-32.1176.3-61.20000112.3W250 L309 K310 Q311 E316 I317 W332W250-C313 HydrophobicContact CE3-CB 4.11Å; W250-C313 HydrophobicContact CH2-CB 4.36Å; W250-C313 HydrophobicContact CZ3-CB 3.47Å; W250-C313 VanDerWaalsContact CZ3-CB 3.47Å; L309-C313 PolarHBondContact O-N 3.25Å; L309-C313 VanDerWaalsContact O-N 3.1Å; L309-C313 PolarHBondContact O-SG 3.02Å; L309-C313 VanDerWaalsContact O-SG 3.34Å; K310-C313 PolarHBondContact O-N 3.11Å; Q311-C313 PolarHBondContact O-N 3.45Å; C313-E316 PolarHBondContact O-N 3.34Å; C313-I317 WeakPolarHBondContact O-CB 3.44Å; C313-I317 WeakPolarHBondContact O-CD1 3.49Å; C313-I317 WeakPolarHBondContact O-CG1 3.4Å; C313-I317 PolarHBondContact O-N 3.25Å; C313-W332 HydrophobicContact CB-CB 3.87Å; C313-W332 HydrophobicContact CB-CE3 4.48Å; C313-W332 HydrophobicContact CB-CG 4.28Å
314Q94.8Very high86.6Confident93 Ų9368.3 Ų68.344%0.43538%0.378SS..Hα-helixtrans-68.6-35.7172.7-72.9177.3-47.800112.4W250 K310 Q311 R312 S318W250-Q314 HydrophobicContact CH2-CG 4.43Å; W250-Q314 HydrophobicContact CZ2-CG 4.41Å; K310-Q314 WeakPolarHBondContact O-CB 3.31Å; K310-Q314 VanDerWaalsContact O-CG 3.28Å; K310-Q314 WeakPolarHBondContact O-CG 3.47Å; K310-Q314 PolarHBondContact O-N 3.27Å; Q311-Q314 WeakPolarHBondContact O-CB 3.25Å; Q311-Q314 PolarHBondContact O-N 3.49Å; Q311-Q314 VanDerWaalsContact O-N 3.11Å; R312-Q314 VanDerWaalsContact C-N 3.32Å; R312-Q314 PolarHBondContact O-N 3.24Å; Q314-S318 WeakPolarHBondContact O-CB 3.43Å; Q314-S318 PolarHBondContact O-N 3.3Å; Q314-S318 PolarHBondContact O-OG 3.49Å
315E93.4Very high84.8Confident107 Ų10766.4 Ų66.450%0.539%0.386SS..Hα-helixtrans-65.2-43.7171.9-70.6166.2179.500111.2Q311 R312 S318 G319Q311-E315 HydrophobicContact CG-CG 4.49Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.49Å; Q311-E315 PolarHBondContact NE2-OE1 3.01Å; Q311-E315 WeakPolarHBondContact O-CG 3.07Å; Q311-E315 PolarHBondContact O-N 3.05Å; R312-E315 WeakPolarHBondContact O-CB 3.37Å; R312-E315 PolarHBondContact O-N 3.49Å; E315-S318 PolarHBondContact O-N 3.45Å; E315-G319 PolarHBondContact O-N 3.23Å
316E91.4Very high83.7Confident26 Ų2669.6 Ų69.612%0.12142%0.419CS..Hα-helixtrans-63.2-43.7175.7-72.4178.2142.900112.6H286 R312 C313 S318 G319 G320 D321 K323 H331 W332H286-E316 IonicContact CE1-OE1 3.09Å; H286-E316 IonicContact CE1-OE2 3.63Å; H286-E316 PolarHBondContact CE1-OE2 2.62Å; H286-E316 IonicContact NE2-OE2 3.66Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 2.89Å; C313-E316 PolarHBondContact O-N 3.34Å; E316-S318 VanDerWaalsContact C-N 3.3Å; E316-S318 PolarHBondContact O-N 2.91Å; E316-G319 PolarHBondContact O-N 3.1Å; E316-G320 PolarHBondContact O-N 3.26Å; E316-D321 PolarHBondContact O-N 3.13Å; E316-K323 IonicContact OE1-NZ 2.66Å; E316-K323 PolarHBondContact OE1-NZ 3.34Å; E316-K323 VanDerWaalsContact OE1-NZ 3.09Å; E316-H331 IonicContact OE2-CE1 3.5Å; E316-H331 PolarHBondContact OE2-CE1 3.38Å; E316-H331 IonicContact OE2-NE2 3.46Å; E316-H331 PolarHBondContact OE2-NE2 2.99Å; E316-W332 HydrophobicContact CB-CZ3 4.13Å
317I90.5Very high82.9Confident82 Ų8272.2 Ų72.242%0.42143%0.433SS..Hα-helixtrans-58.5-42.7172.8-70.4161.7000111W250 C313 G320 W332W250-I317 HydrophobicContact CH2-CD1 3.85Å; C313-I317 WeakPolarHBondContact O-CB 3.44Å; C313-I317 WeakPolarHBondContact O-CD1 3.49Å; C313-I317 WeakPolarHBondContact O-CG1 3.4Å; C313-I317 PolarHBondContact O-N 3.25Å; I317-G320 PolarHBondContact O-N 3.42Å; I317-W332 HydrophobicContact CD1-CD2 4.37Å; I317-W332 HydrophobicContact CD1-CG 4.47Å; I317-W332 HydrophobicContact CD1-CZ2 4.33Å; I317-W332 HydrophobicContact CG1-CD2 4.23Å; I317-W332 HydrophobicContact CG1-CH2 4.14Å; I317-W332 HydrophobicContact CG1-CZ2 3.49Å; I317-W332 VanDerWaalsContact CG1-CZ2 3.49Å
318S89.7Confident82.3Confident106 Ų10675.2 Ų75.274%0.74145%0.448SS*.Hα-helixtrans-73.1-29.1-178.9-55.70000112.7Q314 E315 E316 G320Q314-S318 WeakPolarHBondContact O-CB 3.43Å; Q314-S318 PolarHBondContact O-N 3.3Å; Q314-S318 PolarHBondContact O-OG 3.49Å; E315-S318 PolarHBondContact O-N 3.45Å; E316-S318 VanDerWaalsContact C-N 3.3Å; E316-S318 PolarHBondContact O-N 2.91Å; S318-G320 VanDerWaalsContact C-N 3.35Å
319G82.5Confident82Confident63 Ų6376.5 Ų76.565%0.64946%0.456SS*.Hα-helixtrans-81.1-9177.100000114.7E315 E316 D321E315-G319 PolarHBondContact O-N 3.23Å; E316-G319 PolarHBondContact O-N 3.1Å; G319-D321 PolarHBondContact O-N 3.01Å
320G73.9Confident81.8Confident64 Ų6478.4 Ų78.466%0.6647%0.468SS*.THydrogen-bonded Turntrans69.417.3-177.100000114.3E316 I317 S318 E322E316-G320 PolarHBondContact O-N 3.26Å; I317-G320 PolarHBondContact O-N 3.42Å; S318-G320 VanDerWaalsContact C-N 3.35Å; G320-E322 VanDerWaalsContact C-N 3.31Å; G320-E322 PolarHBondContact O-N 3.27Å
321D61.3Low81.6Confident80 Ų8076.4 Ų76.443%0.42846%0.46SS..  trans-8866.6-172.5-163.723.7000110.6E316 G319 K323E316-D321 PolarHBondContact O-N 3.13Å; G319-D321 PolarHBondContact O-N 3.01Å; D321-K323 PolarHBondContact O-N 3.13Å; D321-K323 WeakPolarHBondContact OD2-CE 3.23Å; D321-K323 IonicContact OD2-NZ 2.62Å; D321-K323 PolarHBondContact OD2-NZ 2.87Å
322E59.8Low81.5Confident150 Ų15072.1 Ų72.170%0.70144%0.439SS*.  trans-67.981169.9-72.4-162.1155.800110G320 D324G320-E322 VanDerWaalsContact C-N 3.31Å; G320-E322 PolarHBondContact O-N 3.27Å; E322-D324 VanDerWaalsContact C-N 3.35Å; E322-D324 PolarHBondContact O-N 3.02Å
323K55.7Low81.6Confident96 Ų9670.7 Ų70.742%0.41744%0.436SS..  trans-64.195171.4-63.2-171.5-172.778.40109.2E316 D321 G325E316-K323 IonicContact OE1-NZ 2.66Å; E316-K323 PolarHBondContact OE1-NZ 3.34Å; E316-K323 VanDerWaalsContact OE1-NZ 3.09Å; D321-K323 PolarHBondContact O-N 3.13Å; D321-K323 WeakPolarHBondContact OD2-CE 3.23Å; D321-K323 IonicContact OD2-NZ 2.62Å; D321-K323 PolarHBondContact OD2-NZ 2.87Å; K323-G325 VanDerWaalsContact C-N 3.3Å; K323-G325 PolarHBondContact O-N 3.43Å
324D53.9Low81.7Confident145 Ų14570.7 Ų70.778%0.77544%0.436SS*.  trans-63.988.5176.1-176.88.5000110.8E322 G326E322-D324 VanDerWaalsContact C-N 3.35Å; E322-D324 PolarHBondContact O-N 3.02Å; D324-G326 PolarHBondContact O-N 3.09Å; D324-G326 WeakPolarHBondContact OD1-CA 3.44Å; D324-G326 PolarHBondContact OD1-N 3.15Å
325G60.9Low81.6Confident64 Ų6466.5 Ų66.566%0.6642%0.416SS*.  trans-80.812.3173.800000113.7K323 L327K323-G325 VanDerWaalsContact C-N 3.3Å; K323-G325 PolarHBondContact O-N 3.43Å; G325-L327 VanDerWaalsContact C-N 3.28Å; G325-L327 PolarHBondContact O-N 3.04Å
326G73.7Confident81.5Confident67 Ų6762.5 Ų62.569%0.69140%0.399SS*.SBendtrans69.124.7-172.500000113.6D324D324-G326 PolarHBondContact O-N 3.09Å; D324-G326 WeakPolarHBondContact OD1-CA 3.44Å; D324-G326 PolarHBondContact OD1-N 3.15Å
327L81.4Confident81.4Confident57 Ų5764.3 Ų64.330%0.29841%0.405SS..  trans-92.3144.5174.1-69.2175.6000110.2H281 G325 L329 H331H281-L327 HydrophobicContact CB-CD1 3.88Å; G325-L327 VanDerWaalsContact C-N 3.28Å; G325-L327 PolarHBondContact O-N 3.04Å; L327-L329 VanDerWaalsContact CB-O 3.28Å; L327-L329 WeakPolarHBondContact CB-O 3.27Å; L327-L329 PolarHBondContact O-N 2.88Å; L327-H331 HydrophobicContact CD1-CB 3.95Å
328P85.9Confident81Confident115 Ų11565.9 Ų65.975%0.74742%0.418SS*.SBendtrans-69.6-16.6178.829.6-37.1000113.9
329L90.6Very high80.6Confident66 Ų6666.5 Ų66.535%0.34640%0.404SS..SBendtrans-139.1156.3175.6-66.9171.1000108.6L327 I333 Q335L327-L329 VanDerWaalsContact CB-O 3.28Å; L327-L329 WeakPolarHBondContact CB-O 3.27Å; L327-L329 PolarHBondContact O-N 2.88Å; L329-I333 HydrophobicContact CB-CB 4.23Å; L329-I333 HydrophobicContact CB-CG2 4.26Å; L329-I333 HydrophobicContact CD1-CG2 3.91Å; L329-Q335 HydrophobicContact CD1-CB 4.16Å; L329-Q335 PolarHBondContact O-NE2 2.77Å; L329-Q335 PolarHBondContact O-OE1 2.68Å
330P93.4Very high80.4Confident41 Ų4167.7 Ų67.727%0.26640%0.401SS..  trans-53.3144.5173.9-2634.5000112W332 I333 Q335P330-W332 HydrophobicContact CB-CD2 3.83Å; P330-W332 HydrophobicContact CB-CE3 4.3Å; P330-W332 HydrophobicContact CB-CG 4.39Å; P330-W332 HydrophobicContact CB-CH2 3.95Å; P330-W332 HydrophobicContact CB-CZ2 3.42Å; P330-W332 VanDerWaalsContact CB-CZ2 3.42Å; P330-W332 HydrophobicContact CB-CZ3 4.36Å; P330-W332 HydrophobicContact CG-CZ2 4.02Å; P330-W332 PolarHBondContact O-N 3.35Å; P330-I333 HydrophobicContact CB-CG1 4.31Å; P330-I333 HydrophobicContact CG-CG1 4.5Å; P330-I333 WeakPolarHBondContact O-CB 3.48Å; P330-I333 PolarHBondContact O-N 3.17Å; P330-Q335 PolarHBondContact O-NE2 3.33Å
331H93.9Very high80.3Confident10 Ų1069.9 Ų69.95%0.04640%0.403CS..THydrogen-bonded Turntrans-59.7-25-169.561.488.9000114.5H281 T282 I285 E316 L327 I333H281-H331 HydrophobicContact CB-CB 4.09Å; T282-H331 PolarHBondContact OG1-ND1 2.83Å; T282-H331 PolarHBondContact OG1-O 3.28Å; I285-H331 HydrophobicContact CD1-CB 3.9Å; I285-H331 WeakPolarHBondContact CD1-CD2 3.3Å; I285-H331 VanDerWaalsContact CD1-CG 3.47Å; E316-H331 IonicContact OE2-CE1 3.5Å; E316-H331 PolarHBondContact OE2-CE1 3.38Å; E316-H331 IonicContact OE2-NE2 3.46Å; E316-H331 PolarHBondContact OE2-NE2 2.99Å; L327-H331 HydrophobicContact CD1-CB 3.95Å; H331-I333 VanDerWaalsContact C-N 3.3Å
332W95.1Very high81Confident20 Ų2069.2 Ų69.28%0.07640%0.403CS..THydrogen-bonded Turntrans-80.5-2.1176.259.976.3000114.7P248 V249 W250 C313 E316 I317 P330P248-W332 CarbonylContact C-O 3.31Å; P248-W332 VanDerWaalsContact CA-O 3.27Å; P248-W332 WeakPolarHBondContact CA-O 3.47Å; V249-W332 WeakPolarHBondContact CG1-O 3.42Å; V249-W332 PolarHBondContact N-O 2.9Å; W250-W332 HydrophobicContact CZ3-CB 3.84Å; W250-W332 HydrophobicContact CZ3-CG 4.22Å; C313-W332 HydrophobicContact CB-CB 3.87Å; C313-W332 HydrophobicContact CB-CE3 4.48Å; C313-W332 HydrophobicContact CB-CG 4.28Å; E316-W332 HydrophobicContact CB-CZ3 4.13Å; I317-W332 HydrophobicContact CD1-CD2 4.37Å; I317-W332 HydrophobicContact CD1-CG 4.47Å; I317-W332 HydrophobicContact CD1-CZ2 4.33Å; I317-W332 HydrophobicContact CG1-CD2 4.23Å; I317-W332 HydrophobicContact CG1-CH2 4.14Å; I317-W332 HydrophobicContact CG1-CZ2 3.49Å; I317-W332 VanDerWaalsContact CG1-CZ2 3.49Å; P330-W332 HydrophobicContact CB-CD2 3.83Å; P330-W332 HydrophobicContact CB-CE3 4.3Å; P330-W332 HydrophobicContact CB-CG 4.39Å; P330-W332 HydrophobicContact CB-CH2 3.95Å; P330-W332 HydrophobicContact CB-CZ2 3.42Å; P330-W332 VanDerWaalsContact CB-CZ2 3.42Å; P330-W332 HydrophobicContact CB-CZ3 4.36Å; P330-W332 HydrophobicContact CG-CZ2 4.02Å; P330-W332 PolarHBondContact O-N 3.35Å
333I96.7Very high81.4Confident33 Ų3371.6 Ų71.617%0.16941%0.412CS..BIsolated β-bridgetrans-97.3134.4173.8-60-60000110S246 P248 L329 P330 H331 Q335S246-I333 WeakPolarHBondContact O-CG2 3.38Å; P248-I333 HydrophobicContact CG-CD1 4.37Å; L329-I333 HydrophobicContact CB-CB 4.23Å; L329-I333 HydrophobicContact CB-CG2 4.26Å; L329-I333 HydrophobicContact CD1-CG2 3.91Å; P330-I333 HydrophobicContact CB-CG1 4.31Å; P330-I333 HydrophobicContact CG-CG1 4.5Å; P330-I333 WeakPolarHBondContact O-CB 3.48Å; P330-I333 PolarHBondContact O-N 3.17Å; H331-I333 VanDerWaalsContact C-N 3.3Å; I333-Q335 WeakPolarHBondContact O-CG 3.38Å; I333-Q335 PolarHBondContact O-N 3.31Å; I333-Q335 VanDerWaalsContact O-N 3.13Å; I333-Q335 PolarHBondContact O-NE2 2.57Å
334C96.8Very high81.2Confident0 Ų074.3 Ų74.30%043%0.43CS..  trans-55.8115.6174.9-93.20000110.6H237 N238 S246 P247 V249H237-C334 PolarHBondContact O-SG 3.25Å; H237-C334 VanDerWaalsContact O-SG 3.4Å; N238-C334 HydrophobicContact CB-CB 3.92Å; S246-C334 VanDerWaalsContact CB-O 3.31Å; S246-C334 WeakPolarHBondContact CB-O 3.47Å; S246-C334 PolarHBondContact OG-O 2.98Å; P247-C334 HydrophobicContact CG-CB 4.44Å; P247-C334 VanDerWaalsContact O-CB 3.29Å; P247-C334 WeakPolarHBondContact O-CB 3.46Å; P247-C334 PolarHBondContact O-N 3.2Å; V249-C334 HydrophobicContact CG1-CB 4.46Å
335Q93.5Very high80.7Confident4 Ų470.9 Ų70.92%0.01942%0.421CS..  trans-150.3151.8-176.367.8-174.7-7600110.6H281 L329 P330 I333H281-Q335 VanDerWaalsContact CD2-CG 3.4Å; H281-Q335 WeakPolarHBondContact CD2-CG 3.34Å; L329-Q335 HydrophobicContact CD1-CB 4.16Å; L329-Q335 PolarHBondContact O-NE2 2.77Å; L329-Q335 PolarHBondContact O-OE1 2.68Å; P330-Q335 PolarHBondContact O-NE2 3.33Å; I333-Q335 WeakPolarHBondContact O-CG 3.38Å; I333-Q335 PolarHBondContact O-N 3.31Å; I333-Q335 VanDerWaalsContact O-N 3.13Å; I333-Q335 PolarHBondContact O-NE2 2.57Å
336P91Very high79.5Confident23 Ų2374.3 Ų74.315%0.14943%0.429CS..  trans-61.9152.1-175.7-22.133.3000113.5H212 H213 H281H212-P336 HydrophobicContact CB-CB 3.98Å; H212-P336 HydrophobicContact CB-CG 3.72Å; H213-P336 VanDerWaalsContact CE1-CG 3.49Å; H213-P336 WeakPolarHBondContact CE1-CG 3.33Å; H213-P336 WeakPolarHBondContact NE2-CG 3.33Å; H281-P336 PolarHBondContact NE2-O 3.33Å
337Y88.6Confident77.7Confident65 Ų6575.7 Ų75.726%0.25543%0.425SS..  trans-97.2105.2163.3174.4-112.3000110.6H237 H280 R339H237-Y337 VanDerWaalsContact CE1-CB 3.42Å; H237-Y337 WeakPolarHBondContact CE1-CB 3.42Å; H237-Y337 WeakPolarHBondContact NE2-CB 3.2Å; H280-Y337 AromaticContact CD2-CD2 3.51Å; H280-Y337 AromaticContact NE2-CD2 3.33Å; H280-Y337 VanDerWaalsContact NE2-CD2 3.33Å; H280-Y337 WeakPolarHBondContact NE2-CD2 3.44Å; H280-Y337 AromaticContact NE2-CE2 3.33Å; H280-Y337 VanDerWaalsContact NE2-CE2 3.33Å; H280-Y337 WeakPolarHBondContact NE2-CE2 3.35Å; Y337-R339 HydrophobicContact CE1-CB 4.18Å
338V83.2Confident75.5Confident114 Ų11480.5 Ų80.569%0.69145%0.451SS*.  trans-85115.6168.6-177.10000108.4P340V338-P340 WeakPolarHBondContact O-CD 3.49Å
339R80.9Confident73.3Confident119 Ų11979 Ų7945%0.44946%0.456SS..PPolyproline II helixtrans-64.3123.7176.2-179.8-178.6-59.6-71.3-6.8109.5G183 Y337G183-R339 VanDerWaalsContact O-CD 3.23Å; G183-R339 WeakPolarHBondContact O-CD 3.49Å; G183-R339 PolarHBondContact O-NE 3.41Å; Y337-R339 HydrophobicContact CE1-CB 4.18Å
340P77.8Confident70.5Confident88 Ų8880.1 Ų80.157%0.57147%0.47SS*.PPolyproline II helixtrans-58144174-25.234.8000111.7V338V338-P340 WeakPolarHBondContact O-CD 3.49Å
341P73.1Confident67.5Low110 Ų11085.1 Ų85.171%0.71450%0.504SS*.PPolyproline II helixtrans-61.2157174.626.9-34.4000111K343P341-K343 PolarHBondContact O-N 2.73Å
342P75.1Confident64.4Low66 Ų6692.4 Ų92.443%0.42954%0.538SS..PPolyproline II helixtrans-55131169.8-16.327.4000109.6A184 M185 L344A184-P342 HydrophobicContact CB-CG 4.15Å; M185-P342 HydrophobicContact SD-CG 4.02Å; P342-L344 PolarHBondContact O-N 3.18Å
343K68.9Low61.3Low201 Ų201101.3 Ų101.387%0.87458%0.58SS**  trans-62113.5172.7-67.8-171.6177.7-1720108.5P341 A345P341-K343 PolarHBondContact O-N 2.73Å; K343-A345 PolarHBondContact O-N 3.33Å
344L51.8Low58.1Low152 Ų152104.7 Ų104.780%0.79660%0.602SS**  trans-61.4129.9168-68.7171.1000108.1P342 V346P342-L344 PolarHBondContact O-N 3.18Å; L344-V346 PolarHBondContact O-N 2.81Å; L344-V346 VanDerWaalsContact O-N 3.11Å
345A41.6Very low55.1Low73 Ų73112.9 Ų112.960%0.60364%0.64SS**  trans-74.8101.4175.400000108.5K343 T347K343-A345 PolarHBondContact O-N 3.33Å; A345-T347 PolarHBondContact O-N 3.48Å
346V35.7Very low52.3Low136 Ų136117.4 Ų117.482%0.82467%0.668SS**  trans-72.799.6174-176.30000108.4L344L344-V346 PolarHBondContact O-N 2.81Å; L344-V346 VanDerWaalsContact O-N 3.11Å
347T35.9Very low49.6Very low97 Ų97125.5 Ų125.560%0.59570%0.701SS**  trans-95133.6162.747.60000109.2A345 G349A345-T347 PolarHBondContact O-N 3.48Å; T347-G349 PolarHBondContact O-N 3.29Å
348N36.9Very low46.9Very low158 Ų158125.6 Ų125.685%0.84571%0.711SS**THydrogen-bonded Turntrans-48.3121.6-171.5-63.7-15.6000113.6S350N348-S350 PolarHBondContact O-N 3.19Å
349G39.9Very low44.4Very low84 Ų84125.7 Ų125.787%0.86671%0.712SS**THydrogen-bonded Turntrans71.129.2148.500000118.7T347T347-G349 PolarHBondContact O-N 3.29Å
350S31Very low42Very low89 Ų89128.9 Ų128.962%0.62273%0.734SS**  trans-158.7139155.353.80000112.8N348 Q352N348-S350 PolarHBondContact O-N 3.19Å; S350-Q352 PolarHBondContact O-N 3.34Å
351C31.2Very low40.1Very low145 Ų145127.3 Ų127.398%0.9873%0.725SS**  trans-8697.2173-65.90000109.8
352Q27.1Very low38.1Very low164 Ų164129.3 Ų129.377%0.76672%0.724SS**  trans-128.8146.8159.5-73-171.2-17.100108.9S350 V354S350-Q352 PolarHBondContact O-N 3.34Å; Q352-V354 PolarHBondContact O-N 3.48Å
353E30.9Very low36Very low206 Ų206135.9 Ų135.996%0.96375%0.746SS**  trans-69.891.7176.5-67.9-171.3136.800110.4
354V28.8Very low34.5Very low104 Ų104135.6 Ų135.663%0.6374%0.74SS**  trans-85.2116.9174.2-177.40000109.3Q352 V356Q352-V354 PolarHBondContact O-N 3.48Å; V354-V356 PolarHBondContact O-N 3.35Å
355E34.1Very low33.5Very low173 Ų173131.4 Ų131.481%0.80873%0.727SS**  trans-52112.9170.1-78.3-167.5128.700110.8K357E355-K357 PolarHBondContact O-N 3.4Å
356V34.2Very low33.2Very low98 Ų98133.1 Ų133.159%0.59473%0.726SS**  trans-70.893.3-179.1-177.50000109.8V354 S358V354-V356 PolarHBondContact O-N 3.35Å; V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.93Å
357K34.3Very low33.4Very low193 Ų193130.9 Ų130.984%0.83971%0.706SS**  trans-61.488.6168.8-82.8178.6178.3165.80110.2E355 T359E355-K357 PolarHBondContact O-N 3.4Å; K357-T359 PolarHBondContact O-N 3.19Å; K357-T359 VanDerWaalsContact O-N 3.14Å
358S33.2Very low33.5Very low67 Ų67133.9 Ų133.947%0.46972%0.718SS.*  trans-62.7109.9-178.245.80000112.1V356 M360 C361V356-S358 VanDerWaalsContact C-N 3.27Å; V356-S358 PolarHBondContact O-N 2.93Å; S358-M360 PolarHBondContact O-N 3.14Å; S358-C361 WeakPolarHBondContact O-CA 3.23Å; S358-C361 WeakPolarHBondContact O-CB 3.25Å; S358-C361 PolarHBondContact O-N 2.79Å; S358-C361 WeakPolarHBondContact OG-CB 3.3Å
359T29.2Very low33.5Very low117 Ų117130.7 Ų130.772%0.71871%0.708SS**THydrogen-bonded Turntrans-65.4-20.9-178.3-8.80000113.3K357 C361K357-T359 PolarHBondContact O-N 3.19Å; K357-T359 VanDerWaalsContact O-N 3.14Å; T359-C361 VanDerWaalsContact C-N 3.31Å
360M31.6Very low33.6Very low185 Ų185133.8 Ų133.891%0.91171%0.705SS**THydrogen-bonded Turntrans-74.4-17.6168.6-67.8-163.686.500113.8S358S358-M360 PolarHBondContact O-N 3.14Å
361C37.8Very low34.1Very low55 Ų55139.4 Ų139.437%0.37271%0.713SS.*G310 helixtrans-78.9-18.2-178.8-163.90000112.9S358 T359 K363 R364 A365S358-C361 WeakPolarHBondContact O-CA 3.23Å; S358-C361 WeakPolarHBondContact O-CB 3.25Å; S358-C361 PolarHBondContact O-N 2.79Å; S358-C361 WeakPolarHBondContact OG-CB 3.3Å; T359-C361 VanDerWaalsContact C-N 3.31Å; C361-K363 PolarHBondContact O-N 2.85Å; C361-R364 CarbonylContact O-C 3.57Å; C361-R364 PolarHBondContact O-N 3.02Å; C361-A365 WeakPolarHBondContact O-CB 3.39Å; C361-A365 PolarHBondContact O-N 2.67Å
362Q30.4Very low34.5Very low152 Ų152138 Ų13871%0.7171%0.711SS**G310 helixtrans-60.1-20-179.7-68.5-172.4-500114.4
363K31Very low35.1Very low204 Ų204134.4 Ų134.489%0.88771%0.709SS**G310 helixtrans-78.3-12.3170.7-97.2179.4178.8171.10114.7C361C361-K363 PolarHBondContact O-N 2.85Å
364R37Very low36.1Very low196 Ų196129.5 Ų129.574%0.7469%0.687SS**THydrogen-bonded Turntrans-124-24.2-179.3-68.4-175.7-179.9173.90.9114.5C361 L366 E367C361-R364 CarbonylContact O-C 3.57Å; C361-R364 PolarHBondContact O-N 3.02Å; R364-L366 PolarHBondContact O-N 2.72Å; R364-E367 WeakPolarHBondContact O-CB 3.32Å; R364-E367 WeakPolarHBondContact O-CG 3.46Å; R364-E367 PolarHBondContact O-N 3.25Å; R364-E367 VanDerWaalsContact O-N 3.16Å
365A32.6Very low37.5Very low63 Ų63128.9 Ų128.952%0.52170%0.701SS.*THydrogen-bonded Turntrans-66.6-5.2-177.200000115.7C361 E367C361-A365 WeakPolarHBondContact O-CB 3.39Å; C361-A365 PolarHBondContact O-N 2.67Å; A365-E367 PolarHBondContact O-N 3Å
366L33.9Very low38.8Very low110 Ų110122.6 Ų122.658%0.57667%0.673SS**THydrogen-bonded Turntrans-86.518.6170.1-89.2163.2000113R364R364-L366 PolarHBondContact O-N 2.72Å
367E39.6Very low40.4Very low89 Ų89121.2 Ų121.242%0.41667%0.668SS.*SBendtrans-106.5-19.9177.1-61.5-164.3153.900114.3R115 R364 A365 K382R115-E367 IonicContact NH2-OE2 3.28Å; R364-E367 WeakPolarHBondContact O-CB 3.32Å; R364-E367 WeakPolarHBondContact O-CG 3.46Å; R364-E367 PolarHBondContact O-N 3.25Å; R364-E367 VanDerWaalsContact O-N 3.16Å; A365-E367 PolarHBondContact O-N 3Å; E367-K382 IonicContact OE1-NZ 2.87Å; E367-K382 PolarHBondContact OE1-NZ 3.49Å
368D39.6Very low41.8Very low159 Ų159119 Ų11985%0.8566%0.658SS**  trans-111.359-174.5-73-35000112.7
369S35.4Very low43.3Very low91 Ų91121.3 Ų121.364%0.63667%0.665SS**  trans-132.6108156.364.30000111.4R371S369-R371 VanDerWaalsContact C-N 3.35Å; S369-R371 PolarHBondContact O-N 2.74Å
370D43.8Very low45.3Very low149 Ų149119.8 Ų119.880%0.79765%0.649SS**  trans-73.392.8166.5-77.9-41.6000109
371R39.8Very low47.1Very low208 Ų208113.9 Ų113.979%0.78562%0.62SS**  trans-115.683.1160.1-75.2-165.6174.2-158.5-1109.4S369 A373S369-R371 VanDerWaalsContact C-N 3.35Å; S369-R371 PolarHBondContact O-N 2.74Å; R371-A373 PolarHBondContact O-N 2.7Å
372A39.3Very low48.5Very low114 Ų114114.1 Ų114.194%0.94262%0.615SS**THydrogen-bonded Turntrans-7343.3169.300000112.4
373A41.7Very low50.5Low89 Ų89113.3 Ų113.374%0.73661%0.609SS**THydrogen-bonded Turntrans-118.3-3.4-172.700000114R371R371-A373 PolarHBondContact O-N 2.7Å
374E50.9Low52.6Low104 Ų104107.2 Ų107.249%0.48658%0.581SS.*SBendtrans-134.8129.1171.4-69.4-173.8-12500109.4L376 R384E374-L376 PolarHBondContact O-N 3.33Å; E374-R384 IonicContact OE1-CZ 3.17Å; E374-R384 IonicContact OE1-NH2 3.67Å; E374-R384 PolarHBondContact OE1-NH2 2.96Å; E374-R384 IonicContact OE2-CZ 3.69Å; E374-R384 IonicContact OE2-NH1 3.45Å; E374-R384 PolarHBondContact OE2-NH1 3.4Å; E374-R384 IonicContact OE2-NH2 3.65Å; E374-R384 PolarHBondContact OE2-NH2 3.25Å
375G57.2Low54.1Low91 Ų91100.8 Ų100.894%0.93857%0.566SS**SBendtrans-69.338.9-174.400000116.3
376L62.7Low56.1Low40 Ų40107.9 Ų107.921%0.20958%0.579CS.*  trans-113.9127.1-178.5-62.9177.8000110.2E374 K380 L381 F392E374-L376 PolarHBondContact O-N 3.33Å; L376-K380 HydrophobicContact CB-CB 4.12Å; L376-K380 HydrophobicContact CB-CD 4.41Å; L376-K380 HydrophobicContact CD2-CD 3.77Å; L376-L381 HydrophobicContact CB-CD2 4.18Å; L376-L381 HydrophobicContact CB-CG 4.24Å; L376-L381 WeakPolarHBondContact O-CD1 3.4Å; L376-F392 HydrophobicContact CD1-CD2 4.49Å; L376-F392 HydrophobicContact CD2-CB 4.02Å
377S68.3Low58Low70 Ų70106 Ų10649%0.4957%0.57SS.*  trans-58.4153.1177.766.40000112.8N379 K380 L381S377-N379 PolarHBondContact O-N 3.01Å; S377-K380 WeakPolarHBondContact O-CA 3.45Å; S377-K380 WeakPolarHBondContact O-CB 3.36Å; S377-K380 PolarHBondContact O-N 3.45Å; S377-L381 PolarHBondContact O-N 3.05Å; S377-L381 VanDerWaalsContact O-N 3.12Å
378K63.4Low59.7Low146 Ų146106.9 Ų106.964%0.63558%0.583SS**Hα-helixtrans-49.4-31.7-179-61.3-168.5175.9-165.50113.3K382K378-K382 WeakPolarHBondContact O-CG 3.45Å; K378-K382 PolarHBondContact O-N 3.2Å; K378-K382 VanDerWaalsContact O-N 3.09Å
379N63.2Low61.2Low115 Ų115106.7 Ų106.762%0.61558%0.582SS**Hα-helixtrans-75.3-28175.1-77.1-23.3000115.2S377 K383S377-N379 PolarHBondContact O-N 3.01Å; N379-K383 WeakPolarHBondContact O-CG 3.41Å; N379-K383 PolarHBondContact O-N 3.14Å
380K73.3Confident62.9Low85 Ų85107.4 Ų107.437%0.3757%0.574SS.*Hα-helixtrans-74.5-43.9171.1-67.7-177.2-174176.40110.1L376 S377 K382 K383 R384 F392L376-K380 HydrophobicContact CB-CB 4.12Å; L376-K380 HydrophobicContact CB-CD 4.41Å; L376-K380 HydrophobicContact CD2-CD 3.77Å; S377-K380 WeakPolarHBondContact O-CA 3.45Å; S377-K380 WeakPolarHBondContact O-CB 3.36Å; S377-K380 PolarHBondContact O-N 3.45Å; K380-K382 PolarHBondContact O-N 3.43Å; K380-K383 CarbonylContact O-C 3.56Å; K380-K383 WeakPolarHBondContact O-CA 3.24Å; K380-K383 WeakPolarHBondContact O-CB 3.45Å; K380-K383 PolarHBondContact O-N 2.98Å; K380-R384 PolarHBondContact O-N 3.08Å; K380-F392 HydrophobicContact CB-CD1 3.86Å; K380-F392 HydrophobicContact CB-CE1 3.89Å; K380-F392 HydrophobicContact CB-CG 4.25Å; K380-F392 HydrophobicContact CB-CZ 4.32Å; K380-F392 HydrophobicContact CD-CB 4.34Å; K380-F392 HydrophobicContact CD-CD1 3.92Å; K380-F392 HydrophobicContact CD-CG 4.28Å; K380-F392 HydrophobicContact CG-CD1 3.73Å; K380-F392 HydrophobicContact CG-CE1 4Å; K380-F392 HydrophobicContact CG-CG 4.41Å; K380-F392 VanDerWaalsContact O-CZ 3.28Å; K380-F392 WeakPolarHBondContact O-CZ 3.44Å
381L69.4Low64.1Low61 Ų61105 Ų10532%0.31956%0.561SS.*Hα-helixtrans-56.1-48.3174.8-66.6170.6000111.8L376 S377 K383 R384 S385L376-L381 HydrophobicContact CB-CD2 4.18Å; L376-L381 HydrophobicContact CB-CG 4.24Å; L376-L381 WeakPolarHBondContact O-CD1 3.4Å; S377-L381 PolarHBondContact O-N 3.05Å; S377-L381 VanDerWaalsContact O-N 3.12Å; L381-K383 PolarHBondContact O-N 3.42Å; L381-R384 PolarHBondContact O-N 3Å; L381-S385 PolarHBondContact O-N 2.97Å; L381-S385 PolarHBondContact O-OG 3.22Å
382K67.2Low65.6Low61 Ų6196.8 Ų96.827%0.26553%0.531SS..Hα-helixtrans-60.5-24.8172.9-77.6-177.5-177.21770115E367 K378 K380 S385 R386E367-K382 IonicContact OE1-NZ 2.87Å; E367-K382 PolarHBondContact OE1-NZ 3.49Å; K378-K382 WeakPolarHBondContact O-CG 3.45Å; K378-K382 PolarHBondContact O-N 3.2Å; K378-K382 VanDerWaalsContact O-N 3.09Å; K380-K382 PolarHBondContact O-N 3.43Å; K382-S385 PolarHBondContact O-OG 3.43Å; K382-R386 WeakPolarHBondContact O-CD 3.26Å; K382-R386 VanDerWaalsContact O-CG 3.31Å; K382-R386 WeakPolarHBondContact O-CG 3.47Å
383K71.6Confident67Low135 Ų13593.5 Ų93.559%0.58750%0.5SS*.Hα-helixtrans-85.1-26.9175.2-76.6176.7179.3178.70112N379 K380 L381 N387 F392N379-K383 WeakPolarHBondContact O-CG 3.41Å; N379-K383 PolarHBondContact O-N 3.14Å; K380-K383 CarbonylContact O-C 3.56Å; K380-K383 WeakPolarHBondContact O-CA 3.24Å; K380-K383 WeakPolarHBondContact O-CB 3.45Å; K380-K383 PolarHBondContact O-N 2.98Å; L381-K383 PolarHBondContact O-N 3.42Å; K383-N387 PolarHBondContact O-N 3.19Å; K383-F392 HydrophobicContact CB-CE1 4.08Å; K383-F392 HydrophobicContact CB-CZ 3.59Å
384R74.6Confident67.9Low76 Ų7693.6 Ų93.629%0.28749%0.494SS..Hα-helixtrans-76.2-40.4172-151.5169.765.8-171.4-0.5112.1E374 K380 L381 R386 N387 P388 F392E374-R384 IonicContact OE1-CZ 3.17Å; E374-R384 IonicContact OE1-NH2 3.67Å; E374-R384 PolarHBondContact OE1-NH2 2.96Å; E374-R384 IonicContact OE2-CZ 3.69Å; E374-R384 IonicContact OE2-NH1 3.45Å; E374-R384 PolarHBondContact OE2-NH1 3.4Å; E374-R384 IonicContact OE2-NH2 3.65Å; E374-R384 PolarHBondContact OE2-NH2 3.25Å; K380-R384 PolarHBondContact O-N 3.08Å; L381-R384 PolarHBondContact O-N 3Å; R384-R386 PolarHBondContact O-N 3.16Å; R384-N387 CarbonylContact O-C 3.55Å; R384-N387 PolarHBondContact O-N 3.47Å; R384-N387 VanDerWaalsContact O-N 3.09Å; R384-P388 WeakPolarHBondContact O-CA 3.42Å; R384-F392 HydrophobicContact CB-CE2 3.7Å; R384-F392 HydrophobicContact CB-CZ 4.45Å; R384-F392 HydrophobicContact CG-CE2 4.02Å
385S69.2Low68.4Low61 Ų6196.4 Ų96.443%0.42751%0.507SS..Hα-helixtrans-64.5-27.2176.261.60000113.4L381 K382L381-S385 PolarHBondContact O-N 2.97Å; L381-S385 PolarHBondContact O-OG 3.22Å; K382-S385 PolarHBondContact O-OG 3.43Å
386R74.9Confident68.7Low211 Ų21197.6 Ų97.680%0.79649%0.491SS*.THydrogen-bonded Turntrans-85-12.8174.2-67.4176-176.2-174.51.2114.4K382 R384K382-R386 WeakPolarHBondContact O-CD 3.26Å; K382-R386 VanDerWaalsContact O-CG 3.31Å; K382-R386 WeakPolarHBondContact O-CG 3.47Å; R384-R386 PolarHBondContact O-N 3.16Å
387N73.3Confident68.6Low72 Ų72102 Ų10239%0.38551%0.508SS..  trans-158.195.3176.9-179.9-25.9000107.5K383 R384 N389 K390K383-N387 PolarHBondContact O-N 3.19Å; R384-N387 CarbonylContact O-C 3.55Å; R384-N387 PolarHBondContact O-N 3.47Å; R384-N387 VanDerWaalsContact O-N 3.09Å; N387-N389 PolarHBondContact O-N 3.19Å; N387-N389 VanDerWaalsContact O-N 3.14Å; N387-N389 PolarHBondContact OD1-N 3.05Å; N387-K390 HydrophobicContact CB-CB 4.12Å; N387-K390 WeakPolarHBondContact O-CB 3.34Å; N387-K390 PolarHBondContact O-N 3.31Å; N387-K390 PolarHBondContact OD1-N 2.78Å
388P74.8Confident68.1Low107 Ų107103.9 Ų103.970%0.69552%0.519SS*.THydrogen-bonded Turntrans-55.8-33.4-174.6-29.136.5000113.5R384 K390R384-P388 WeakPolarHBondContact O-CA 3.42Å; P388-K390 PolarHBondContact O-N 2.94Å
389N71.6Confident68Low155 Ų155106.7 Ų106.783%0.82953%0.531SS*.THydrogen-bonded Turntrans-806.9-179.9-60.7-12.8000113.1N387 N391N387-N389 PolarHBondContact O-N 3.19Å; N387-N389 VanDerWaalsContact O-N 3.14Å; N387-N389 PolarHBondContact OD1-N 3.05Å; N389-N391 PolarHBondContact O-N 3.28Å; N389-N391 VanDerWaalsContact O-N 3.1Å
390K70.7Confident68.3Low106 Ų106108 Ų10846%0.46153%0.528SS..  trans-76.797.3179.1-159.576.5179.6178.30110.6N387 P388 F392N387-K390 HydrophobicContact CB-CB 4.12Å; N387-K390 WeakPolarHBondContact O-CB 3.34Å; N387-K390 PolarHBondContact O-N 3.31Å; N387-K390 PolarHBondContact OD1-N 2.78Å; P388-K390 PolarHBondContact O-N 2.94Å; K390-F392 HydrophobicContact CB-CE2 4Å; K390-F392 HydrophobicContact CB-CZ 4.16Å; K390-F392 HydrophobicContact CG-CE1 4.36Å; K390-F392 HydrophobicContact CG-CE2 3.95Å; K390-F392 HydrophobicContact CG-CZ 3.66Å; K390-F392 WeakPolarHBondContact O-CD2 3.47Å; K390-F392 WeakPolarHBondContact O-CE2 3.31Å
391N69Low68.4Low97 Ų97109.9 Ų109.952%0.51954%0.542SS..  trans-73.2139174-159.3-30.2000111.5N389 C393 L396N389-N391 PolarHBondContact O-N 3.28Å; N389-N391 VanDerWaalsContact O-N 3.1Å; N391-C393 VanDerWaalsContact OD1-CB 3.28Å; N391-C393 WeakPolarHBondContact OD1-CB 3.47Å; N391-C393 PolarHBondContact OD1-N 3.05Å; N391-L396 WeakPolarHBondContact ND2-CD1 3.45Å
392F71.6Confident69.1Low36 Ų36113.7 Ų113.716%0.15856%0.556CS.*  trans-115.7-2.2178.1-65.8-84.8000113.8L376 K380 K383 R384 K390L376-F392 HydrophobicContact CD1-CD2 4.49Å; L376-F392 HydrophobicContact CD2-CB 4.02Å; K380-F392 HydrophobicContact CB-CD1 3.86Å; K380-F392 HydrophobicContact CB-CE1 3.89Å; K380-F392 HydrophobicContact CB-CG 4.25Å; K380-F392 HydrophobicContact CB-CZ 4.32Å; K380-F392 HydrophobicContact CD-CB 4.34Å; K380-F392 HydrophobicContact CD-CD1 3.92Å; K380-F392 HydrophobicContact CD-CG 4.28Å; K380-F392 HydrophobicContact CG-CD1 3.73Å; K380-F392 HydrophobicContact CG-CE1 4Å; K380-F392 HydrophobicContact CG-CG 4.41Å; K380-F392 VanDerWaalsContact O-CZ 3.28Å; K380-F392 WeakPolarHBondContact O-CZ 3.44Å; K383-F392 HydrophobicContact CB-CE1 4.08Å; K383-F392 HydrophobicContact CB-CZ 3.59Å; R384-F392 HydrophobicContact CB-CE2 3.7Å; R384-F392 HydrophobicContact CB-CZ 4.45Å; R384-F392 HydrophobicContact CG-CE2 4.02Å; K390-F392 HydrophobicContact CB-CE2 4Å; K390-F392 HydrophobicContact CB-CZ 4.16Å; K390-F392 HydrophobicContact CG-CE1 4.36Å; K390-F392 HydrophobicContact CG-CE2 3.95Å; K390-F392 HydrophobicContact CG-CZ 3.66Å; K390-F392 WeakPolarHBondContact O-CD2 3.47Å; K390-F392 WeakPolarHBondContact O-CE2 3.31Å
393C68.9Low69.8Low45 Ų45110.9 Ų110.930%0.30454%0.544SS..  trans-61.3128.4176-163.60000109.8N391 E395 L396N391-C393 VanDerWaalsContact OD1-CB 3.28Å; N391-C393 WeakPolarHBondContact OD1-CB 3.47Å; N391-C393 PolarHBondContact OD1-N 3.05Å; C393-E395 VanDerWaalsContact C-N 3.28Å; C393-E395 PolarHBondContact O-N 3.25Å; C393-L396 HydrophobicContact CB-CB 4.34Å; C393-L396 HydrophobicContact CB-CD1 4.19Å; C393-L396 HydrophobicContact CB-CG 4.46Å; C393-L396 PolarHBondContact O-N 3.37Å
394P60.4Low70.2Confident91 Ų91112.8 Ų112.859%0.59156%0.555SS**G310 helixtrans-58.1-38.5-177.1-25.735.5000113.7L396P394-L396 VanDerWaalsContact C-N 3.34Å; P394-L396 PolarHBondContact O-N 3.09Å
395E61.7Low70.5Confident163 Ų163114.9 Ų114.976%0.76257%0.568SS**G310 helixtrans-66.8-30.6-178.4-66.6127.5-133.100113.6C393C393-E395 VanDerWaalsContact C-N 3.28Å; C393-E395 PolarHBondContact O-N 3.25Å
396L63Low71.3Confident116 Ų116114.7 Ų114.761%0.60757%0.566SS**G310 helixtrans-96.212.2-175.3-64.5170000113.1N391 C393 P394N391-L396 WeakPolarHBondContact ND2-CD1 3.45Å; C393-L396 HydrophobicContact CB-CB 4.34Å; C393-L396 HydrophobicContact CB-CD1 4.19Å; C393-L396 HydrophobicContact CB-CG 4.46Å; C393-L396 PolarHBondContact O-N 3.37Å; P394-L396 VanDerWaalsContact C-N 3.34Å; P394-L396 PolarHBondContact O-N 3.09Å
397K59.7Low71.5Confident133 Ų133106.6 Ų106.658%0.57855%0.548SS*.SBendtrans-70132.7172.2-73.6176.5-178.1168.20110.1K399K397-K399 PolarHBondContact O-N 3.17Å; K397-K399 VanDerWaalsContact O-N 3.12Å
398P58.2Low72Confident109 Ų109107.4 Ų107.471%0.70855%0.552SS**  trans-60.5120.5176.124.2-32.9000110.1Y400P398-Y400 WeakPolarHBondContact O-CD1 3.45Å; P398-Y400 PolarHBondContact O-N 2.93Å
399K62.9Low72.5Confident205 Ų205105.5 Ų105.589%0.89154%0.54SS*.  trans-69.595.9176.2-67.4-180-178.4176.10108.8K397K397-K399 PolarHBondContact O-N 3.17Å; K397-K399 VanDerWaalsContact O-N 3.12Å
400Y67.6Low73.2Confident142 Ų142100.6 Ų100.656%0.55751%0.511SS*.PPolyproline II helixtrans-73.2135.6172.841.5-92.5000110.2P398 P409P398-Y400 WeakPolarHBondContact O-CD1 3.45Å; P398-Y400 PolarHBondContact O-N 2.93Å; Y400-P409 HydrophobicContact CD1-CG 4.45Å; Y400-P409 HydrophobicContact CD2-CB 3.84Å; Y400-P409 HydrophobicContact CD2-CG 3.68Å; Y400-P409 HydrophobicContact CE2-CB 4.47Å; Y400-P409 HydrophobicContact CE2-CG 3.81Å; Y400-P409 HydrophobicContact CG-CB 3.97Å; Y400-P409 HydrophobicContact CG-CG 4.02Å
401L76Confident73.6Confident125 Ų12596.1 Ų96.165%0.65450%0.496SS*.PPolyproline II helixtrans-59.8138.8165.5-65.7174.3000108.7K410L401-K410 HydrophobicContact CB-CB 4.26Å; L401-K410 HydrophobicContact CB-CD 4.08Å; L401-K410 WeakPolarHBondContact O-CB 3.25Å; L401-K410 PolarHBondContact O-N 3.28Å
402K83.6Confident74.1Confident142 Ų14299 Ų9962%0.61751%0.511SS*.BIsolated β-bridgetrans-87.6147.2-179.3-64.5-176.7-178.2175.70110.2E404 G407K402-E404 PolarHBondContact O-N 2.96Å; K402-G407 WeakPolarHBondContact CG-O 3.43Å
403C82.9Confident74.6Confident1 Ų1105.7 Ų105.71%0.00754%0.54CS..  trans-72.9115.7168.6175.40000108.7Q405 C406 G407 N408 L418 C419C403-Q405 PolarHBondContact O-N 3.45Å; C403-C406 PolarHBondContact O-N 2.99Å; C403-G407 PolarHBondContact O-N 3.32Å; C403-N408 WeakPolarHBondContact CB-O 3.45Å; C403-N408 PolarHBondContact N-O 3.39Å; C403-L418 VanDerWaalsContact SG-CD2 3.52Å; C403-C419 HydrophobicContact CB-CB 3.79Å; C403-C419 PolarHBondContact SG-N 3.13Å
404E79.9Confident75.4Confident176 Ų176104 Ų10482%0.82253%0.528SS*.THydrogen-bonded Turntrans-52.4-32.9-176.7-69.8157.1-157.300113.2K402K402-E404 PolarHBondContact O-N 2.96Å
405Q81.5Confident76.7Confident119 Ų119103.7 Ų103.756%0.55653%0.525SS*.THydrogen-bonded Turntrans-76.5-17.1-179.6-66.6-175.8-11.200116C403 L418 C422C403-Q405 PolarHBondContact O-N 3.45Å; Q405-L418 HydrophobicContact CB-CD2 4.29Å; Q405-L418 HydrophobicContact CG-CD2 3.75Å; Q405-C422 HydrophobicContact CB-CB 4.49Å; Q405-C422 VanDerWaalsContact OE1-CB 3.28Å; Q405-C422 PolarHBondContact OE1-SG 3.13Å
406C84.3Confident77.9Confident58 Ų5897.7 Ų97.739%0.39250%0.496SS..THydrogen-bonded Turntrans-160.19.1-172.667.80000116.6C403 N408C403-C406 PolarHBondContact O-N 2.99Å; C406-N408 PolarHBondContact O-N 3.49Å; C406-N408 PolarHBondContact SG-ND2 2.94Å; C406-N408 VanDerWaalsContact SG-ND2 3.39Å
407G79.8Confident79.1Confident40 Ų4094.6 Ų94.641%0.41248%0.484SS..SBendtrans71.8-14.7177.600000116.6K402 C403K402-G407 WeakPolarHBondContact CG-O 3.43Å; C403-G407 PolarHBondContact O-N 3.32Å
408N84.8Confident80.5Confident90 Ų9088.6 Ų88.648%0.48146%0.458SS..SBendtrans-64.5157.7177.8-76.7-62.8000112.7C403 C406 K410 C419C403-N408 WeakPolarHBondContact CB-O 3.45Å; C403-N408 PolarHBondContact N-O 3.39Å; C406-N408 PolarHBondContact O-N 3.49Å; C406-N408 PolarHBondContact SG-ND2 2.94Å; C406-N408 VanDerWaalsContact SG-ND2 3.39Å; N408-K410 PolarHBondContact O-N 2.96Å; N408-C419 HydrophobicContact CB-CB 4.04Å
409P84.5Confident82Confident66 Ų6683.8 Ų83.843%0.42943%0.427SS..BIsolated β-bridgetrans-54.1128.4177-24.232.4000113.3Y400 C419Y400-P409 HydrophobicContact CD1-CG 4.45Å; Y400-P409 HydrophobicContact CD2-CB 3.84Å; Y400-P409 HydrophobicContact CD2-CG 3.68Å; Y400-P409 HydrophobicContact CE2-CB 4.47Å; Y400-P409 HydrophobicContact CE2-CG 3.81Å; Y400-P409 HydrophobicContact CG-CB 3.97Å; Y400-P409 HydrophobicContact CG-CG 4.02Å; P409-C419 WeakPolarHBondContact O-CB 3.33Å
410K85.4Confident83.3Confident52 Ų5281.9 Ų81.923%0.22641%0.414CS..PPolyproline II helixtrans-68.5142.4173.6173.5170.2174.7167.50110.6L401 N408 N412 S417L401-K410 HydrophobicContact CB-CB 4.26Å; L401-K410 HydrophobicContact CB-CD 4.08Å; L401-K410 WeakPolarHBondContact O-CB 3.25Å; L401-K410 PolarHBondContact O-N 3.28Å; N408-K410 PolarHBondContact O-N 2.96Å; K410-N412 PolarHBondContact O-N 3.42Å; K410-S417 VanDerWaalsContact CD-O 3.25Å; K410-S417 WeakPolarHBondContact CD-O 3.26Å; K410-S417 WeakPolarHBondContact CE-O 3.42Å; K410-S417 WeakPolarHBondContact CE-OG 3.33Å; K410-S417 WeakPolarHBondContact CG-O 3.46Å; K410-S417 PolarHBondContact NZ-OG 2.72Å
411G80.9Confident84.3Confident13 Ų1378.2 Ų78.213%0.13441%0.414CS..PPolyproline II helixtrans-75.2119.917100000110.8K413 C414 L418G411-K413 PolarHBondContact O-N 3.28Å; G411-C414 VanDerWaalsContact O-CB 3.3Å; G411-C414 WeakPolarHBondContact O-CB 3.3Å; G411-C414 PolarHBondContact O-N 2.91Å; G411-L418 PolarHBondContact N-O 3.34Å
412N77.9Confident84.9Confident156 Ų15673.1 Ų73.183%0.83439%0.388SS*.THydrogen-bonded Turntrans-55.4-24.8-171.8-72.82.5000115.5K410K410-N412 PolarHBondContact O-N 3.42Å
413K82.9Confident85.3Confident177 Ų17766.4 Ų66.477%0.7736%0.359SS*.THydrogen-bonded Turntrans-125.623.5176-63.2-173.2177.9-173.80112.4G411 V415 S436G411-K413 PolarHBondContact O-N 3.28Å; K413-V415 PolarHBondContact O-N 3.33Å; K413-S436 WeakPolarHBondContact O-CB 3.46Å
414C85.9Confident85.6Confident10 Ų1072.3 Ų72.37%0.06839%0.385CS..  trans-68.8124.2177.9177.80000110.3G411 F416 S417 C423 H437G411-C414 VanDerWaalsContact O-CB 3.3Å; G411-C414 WeakPolarHBondContact O-CB 3.3Å; G411-C414 PolarHBondContact O-N 2.91Å; C414-F416 PolarHBondContact O-N 3.01Å; C414-F416 VanDerWaalsContact O-N 3.15Å; C414-S417 PolarHBondContact O-N 2.96Å; C414-C423 PolarHBondContact SG-SG 3.31Å; C414-H437 VanDerWaalsContact SG-CE1 3.53Å
415V87Confident86.1Confident85 Ų8571.9 Ų71.952%0.51538%0.38SS..THydrogen-bonded Turntrans-57.9-30.3179.8-56.30000112.7K413 D433 C434K413-V415 PolarHBondContact O-N 3.33Å; V415-D433 WeakPolarHBondContact CG2-O 3.48Å; V415-C434 HydrophobicContact CG2-CB 3.91Å
416F87.4Confident86.5Confident36 Ų3669.7 Ų69.716%0.15837%0.369CS..THydrogen-bonded Turntrans-91.4-0.9176.9-61.7-60.9000114.3C414 L418 K426 A427 E430 A432C414-F416 PolarHBondContact O-N 3.01Å; C414-F416 VanDerWaalsContact O-N 3.15Å; F416-L418 HydrophobicContact CB-CB 4.44Å; F416-L418 HydrophobicContact CB-CD1 3.89Å; F416-L418 HydrophobicContact CB-CG 4.05Å; F416-L418 WeakPolarHBondContact O-CG 3.38Å; F416-L418 PolarHBondContact O-N 3.11Å; F416-K426 HydrophobicContact CB-CD 4.15Å; F416-K426 HydrophobicContact CD1-CD 3.69Å; F416-K426 HydrophobicContact CD1-CG 4.08Å; F416-K426 HydrophobicContact CE1-CD 4.34Å; F416-K426 HydrophobicContact CE1-CG 4.33Å; F416-K426 HydrophobicContact CG-CD 3.94Å; F416-K426 HydrophobicContact CG-CG 4.25Å; F416-A427 HydrophobicContact CD2-CB 4.31Å; F416-A427 HydrophobicContact CE2-CB 3.65Å; F416-E430 WeakPolarHBondContact CE1-OE2 3.29Å; F416-A432 HydrophobicContact CE2-CB 4.33Å; F416-A432 HydrophobicContact CZ-CB 3.66Å
417S88.6Confident86.7Confident51 Ų5166.9 Ų66.936%0.35735%0.35SS..SBendtrans59.523.2-173.1-85.30000115.5K410 C414K410-S417 VanDerWaalsContact CD-O 3.25Å; K410-S417 WeakPolarHBondContact CD-O 3.26Å; K410-S417 WeakPolarHBondContact CE-O 3.42Å; K410-S417 WeakPolarHBondContact CE-OG 3.33Å; K410-S417 WeakPolarHBondContact CG-O 3.46Å; K410-S417 PolarHBondContact NZ-OG 2.72Å; C414-S417 PolarHBondContact O-N 2.96Å
418L88.8Confident87.2Confident7 Ų771.8 Ų71.84%0.03736%0.36CS..SBendtrans-105.5172.1-176.6-64171.7000113.1C403 Q405 G411 F416 C422 C423 K426 H437C403-L418 VanDerWaalsContact SG-CD2 3.52Å; Q405-L418 HydrophobicContact CB-CD2 4.29Å; Q405-L418 HydrophobicContact CG-CD2 3.75Å; G411-L418 PolarHBondContact N-O 3.34Å; F416-L418 HydrophobicContact CB-CB 4.44Å; F416-L418 HydrophobicContact CB-CD1 3.89Å; F416-L418 HydrophobicContact CB-CG 4.05Å; F416-L418 WeakPolarHBondContact O-CG 3.38Å; F416-L418 PolarHBondContact O-N 3.11Å; L418-C422 HydrophobicContact CB-CB 3.94Å; L418-C422 HydrophobicContact CD1-CB 4.05Å; L418-C422 HydrophobicContact CD2-CB 4.33Å; L418-C422 HydrophobicContact CG-CB 4.32Å; L418-C423 HydrophobicContact CB-CB 4.15Å; L418-K426 HydrophobicContact CD1-CB 4.04Å; L418-K426 HydrophobicContact CD1-CD 3.86Å; L418-H437 PolarHBondContact O-CE1 3.32Å
419C90.1Very high87.5Confident8 Ų876.1 Ų76.15%0.05438%0.375CS..  trans-72.7164.9163.578.80000110.7C403 N408 P409 A421 C422 C423C403-C419 HydrophobicContact CB-CB 3.79Å; C403-C419 PolarHBondContact SG-N 3.13Å; N408-C419 HydrophobicContact CB-CB 4.04Å; P409-C419 WeakPolarHBondContact O-CB 3.33Å; C419-A421 VanDerWaalsContact C-N 3.31Å; C419-A421 PolarHBondContact O-N 3.3Å; C419-C422 PolarHBondContact O-N 2.85Å; C419-C423 WeakPolarHBondContact O-CB 3.33Å; C419-C423 PolarHBondContact O-N 3.15Å
420R89.9Confident87.8Confident165 Ų16577.8 Ų77.862%0.62338%0.377SS*.Hα-helixtrans-55.2-40.1-176.4-171172.5-170.3175.13.5114.3K424 H437R420-K424 WeakPolarHBondContact O-CB 3.26Å; R420-K424 PolarHBondContact O-N 2.85Å; R420-H437 HydrophobicContact CG-CB 4.2Å; R420-H437 PolarHBondContact NH2-O 3.4Å
421A88.2Confident87.9Confident66 Ų6678.9 Ų78.955%0.54539%0.388SS..Hα-helixtrans-70.4-49.9-177.600000112.3C419 K424 K425C419-A421 VanDerWaalsContact C-N 3.31Å; C419-A421 PolarHBondContact O-N 3.3Å; A421-K424 PolarHBondContact O-N 3.2Å; A421-K425 PolarHBondContact O-N 2.88Å
422C89.1Confident88.4Confident18 Ų1879.2 Ų79.212%0.12239%0.389CS..Hα-helixtrans-62.8-43174.8-74.30000111.7Q405 L418 C419 K424 K425 K426Q405-C422 HydrophobicContact CB-CB 4.49Å; Q405-C422 VanDerWaalsContact OE1-CB 3.28Å; Q405-C422 PolarHBondContact OE1-SG 3.13Å; L418-C422 HydrophobicContact CB-CB 3.94Å; L418-C422 HydrophobicContact CD1-CB 4.05Å; L418-C422 HydrophobicContact CD2-CB 4.33Å; L418-C422 HydrophobicContact CG-CB 4.32Å; C419-C422 PolarHBondContact O-N 2.85Å; C422-K424 VanDerWaalsContact C-N 3.32Å; C422-K424 PolarHBondContact O-N 2.97Å; C422-K425 PolarHBondContact O-N 3.06Å; C422-K426 PolarHBondContact O-N 3.42Å
423C90.6Very high89Confident0 Ų073.7 Ų73.70%036%0.36CS..Hα-helixtrans-56.8-42.5172.9179.40000112C414 L418 C419 K425 K426 A427 H437C414-C423 PolarHBondContact SG-SG 3.31Å; L418-C423 HydrophobicContact CB-CB 4.15Å; C419-C423 WeakPolarHBondContact O-CB 3.33Å; C419-C423 PolarHBondContact O-N 3.15Å; C423-K425 PolarHBondContact O-N 3.29Å; C423-K426 PolarHBondContact O-N 3.05Å; C423-A427 WeakPolarHBondContact O-CB 3.47Å; C423-A427 PolarHBondContact O-N 2.93Å; C423-H437 WeakPolarHBondContact CB-ND1 3.35Å; C423-H437 PolarHBondContact SG-ND1 3.14Å
424K90.2Very high89.3Confident126 Ų12665.2 Ų65.255%0.54832%0.323SS..Hα-helixtrans-62-42.9177.9-171.6-176.6177.5-1720111.8R420 A421 C422 F428 L439 F441R420-K424 WeakPolarHBondContact O-CB 3.26Å; R420-K424 PolarHBondContact O-N 2.85Å; A421-K424 PolarHBondContact O-N 3.2Å; C422-K424 VanDerWaalsContact C-N 3.32Å; C422-K424 PolarHBondContact O-N 2.97Å; K424-F428 VanDerWaalsContact O-CB 3.29Å; K424-F428 WeakPolarHBondContact O-CB 3.48Å; K424-F428 PolarHBondContact O-N 2.82Å; K424-F428 VanDerWaalsContact O-N 3.08Å; K424-L439 HydrophobicContact CB-CD1 4.16Å; K424-L439 HydrophobicContact CB-CD2 4.44Å; K424-L439 HydrophobicContact CG-CD2 4.15Å; K424-F441 HydrophobicContact CG-CE2 4.36Å; K424-F441 HydrophobicContact CG-CZ 4.17Å
425K90.6Very high89.3Confident166 Ų16670 Ų7072%0.72235%0.354SS*.Hα-helixtrans-64-47177.4-66.6-174.8177.9-172.40111.8A421 C422 C423 K429A421-K425 PolarHBondContact O-N 2.88Å; C422-K425 PolarHBondContact O-N 3.06Å; C423-K425 PolarHBondContact O-N 3.29Å; K425-K429 PolarHBondContact O-N 3.42Å
426K89.9Confident89.2Confident73 Ų7368.4 Ų68.432%0.31735%0.346SS..Hα-helixtrans-66.8-48.4179.6-168.6170.7-179.3-177.90112.1F416 L418 C422 C423 F428 K429 E430F416-K426 HydrophobicContact CB-CD 4.15Å; F416-K426 HydrophobicContact CD1-CD 3.69Å; F416-K426 HydrophobicContact CD1-CG 4.08Å; F416-K426 HydrophobicContact CE1-CD 4.34Å; F416-K426 HydrophobicContact CE1-CG 4.33Å; F416-K426 HydrophobicContact CG-CD 3.94Å; F416-K426 HydrophobicContact CG-CG 4.25Å; L418-K426 HydrophobicContact CD1-CB 4.04Å; L418-K426 HydrophobicContact CD1-CD 3.86Å; C422-K426 PolarHBondContact O-N 3.42Å; C423-K426 PolarHBondContact O-N 3.05Å; K426-F428 VanDerWaalsContact C-N 3.28Å; K426-F428 PolarHBondContact O-N 3.38Å; K426-K429 PolarHBondContact O-N 2.98Å; K426-K429 VanDerWaalsContact O-N 3.13Å; K426-E430 WeakPolarHBondContact CE-OE1 3.5Å; K426-E430 WeakPolarHBondContact CE-OE2 3.49Å; K426-E430 WeakPolarHBondContact CG-OE1 3.27Å; K426-E430 IonicContact NZ-OE1 2.99Å; K426-E430 WeakPolarHBondContact O-CB 3.39Å; K426-E430 PolarHBondContact O-N 3.48Å
427A89.2Confident89.2Confident0 Ų067.7 Ų67.70%034%0.343CS..Hα-helixtrans-59.7-34.417800000113.6F416 C423 V431 A432 L439 F441F416-A427 HydrophobicContact CD2-CB 4.31Å; F416-A427 HydrophobicContact CE2-CB 3.65Å; C423-A427 WeakPolarHBondContact O-CB 3.47Å; C423-A427 PolarHBondContact O-N 2.93Å; A427-V431 PolarHBondContact O-N 2.97Å; A427-V431 VanDerWaalsContact O-N 3.17Å; A427-A432 WeakPolarHBondContact CB-O 3.31Å; A427-A432 PolarHBondContact O-N 3.42Å; A427-L439 HydrophobicContact CB-CD1 3.88Å; A427-F441 HydrophobicContact CB-CD2 3.83Å; A427-F441 HydrophobicContact CB-CE2 4.02Å
428F89.7Confident89Confident142 Ų14268.1 Ų68.162%0.62336%0.355SS*.Hα-helixtrans-69.8-45.9173.9-179.3-103.5000111.7K424 K426 E430 V431 F441K424-F428 VanDerWaalsContact O-CB 3.29Å; K424-F428 WeakPolarHBondContact O-CB 3.48Å; K424-F428 PolarHBondContact O-N 2.82Å; K424-F428 VanDerWaalsContact O-N 3.08Å; K426-F428 VanDerWaalsContact C-N 3.28Å; K426-F428 PolarHBondContact O-N 3.38Å; F428-E430 PolarHBondContact O-N 3.41Å; F428-V431 PolarHBondContact O-N 3.46Å; F428-F441 HydrophobicContact CB-CD2 4.46Å; F428-F441 HydrophobicContact CB-CE1 4.44Å; F428-F441 HydrophobicContact CB-CE2 4.14Å; F428-F441 HydrophobicContact CB-CZ 4.14Å; F428-F441 AromaticContact CD2-CD1 3.92Å; F428-F441 HydrophobicContact CD2-CD1 3.92Å; F428-F441 AromaticContact CD2-CE1 3.73Å; F428-F441 HydrophobicContact CD2-CE1 3.73Å; F428-F441 HydrophobicContact CD2-CZ 4.22Å
429K90.9Very high89.1Confident182 Ų18268.6 Ų68.679%0.79136%0.358SS*.Hα-helixtrans-65.7-36.3179.3-171.8178.5179.9-176.50112.9K425 K426K425-K429 PolarHBondContact O-N 3.42Å; K426-K429 PolarHBondContact O-N 2.98Å; K426-K429 VanDerWaalsContact O-N 3.13Å
430E90Very high89.1Confident100 Ų10076.6 Ų76.647%0.46739%0.387SS..THydrogen-bonded Turntrans-93.67-178.7-69.5169.1-161.300112.9F416 K426 F428 A432F416-E430 WeakPolarHBondContact CE1-OE2 3.29Å; K426-E430 WeakPolarHBondContact CE-OE1 3.5Å; K426-E430 WeakPolarHBondContact CE-OE2 3.49Å; K426-E430 WeakPolarHBondContact CG-OE1 3.27Å; K426-E430 IonicContact NZ-OE1 2.99Å; K426-E430 WeakPolarHBondContact O-CB 3.39Å; K426-E430 PolarHBondContact O-N 3.48Å; F428-E430 PolarHBondContact O-N 3.41Å; E430-A432 VanDerWaalsContact C-N 3.3Å; E430-A432 HydrophobicContact CB-CB 4.22Å; E430-A432 PolarHBondContact O-N 3.42Å
431V89Confident89.1Confident76 Ų7671.2 Ų71.246%0.46137%0.368SS..THydrogen-bonded Turntrans43.456-178.3-166.20000111.4A427 F428 K442 A445A427-V431 PolarHBondContact O-N 2.97Å; A427-V431 VanDerWaalsContact O-N 3.17Å; F428-V431 PolarHBondContact O-N 3.46Å; V431-K442 WeakPolarHBondContact O-CB 3.38Å; V431-A445 HydrophobicContact CG1-CB 3.83Å
432A90.3Very high89.2Confident20 Ų2073 Ų7317%0.16536%0.363CS..  trans-133.3153.9-164.600000112.5F416 A427 E430F416-A432 HydrophobicContact CE2-CB 4.33Å; F416-A432 HydrophobicContact CZ-CB 3.66Å; A427-A432 WeakPolarHBondContact CB-O 3.31Å; A427-A432 PolarHBondContact O-N 3.42Å; E430-A432 VanDerWaalsContact C-N 3.3Å; E430-A432 HydrophobicContact CB-CB 4.22Å; E430-A432 PolarHBondContact O-N 3.42Å
433D90.8Very high89.1Confident39 Ų3975.5 Ų75.521%0.20938%0.379CS..EExtended strand (participates in β ladder)trans-101.2141.6-174.2-71.5-1.9000111.8V415 L439 R440 F441 K442 T443V415-D433 WeakPolarHBondContact CG2-O 3.48Å; D433-L439 WeakPolarHBondContact CA-O 3.43Å; D433-R440 WeakPolarHBondContact OD1-CA 3.49Å; D433-F441 PolarHBondContact OD1-N 3.06Å; D433-K442 WeakPolarHBondContact OD1-CA 3.22Å; D433-K442 WeakPolarHBondContact OD1-CB 3.11Å; D433-K442 PolarHBondContact OD1-N 2.88Å; D433-T443 WeakPolarHBondContact OD2-CB 3.38Å; D433-T443 PolarHBondContact OD2-N 3.37Å; D433-T443 PolarHBondContact OD2-OG1 3.41Å
434C89.9Confident88.9Confident0 Ų082.7 Ų82.70%041%0.41CS..EExtended strand (participates in β ladder)trans-130.791.6175.5-179.80000109.5V415 S436 H437 G438 L439V415-C434 HydrophobicContact CG2-CB 3.91Å; C434-S436 VanDerWaalsContact C-N 3.26Å; C434-S436 PolarHBondContact O-N 3.34Å; C434-H437 PolarHBondContact O-N 3.08Å; C434-G438 PolarHBondContact O-N 3.49Å; C434-G438 VanDerWaalsContact O-N 3.11Å; C434-L439 HydrophobicContact CB-CB 4.14Å; C434-L439 HydrophobicContact CB-CD1 4.19Å; C434-L439 HydrophobicContact CB-CG 4.47Å; C434-L439 PolarHBondContact N-O 3.1Å; C434-L439 PolarHBondContact O-N 2.81Å; C434-L439 VanDerWaalsContact O-N 3.13Å
435P85.6Confident88.7Confident111 Ų11178.8 Ų78.872%0.72140%0.401SS*.G310 helixtrans-52.5-42.6179.5-29.136000113H437 G438P435-H437 PolarHBondContact O-N 2.85Å; P435-G438 PolarHBondContact O-N 3.39Å; P435-G438 VanDerWaalsContact O-N 3.08Å
436S85.1Confident88.7Confident50 Ų5075.9 Ų75.935%0.3539%0.39SS..G310 helixtrans-62.3-11.8178.3-179.10000115.4K413 C434K413-S436 WeakPolarHBondContact O-CB 3.46Å; C434-S436 VanDerWaalsContact C-N 3.26Å; C434-S436 PolarHBondContact O-N 3.34Å
437H86.2Confident88.5Confident22 Ų2278.7 Ų78.710%0.10240%0.402CS..G310 helixtrans-123.44.7176.1-69.8142.7000113.1C414 L418 R420 C423 C434 P435 L439C414-H437 VanDerWaalsContact SG-CE1 3.53Å; L418-H437 PolarHBondContact O-CE1 3.32Å; R420-H437 HydrophobicContact CG-CB 4.2Å; R420-H437 PolarHBondContact NH2-O 3.4Å; C423-H437 WeakPolarHBondContact CB-ND1 3.35Å; C423-H437 PolarHBondContact SG-ND1 3.14Å; C434-H437 PolarHBondContact O-N 3.08Å; P435-H437 PolarHBondContact O-N 2.85Å; H437-L439 VanDerWaalsContact C-N 3.31Å; H437-L439 HydrophobicContact CB-CD1 4.17Å; H437-L439 HydrophobicContact CB-CG 4.04Å; H437-L439 PolarHBondContact O-N 2.76Å
438G85.8Confident88.4Confident59 Ų5984 Ų8461%0.60843%0.428SS*.THydrogen-bonded Turntrans6530-176.600000113.9C434 P435C434-G438 PolarHBondContact O-N 3.49Å; C434-G438 VanDerWaalsContact O-N 3.11Å; P435-G438 PolarHBondContact O-N 3.39Å; P435-G438 VanDerWaalsContact O-N 3.08Å
439L90.5Very high88.1Confident17 Ų1783.4 Ų83.49%0.08943%0.425CS..EExtended strand (participates in β ladder)trans-94.8127.8179.3-56.7176.1000109.8K424 A427 D433 C434 H437 F441K424-L439 HydrophobicContact CB-CD1 4.16Å; K424-L439 HydrophobicContact CB-CD2 4.44Å; K424-L439 HydrophobicContact CG-CD2 4.15Å; A427-L439 HydrophobicContact CB-CD1 3.88Å; D433-L439 WeakPolarHBondContact CA-O 3.43Å; C434-L439 HydrophobicContact CB-CB 4.14Å; C434-L439 HydrophobicContact CB-CD1 4.19Å; C434-L439 HydrophobicContact CB-CG 4.47Å; C434-L439 PolarHBondContact N-O 3.1Å; C434-L439 PolarHBondContact O-N 2.81Å; C434-L439 VanDerWaalsContact O-N 3.13Å; H437-L439 VanDerWaalsContact C-N 3.31Å; H437-L439 HydrophobicContact CB-CD1 4.17Å; H437-L439 HydrophobicContact CB-CG 4.04Å; H437-L439 PolarHBondContact O-N 2.76Å; L439-F441 HydrophobicContact CB-CD2 4.25Å; L439-F441 HydrophobicContact CB-CE2 4.1Å; L439-F441 HydrophobicContact CD1-CE2 4.29Å; L439-F441 HydrophobicContact CD2-CE2 4.06Å; L439-F441 HydrophobicContact CD2-CZ 4.43Å; L439-F441 HydrophobicContact CG-CE2 4.38Å
440R89.4Confident87.7Confident177 Ų17777.3 Ų77.367%0.66841%0.408SS*.EExtended strand (participates in β ladder)trans-132.768.4-179-67.8-173.9-177.1173.6-0.3110.1D433 K444D433-R440 WeakPolarHBondContact OD1-CA 3.49Å; R440-K444 WeakPolarHBondContact O-CB 3.4Å; R440-K444 WeakPolarHBondContact O-CD 3.28Å; R440-K444 WeakPolarHBondContact O-CG 3.26Å
441F90.1Very high87.4Confident51 Ų5176.7 Ų76.722%0.22441%0.405CS..SBendtrans-85.9-42177.4-65.4-66.3000111.9K424 A427 F428 D433 L439 K444 A445K424-F441 HydrophobicContact CG-CE2 4.36Å; K424-F441 HydrophobicContact CG-CZ 4.17Å; A427-F441 HydrophobicContact CB-CD2 3.83Å; A427-F441 HydrophobicContact CB-CE2 4.02Å; F428-F441 HydrophobicContact CB-CD2 4.46Å; F428-F441 HydrophobicContact CB-CE1 4.44Å; F428-F441 HydrophobicContact CB-CE2 4.14Å; F428-F441 HydrophobicContact CB-CZ 4.14Å; F428-F441 AromaticContact CD2-CD1 3.92Å; F428-F441 HydrophobicContact CD2-CD1 3.92Å; F428-F441 AromaticContact CD2-CE1 3.73Å; F428-F441 HydrophobicContact CD2-CE1 3.73Å; F428-F441 HydrophobicContact CD2-CZ 4.22Å; D433-F441 PolarHBondContact OD1-N 3.06Å; L439-F441 HydrophobicContact CB-CD2 4.25Å; L439-F441 HydrophobicContact CB-CE2 4.1Å; L439-F441 HydrophobicContact CD1-CE2 4.29Å; L439-F441 HydrophobicContact CD2-CE2 4.06Å; L439-F441 HydrophobicContact CD2-CZ 4.43Å; L439-F441 HydrophobicContact CG-CE2 4.38Å; F441-K444 PolarHBondContact O-N 2.94Å; F441-A445 PolarHBondContact O-N 2.75Å
442K89.5Confident87Confident103 Ų10377.2 Ų77.245%0.44840%0.402SS..Hα-helixtrans-62.7-57.5174.8-166.6179.4160.5174.40111.2V431 D433 K444 A445 E446V431-K442 WeakPolarHBondContact O-CB 3.38Å; D433-K442 WeakPolarHBondContact OD1-CA 3.22Å; D433-K442 WeakPolarHBondContact OD1-CB 3.11Å; D433-K442 PolarHBondContact OD1-N 2.88Å; K442-K444 PolarHBondContact O-N 3.13Å; K442-A445 PolarHBondContact O-N 2.98Å; K442-E446 VanDerWaalsContact CE-CD 3.41Å; K442-E446 WeakPolarHBondContact CE-OE1 3.41Å; K442-E446 HydrophobicContact CG-CG 4.38Å; K442-E446 IonicContact NZ-OE1 2.67Å; K442-E446 WeakPolarHBondContact O-CG 3.33Å; K442-E446 PolarHBondContact O-N 2.93Å
443T87.6Confident86.6Confident72 Ų7279.6 Ų79.644%0.44241%0.413SS..Hα-helixtrans-54.9-33.4179.6-58.10000112.1D433 K447D433-T443 WeakPolarHBondContact OD2-CB 3.38Å; D433-T443 PolarHBondContact OD2-N 3.37Å; D433-T443 PolarHBondContact OD2-OG1 3.41Å; T443-K447 WeakPolarHBondContact O-CB 3.47Å; T443-K447 PolarHBondContact O-N 3.2Å; T443-K447 VanDerWaalsContact O-N 3.15Å
444K87.4Confident85.9Confident150 Ų15084 Ų8465%0.65243%0.432SS*.Hα-helixtrans-74.1-44.4177-82-172.2172-153.20113R440 F441 K442 E446 K447 Q448R440-K444 WeakPolarHBondContact O-CB 3.4Å; R440-K444 WeakPolarHBondContact O-CD 3.28Å; R440-K444 WeakPolarHBondContact O-CG 3.26Å; F441-K444 PolarHBondContact O-N 2.94Å; K442-K444 PolarHBondContact O-N 3.13Å; K444-E446 VanDerWaalsContact C-N 3.33Å; K444-K447 PolarHBondContact O-N 3.11Å; K444-Q448 WeakPolarHBondContact O-CB 3.34Å; K444-Q448 PolarHBondContact O-N 3.32Å
445A86.2Confident85.2Confident45 Ų4590 Ų9037%0.37246%0.46SS..Hα-helixtrans-63.8-39.8176.900000111.7V431 F441 K442 K449V431-A445 HydrophobicContact CG1-CB 3.83Å; F441-A445 PolarHBondContact O-N 2.75Å; K442-A445 PolarHBondContact O-N 2.98Å; A445-K449 WeakPolarHBondContact O-CB 3.28Å; A445-K449 PolarHBondContact O-N 3.35Å
446E88.8Confident84.6Confident104 Ų10489.5 Ų89.549%0.48645%0.446SS..Hα-helixtrans-64.4-42.5175.4-70.1173146.600112K442 K444 K449 A450K442-E446 VanDerWaalsContact CE-CD 3.41Å; K442-E446 WeakPolarHBondContact CE-OE1 3.41Å; K442-E446 HydrophobicContact CG-CG 4.38Å; K442-E446 IonicContact NZ-OE1 2.67Å; K442-E446 WeakPolarHBondContact O-CG 3.33Å; K442-E446 PolarHBondContact O-N 2.93Å; K444-E446 VanDerWaalsContact C-N 3.33Å; E446-K449 PolarHBondContact O-N 2.76Å; E446-A450 PolarHBondContact O-N 3.06Å
447K87.3Confident83.9Confident132 Ų13293.9 Ų93.957%0.57446%0.461SS*.Hα-helixtrans-64.3-46.3175.9-172.2172.6-168-840112.2T443 K444 K449 A450 E451T443-K447 WeakPolarHBondContact O-CB 3.47Å; T443-K447 PolarHBondContact O-N 3.2Å; T443-K447 VanDerWaalsContact O-N 3.15Å; K444-K447 PolarHBondContact O-N 3.11Å; K447-K449 VanDerWaalsContact C-N 3.31Å; K447-K449 PolarHBondContact O-N 3.48Å; K447-A450 PolarHBondContact O-N 3.36Å; K447-E451 IonicContact NZ-OE1 3.76Å; K447-E451 PolarHBondContact NZ-OE1 2.9Å; K447-E451 WeakPolarHBondContact O-CG 3.48Å; K447-E451 PolarHBondContact O-N 2.78Å
448Q85.5Confident82.8Confident113 Ų11396.5 Ų96.553%0.52848%0.481SS..Hα-helixtrans-62.3-40.2178.6-175179.1-20.200111.4K444 E451 E452K444-Q448 WeakPolarHBondContact O-CB 3.34Å; K444-Q448 PolarHBondContact O-N 3.32Å; Q448-E451 PolarHBondContact O-N 2.89Å; Q448-E452 PolarHBondContact NE2-OE1 3.26Å; Q448-E452 VanDerWaalsContact NE2-OE1 3.12Å; Q448-E452 WeakPolarHBondContact O-CG 3.44Å; Q448-E452 PolarHBondContact O-N 3.25Å
449K84.8Confident81.8Confident129 Ų12999.6 Ų99.656%0.56148%0.48SS*.Hα-helixtrans-64.8-39.9175.4-169.4179177.7-172.40112.4A445 E446 K447 E451 E452 D453A445-K449 WeakPolarHBondContact O-CB 3.28Å; A445-K449 PolarHBondContact O-N 3.35Å; E446-K449 PolarHBondContact O-N 2.76Å; K447-K449 VanDerWaalsContact C-N 3.31Å; K447-K449 PolarHBondContact O-N 3.48Å; K449-E451 VanDerWaalsContact C-N 3.32Å; K449-E451 PolarHBondContact O-N 3.05Å; K449-E452 PolarHBondContact O-N 3.06Å; K449-D453 WeakPolarHBondContact O-CB 3.43Å; K449-D453 VanDerWaalsContact O-CG 3.3Å; K449-D453 PolarHBondContact O-N 3.11Å
450A81.9Confident80.5Confident53 Ų53108.6 Ų108.644%0.43851%0.513SS..Hα-helixtrans-64.6-35.6174.900000112.6E446 K447 Q454E446-A450 PolarHBondContact O-N 3.06Å; K447-A450 PolarHBondContact O-N 3.36Å; A450-Q454 WeakPolarHBondContact O-CB 3.18Å; A450-Q454 WeakPolarHBondContact O-CG 3.18Å; A450-Q454 PolarHBondContact O-N 3.41Å
451E83.1Confident79Confident88 Ų88104.2 Ų104.241%0.41151%0.506SS..Hα-helixtrans-66.1-44.6172.9-70.5164.3170.400111.2K447 Q448 K449 Q454 Q455K447-E451 IonicContact NZ-OE1 3.76Å; K447-E451 PolarHBondContact NZ-OE1 2.9Å; K447-E451 WeakPolarHBondContact O-CG 3.48Å; K447-E451 PolarHBondContact O-N 2.78Å; Q448-E451 PolarHBondContact O-N 2.89Å; K449-E451 VanDerWaalsContact C-N 3.32Å; K449-E451 PolarHBondContact O-N 3.05Å; E451-Q454 PolarHBondContact O-N 3.11Å; E451-Q455 PolarHBondContact O-N 3.45Å
452E80.8Confident77.4Confident86 Ų86108.5 Ų108.540%0.40253%0.526SS..Hα-helixtrans-65.9-34.7175.9-72.7173.1-158.800113.6Q448 K449 K456Q448-E452 PolarHBondContact NE2-OE1 3.26Å; Q448-E452 VanDerWaalsContact NE2-OE1 3.12Å; Q448-E452 WeakPolarHBondContact O-CG 3.44Å; Q448-E452 PolarHBondContact O-N 3.25Å; K449-E452 PolarHBondContact O-N 3.06Å; E452-K456 WeakPolarHBondContact O-CG 3.28Å; E452-K456 PolarHBondContact O-N 2.94Å
453D81.4Confident75.5Confident71 Ų71105.5 Ų105.538%0.3852%0.524SS..Hα-helixtrans-76.2-36.5178.7-70.8-21.8000111.2K449 K456 E457K449-D453 WeakPolarHBondContact O-CB 3.43Å; K449-D453 VanDerWaalsContact O-CG 3.3Å; K449-D453 PolarHBondContact O-N 3.11Å; D453-K456 PolarHBondContact O-N 3.32Å; D453-K456 IonicContact OD1-NZ 3.96Å; D453-K456 PolarHBondContact OD1-NZ 3.02Å; D453-E457 PolarHBondContact O-N 2.98Å; D453-E457 VanDerWaalsContact O-N 3.1Å
454Q76.9Confident73.7Confident130 Ų130105 Ų10561%0.60752%0.524SS*.Hα-helixtrans-62-40169.7-79.7-178.6-10.300112.5A450 E451 K456 E457 C458A450-Q454 WeakPolarHBondContact O-CB 3.18Å; A450-Q454 WeakPolarHBondContact O-CG 3.18Å; A450-Q454 PolarHBondContact O-N 3.41Å; E451-Q454 PolarHBondContact O-N 3.11Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.38Å; Q454-E457 PolarHBondContact O-N 3.09Å; Q454-C458 PolarHBondContact O-N 2.83Å; Q454-C458 VanDerWaalsContact O-N 3.09Å
455Q74.4Confident72Confident128 Ų128101.7 Ų101.760%0.59852%0.516SS*.Hα-helixtrans-66.3-37.7-179.9-164.8155.82.800111.8E451 C458 E459E451-Q455 PolarHBondContact O-N 3.45Å; Q455-C458 PolarHBondContact O-N 2.97Å; Q455-E459 WeakPolarHBondContact O-CG 3.49Å; Q455-E459 PolarHBondContact O-N 3.46Å; Q455-E459 VanDerWaalsContact O-N 3.15Å
456K73.7Confident70.1Confident100 Ų100104.4 Ų104.444%0.43553%0.528SS..Hα-helixtrans-69.4-27.8172.7-68.6166.2-164.7139.60113.8E452 D453 Q454 R460E452-K456 WeakPolarHBondContact O-CG 3.28Å; E452-K456 PolarHBondContact O-N 2.94Å; D453-K456 PolarHBondContact O-N 3.32Å; D453-K456 IonicContact OD1-NZ 3.96Å; D453-K456 PolarHBondContact OD1-NZ 3.02Å; Q454-K456 VanDerWaalsContact C-N 3.34Å; Q454-K456 PolarHBondContact O-N 3.38Å; K456-R460 WeakPolarHBondContact O-CG 3.47Å; K456-R460 PolarHBondContact O-N 3.46Å
457E71.3Confident68.1Low141 Ų141107.3 Ų107.366%0.65954%0.542SS*.Hα-helixtrans-68.4-45.7170.7-81-170.3141.700111.2D453 Q454 E459 R460 T461D453-E457 PolarHBondContact O-N 2.98Å; D453-E457 VanDerWaalsContact O-N 3.1Å; Q454-E457 PolarHBondContact O-N 3.09Å; E457-E459 PolarHBondContact O-N 3.24Å; E457-R460 WeakPolarHBondContact O-CB 3.11Å; E457-R460 PolarHBondContact O-N 3.41Å; E457-R460 VanDerWaalsContact O-N 3.13Å; E457-T461 PolarHBondContact O-N 2.87Å; E457-T461 PolarHBondContact O-OG1 3.5Å; E457-T461 VanDerWaalsContact O-OG1 3.04Å
458C62.9Low66.1Low77 Ų77111.1 Ų111.152%0.5255%0.553SS.*Hα-helixtrans-55.8-49.5175.1-80.80000112.3Q454 Q455 R460 T461 E462Q454-C458 PolarHBondContact O-N 2.83Å; Q454-C458 VanDerWaalsContact O-N 3.09Å; Q455-C458 PolarHBondContact O-N 2.97Å; C458-R460 PolarHBondContact O-N 2.73Å; C458-T461 WeakPolarHBondContact CA-OG1 3.38Å; C458-T461 PolarHBondContact O-N 3.24Å; C458-T461 VanDerWaalsContact O-N 3.1Å; C458-T461 PolarHBondContact O-OG1 3.29Å; C458-E462 PolarHBondContact O-N 3.48Å
459E64.1Low64.2Low124 Ų124112 Ų11258%0.57956%0.561SS**Hα-helixtrans-59.6-33.6178.2-71.1173.5175.800112.4Q455 E457 G463Q455-E459 WeakPolarHBondContact O-CG 3.49Å; Q455-E459 PolarHBondContact O-N 3.46Å; Q455-E459 VanDerWaalsContact O-N 3.15Å; E457-E459 PolarHBondContact O-N 3.24Å; E459-G463 PolarHBondContact O-N 3.03Å; E459-G463 VanDerWaalsContact O-N 3.15Å
460R63.6Low62.1Low207 Ų207116.9 Ų116.978%0.78158%0.576SS**Hα-helixtrans-71.9-38.3174.2-80.2178.2168.5-168.3-3.3113.2K456 E457 C458 S464K456-R460 WeakPolarHBondContact O-CG 3.47Å; K456-R460 PolarHBondContact O-N 3.46Å; E457-R460 WeakPolarHBondContact O-CB 3.11Å; E457-R460 PolarHBondContact O-N 3.41Å; E457-R460 VanDerWaalsContact O-N 3.13Å; C458-R460 PolarHBondContact O-N 2.73Å; R460-S464 PolarHBondContact O-N 3.32Å
461T58.1Low60.3Low85 Ų85121.4 Ų121.452%0.52159%0.593SS.*Hα-helixtrans-65.3-44.317420.40000111.9E457 C458 G463 S464 V465E457-T461 PolarHBondContact O-N 2.87Å; E457-T461 PolarHBondContact O-OG1 3.5Å; E457-T461 VanDerWaalsContact O-OG1 3.04Å; C458-T461 WeakPolarHBondContact CA-OG1 3.38Å; C458-T461 PolarHBondContact O-N 3.24Å; C458-T461 VanDerWaalsContact O-N 3.1Å; C458-T461 PolarHBondContact O-OG1 3.29Å; T461-G463 PolarHBondContact O-N 3.42Å; T461-S464 PolarHBondContact O-N 3.2Å; T461-S464 VanDerWaalsContact O-N 3.11Å; T461-S464 PolarHBondContact O-OG 2.83Å; T461-V465 PolarHBondContact O-N 2.86Å
462E55.4Low58.5Low140 Ų140126.2 Ų126.265%0.65461%0.612SS**Hα-helixtrans-62.8-41.2178.8-70.6-175.516600112.2C458 S464 V465C458-E462 PolarHBondContact O-N 3.48Å; E462-S464 VanDerWaalsContact C-N 3.27Å; E462-S464 PolarHBondContact O-N 2.66Å; E462-V465 PolarHBondContact O-N 2.79Å
463G51.1Low56.4Low40 Ų40131.2 Ų131.241%0.41264%0.635SS.*Hα-helixtrans-57.3-37.7172.800000113.4E459 T461 V465 T466E459-G463 PolarHBondContact O-N 3.03Å; E459-G463 VanDerWaalsContact O-N 3.15Å; T461-G463 PolarHBondContact O-N 3.42Å; G463-V465 PolarHBondContact O-N 3.47Å; G463-T466 PolarHBondContact O-OG1 3.37Å
464S49.6Very low54.1Low61 Ų61134.3 Ų134.343%0.42766%0.657SS.*Hα-helixtrans-74.2-19.1-178.377.60000115.2R460 T461 E462R460-S464 PolarHBondContact O-N 3.32Å; T461-S464 PolarHBondContact O-N 3.2Å; T461-S464 VanDerWaalsContact O-N 3.11Å; T461-S464 PolarHBondContact O-OG 2.83Å; E462-S464 VanDerWaalsContact C-N 3.27Å; E462-S464 PolarHBondContact O-N 2.66Å
465V50.3Low53.2Low81 Ų81133.2 Ų133.249%0.49166%0.661SS.*Hα-helixtrans-77.4-40.6177.81760000110.5T461 E462 G463 E467 R468T461-V465 PolarHBondContact O-N 2.86Å; E462-V465 PolarHBondContact O-N 2.79Å; G463-V465 PolarHBondContact O-N 3.47Å; V465-E467 VanDerWaalsContact C-N 3.28Å; V465-E467 PolarHBondContact O-N 2.93Å; V465-R468 PolarHBondContact O-N 3.28Å; V465-R468 VanDerWaalsContact O-N 3.09Å
466T46.9Very low51.1Low102 Ų102135.9 Ų135.963%0.62667%0.674SS**Hα-helixtrans-66.2-21-175.361.20000115.3G463G463-T466 PolarHBondContact O-OG1 3.37Å
467E45.9Very low49.3Very low166 Ų166137.7 Ų137.778%0.77669%0.693SS**THydrogen-bonded Turntrans-82.9-22.9173.2-77-167.2139.800113.9V465V465-E467 VanDerWaalsContact C-N 3.28Å; V465-E467 PolarHBondContact O-N 2.93Å
468R46.7Very low47.4Very low212 Ų212135.4 Ų135.480%0.870%0.698SS**THydrogen-bonded Turntrans-83.5-30.1-175.6-71.1-172.2179.2-169.31.2113.8V465 R470V465-R468 PolarHBondContact O-N 3.28Å; V465-R468 VanDerWaalsContact O-N 3.09Å; R468-R470 VanDerWaalsContact C-N 3.34Å; R468-R470 PolarHBondContact O-N 3.38Å
469D44.2Very low45.9Very low131 Ų131136.1 Ų136.170%0.70171%0.709SS**G310 helixtrans-82-6.1-177.5-74.6-35.2000114.7N471D469-N471 VanDerWaalsContact C-N 3.31Å; D469-N471 PolarHBondContact O-N 3.06Å
470R42.2Very low44.4Very low231 Ų231135.2 Ų135.287%0.87272%0.724SS**G310 helixtrans-77.1-8.5176.5-83.1-171.6172-171-1115.4R468R468-R470 VanDerWaalsContact C-N 3.34Å; R468-R470 PolarHBondContact O-N 3.38Å
471N44.4Very low42.8Very low148 Ų148131 Ų13179%0.79173%0.726SS**G310 helixtrans-116.121.2-166.7-147.815.2000115.8D469D469-N471 VanDerWaalsContact C-N 3.31Å; D469-N471 PolarHBondContact O-N 3.06Å
472K45Very low41.4Very low190 Ų190132.3 Ų132.383%0.82674%0.737SS**  trans-14896.5169.3-72.7-170.9179.4177.20112.8
473Q36.8Very low40.3Very low190 Ų190136.3 Ų136.389%0.88875%0.746SS**  164.9132.3126.3-91.4171.610.500112.7
474T32.3Very low39.3Very low137 Ų137141.4 Ų141.484%0.8476%0.759SS**  trans178.1159.8158.717.80000107.1
475P57.6Low38.3Very low106 Ų106146 Ų14669%0.68878%0.776SS**  cis-137.2168.4-46.635.5-18.7000113.9
476Q31.3Very low37.5Very low184 Ų184147.6 Ų147.686%0.8679%0.786SS**  trans-178.3122.4144.8-99.4158.116.700108.1
477V35.4Very low36.9Very low138 Ų138150 Ų15084%0.83679%0.79SS**  65.7125.868.2178.70000110.5
478A32.4Very low36.2Very low93 Ų93149 Ų14977%0.76979%0.786SS**  cis-163.6179.84.700000108.5
479A31.1Very low35.5Very low92 Ų92144.4 Ų144.476%0.7678%0.781SS**  cis-171.8176.4-15.300000109.8
480A31.1Very low35.1Very low106 Ų106146.9 Ų146.988%0.87679%0.788SS**  trans69.4152.8174.500000116.7
481S31.6Very low34.8Very low118 Ų118144 Ų14483%0.82581%0.814SS**  cis-143.2162.315.7177.50000113.1
482C28.6Very low34.3Very low113 Ų113143.8 Ų143.876%0.76482%0.815SS**  trans-76.7-180170.4-60.50000114
483R31.3Very low33.7Very low223 Ų223141.4 Ų141.484%0.84281%0.814SS**  trans89.2145.3165.5-71.2-170.3174.2161.51.1117.4
484E30.9Very low33.6Very low148 Ų148138.7 Ų138.769%0.69281%0.81SS**  cis-171.2172.2-19-153155.3-160.100108.8
485M29.2Very low33.6Very low158 Ų158138.8 Ų138.878%0.77881%0.809SS**  trans71.8104.4160.6-59.4-162.9-58.900122.2
486T32.8Very low32.1Very low114 Ų114140.8 Ų140.870%0.69982%0.816SS**  25.1128.511450.40000122.7
487E33.3Very low32.2Very low153 Ų153137.9 Ų137.972%0.71581%0.813SS**  81.1131.4125.7-73.6-164.6108.500124.7
488Q31.9Very low32Very low145 Ų145137.9 Ų137.968%0.67881%0.812SS**  trans80.3132.6137.9-73.7175.132.100122.3
489T32.3Very low31.9Very low114 Ų114141.4 Ų141.470%0.69982%0.815SS**  trans61.5145.2149.447.50000117.9
490E35.1Very low32Very low184 Ų184145.5 Ų145.586%0.8682%0.819SS**  cis-153.7166.85.2-109155-168.300105.2
491A36.1Very low32.1Very low170 Ų170149.1 Ų149.1100%1.40581%0.814SS**  cis-151.3018.200000110.8

Retrieved 491 of 491 residues in 186.1 ms (Link to these results)

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